USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 101 THR OG1 : rot -90:sc= 1.24 USER MOD Set 1.2: A 103 THR OG1 : rot -170:sc= -0.0464 USER MOD Set 2.1: A 100 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.7!) USER MOD Set 2.2: A 102 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 22 LYS NZ :NH3+ -147:sc= 0 (180deg=0) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -154:sc= -1.52 (180deg=-2.11!) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.744 X(o=-0.75,f=-0.29) USER MOD Set 4.2: A 69 MET CE :methyl 165:sc=-0.00504 (180deg=-0.303) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 2:sc= -0.553 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.16! K(o=-2.2!,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -179:sc= -1.07 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.314 USER MOD Single : A 39 ASN : amide:sc= -0.0468 X(o=-0.047,f=-0.098) USER MOD Single : A 42 ASN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 38:sc= 1.04 USER MOD Single : A 64 THR OG1 : rot 44:sc= 0.755 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 53:sc= 1 USER MOD Single : A 72 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.013) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= -0.838 (180deg=-2.02!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0405 X(o=-0.041,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -9:sc= 1.15 USER MOD Single : A 96 ASN : amide:sc= -0.509 K(o=-0.51,f=-1.2) USER MOD Single : A 104 TYR OH : rot 15:sc= -0.238 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= -0.259 (180deg=-0.429) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 12.378 -11.410 5.417 1.00 0.00 N ATOM 14 CA PHE A 2 11.663 -10.151 5.464 1.00 0.00 C ATOM 15 C PHE A 2 11.683 -9.666 6.948 1.00 0.00 C ATOM 16 O PHE A 2 11.728 -8.457 7.142 1.00 0.00 O ATOM 17 CB PHE A 2 10.198 -10.315 5.124 1.00 0.00 C ATOM 18 CG PHE A 2 9.875 -10.076 3.666 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.805 -9.970 2.667 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.540 -9.963 3.352 1.00 0.00 C ATOM 21 CE1 PHE A 2 10.318 -9.745 1.401 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.189 -9.738 2.035 1.00 0.00 C ATOM 23 CZ PHE A 2 8.981 -9.635 1.122 1.00 0.00 C ATOM 0 HA PHE A 2 12.135 -9.470 4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.883 -11.323 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.615 -9.624 5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.863 -10.058 2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.784 -10.048 4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 2 11.023 -9.650 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.138 -9.648 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.640 -9.461 0.112 1.00 0.00 H new ATOM 33 N ASP A 3 11.638 -10.692 7.814 1.00 0.00 N ATOM 34 CA ASP A 3 11.644 -10.407 9.215 1.00 0.00 C ATOM 35 C ASP A 3 12.411 -9.200 9.696 1.00 0.00 C ATOM 36 O ASP A 3 13.613 -9.285 9.979 1.00 0.00 O ATOM 37 CB ASP A 3 12.240 -11.648 9.951 1.00 0.00 C ATOM 38 CG ASP A 3 13.603 -12.022 9.422 1.00 0.00 C ATOM 39 OD1 ASP A 3 13.915 -11.722 8.276 1.00 0.00 O ATOM 40 OD2 ASP A 3 14.347 -12.628 10.184 1.00 0.00 O ATOM 0 H ASP A 3 11.599 -11.679 7.561 1.00 0.00 H new ATOM 0 HA ASP A 3 10.602 -10.178 9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.311 -11.436 11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.563 -12.495 9.839 1.00 0.00 H new ATOM 45 N GLY A 4 11.699 -8.063 9.791 1.00 0.00 N ATOM 46 CA GLY A 4 12.514 -6.943 10.271 1.00 0.00 C ATOM 47 C GLY A 4 11.729 -5.687 9.916 1.00 0.00 C ATOM 48 O GLY A 4 10.572 -5.882 9.527 1.00 0.00 O ATOM 0 H GLY A 4 10.714 -7.903 9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.680 -7.011 11.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.495 -6.940 9.796 1.00 0.00 H new ATOM 52 N THR A 5 12.319 -4.499 10.045 1.00 0.00 N ATOM 53 CA THR A 5 11.473 -3.373 9.678 1.00 0.00 C ATOM 54 C THR A 5 11.921 -2.987 8.259 1.00 0.00 C ATOM 55 O THR A 5 12.990 -3.503 7.867 1.00 0.00 O ATOM 56 CB THR A 5 11.912 -2.217 10.597 1.00 0.00 C ATOM 57 OG1 THR A 5 12.390 -2.633 11.823 1.00 0.00 O ATOM 58 CG2 THR A 5 10.816 -1.142 10.826 1.00 0.00 C ATOM 0 H THR A 5 13.268 -4.302 10.363 1.00 0.00 H new ATOM 0 HA THR A 5 10.406 -3.583 9.747 1.00 0.00 H new ATOM 0 HB THR A 5 12.730 -1.761 10.039 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.652 -1.852 12.354 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.202 -0.363 11.483 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.532 -0.703 9.870 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.943 -1.605 11.286 1.00 0.00 H new ATOM 66 N TRP A 6 11.117 -2.142 7.612 1.00 0.00 N ATOM 67 CA TRP A 6 11.305 -1.628 6.302 1.00 0.00 C ATOM 68 C TRP A 6 10.835 -0.150 6.208 1.00 0.00 C ATOM 69 O TRP A 6 9.827 0.156 6.788 1.00 0.00 O ATOM 70 CB TRP A 6 10.447 -2.262 5.188 1.00 0.00 C ATOM 71 CG TRP A 6 10.669 -3.680 4.883 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.422 -4.782 5.743 1.00 0.00 C ATOM 73 CD2 TRP A 6 11.175 -4.394 3.696 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.734 -5.896 5.152 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.218 -5.788 3.860 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.607 -3.959 2.483 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.638 -6.674 2.948 1.00 0.00 C ATOM 78 CZ3 TRP A 6 12.038 -4.863 1.530 1.00 0.00 C ATOM 79 CH2 TRP A 6 12.075 -6.222 1.711 1.00 0.00 C ATOM 0 H TRP A 6 10.262 -1.788 8.042 1.00 0.00 H new ATOM 0 HA TRP A 6 12.368 -1.819 6.152 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.399 -2.137 5.459 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.610 -1.692 4.273 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.030 -4.705 6.746 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.628 -6.799 5.614 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.614 -2.902 2.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.637 -7.730 3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 12.368 -4.473 0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 6 12.421 -6.896 0.941 1.00 0.00 H new ATOM 90 N LYS A 7 11.597 0.652 5.483 1.00 0.00 N ATOM 91 CA LYS A 7 11.383 2.034 5.198 1.00 0.00 C ATOM 92 C LYS A 7 11.270 2.999 6.400 1.00 0.00 C ATOM 93 O LYS A 7 11.306 2.530 7.517 1.00 0.00 O ATOM 94 CB LYS A 7 9.980 2.187 4.503 1.00 0.00 C ATOM 95 CG LYS A 7 10.120 1.332 3.302 1.00 0.00 C ATOM 96 CD LYS A 7 8.800 1.172 2.495 1.00 0.00 C ATOM 97 CE LYS A 7 7.530 1.139 3.308 1.00 0.00 C ATOM 98 NZ LYS A 7 6.307 0.971 2.521 1.00 0.00 N ATOM 0 H LYS A 7 12.453 0.308 5.047 1.00 0.00 H new ATOM 0 HA LYS A 7 12.266 2.301 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.169 1.850 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.768 3.224 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.885 1.756 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.472 0.346 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.731 1.994 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.861 0.251 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.597 0.325 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.455 2.065 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.484 0.959 3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.215 1.760 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.352 0.074 1.996 1.00 0.00 H new ATOM 112 N VAL A 8 11.108 4.205 5.868 1.00 0.00 N ATOM 113 CA VAL A 8 10.856 5.332 6.732 1.00 0.00 C ATOM 114 C VAL A 8 11.570 5.267 8.031 1.00 0.00 C ATOM 115 O VAL A 8 11.349 4.795 9.117 1.00 0.00 O ATOM 116 CB VAL A 8 9.308 5.198 6.896 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.774 4.981 8.289 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.607 6.471 6.440 1.00 0.00 C ATOM 0 H VAL A 8 11.146 4.416 4.871 1.00 0.00 H new ATOM 0 HA VAL A 8 11.206 6.284 6.333 1.00 0.00 H new ATOM 0 HB VAL A 8 9.106 4.307 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.687 4.906 8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.188 4.060 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.060 5.820 8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.530 6.357 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.953 7.312 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.835 6.656 5.390 1.00 0.00 H new ATOM 300 N LEU A 21 4.217 5.670 5.892 1.00 0.00 N ATOM 301 CA LEU A 21 4.289 4.334 5.335 1.00 0.00 C ATOM 302 C LEU A 21 5.656 3.763 5.806 1.00 0.00 C ATOM 303 O LEU A 21 6.591 4.543 5.792 1.00 0.00 O ATOM 304 CB LEU A 21 4.231 4.358 3.816 1.00 0.00 C ATOM 305 CG LEU A 21 4.065 5.726 3.127 1.00 0.00 C ATOM 306 CD1 LEU A 21 5.397 6.486 3.196 1.00 0.00 C ATOM 307 CD2 LEU A 21 3.672 5.541 1.660 1.00 0.00 C ATOM 0 HA LEU A 21 3.447 3.727 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.146 3.901 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.404 3.722 3.502 1.00 0.00 H new ATOM 0 HG LEU A 21 3.281 6.287 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.288 7.456 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.679 6.632 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.171 5.911 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.559 6.517 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.448 4.976 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.729 4.998 1.602 1.00 0.00 H new ATOM 319 N LYS A 22 5.597 2.496 6.157 1.00 0.00 N ATOM 320 CA LYS A 22 6.680 1.686 6.637 1.00 0.00 C ATOM 321 C LYS A 22 6.199 0.229 6.396 1.00 0.00 C ATOM 322 O LYS A 22 5.014 0.016 6.447 1.00 0.00 O ATOM 323 CB LYS A 22 6.820 1.661 8.187 1.00 0.00 C ATOM 324 CG LYS A 22 5.673 2.355 8.925 1.00 0.00 C ATOM 325 CD LYS A 22 5.854 2.461 10.429 1.00 0.00 C ATOM 326 CE LYS A 22 7.211 1.932 10.911 1.00 0.00 C ATOM 327 NZ LYS A 22 7.330 1.839 12.367 1.00 0.00 N ATOM 0 H LYS A 22 4.723 1.973 6.108 1.00 0.00 H new ATOM 0 HA LYS A 22 7.592 2.051 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.879 0.625 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.759 2.139 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.551 3.358 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.749 1.814 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.750 3.504 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.058 1.906 10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.379 0.945 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.999 2.584 10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.313 2.029 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.701 2.538 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.060 0.884 12.677 1.00 0.00 H new ATOM 341 N LEU A 23 7.238 -0.542 6.172 1.00 0.00 N ATOM 342 CA LEU A 23 6.936 -1.941 5.930 1.00 0.00 C ATOM 343 C LEU A 23 7.668 -2.538 7.174 1.00 0.00 C ATOM 344 O LEU A 23 8.250 -1.721 7.876 1.00 0.00 O ATOM 345 CB LEU A 23 7.256 -2.533 4.610 1.00 0.00 C ATOM 346 CG LEU A 23 6.129 -2.549 3.549 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.846 -2.794 2.197 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.135 -3.689 3.559 1.00 0.00 C ATOM 0 H LEU A 23 8.219 -0.263 6.151 1.00 0.00 H new ATOM 0 HA LEU A 23 5.871 -2.158 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.104 -1.990 4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.583 -3.560 4.771 1.00 0.00 H new ATOM 0 HG LEU A 23 5.582 -1.625 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.110 -2.818 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.558 -1.990 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.375 -3.746 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.413 -3.550 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.662 -4.632 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.612 -3.708 4.515 1.00 0.00 H new ATOM 360 N THR A 24 7.548 -3.830 7.289 1.00 0.00 N ATOM 361 CA THR A 24 8.172 -4.540 8.399 1.00 0.00 C ATOM 362 C THR A 24 8.094 -6.033 8.060 1.00 0.00 C ATOM 363 O THR A 24 8.992 -6.646 7.519 1.00 0.00 O ATOM 364 CB THR A 24 7.588 -4.185 9.760 1.00 0.00 C ATOM 365 OG1 THR A 24 7.892 -2.876 10.180 1.00 0.00 O ATOM 366 CG2 THR A 24 7.913 -5.137 10.905 1.00 0.00 C ATOM 0 H THR A 24 7.030 -4.421 6.639 1.00 0.00 H new ATOM 0 HA THR A 24 9.213 -4.234 8.506 1.00 0.00 H new ATOM 0 HB THR A 24 6.522 -4.279 9.555 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.414 -2.423 9.486 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.442 -4.779 11.821 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.537 -6.132 10.669 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.993 -5.182 11.046 1.00 0.00 H new ATOM 374 N ILE A 25 6.927 -6.504 8.448 1.00 0.00 N ATOM 375 CA ILE A 25 6.621 -7.906 8.244 1.00 0.00 C ATOM 376 C ILE A 25 7.432 -8.735 9.230 1.00 0.00 C ATOM 377 O ILE A 25 8.383 -8.186 9.748 1.00 0.00 O ATOM 378 CB ILE A 25 6.867 -8.248 6.776 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.441 -7.146 5.825 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.066 -9.516 6.432 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.509 -6.576 4.883 1.00 0.00 C ATOM 0 H ILE A 25 6.192 -5.955 8.894 1.00 0.00 H new ATOM 0 HA ILE A 25 5.574 -8.136 8.444 1.00 0.00 H new ATOM 0 HB ILE A 25 7.941 -8.389 6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.621 -7.526 5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.042 -6.324 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.229 -9.777 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.396 -10.338 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.005 -9.332 6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.067 -5.798 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.323 -6.152 5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.896 -7.373 4.248 1.00 0.00 H new ATOM 393 N THR A 26 7.028 -10.002 9.449 1.00 0.00 N ATOM 394 CA THR A 26 7.847 -10.688 10.401 1.00 0.00 C ATOM 395 C THR A 26 8.093 -12.146 9.891 1.00 0.00 C ATOM 396 O THR A 26 9.208 -12.658 9.850 1.00 0.00 O ATOM 397 CB THR A 26 7.328 -10.732 11.837 1.00 0.00 C ATOM 398 OG1 THR A 26 7.214 -9.461 12.386 1.00 0.00 O ATOM 399 CG2 THR A 26 8.357 -11.539 12.654 1.00 0.00 C ATOM 0 H THR A 26 6.242 -10.500 9.031 1.00 0.00 H new ATOM 0 HA THR A 26 8.764 -10.103 10.463 1.00 0.00 H new ATOM 0 HB THR A 26 6.336 -11.183 11.853 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.878 -9.530 13.304 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.030 -11.600 13.692 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.442 -12.544 12.241 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.327 -11.045 12.607 1.00 0.00 H new ATOM 407 N GLN A 27 6.901 -12.590 9.568 1.00 0.00 N ATOM 408 CA GLN A 27 6.804 -13.942 9.022 1.00 0.00 C ATOM 409 C GLN A 27 7.167 -15.060 9.969 1.00 0.00 C ATOM 410 O GLN A 27 8.252 -15.096 10.504 1.00 0.00 O ATOM 411 CB GLN A 27 7.419 -14.034 7.602 1.00 0.00 C ATOM 412 CG GLN A 27 8.898 -13.857 7.493 1.00 0.00 C ATOM 413 CD GLN A 27 9.503 -14.349 6.169 1.00 0.00 C ATOM 414 OE1 GLN A 27 10.261 -15.319 6.203 1.00 0.00 O ATOM 415 NE2 GLN A 27 9.062 -13.604 5.169 1.00 0.00 N ATOM 0 H GLN A 27 6.025 -12.077 9.662 1.00 0.00 H new ATOM 0 HA GLN A 27 5.738 -14.132 8.893 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.162 -15.007 7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.940 -13.281 6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.135 -12.800 7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.376 -14.388 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.425 -12.829 5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.358 -13.805 4.214 1.00 0.00 H new ATOM 424 N GLU A 28 6.134 -15.928 10.086 1.00 0.00 N ATOM 425 CA GLU A 28 6.218 -17.102 10.947 1.00 0.00 C ATOM 426 C GLU A 28 6.558 -18.266 9.995 1.00 0.00 C ATOM 427 O GLU A 28 7.511 -18.020 9.227 1.00 0.00 O ATOM 428 CB GLU A 28 4.845 -17.256 11.587 1.00 0.00 C ATOM 429 CG GLU A 28 4.802 -17.782 13.031 1.00 0.00 C ATOM 430 CD GLU A 28 3.367 -17.706 13.556 1.00 0.00 C ATOM 431 OE1 GLU A 28 2.506 -18.288 12.913 1.00 0.00 O ATOM 432 OE2 GLU A 28 3.166 -17.063 14.584 1.00 0.00 O ATOM 0 H GLU A 28 5.246 -15.827 9.594 1.00 0.00 H new ATOM 0 HA GLU A 28 6.963 -17.050 11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.351 -16.285 11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.255 -17.928 10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.160 -18.811 13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.465 -17.192 13.665 1.00 0.00 H new ATOM 439 N GLY A 29 5.849 -19.387 10.056 1.00 0.00 N ATOM 440 CA GLY A 29 6.300 -20.398 9.074 1.00 0.00 C ATOM 441 C GLY A 29 5.579 -19.871 7.812 1.00 0.00 C ATOM 442 O GLY A 29 6.164 -19.639 6.772 1.00 0.00 O ATOM 0 H GLY A 29 5.069 -19.615 10.673 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.384 -20.416 8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.991 -21.408 9.341 1.00 0.00 H new ATOM 446 N ASN A 30 4.284 -19.743 8.111 1.00 0.00 N ATOM 447 CA ASN A 30 3.359 -19.268 7.115 1.00 0.00 C ATOM 448 C ASN A 30 2.460 -18.256 7.828 1.00 0.00 C ATOM 449 O ASN A 30 1.322 -18.624 8.119 1.00 0.00 O ATOM 450 CB ASN A 30 2.426 -20.359 6.564 1.00 0.00 C ATOM 451 CG ASN A 30 2.117 -21.401 7.604 1.00 0.00 C ATOM 452 OD1 ASN A 30 0.960 -21.557 8.010 1.00 0.00 O ATOM 453 ND2 ASN A 30 3.171 -22.128 8.048 1.00 0.00 N ATOM 0 H ASN A 30 3.872 -19.960 9.018 1.00 0.00 H new ATOM 0 HA ASN A 30 3.936 -18.873 6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.498 -19.904 6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.891 -20.833 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.031 -22.850 8.755 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.104 -21.954 7.675 1.00 0.00 H new ATOM 460 N LYS A 31 2.988 -17.075 8.072 1.00 0.00 N ATOM 461 CA LYS A 31 2.033 -16.191 8.761 1.00 0.00 C ATOM 462 C LYS A 31 2.719 -14.837 8.669 1.00 0.00 C ATOM 463 O LYS A 31 3.650 -14.698 9.486 1.00 0.00 O ATOM 464 CB LYS A 31 1.829 -16.645 10.183 1.00 0.00 C ATOM 465 CG LYS A 31 0.627 -15.881 10.766 1.00 0.00 C ATOM 466 CD LYS A 31 0.734 -14.361 10.709 1.00 0.00 C ATOM 467 CE LYS A 31 -0.237 -13.775 11.719 1.00 0.00 C ATOM 468 NZ LYS A 31 0.098 -12.472 12.318 1.00 0.00 N ATOM 0 H LYS A 31 3.921 -16.727 7.852 1.00 0.00 H new ATOM 0 HA LYS A 31 1.032 -16.179 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.649 -17.719 10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.724 -16.454 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.272 -16.186 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.496 -16.181 11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.752 -14.044 10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.502 -14.002 9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.208 -13.681 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.354 -14.496 12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.649 -12.195 12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.004 -12.545 12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.176 -11.755 11.569 1.00 0.00 H new ATOM 482 N PHE A 32 2.323 -13.926 7.792 1.00 0.00 N ATOM 483 CA PHE A 32 3.088 -12.678 7.838 1.00 0.00 C ATOM 484 C PHE A 32 1.923 -11.657 7.637 1.00 0.00 C ATOM 485 O PHE A 32 0.875 -12.091 7.239 1.00 0.00 O ATOM 486 CB PHE A 32 4.212 -12.564 6.860 1.00 0.00 C ATOM 487 CG PHE A 32 3.707 -12.692 5.444 1.00 0.00 C ATOM 488 CD1 PHE A 32 3.437 -13.843 4.759 1.00 0.00 C ATOM 489 CD2 PHE A 32 3.476 -11.546 4.704 1.00 0.00 C ATOM 490 CE1 PHE A 32 2.969 -13.862 3.446 1.00 0.00 C ATOM 491 CE2 PHE A 32 3.014 -11.603 3.400 1.00 0.00 C ATOM 492 CZ PHE A 32 2.787 -12.645 2.839 1.00 0.00 C ATOM 0 H PHE A 32 1.567 -14.000 7.111 1.00 0.00 H new ATOM 0 HA PHE A 32 3.667 -12.541 8.752 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.714 -11.605 6.986 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.952 -13.339 7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.594 -14.786 5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.661 -10.582 5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.760 -14.789 2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.851 -10.679 2.866 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.427 -12.620 1.821 1.00 0.00 H new ATOM 502 N THR A 33 2.429 -10.479 7.981 1.00 0.00 N ATOM 503 CA THR A 33 1.455 -9.378 7.853 1.00 0.00 C ATOM 504 C THR A 33 2.312 -8.287 7.237 1.00 0.00 C ATOM 505 O THR A 33 3.371 -7.920 7.773 1.00 0.00 O ATOM 506 CB THR A 33 0.842 -9.154 9.187 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.527 -8.812 9.085 1.00 0.00 O ATOM 508 CG2 THR A 33 1.509 -7.971 9.871 1.00 0.00 C ATOM 0 H THR A 33 3.371 -10.263 8.308 1.00 0.00 H new ATOM 0 HA THR A 33 0.574 -9.512 7.225 1.00 0.00 H new ATOM 0 HB THR A 33 0.966 -10.083 9.744 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.893 -8.658 9.981 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.054 -7.812 10.849 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.573 -8.174 9.994 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.379 -7.077 9.261 1.00 0.00 H new ATOM 516 N VAL A 34 1.830 -7.795 6.118 1.00 0.00 N ATOM 517 CA VAL A 34 2.690 -6.738 5.534 1.00 0.00 C ATOM 518 C VAL A 34 2.253 -5.493 6.249 1.00 0.00 C ATOM 519 O VAL A 34 1.092 -5.178 6.395 1.00 0.00 O ATOM 520 CB VAL A 34 2.308 -6.854 4.081 1.00 0.00 C ATOM 521 CG1 VAL A 34 2.180 -5.594 3.245 1.00 0.00 C ATOM 522 CG2 VAL A 34 3.331 -7.754 3.335 1.00 0.00 C ATOM 0 H VAL A 34 0.970 -8.049 5.631 1.00 0.00 H new ATOM 0 HA VAL A 34 3.776 -6.776 5.625 1.00 0.00 H new ATOM 0 HB VAL A 34 1.297 -7.254 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.899 -5.860 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.415 -4.948 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.134 -5.067 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.048 -7.833 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.326 -7.314 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.338 -8.747 3.785 1.00 0.00 H new ATOM 532 N LYS A 35 3.354 -4.808 6.680 1.00 0.00 N ATOM 533 CA LYS A 35 3.277 -3.575 7.393 1.00 0.00 C ATOM 534 C LYS A 35 2.861 -2.326 6.649 1.00 0.00 C ATOM 535 O LYS A 35 2.749 -1.232 7.154 1.00 0.00 O ATOM 536 CB LYS A 35 4.525 -3.394 8.315 1.00 0.00 C ATOM 537 CG LYS A 35 4.608 -2.047 9.051 1.00 0.00 C ATOM 538 CD LYS A 35 5.265 -1.985 10.415 1.00 0.00 C ATOM 539 CE LYS A 35 4.313 -1.556 11.561 1.00 0.00 C ATOM 540 NZ LYS A 35 4.461 -0.135 11.865 1.00 0.00 N ATOM 0 H LYS A 35 4.309 -5.131 6.522 1.00 0.00 H new ATOM 0 HA LYS A 35 2.387 -3.694 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.529 -4.194 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.424 -3.515 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.138 -1.351 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.591 -1.670 9.160 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.680 -2.965 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.101 -1.287 10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.281 -1.765 11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.524 -2.146 12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.186 0.039 12.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.452 0.148 11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.850 0.421 11.233 1.00 0.00 H new ATOM 554 N GLU A 36 2.631 -2.591 5.343 1.00 0.00 N ATOM 555 CA GLU A 36 2.225 -1.630 4.357 1.00 0.00 C ATOM 556 C GLU A 36 1.233 -0.634 4.997 1.00 0.00 C ATOM 557 O GLU A 36 0.021 -0.859 5.006 1.00 0.00 O ATOM 558 CB GLU A 36 1.373 -2.492 3.387 1.00 0.00 C ATOM 559 CG GLU A 36 0.491 -1.708 2.385 1.00 0.00 C ATOM 560 CD GLU A 36 -0.951 -2.177 2.612 1.00 0.00 C ATOM 561 OE1 GLU A 36 -1.242 -3.335 2.304 1.00 0.00 O ATOM 562 OE2 GLU A 36 -1.781 -1.395 3.087 1.00 0.00 O ATOM 0 H GLU A 36 2.735 -3.529 4.956 1.00 0.00 H new ATOM 0 HA GLU A 36 3.065 -1.094 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.044 -3.139 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.728 -3.141 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.580 -0.634 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.804 -1.901 1.359 1.00 0.00 H new ATOM 569 N SER A 37 1.853 0.445 5.513 1.00 0.00 N ATOM 570 CA SER A 37 0.972 1.431 6.148 1.00 0.00 C ATOM 571 C SER A 37 0.572 2.462 5.140 1.00 0.00 C ATOM 572 O SER A 37 1.448 2.938 4.435 1.00 0.00 O ATOM 573 CB SER A 37 1.800 1.983 7.306 1.00 0.00 C ATOM 574 OG SER A 37 1.462 3.369 7.451 1.00 0.00 O ATOM 0 H SER A 37 2.854 0.643 5.508 1.00 0.00 H new ATOM 0 HA SER A 37 0.032 1.025 6.522 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.586 1.437 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.865 1.866 7.106 1.00 0.00 H new ATOM 0 HG SER A 37 1.977 3.756 8.190 1.00 0.00 H new ATOM 580 N SER A 38 -0.749 2.755 5.128 1.00 0.00 N ATOM 581 CA SER A 38 -1.269 3.742 4.191 1.00 0.00 C ATOM 582 C SER A 38 -2.770 3.892 4.266 1.00 0.00 C ATOM 583 O SER A 38 -3.368 3.365 5.195 1.00 0.00 O ATOM 584 CB SER A 38 -0.813 3.190 2.807 1.00 0.00 C ATOM 585 OG SER A 38 -0.776 1.778 2.757 1.00 0.00 O ATOM 0 H SER A 38 -1.445 2.330 5.741 1.00 0.00 H new ATOM 0 HA SER A 38 -0.899 4.745 4.401 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.490 3.557 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.177 3.582 2.575 1.00 0.00 H new ATOM 0 HG SER A 38 -0.485 1.490 1.867 1.00 0.00 H new ATOM 591 N ASN A 39 -3.342 4.613 3.281 1.00 0.00 N ATOM 592 CA ASN A 39 -4.771 4.841 3.216 1.00 0.00 C ATOM 593 C ASN A 39 -5.242 5.645 4.439 1.00 0.00 C ATOM 594 O ASN A 39 -5.222 6.861 4.390 1.00 0.00 O ATOM 595 CB ASN A 39 -5.518 3.519 3.115 1.00 0.00 C ATOM 596 CG ASN A 39 -5.656 3.061 1.672 1.00 0.00 C ATOM 597 OD1 ASN A 39 -4.690 3.021 0.928 1.00 0.00 O ATOM 598 ND2 ASN A 39 -6.933 2.746 1.381 1.00 0.00 N ATOM 0 H ASN A 39 -2.817 5.044 2.520 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.990 5.423 2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.990 2.758 3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.508 3.625 3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.179 2.431 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.654 2.823 2.099 1.00 0.00 H new ATOM 605 N PHE A 40 -5.634 4.858 5.459 1.00 0.00 N ATOM 606 CA PHE A 40 -6.083 5.592 6.624 1.00 0.00 C ATOM 607 C PHE A 40 -5.201 5.311 7.841 1.00 0.00 C ATOM 608 O PHE A 40 -5.006 6.250 8.580 1.00 0.00 O ATOM 609 CB PHE A 40 -7.540 5.160 6.938 1.00 0.00 C ATOM 610 CG PHE A 40 -8.555 5.712 6.008 1.00 0.00 C ATOM 611 CD1 PHE A 40 -8.506 7.042 5.643 1.00 0.00 C ATOM 612 CD2 PHE A 40 -9.548 4.926 5.490 1.00 0.00 C ATOM 613 CE1 PHE A 40 -9.480 7.515 4.760 1.00 0.00 C ATOM 614 CE2 PHE A 40 -10.447 5.507 4.628 1.00 0.00 C ATOM 615 CZ PHE A 40 -10.432 6.659 4.293 1.00 0.00 C ATOM 0 H PHE A 40 -5.648 3.839 5.497 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.026 6.659 6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.597 4.072 6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.788 5.470 7.953 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -7.738 7.697 6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.623 3.881 5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.478 8.550 4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.226 4.879 4.221 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.185 7.024 3.610 1.00 0.00 H new ATOM 625 N ARG A 41 -4.737 4.072 7.975 1.00 0.00 N ATOM 626 CA ARG A 41 -3.895 3.700 9.095 1.00 0.00 C ATOM 627 C ARG A 41 -2.779 2.740 8.769 1.00 0.00 C ATOM 628 O ARG A 41 -2.221 2.876 7.680 1.00 0.00 O ATOM 629 CB ARG A 41 -4.811 3.103 10.179 1.00 0.00 C ATOM 630 CG ARG A 41 -5.772 2.020 9.682 1.00 0.00 C ATOM 631 CD ARG A 41 -6.994 2.515 8.881 1.00 0.00 C ATOM 632 NE ARG A 41 -8.136 1.920 9.564 1.00 0.00 N ATOM 633 CZ ARG A 41 -8.647 2.547 10.654 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.149 3.674 11.110 1.00 0.00 N ATOM 635 NH2 ARG A 41 -9.695 1.977 11.264 1.00 0.00 N ATOM 0 H ARG A 41 -4.932 3.314 7.321 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.383 4.602 9.430 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.189 2.682 10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.393 3.908 10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.212 1.324 9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.131 1.458 10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.054 3.603 8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.943 2.197 7.840 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.544 1.047 9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.352 4.106 10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.559 4.117 11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.080 1.103 10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.108 2.417 12.086 1.00 0.00 H new ATOM 649 N ASN A 42 -2.421 1.791 9.634 1.00 0.00 N ATOM 650 CA ASN A 42 -1.337 0.932 9.227 1.00 0.00 C ATOM 651 C ASN A 42 -1.936 -0.171 8.321 1.00 0.00 C ATOM 652 O ASN A 42 -1.201 -0.754 7.540 1.00 0.00 O ATOM 653 CB ASN A 42 -0.666 0.244 10.424 1.00 0.00 C ATOM 654 CG ASN A 42 0.091 1.273 11.258 1.00 0.00 C ATOM 655 OD1 ASN A 42 1.273 1.595 11.135 1.00 0.00 O ATOM 656 ND2 ASN A 42 -0.780 1.775 12.177 1.00 0.00 N ATOM 0 H ASN A 42 -2.834 1.612 10.549 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.587 1.536 8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.418 -0.252 11.038 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.019 -0.528 10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.468 2.483 12.842 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.744 1.443 12.200 1.00 0.00 H new ATOM 663 N ILE A 43 -3.224 -0.284 8.582 1.00 0.00 N ATOM 664 CA ILE A 43 -4.086 -1.233 7.894 1.00 0.00 C ATOM 665 C ILE A 43 -3.302 -2.393 7.375 1.00 0.00 C ATOM 666 O ILE A 43 -3.018 -2.729 6.242 1.00 0.00 O ATOM 667 CB ILE A 43 -4.768 -0.375 6.805 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.797 -1.186 6.054 1.00 0.00 C ATOM 669 CG2 ILE A 43 -3.724 0.066 5.769 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.853 -0.341 5.341 1.00 0.00 C ATOM 0 H ILE A 43 -3.707 0.281 9.280 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.831 -1.708 8.533 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.234 0.477 7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.288 -1.809 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.295 -1.859 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.206 0.671 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.949 0.654 6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.274 -0.814 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.555 -0.996 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.390 0.263 6.072 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.367 0.313 4.617 1.00 0.00 H new ATOM 682 N ASP A 44 -2.868 -3.151 8.413 1.00 0.00 N ATOM 683 CA ASP A 44 -2.079 -4.337 8.188 1.00 0.00 C ATOM 684 C ASP A 44 -3.005 -5.298 7.461 1.00 0.00 C ATOM 685 O ASP A 44 -4.217 -5.176 7.603 1.00 0.00 O ATOM 686 CB ASP A 44 -1.619 -4.995 9.511 1.00 0.00 C ATOM 687 CG ASP A 44 -2.716 -5.122 10.565 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.850 -4.689 10.380 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.389 -5.699 11.603 1.00 0.00 O ATOM 0 H ASP A 44 -3.060 -2.946 9.394 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.177 -4.090 7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.226 -5.988 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.798 -4.411 9.927 1.00 0.00 H new ATOM 694 N VAL A 45 -2.320 -6.183 6.736 1.00 0.00 N ATOM 695 CA VAL A 45 -3.110 -7.160 5.989 1.00 0.00 C ATOM 696 C VAL A 45 -2.547 -8.490 6.533 1.00 0.00 C ATOM 697 O VAL A 45 -1.375 -8.714 6.336 1.00 0.00 O ATOM 698 CB VAL A 45 -2.946 -6.985 4.517 1.00 0.00 C ATOM 699 CG1 VAL A 45 -3.985 -7.740 3.673 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.224 -5.506 4.109 1.00 0.00 C ATOM 0 H VAL A 45 -1.306 -6.246 6.651 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.189 -7.079 6.120 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.933 -7.342 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.795 -7.560 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.913 -8.808 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.985 -7.388 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.100 -5.396 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.244 -5.238 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.523 -4.849 4.624 1.00 0.00 H new ATOM 710 N VAL A 46 -3.408 -9.286 7.185 1.00 0.00 N ATOM 711 CA VAL A 46 -2.840 -10.514 7.670 1.00 0.00 C ATOM 712 C VAL A 46 -3.457 -11.781 7.084 1.00 0.00 C ATOM 713 O VAL A 46 -4.547 -11.693 6.540 1.00 0.00 O ATOM 714 CB VAL A 46 -3.217 -10.539 9.176 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.499 -11.294 9.468 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.158 -11.251 10.044 1.00 0.00 C ATOM 0 H VAL A 46 -4.397 -9.115 7.368 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.780 -10.522 7.417 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.311 -9.480 9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.700 -11.270 10.539 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.326 -10.827 8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.394 -12.329 9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.474 -11.238 11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.048 -12.283 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.202 -10.735 9.948 1.00 0.00 H new ATOM 726 N PHE A 47 -2.673 -12.844 7.270 1.00 0.00 N ATOM 727 CA PHE A 47 -3.202 -14.067 6.738 1.00 0.00 C ATOM 728 C PHE A 47 -2.297 -15.240 7.043 1.00 0.00 C ATOM 729 O PHE A 47 -1.506 -15.087 7.976 1.00 0.00 O ATOM 730 CB PHE A 47 -3.360 -13.954 5.195 1.00 0.00 C ATOM 731 CG PHE A 47 -2.267 -13.010 4.690 1.00 0.00 C ATOM 732 CD1 PHE A 47 -0.975 -13.450 4.897 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.465 -11.801 4.067 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.063 -12.655 4.472 1.00 0.00 C ATOM 735 CE2 PHE A 47 -1.357 -11.062 3.666 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.217 -11.455 3.854 1.00 0.00 C ATOM 0 H PHE A 47 -1.766 -12.878 7.736 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.171 -14.234 7.208 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.267 -14.934 4.727 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.347 -13.570 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.784 -14.396 5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.464 -11.431 3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.086 -12.967 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.510 -10.113 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.605 -10.838 3.523 1.00 0.00 H new ATOM 746 N GLU A 48 -2.383 -16.362 6.316 1.00 0.00 N ATOM 747 CA GLU A 48 -1.489 -17.449 6.647 1.00 0.00 C ATOM 748 C GLU A 48 -0.892 -18.182 5.429 1.00 0.00 C ATOM 749 O GLU A 48 -0.917 -19.392 5.341 1.00 0.00 O ATOM 750 CB GLU A 48 -2.422 -18.414 7.400 1.00 0.00 C ATOM 751 CG GLU A 48 -1.756 -18.884 8.676 1.00 0.00 C ATOM 752 CD GLU A 48 -2.750 -19.493 9.658 1.00 0.00 C ATOM 753 OE1 GLU A 48 -3.141 -20.645 9.383 1.00 0.00 O ATOM 754 OE2 GLU A 48 -3.156 -18.918 10.662 1.00 0.00 O ATOM 0 H GLU A 48 -3.026 -16.526 5.542 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.621 -17.085 7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.363 -17.916 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.662 -19.269 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.991 -19.621 8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.250 -18.043 9.150 1.00 0.00 H new ATOM 761 N LEU A 49 -0.377 -17.320 4.543 1.00 0.00 N ATOM 762 CA LEU A 49 0.255 -17.668 3.299 1.00 0.00 C ATOM 763 C LEU A 49 -0.402 -18.811 2.532 1.00 0.00 C ATOM 764 O LEU A 49 -0.267 -19.997 2.713 1.00 0.00 O ATOM 765 CB LEU A 49 1.726 -18.030 3.621 1.00 0.00 C ATOM 766 CG LEU A 49 2.684 -17.675 2.510 1.00 0.00 C ATOM 767 CD1 LEU A 49 3.976 -18.536 2.438 1.00 0.00 C ATOM 768 CD2 LEU A 49 2.047 -17.850 1.115 1.00 0.00 C ATOM 0 H LEU A 49 -0.400 -16.312 4.699 1.00 0.00 H new ATOM 0 HA LEU A 49 0.163 -16.807 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.029 -17.514 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.794 -19.099 3.823 1.00 0.00 H new ATOM 0 HG LEU A 49 2.931 -16.642 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.593 -18.198 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.534 -18.433 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.708 -19.582 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.773 -17.583 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.743 -18.888 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.174 -17.203 1.030 1.00 0.00 H new ATOM 780 N GLY A 50 -1.214 -18.393 1.555 1.00 0.00 N ATOM 781 CA GLY A 50 -1.920 -19.364 0.721 1.00 0.00 C ATOM 782 C GLY A 50 -3.292 -19.440 1.428 1.00 0.00 C ATOM 783 O GLY A 50 -3.643 -20.553 1.717 1.00 0.00 O ATOM 0 H GLY A 50 -1.394 -17.415 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.009 -19.029 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.416 -20.330 0.700 1.00 0.00 H new ATOM 787 N VAL A 51 -3.862 -18.247 1.604 1.00 0.00 N ATOM 788 CA VAL A 51 -5.144 -18.164 2.261 1.00 0.00 C ATOM 789 C VAL A 51 -5.986 -17.021 1.723 1.00 0.00 C ATOM 790 O VAL A 51 -5.528 -15.886 1.789 1.00 0.00 O ATOM 791 CB VAL A 51 -5.056 -17.997 3.783 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.246 -17.462 4.542 1.00 0.00 C ATOM 793 CG2 VAL A 51 -4.849 -19.398 4.410 1.00 0.00 C ATOM 0 H VAL A 51 -3.463 -17.357 1.307 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.611 -19.124 2.043 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.259 -17.259 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.007 -17.411 5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.492 -16.465 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.099 -18.124 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.783 -19.305 5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.691 -20.040 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.927 -19.836 4.027 1.00 0.00 H new ATOM 803 N ASP A 52 -7.175 -17.465 1.235 1.00 0.00 N ATOM 804 CA ASP A 52 -8.053 -16.431 0.696 1.00 0.00 C ATOM 805 C ASP A 52 -8.881 -15.870 1.890 1.00 0.00 C ATOM 806 O ASP A 52 -9.088 -16.591 2.841 1.00 0.00 O ATOM 807 CB ASP A 52 -8.892 -16.940 -0.440 1.00 0.00 C ATOM 808 CG ASP A 52 -10.132 -17.734 0.031 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.008 -18.823 0.582 1.00 0.00 O ATOM 810 OD2 ASP A 52 -11.221 -17.210 -0.179 1.00 0.00 O ATOM 0 H ASP A 52 -7.510 -18.428 1.207 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.477 -15.621 0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.218 -16.097 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.280 -17.578 -1.078 1.00 0.00 H new ATOM 815 N PHE A 53 -9.280 -14.578 1.683 1.00 0.00 N ATOM 816 CA PHE A 53 -10.043 -14.070 2.775 1.00 0.00 C ATOM 817 C PHE A 53 -10.778 -12.766 2.596 1.00 0.00 C ATOM 818 O PHE A 53 -10.141 -11.786 2.255 1.00 0.00 O ATOM 819 CB PHE A 53 -9.093 -13.823 3.984 1.00 0.00 C ATOM 820 CG PHE A 53 -7.958 -12.899 3.631 1.00 0.00 C ATOM 821 CD1 PHE A 53 -7.015 -13.286 2.707 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.722 -11.632 4.138 1.00 0.00 C ATOM 823 CE1 PHE A 53 -5.973 -12.450 2.376 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.671 -10.834 3.770 1.00 0.00 C ATOM 825 CZ PHE A 53 -5.791 -11.351 2.828 1.00 0.00 C ATOM 0 H PHE A 53 -9.102 -13.974 0.881 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.803 -14.841 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.662 -13.398 4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.691 -14.775 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.093 -14.255 2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.413 -11.247 4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.260 -12.811 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.533 -9.850 4.192 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.944 -10.766 2.502 1.00 0.00 H new ATOM 835 N ALA A 54 -12.104 -12.736 2.822 1.00 0.00 N ATOM 836 CA ALA A 54 -12.853 -11.476 2.654 1.00 0.00 C ATOM 837 C ALA A 54 -12.690 -10.824 4.056 1.00 0.00 C ATOM 838 O ALA A 54 -13.158 -11.480 4.977 1.00 0.00 O ATOM 839 CB ALA A 54 -14.314 -11.689 2.321 1.00 0.00 C ATOM 0 H ALA A 54 -12.663 -13.538 3.111 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.484 -10.875 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.807 -10.723 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.397 -12.247 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.792 -12.251 3.124 1.00 0.00 H new ATOM 845 N TYR A 55 -12.069 -9.647 4.130 1.00 0.00 N ATOM 846 CA TYR A 55 -11.949 -9.100 5.498 1.00 0.00 C ATOM 847 C TYR A 55 -12.118 -7.598 5.539 1.00 0.00 C ATOM 848 O TYR A 55 -11.576 -6.882 4.728 1.00 0.00 O ATOM 849 CB TYR A 55 -10.681 -9.643 6.132 1.00 0.00 C ATOM 850 CG TYR A 55 -10.531 -9.392 7.619 1.00 0.00 C ATOM 851 CD1 TYR A 55 -11.120 -10.110 8.618 1.00 0.00 C ATOM 852 CD2 TYR A 55 -9.732 -8.346 8.093 1.00 0.00 C ATOM 853 CE1 TYR A 55 -10.962 -9.857 9.970 1.00 0.00 C ATOM 854 CE2 TYR A 55 -9.618 -8.143 9.449 1.00 0.00 C ATOM 855 CZ TYR A 55 -10.269 -8.950 10.361 1.00 0.00 C ATOM 856 OH TYR A 55 -10.167 -8.757 11.716 1.00 0.00 O ATOM 0 H TYR A 55 -11.679 -9.100 3.363 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.777 -9.443 6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.641 -10.718 5.958 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.824 -9.205 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.756 -10.936 8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.209 -7.703 7.400 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.469 -10.484 10.689 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.003 -7.331 9.809 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.578 -7.995 11.894 1.00 0.00 H new ATOM 866 N SER A 56 -12.911 -7.247 6.557 1.00 0.00 N ATOM 867 CA SER A 56 -13.172 -5.822 6.724 1.00 0.00 C ATOM 868 C SER A 56 -12.063 -5.268 7.642 1.00 0.00 C ATOM 869 O SER A 56 -11.718 -6.015 8.555 1.00 0.00 O ATOM 870 CB SER A 56 -14.586 -5.703 7.293 1.00 0.00 C ATOM 871 OG SER A 56 -14.743 -4.801 8.351 1.00 0.00 O ATOM 0 H SER A 56 -13.351 -7.876 7.228 1.00 0.00 H new ATOM 0 HA SER A 56 -13.143 -5.239 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.258 -5.409 6.487 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.906 -6.689 7.631 1.00 0.00 H new ATOM 0 HG SER A 56 -15.679 -4.797 8.641 1.00 0.00 H new ATOM 877 N LEU A 57 -11.610 -4.062 7.343 1.00 0.00 N ATOM 878 CA LEU A 57 -10.568 -3.438 8.133 1.00 0.00 C ATOM 879 C LEU A 57 -10.850 -1.990 8.514 1.00 0.00 C ATOM 880 O LEU A 57 -11.055 -1.661 9.680 1.00 0.00 O ATOM 881 CB LEU A 57 -9.251 -3.664 7.376 1.00 0.00 C ATOM 882 CG LEU A 57 -8.220 -4.389 8.250 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.903 -4.421 7.491 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.849 -3.665 9.545 1.00 0.00 C ATOM 0 H LEU A 57 -11.947 -3.499 6.562 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.510 -3.903 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.443 -4.249 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.846 -2.705 7.053 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.675 -5.352 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.150 -4.932 8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.039 -4.952 6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.575 -3.401 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.115 -4.255 10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.426 -2.689 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.741 -3.535 10.157 1.00 0.00 H new ATOM 896 N ALA A 58 -10.857 -1.133 7.509 1.00 0.00 N ATOM 897 CA ALA A 58 -11.115 0.283 7.730 1.00 0.00 C ATOM 898 C ALA A 58 -12.571 0.679 7.545 1.00 0.00 C ATOM 899 O ALA A 58 -12.795 1.854 7.258 1.00 0.00 O ATOM 900 CB ALA A 58 -10.325 1.028 6.648 1.00 0.00 C ATOM 0 H ALA A 58 -10.688 -1.388 6.536 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.837 0.520 8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.478 2.101 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.264 0.800 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.671 0.713 5.663 1.00 0.00 H new ATOM 906 N ASP A 59 -13.498 -0.285 7.704 1.00 0.00 N ATOM 907 CA ASP A 59 -14.903 0.035 7.541 1.00 0.00 C ATOM 908 C ASP A 59 -15.274 0.565 6.162 1.00 0.00 C ATOM 909 O ASP A 59 -16.337 1.130 5.998 1.00 0.00 O ATOM 910 CB ASP A 59 -15.346 1.109 8.545 1.00 0.00 C ATOM 911 CG ASP A 59 -14.516 1.089 9.812 1.00 0.00 C ATOM 912 OD1 ASP A 59 -14.809 0.299 10.711 1.00 0.00 O ATOM 913 OD2 ASP A 59 -13.559 1.848 9.933 1.00 0.00 O ATOM 0 H ASP A 59 -13.296 -1.257 7.938 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.407 -0.918 7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.271 2.092 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.395 0.956 8.798 1.00 0.00 H new ATOM 918 N GLY A 60 -14.336 0.336 5.226 1.00 0.00 N ATOM 919 CA GLY A 60 -14.487 0.760 3.850 1.00 0.00 C ATOM 920 C GLY A 60 -13.258 0.185 3.124 1.00 0.00 C ATOM 921 O GLY A 60 -12.520 0.935 2.512 1.00 0.00 O ATOM 0 H GLY A 60 -13.459 -0.148 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.414 0.382 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.520 1.847 3.772 1.00 0.00 H new ATOM 925 N THR A 61 -13.191 -1.135 3.285 1.00 0.00 N ATOM 926 CA THR A 61 -12.140 -1.953 2.716 1.00 0.00 C ATOM 927 C THR A 61 -12.746 -3.131 1.919 1.00 0.00 C ATOM 928 O THR A 61 -12.930 -2.957 0.730 1.00 0.00 O ATOM 929 CB THR A 61 -11.183 -2.402 3.821 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.808 -2.539 5.072 1.00 0.00 O ATOM 931 CG2 THR A 61 -9.981 -1.453 3.912 1.00 0.00 C ATOM 0 H THR A 61 -13.877 -1.666 3.822 1.00 0.00 H new ATOM 0 HA THR A 61 -11.556 -1.370 2.004 1.00 0.00 H new ATOM 0 HB THR A 61 -10.833 -3.396 3.544 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.706 -2.911 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.311 -1.789 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.447 -1.450 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.330 -0.445 4.135 1.00 0.00 H new ATOM 939 N GLU A 62 -12.986 -4.207 2.663 1.00 0.00 N ATOM 940 CA GLU A 62 -13.562 -5.382 2.010 1.00 0.00 C ATOM 941 C GLU A 62 -12.534 -6.008 1.087 1.00 0.00 C ATOM 942 O GLU A 62 -12.868 -6.825 0.229 1.00 0.00 O ATOM 943 CB GLU A 62 -14.815 -4.920 1.282 1.00 0.00 C ATOM 944 CG GLU A 62 -16.061 -5.772 1.542 1.00 0.00 C ATOM 945 CD GLU A 62 -16.555 -5.442 2.969 1.00 0.00 C ATOM 946 OE1 GLU A 62 -15.695 -5.213 3.843 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.762 -5.415 3.183 1.00 0.00 O ATOM 0 H GLU A 62 -12.804 -4.293 3.663 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.839 -6.157 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.028 -3.891 1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.614 -4.913 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.836 -5.554 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.827 -6.833 1.452 1.00 0.00 H new ATOM 954 N LEU A 63 -11.280 -5.586 1.298 1.00 0.00 N ATOM 955 CA LEU A 63 -10.212 -6.095 0.509 1.00 0.00 C ATOM 956 C LEU A 63 -10.167 -7.621 0.675 1.00 0.00 C ATOM 957 O LEU A 63 -9.609 -8.193 1.583 1.00 0.00 O ATOM 958 CB LEU A 63 -8.842 -5.564 1.010 1.00 0.00 C ATOM 959 CG LEU A 63 -8.473 -4.228 0.387 1.00 0.00 C ATOM 960 CD1 LEU A 63 -9.409 -3.084 0.782 1.00 0.00 C ATOM 961 CD2 LEU A 63 -7.091 -3.808 0.908 1.00 0.00 C ATOM 0 H LEU A 63 -11.008 -4.902 2.005 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.380 -5.787 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.871 -5.460 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.067 -6.295 0.780 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.522 -4.380 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.082 -2.163 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.425 -3.319 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.388 -2.953 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.812 -2.850 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.125 -3.714 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.354 -4.562 0.632 1.00 0.00 H new ATOM 973 N THR A 64 -10.814 -8.235 -0.308 1.00 0.00 N ATOM 974 CA THR A 64 -10.952 -9.646 -0.468 1.00 0.00 C ATOM 975 C THR A 64 -9.667 -10.058 -1.233 1.00 0.00 C ATOM 976 O THR A 64 -9.523 -9.664 -2.385 1.00 0.00 O ATOM 977 CB THR A 64 -12.147 -9.964 -1.377 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.347 -9.445 -0.857 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.266 -11.445 -1.578 1.00 0.00 C ATOM 0 H THR A 64 -11.279 -7.714 -1.051 1.00 0.00 H new ATOM 0 HA THR A 64 -11.096 -10.152 0.487 1.00 0.00 H new ATOM 0 HB THR A 64 -11.968 -9.485 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.194 -8.534 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.117 -11.657 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.355 -11.824 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.412 -11.932 -0.614 1.00 0.00 H new ATOM 987 N GLY A 65 -8.844 -10.822 -0.520 1.00 0.00 N ATOM 988 CA GLY A 65 -7.650 -11.168 -1.269 1.00 0.00 C ATOM 989 C GLY A 65 -7.217 -12.584 -0.898 1.00 0.00 C ATOM 990 O GLY A 65 -8.041 -13.363 -0.479 1.00 0.00 O ATOM 0 H GLY A 65 -8.952 -11.169 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.846 -11.104 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.850 -10.461 -1.049 1.00 0.00 H new ATOM 994 N THR A 66 -5.899 -12.675 -1.146 1.00 0.00 N ATOM 995 CA THR A 66 -5.175 -13.917 -0.936 1.00 0.00 C ATOM 996 C THR A 66 -3.724 -13.781 -1.272 1.00 0.00 C ATOM 997 O THR A 66 -3.324 -13.183 -2.274 1.00 0.00 O ATOM 998 CB THR A 66 -5.816 -14.883 -1.968 1.00 0.00 C ATOM 999 OG1 THR A 66 -5.220 -16.118 -1.785 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.545 -14.323 -3.379 1.00 0.00 C ATOM 0 H THR A 66 -5.327 -11.903 -1.489 1.00 0.00 H new ATOM 0 HA THR A 66 -5.234 -14.242 0.103 1.00 0.00 H new ATOM 0 HB THR A 66 -6.894 -14.981 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.599 -16.762 -2.419 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.986 -14.985 -4.124 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.987 -13.331 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.470 -14.257 -3.544 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.774 -14.303 -0.453 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.346 -14.109 -0.797 1.00 0.00 C ATOM 1010 C TRP A 67 -0.642 -15.413 -0.442 1.00 0.00 C ATOM 1011 O TRP A 67 -0.683 -15.797 0.704 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.830 -12.939 0.039 1.00 0.00 C ATOM 1013 CG TRP A 67 -1.851 -11.853 -0.363 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -3.023 -11.724 0.358 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -1.789 -10.923 -1.445 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -3.620 -10.771 -0.301 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -2.984 -10.218 -1.394 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -0.897 -10.609 -2.436 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -3.207 -9.269 -2.331 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.143 -9.646 -3.365 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.330 -8.945 -3.329 1.00 0.00 C ATOM 0 H TRP A 67 -2.956 -14.831 0.401 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.176 -13.880 -1.849 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.846 -13.151 1.108 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.193 -12.664 -0.216 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.355 -12.266 1.231 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -4.541 -10.440 -0.014 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.038 -11.147 -2.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.142 -8.730 -2.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.410 -9.431 -4.129 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.556 -8.177 -4.054 1.00 0.00 H new ATOM 1032 N THR A 68 -0.105 -15.889 -1.575 1.00 0.00 N ATOM 1033 CA THR A 68 0.624 -17.117 -1.706 1.00 0.00 C ATOM 1034 C THR A 68 2.148 -16.986 -1.884 1.00 0.00 C ATOM 1035 O THR A 68 2.655 -17.823 -2.604 1.00 0.00 O ATOM 1036 CB THR A 68 0.070 -17.953 -2.853 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.637 -17.753 -4.119 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.461 -17.797 -3.038 1.00 0.00 C ATOM 0 H THR A 68 -0.183 -15.386 -2.459 1.00 0.00 H new ATOM 0 HA THR A 68 0.478 -17.604 -0.742 1.00 0.00 H new ATOM 0 HB THR A 68 0.347 -18.951 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.611 -17.844 -4.059 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.792 -18.418 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.971 -18.109 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.698 -16.754 -3.247 1.00 0.00 H new ATOM 1046 N MET A 69 2.561 -15.955 -1.181 1.00 0.00 N ATOM 1047 CA MET A 69 3.943 -15.487 -1.081 1.00 0.00 C ATOM 1048 C MET A 69 4.853 -16.608 -1.541 1.00 0.00 C ATOM 1049 O MET A 69 5.342 -17.366 -0.729 1.00 0.00 O ATOM 1050 CB MET A 69 4.216 -15.298 0.435 1.00 0.00 C ATOM 1051 CG MET A 69 5.634 -14.761 0.624 1.00 0.00 C ATOM 1052 SD MET A 69 6.197 -14.809 2.318 1.00 0.00 S ATOM 1053 CE MET A 69 6.458 -13.033 2.581 1.00 0.00 C ATOM 0 H MET A 69 1.917 -15.385 -0.633 1.00 0.00 H new ATOM 0 HA MET A 69 4.106 -14.581 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.491 -14.606 0.864 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.100 -16.247 0.959 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.319 -15.342 0.006 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.675 -13.732 0.265 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.553 -12.833 3.648 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.369 -12.720 2.070 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.609 -12.478 2.183 1.00 0.00 H new ATOM 1063 N GLU A 70 5.000 -16.619 -2.888 1.00 0.00 N ATOM 1064 CA GLU A 70 5.845 -17.647 -3.470 1.00 0.00 C ATOM 1065 C GLU A 70 7.243 -17.070 -3.570 1.00 0.00 C ATOM 1066 O GLU A 70 7.608 -16.400 -4.522 1.00 0.00 O ATOM 1067 CB GLU A 70 5.405 -17.970 -4.916 1.00 0.00 C ATOM 1068 CG GLU A 70 6.148 -19.064 -5.647 1.00 0.00 C ATOM 1069 CD GLU A 70 5.187 -20.195 -6.016 1.00 0.00 C ATOM 1070 OE1 GLU A 70 4.633 -20.763 -5.056 1.00 0.00 O ATOM 1071 OE2 GLU A 70 4.957 -20.538 -7.168 1.00 0.00 O ATOM 0 H GLU A 70 4.569 -15.966 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 70 5.788 -18.546 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.349 -18.239 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.489 -17.056 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.611 -18.661 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.952 -19.449 -5.021 1.00 0.00 H new ATOM 1078 N GLY A 71 7.986 -17.393 -2.515 1.00 0.00 N ATOM 1079 CA GLY A 71 9.335 -16.925 -2.468 1.00 0.00 C ATOM 1080 C GLY A 71 9.221 -15.376 -2.375 1.00 0.00 C ATOM 1081 O GLY A 71 8.479 -14.829 -1.578 1.00 0.00 O ATOM 0 H GLY A 71 7.679 -17.954 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.865 -17.334 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.889 -17.227 -3.357 1.00 0.00 H new ATOM 1085 N ASN A 72 10.048 -14.821 -3.273 1.00 0.00 N ATOM 1086 CA ASN A 72 10.111 -13.390 -3.363 1.00 0.00 C ATOM 1087 C ASN A 72 9.013 -12.864 -4.284 1.00 0.00 C ATOM 1088 O ASN A 72 9.402 -12.240 -5.278 1.00 0.00 O ATOM 1089 CB ASN A 72 11.527 -12.939 -3.789 1.00 0.00 C ATOM 1090 CG ASN A 72 12.510 -13.547 -2.810 1.00 0.00 C ATOM 1091 OD1 ASN A 72 13.438 -14.241 -3.222 1.00 0.00 O ATOM 1092 ND2 ASN A 72 12.275 -13.264 -1.519 1.00 0.00 N ATOM 0 H ASN A 72 10.653 -15.333 -3.915 1.00 0.00 H new ATOM 0 HA ASN A 72 9.927 -12.956 -2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.745 -13.267 -4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.602 -11.852 -3.782 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.891 -13.635 -0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.480 -12.678 -1.262 1.00 0.00 H new ATOM 1099 N LYS A 73 7.744 -13.148 -3.888 1.00 0.00 N ATOM 1100 CA LYS A 73 6.690 -12.656 -4.760 1.00 0.00 C ATOM 1101 C LYS A 73 5.439 -12.290 -3.961 1.00 0.00 C ATOM 1102 O LYS A 73 5.314 -12.803 -2.841 1.00 0.00 O ATOM 1103 CB LYS A 73 6.405 -13.530 -5.969 1.00 0.00 C ATOM 1104 CG LYS A 73 7.301 -13.298 -7.161 1.00 0.00 C ATOM 1105 CD LYS A 73 8.405 -14.359 -7.265 1.00 0.00 C ATOM 1106 CE LYS A 73 9.683 -13.808 -7.921 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.291 -14.819 -8.771 1.00 0.00 N ATOM 0 H LYS A 73 7.460 -13.663 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 73 7.073 -11.737 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.491 -14.574 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.371 -13.370 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.702 -13.307 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.754 -12.309 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.642 -14.732 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.038 -15.207 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.444 -12.923 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.390 -13.497 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.153 -14.433 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.536 -15.652 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.620 -15.096 -9.516 1.00 0.00 H new ATOM 1121 N LEU A 74 4.620 -11.449 -4.574 1.00 0.00 N ATOM 1122 CA LEU A 74 3.418 -11.052 -3.881 1.00 0.00 C ATOM 1123 C LEU A 74 2.246 -10.935 -4.829 1.00 0.00 C ATOM 1124 O LEU A 74 1.608 -9.924 -5.010 1.00 0.00 O ATOM 1125 CB LEU A 74 3.709 -9.748 -3.109 1.00 0.00 C ATOM 1126 CG LEU A 74 4.236 -10.108 -1.707 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.656 -8.902 -0.901 1.00 0.00 C ATOM 1128 CD2 LEU A 74 3.227 -10.894 -0.836 1.00 0.00 C ATOM 0 H LEU A 74 4.758 -11.049 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 74 3.126 -11.818 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.444 -9.148 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.803 -9.147 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 74 5.097 -10.738 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.017 -9.225 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.452 -8.373 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.803 -8.236 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.674 -11.109 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.325 -10.298 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.970 -11.830 -1.332 1.00 0.00 H new ATOM 1140 N VAL A 75 2.065 -12.145 -5.404 1.00 0.00 N ATOM 1141 CA VAL A 75 1.025 -12.382 -6.353 1.00 0.00 C ATOM 1142 C VAL A 75 -0.310 -12.855 -5.768 1.00 0.00 C ATOM 1143 O VAL A 75 -0.574 -13.988 -5.400 1.00 0.00 O ATOM 1144 CB VAL A 75 1.586 -13.389 -7.369 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.681 -13.756 -8.515 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.820 -12.768 -8.063 1.00 0.00 C ATOM 0 H VAL A 75 2.646 -12.960 -5.206 1.00 0.00 H new ATOM 0 HA VAL A 75 0.760 -11.430 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 75 1.770 -14.280 -6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.187 -14.472 -9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.235 -14.201 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.435 -12.861 -9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.225 -13.476 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.526 -11.853 -8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.580 -12.537 -7.316 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.181 -11.840 -5.714 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.529 -12.109 -5.174 1.00 0.00 C ATOM 1158 C GLY A 76 -3.320 -10.847 -5.553 1.00 0.00 C ATOM 1159 O GLY A 76 -3.054 -10.317 -6.612 1.00 0.00 O ATOM 0 H GLY A 76 -1.001 -10.882 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.967 -13.005 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.507 -12.261 -4.095 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.231 -10.530 -4.592 1.00 0.00 N ATOM 1164 CA LYS A 77 -4.976 -9.351 -4.949 1.00 0.00 C ATOM 1165 C LYS A 77 -5.940 -8.938 -3.863 1.00 0.00 C ATOM 1166 O LYS A 77 -6.213 -9.710 -2.984 1.00 0.00 O ATOM 1167 CB LYS A 77 -5.808 -9.855 -6.162 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.187 -9.266 -6.188 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.008 -9.656 -7.407 1.00 0.00 C ATOM 1170 CE LYS A 77 -8.751 -10.983 -7.177 1.00 0.00 C ATOM 1171 NZ LYS A 77 -7.819 -12.107 -7.008 1.00 0.00 N ATOM 0 H LYS A 77 -4.431 -11.001 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.329 -8.493 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.289 -9.602 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.880 -10.942 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.720 -9.578 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.107 -8.180 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.727 -8.868 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.354 -9.748 -8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.382 -10.898 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.411 -11.181 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.269 -12.984 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.957 -11.930 -7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.570 -12.203 -6.003 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.408 -7.693 -4.024 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.370 -7.161 -3.071 1.00 0.00 C ATOM 1187 C PHE A 78 -8.276 -6.301 -3.962 1.00 0.00 C ATOM 1188 O PHE A 78 -8.017 -5.964 -5.078 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.733 -6.366 -1.983 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.517 -6.832 -1.277 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -5.746 -7.782 -0.271 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -4.200 -6.521 -1.412 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.716 -8.310 0.442 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -3.203 -7.084 -0.663 1.00 0.00 C ATOM 1195 CZ PHE A 78 -3.421 -7.915 0.186 1.00 0.00 C ATOM 0 H PHE A 78 -6.144 -7.061 -4.779 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.904 -7.942 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.496 -5.389 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.497 -6.207 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.757 -8.099 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.925 -5.786 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.913 -9.041 1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.183 -6.774 -0.837 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.603 -8.347 0.743 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.406 -5.983 -3.269 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.421 -5.175 -3.854 1.00 0.00 C ATOM 1207 C LYS A 79 -11.587 -4.760 -2.958 1.00 0.00 C ATOM 1208 O LYS A 79 -11.929 -5.462 -2.041 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.998 -6.145 -4.937 1.00 0.00 C ATOM 1210 CG LYS A 79 -12.123 -5.525 -5.702 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.530 -6.165 -7.056 1.00 0.00 C ATOM 1212 CE LYS A 79 -11.519 -7.032 -7.772 1.00 0.00 C ATOM 1213 NZ LYS A 79 -12.120 -8.275 -8.304 1.00 0.00 N ATOM 0 H LYS A 79 -9.601 -6.289 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.987 -4.226 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.204 -6.431 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.347 -7.059 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.002 -5.522 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.863 -4.483 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.422 -6.767 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.815 -5.359 -7.732 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.075 -6.467 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.711 -7.287 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.389 -8.836 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.521 -8.829 -7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.873 -8.035 -8.980 1.00 0.00 H new ATOM 1227 N ARG A 80 -12.156 -3.600 -3.327 1.00 0.00 N ATOM 1228 CA ARG A 80 -13.288 -3.123 -2.551 1.00 0.00 C ATOM 1229 C ARG A 80 -14.571 -3.398 -3.389 1.00 0.00 C ATOM 1230 O ARG A 80 -15.064 -2.472 -3.988 1.00 0.00 O ATOM 1231 CB ARG A 80 -13.183 -1.690 -2.057 1.00 0.00 C ATOM 1232 CG ARG A 80 -12.431 -0.853 -3.074 1.00 0.00 C ATOM 1233 CD ARG A 80 -12.144 0.583 -2.575 1.00 0.00 C ATOM 1234 NE ARG A 80 -13.407 1.273 -2.517 1.00 0.00 N ATOM 1235 CZ ARG A 80 -13.828 1.962 -1.447 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -13.162 2.096 -0.317 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -15.023 2.537 -1.583 1.00 0.00 N ATOM 0 H ARG A 80 -11.867 -3.014 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.318 -3.674 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.179 -1.277 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.668 -1.663 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -11.488 -1.344 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.010 -0.803 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.671 0.562 -1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.457 1.094 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.015 1.235 -3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.249 1.655 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.560 2.641 0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.543 2.433 -2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.418 3.080 -0.815 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.890 -4.697 -3.277 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.004 -5.338 -3.901 1.00 0.00 C ATOM 1253 C VAL A 81 -17.153 -4.367 -4.299 1.00 0.00 C ATOM 1254 O VAL A 81 -17.669 -4.623 -5.367 1.00 0.00 O ATOM 1255 CB VAL A 81 -16.619 -6.415 -3.035 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -15.760 -7.678 -2.989 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -16.828 -6.066 -1.530 1.00 0.00 C ATOM 0 H VAL A 81 -14.334 -5.341 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 81 -15.567 -5.769 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.585 -6.542 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -16.242 -8.423 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -15.646 -8.078 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -14.778 -7.436 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -17.275 -6.918 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.866 -5.832 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.489 -5.204 -1.445 1.00 0.00 H new ATOM 1267 N ASP A 82 -17.342 -3.434 -3.364 1.00 0.00 N ATOM 1268 CA ASP A 82 -18.364 -2.418 -3.529 1.00 0.00 C ATOM 1269 C ASP A 82 -18.320 -1.949 -4.982 1.00 0.00 C ATOM 1270 O ASP A 82 -19.416 -1.873 -5.540 1.00 0.00 O ATOM 1271 CB ASP A 82 -18.034 -1.256 -2.578 1.00 0.00 C ATOM 1272 CG ASP A 82 -18.035 -1.787 -1.156 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -17.019 -2.284 -0.708 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -19.025 -1.720 -0.460 1.00 0.00 O ATOM 0 H ASP A 82 -16.806 -3.367 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 82 -19.359 -2.798 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.061 -0.830 -2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.768 -0.458 -2.685 1.00 0.00 H new ATOM 1279 N ASN A 83 -17.103 -1.666 -5.482 1.00 0.00 N ATOM 1280 CA ASN A 83 -17.078 -1.215 -6.852 1.00 0.00 C ATOM 1281 C ASN A 83 -16.430 -2.204 -7.796 1.00 0.00 C ATOM 1282 O ASN A 83 -16.387 -1.875 -8.980 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.201 0.050 -6.934 1.00 0.00 C ATOM 1284 CG ASN A 83 -17.010 1.306 -6.657 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -17.811 1.787 -7.449 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -16.735 1.817 -5.449 1.00 0.00 N ATOM 0 H ASN A 83 -16.208 -1.737 -4.997 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.118 -1.060 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.385 -0.024 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.749 0.118 -7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.207 2.665 -5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -16.054 1.358 -4.844 1.00 0.00 H new ATOM 1293 N GLY A 84 -15.959 -3.351 -7.278 1.00 0.00 N ATOM 1294 CA GLY A 84 -15.341 -4.256 -8.259 1.00 0.00 C ATOM 1295 C GLY A 84 -14.091 -3.432 -8.692 1.00 0.00 C ATOM 1296 O GLY A 84 -13.681 -3.482 -9.835 1.00 0.00 O ATOM 0 H GLY A 84 -15.984 -3.651 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.068 -5.215 -7.818 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.004 -4.468 -9.098 1.00 0.00 H new ATOM 1300 N LYS A 85 -13.674 -2.763 -7.605 1.00 0.00 N ATOM 1301 CA LYS A 85 -12.529 -1.900 -7.662 1.00 0.00 C ATOM 1302 C LYS A 85 -11.166 -2.527 -7.917 1.00 0.00 C ATOM 1303 O LYS A 85 -10.881 -2.517 -9.117 1.00 0.00 O ATOM 1304 CB LYS A 85 -12.520 -1.244 -6.279 1.00 0.00 C ATOM 1305 CG LYS A 85 -11.215 -0.519 -5.979 1.00 0.00 C ATOM 1306 CD LYS A 85 -11.407 1.001 -5.927 1.00 0.00 C ATOM 1307 CE LYS A 85 -11.923 1.644 -7.207 1.00 0.00 C ATOM 1308 NZ LYS A 85 -12.957 2.631 -6.869 1.00 0.00 N ATOM 0 H LYS A 85 -14.123 -2.816 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.645 -1.247 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.347 -0.537 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.690 -2.007 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.816 -0.868 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.478 -0.766 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.101 1.234 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.453 1.461 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.104 2.126 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.333 0.883 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.313 3.073 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.741 2.158 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.550 3.362 -6.251 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.515 -2.966 -6.843 1.00 0.00 N ATOM 1323 CA GLU A 86 -9.213 -3.558 -6.955 1.00 0.00 C ATOM 1324 C GLU A 86 -8.179 -2.673 -6.183 1.00 0.00 C ATOM 1325 O GLU A 86 -8.286 -1.485 -6.422 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.680 -3.867 -8.320 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.466 -4.926 -9.122 1.00 0.00 C ATOM 1328 CD GLU A 86 -9.143 -4.952 -10.589 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -8.067 -4.774 -11.116 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -10.113 -5.192 -11.325 1.00 0.00 O ATOM 0 H GLU A 86 -10.879 -2.917 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.353 -4.547 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.657 -2.943 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.649 -4.206 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.263 -5.910 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.533 -4.740 -9.000 1.00 0.00 H new ATOM 1337 N LEU A 87 -7.375 -3.368 -5.409 1.00 0.00 N ATOM 1338 CA LEU A 87 -6.313 -2.838 -4.565 1.00 0.00 C ATOM 1339 C LEU A 87 -5.254 -3.900 -4.335 1.00 0.00 C ATOM 1340 O LEU A 87 -4.795 -4.022 -3.232 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.924 -2.294 -3.265 1.00 0.00 C ATOM 1342 CG LEU A 87 -6.258 -0.982 -2.822 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -7.318 0.057 -2.371 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -5.260 -1.096 -1.680 1.00 0.00 C ATOM 0 H LEU A 87 -7.445 -4.383 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.810 -2.005 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.992 -2.129 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.819 -3.038 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.712 -0.675 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.819 0.976 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.993 0.271 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.888 -0.345 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.854 -0.111 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.761 -1.495 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.449 -1.764 -1.970 1.00 0.00 H new ATOM 1356 N ILE A 88 -5.007 -4.540 -5.454 1.00 0.00 N ATOM 1357 CA ILE A 88 -4.037 -5.623 -5.531 1.00 0.00 C ATOM 1358 C ILE A 88 -2.658 -4.945 -5.301 1.00 0.00 C ATOM 1359 O ILE A 88 -2.723 -3.748 -5.296 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.109 -6.127 -6.971 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.528 -6.597 -7.329 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.145 -7.211 -7.372 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -6.051 -6.089 -8.681 1.00 0.00 C ATOM 0 H ILE A 88 -5.469 -4.330 -6.339 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.203 -6.435 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.810 -5.243 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.544 -7.687 -7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.212 -6.272 -6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.306 -7.473 -8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.123 -6.856 -7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.307 -8.091 -6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.058 -6.471 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.072 -4.999 -8.677 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.394 -6.436 -9.479 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.656 -5.813 -5.159 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.285 -5.385 -4.939 1.00 0.00 C ATOM 1377 C ALA A 89 0.626 -6.419 -5.575 1.00 0.00 C ATOM 1378 O ALA A 89 1.260 -7.212 -4.901 1.00 0.00 O ATOM 1379 CB ALA A 89 0.045 -5.288 -3.429 1.00 0.00 C ATOM 0 H ALA A 89 -1.776 -6.825 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.144 -4.397 -5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.078 -4.965 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.621 -4.566 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.090 -6.264 -2.964 1.00 0.00 H new ATOM 1385 N VAL A 90 0.627 -6.332 -6.909 1.00 0.00 N ATOM 1386 CA VAL A 90 1.434 -7.234 -7.657 1.00 0.00 C ATOM 1387 C VAL A 90 2.876 -6.886 -7.233 1.00 0.00 C ATOM 1388 O VAL A 90 3.239 -5.717 -7.348 1.00 0.00 O ATOM 1389 CB VAL A 90 1.360 -6.988 -9.153 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.752 -7.231 -9.814 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.517 -7.943 -9.970 1.00 0.00 C ATOM 0 H VAL A 90 0.089 -5.661 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 90 1.114 -8.259 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 90 0.951 -5.978 -9.176 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.682 -7.050 -10.887 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.485 -6.552 -9.379 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.063 -8.261 -9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.552 -7.652 -11.020 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.905 -8.956 -9.861 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.514 -7.910 -9.619 1.00 0.00 H new ATOM 1401 N ARG A 91 3.639 -7.893 -6.769 1.00 0.00 N ATOM 1402 CA ARG A 91 4.951 -7.410 -6.421 1.00 0.00 C ATOM 1403 C ARG A 91 5.985 -8.468 -6.192 1.00 0.00 C ATOM 1404 O ARG A 91 5.651 -9.557 -5.843 1.00 0.00 O ATOM 1405 CB ARG A 91 4.877 -6.624 -5.093 1.00 0.00 C ATOM 1406 CG ARG A 91 6.203 -6.305 -4.438 1.00 0.00 C ATOM 1407 CD ARG A 91 7.161 -5.307 -5.108 1.00 0.00 C ATOM 1408 NE ARG A 91 6.628 -4.904 -6.392 1.00 0.00 N ATOM 1409 CZ ARG A 91 7.392 -4.693 -7.476 1.00 0.00 C ATOM 1410 NH1 ARG A 91 8.709 -4.825 -7.516 1.00 0.00 N ATOM 1411 NH2 ARG A 91 6.791 -4.318 -8.620 1.00 0.00 N ATOM 0 H ARG A 91 3.413 -8.880 -6.645 1.00 0.00 H new ATOM 0 HA ARG A 91 5.250 -6.814 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.350 -5.688 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.274 -7.196 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.990 -5.931 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.742 -7.245 -4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.296 -4.434 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.143 -5.762 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 91 5.620 -4.774 -6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.219 -5.107 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.214 -4.644 -8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.778 -4.200 -8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.348 -4.151 -9.458 1.00 0.00 H new ATOM 1425 N GLU A 92 7.217 -7.951 -6.447 1.00 0.00 N ATOM 1426 CA GLU A 92 8.342 -8.821 -6.275 1.00 0.00 C ATOM 1427 C GLU A 92 9.526 -7.947 -5.844 1.00 0.00 C ATOM 1428 O GLU A 92 9.946 -7.142 -6.668 1.00 0.00 O ATOM 1429 CB GLU A 92 8.603 -9.478 -7.611 1.00 0.00 C ATOM 1430 CG GLU A 92 7.363 -9.660 -8.531 1.00 0.00 C ATOM 1431 CD GLU A 92 7.815 -10.545 -9.693 1.00 0.00 C ATOM 1432 OE1 GLU A 92 8.908 -10.257 -10.216 1.00 0.00 O ATOM 1433 OE2 GLU A 92 7.092 -11.469 -10.039 1.00 0.00 O ATOM 0 H GLU A 92 7.420 -6.999 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 92 8.176 -9.593 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.345 -8.886 -8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.046 -10.458 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.540 -10.124 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.003 -8.697 -8.893 1.00 0.00 H new ATOM 1440 N ILE A 93 9.933 -8.200 -4.600 1.00 0.00 N ATOM 1441 CA ILE A 93 11.053 -7.484 -3.984 1.00 0.00 C ATOM 1442 C ILE A 93 12.206 -7.411 -4.971 1.00 0.00 C ATOM 1443 O ILE A 93 12.793 -8.452 -5.308 1.00 0.00 O ATOM 1444 CB ILE A 93 11.395 -7.967 -2.575 1.00 0.00 C ATOM 1445 CG1 ILE A 93 12.912 -7.810 -2.302 1.00 0.00 C ATOM 1446 CG2 ILE A 93 11.149 -9.440 -2.295 1.00 0.00 C ATOM 1447 CD1 ILE A 93 13.291 -6.380 -1.988 1.00 0.00 C ATOM 0 H ILE A 93 9.502 -8.899 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 93 10.756 -6.455 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 93 10.739 -7.357 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.198 -8.451 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.473 -8.150 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.428 -9.666 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.093 -9.667 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.749 -10.045 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.364 -6.320 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.031 -5.741 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.752 -6.047 -1.101 1.00 0.00 H new ATOM 1459 N SER A 94 12.435 -6.153 -5.370 1.00 0.00 N ATOM 1460 CA SER A 94 13.502 -5.941 -6.309 1.00 0.00 C ATOM 1461 C SER A 94 14.914 -6.189 -5.811 1.00 0.00 C ATOM 1462 O SER A 94 15.406 -7.306 -5.938 1.00 0.00 O ATOM 1463 CB SER A 94 13.384 -4.529 -6.938 1.00 0.00 C ATOM 1464 OG SER A 94 13.295 -3.537 -5.993 1.00 0.00 O ATOM 0 H SER A 94 11.922 -5.324 -5.070 1.00 0.00 H new ATOM 0 HA SER A 94 13.357 -6.720 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.250 -4.344 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.504 -4.494 -7.581 1.00 0.00 H new ATOM 0 HG SER A 94 13.173 -3.939 -5.107 1.00 0.00 H new ATOM 1470 N GLY A 95 15.536 -5.137 -5.261 1.00 0.00 N ATOM 1471 CA GLY A 95 16.891 -5.384 -4.799 1.00 0.00 C ATOM 1472 C GLY A 95 17.039 -4.729 -3.417 1.00 0.00 C ATOM 1473 O GLY A 95 17.236 -3.546 -3.292 1.00 0.00 O ATOM 0 H GLY A 95 15.162 -4.196 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.085 -6.455 -4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.616 -4.968 -5.499 1.00 0.00 H new ATOM 1477 N ASN A 96 16.914 -5.699 -2.493 1.00 0.00 N ATOM 1478 CA ASN A 96 16.997 -5.482 -1.069 1.00 0.00 C ATOM 1479 C ASN A 96 16.027 -4.362 -0.659 1.00 0.00 C ATOM 1480 O ASN A 96 16.253 -3.762 0.403 1.00 0.00 O ATOM 1481 CB ASN A 96 18.468 -5.171 -0.778 1.00 0.00 C ATOM 1482 CG ASN A 96 19.276 -6.052 -1.733 1.00 0.00 C ATOM 1483 OD1 ASN A 96 19.723 -5.630 -2.777 1.00 0.00 O ATOM 1484 ND2 ASN A 96 19.381 -7.293 -1.226 1.00 0.00 N ATOM 0 H ASN A 96 16.749 -6.675 -2.740 1.00 0.00 H new ATOM 0 HA ASN A 96 16.695 -6.349 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.685 -4.115 -0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.716 -5.390 0.261 1.00 0.00 H new ATOM 0 HD21 ASN A 96 19.889 -8.013 -1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 96 18.952 -7.515 -0.327 1.00 0.00 H new ATOM 1491 N GLU A 97 15.026 -4.163 -1.501 1.00 0.00 N ATOM 1492 CA GLU A 97 14.017 -3.179 -1.284 1.00 0.00 C ATOM 1493 C GLU A 97 12.854 -3.407 -2.306 1.00 0.00 C ATOM 1494 O GLU A 97 13.146 -3.600 -3.456 1.00 0.00 O ATOM 1495 CB GLU A 97 14.468 -1.731 -1.153 1.00 0.00 C ATOM 1496 CG GLU A 97 15.885 -1.513 -1.721 1.00 0.00 C ATOM 1497 CD GLU A 97 16.287 -0.046 -1.733 1.00 0.00 C ATOM 1498 OE1 GLU A 97 15.860 0.647 -2.664 1.00 0.00 O ATOM 1499 OE2 GLU A 97 17.003 0.361 -0.831 1.00 0.00 O ATOM 0 H GLU A 97 14.904 -4.696 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 97 13.650 -3.342 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.764 -1.084 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.450 -1.439 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 97 16.603 -2.078 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.931 -1.908 -2.736 1.00 0.00 H new ATOM 1506 N LEU A 98 11.701 -3.335 -1.655 1.00 0.00 N ATOM 1507 CA LEU A 98 10.461 -3.506 -2.361 1.00 0.00 C ATOM 1508 C LEU A 98 9.741 -2.216 -2.770 1.00 0.00 C ATOM 1509 O LEU A 98 9.733 -1.245 -2.036 1.00 0.00 O ATOM 1510 CB LEU A 98 9.590 -4.289 -1.361 1.00 0.00 C ATOM 1511 CG LEU A 98 8.462 -5.101 -1.976 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.224 -6.377 -1.188 1.00 0.00 C ATOM 1513 CD2 LEU A 98 7.168 -4.280 -1.734 1.00 0.00 C ATOM 0 H LEU A 98 11.609 -3.162 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 98 10.649 -3.999 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.233 -4.963 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.161 -3.584 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 98 8.702 -5.316 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.412 -6.942 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.132 -6.980 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.957 -6.126 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.315 -4.813 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.018 -4.144 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.260 -3.306 -2.214 1.00 0.00 H new ATOM 1525 N ILE A 99 9.170 -2.366 -4.000 1.00 0.00 N ATOM 1526 CA ILE A 99 8.433 -1.351 -4.641 1.00 0.00 C ATOM 1527 C ILE A 99 7.003 -1.428 -4.069 1.00 0.00 C ATOM 1528 O ILE A 99 6.794 -0.669 -3.134 1.00 0.00 O ATOM 1529 CB ILE A 99 8.429 -1.603 -6.170 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.802 -1.189 -6.726 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.409 -0.636 -6.767 1.00 0.00 C ATOM 1532 CD1 ILE A 99 9.939 -1.422 -8.220 1.00 0.00 C ATOM 0 H ILE A 99 9.237 -3.227 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 99 8.863 -0.364 -4.471 1.00 0.00 H new ATOM 0 HB ILE A 99 8.207 -2.645 -6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.969 -0.133 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.580 -1.747 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.367 -0.773 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.427 -0.833 -6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.704 0.389 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.930 -1.109 -8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.803 -2.481 -8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.182 -0.843 -8.749 1.00 0.00 H new ATOM 1544 N GLN A 100 6.204 -2.318 -4.676 1.00 0.00 N ATOM 1545 CA GLN A 100 4.803 -2.544 -4.275 1.00 0.00 C ATOM 1546 C GLN A 100 4.067 -1.571 -5.228 1.00 0.00 C ATOM 1547 O GLN A 100 4.126 -0.380 -5.056 1.00 0.00 O ATOM 1548 CB GLN A 100 4.516 -2.345 -2.809 1.00 0.00 C ATOM 1549 CG GLN A 100 3.647 -3.352 -2.065 1.00 0.00 C ATOM 1550 CD GLN A 100 4.016 -3.235 -0.569 1.00 0.00 C ATOM 1551 OE1 GLN A 100 4.504 -2.213 -0.111 1.00 0.00 O ATOM 1552 NE2 GLN A 100 3.714 -4.380 0.087 1.00 0.00 N ATOM 0 H GLN A 100 6.507 -2.901 -5.456 1.00 0.00 H new ATOM 0 HA GLN A 100 4.481 -3.581 -4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 100 5.475 -2.299 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.048 -1.367 -2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.589 -3.140 -2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.827 -4.363 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.306 -5.166 -0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.894 -4.457 1.088 1.00 0.00 H new ATOM 1561 N THR A 101 3.413 -2.243 -6.187 1.00 0.00 N ATOM 1562 CA THR A 101 2.653 -1.595 -7.201 1.00 0.00 C ATOM 1563 C THR A 101 1.280 -1.062 -6.873 1.00 0.00 C ATOM 1564 O THR A 101 0.878 -0.019 -7.316 1.00 0.00 O ATOM 1565 CB THR A 101 2.423 -2.395 -8.507 1.00 0.00 C ATOM 1566 OG1 THR A 101 2.019 -3.682 -8.236 1.00 0.00 O ATOM 1567 CG2 THR A 101 3.549 -2.319 -9.555 1.00 0.00 C ATOM 0 H THR A 101 3.413 -3.261 -6.258 1.00 0.00 H new ATOM 0 HA THR A 101 3.354 -0.768 -7.317 1.00 0.00 H new ATOM 0 HB THR A 101 1.605 -1.879 -9.009 1.00 0.00 H new ATOM 0 HG1 THR A 101 2.805 -4.263 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.277 -2.917 -10.425 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.694 -1.282 -9.858 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.473 -2.704 -9.124 1.00 0.00 H new ATOM 1575 N TYR A 102 0.623 -1.876 -6.063 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.716 -1.462 -5.674 1.00 0.00 C ATOM 1577 C TYR A 102 -1.531 -1.392 -6.994 1.00 0.00 C ATOM 1578 O TYR A 102 -2.112 -0.361 -7.214 1.00 0.00 O ATOM 1579 CB TYR A 102 -0.735 -0.128 -5.000 1.00 0.00 C ATOM 1580 CG TYR A 102 0.174 -0.018 -3.818 1.00 0.00 C ATOM 1581 CD1 TYR A 102 0.411 -0.945 -2.849 1.00 0.00 C ATOM 1582 CD2 TYR A 102 0.881 1.164 -3.663 1.00 0.00 C ATOM 1583 CE1 TYR A 102 1.281 -0.712 -1.803 1.00 0.00 C ATOM 1584 CE2 TYR A 102 1.748 1.357 -2.616 1.00 0.00 C ATOM 1585 CZ TYR A 102 1.941 0.526 -1.765 1.00 0.00 C ATOM 1586 OH TYR A 102 2.823 0.817 -0.758 1.00 0.00 O ATOM 0 H TYR A 102 0.960 -2.762 -5.685 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.130 -2.168 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.459 0.636 -5.727 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.754 0.089 -4.680 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.099 -1.895 -2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.746 1.955 -4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.448 -1.457 -1.039 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.280 2.295 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 102 3.246 -0.010 -0.445 1.00 0.00 H new ATOM 1596 N THR A 103 -1.428 -2.563 -7.677 1.00 0.00 N ATOM 1597 CA THR A 103 -2.131 -2.712 -8.968 1.00 0.00 C ATOM 1598 C THR A 103 -3.555 -2.302 -8.564 1.00 0.00 C ATOM 1599 O THR A 103 -4.180 -2.950 -7.737 1.00 0.00 O ATOM 1600 CB THR A 103 -1.999 -4.055 -9.603 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.720 -4.389 -10.135 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.923 -4.291 -10.826 1.00 0.00 C ATOM 0 H THR A 103 -0.893 -3.376 -7.372 1.00 0.00 H new ATOM 0 HA THR A 103 -1.719 -2.107 -9.776 1.00 0.00 H new ATOM 0 HB THR A 103 -2.251 -4.662 -8.733 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.789 -5.214 -10.660 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.756 -5.294 -11.220 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.964 -4.190 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.699 -3.556 -11.599 1.00 0.00 H new ATOM 1610 N TYR A 104 -3.907 -1.197 -9.246 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.224 -0.659 -8.977 1.00 0.00 C ATOM 1612 C TYR A 104 -5.865 -0.080 -10.191 1.00 0.00 C ATOM 1613 O TYR A 104 -5.239 0.607 -11.008 1.00 0.00 O ATOM 1614 CB TYR A 104 -4.969 0.322 -7.795 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.138 1.095 -7.321 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -6.675 2.102 -8.132 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.794 0.939 -6.125 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -7.754 2.844 -7.736 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -7.877 1.711 -5.783 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.307 2.677 -6.677 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.370 3.464 -6.377 1.00 0.00 O ATOM 0 H TYR A 104 -3.339 -0.701 -9.933 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.967 -1.406 -8.698 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.573 -0.249 -6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.193 1.026 -8.096 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.226 2.298 -9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.448 0.186 -5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.126 3.611 -8.399 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.382 1.568 -4.839 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.684 3.914 -7.189 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.155 -0.389 -10.291 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.018 0.031 -11.370 1.00 0.00 C ATOM 1633 C GLU A 105 -7.389 0.063 -12.748 1.00 0.00 C ATOM 1634 O GLU A 105 -7.730 0.945 -13.546 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.546 1.426 -10.976 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.078 1.306 -10.878 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.746 2.673 -10.986 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -10.029 3.675 -10.789 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.950 2.725 -11.257 1.00 0.00 O ATOM 0 H GLU A 105 -7.636 -0.958 -9.595 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.806 -0.714 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.121 1.746 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.263 2.171 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.446 0.655 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.349 0.840 -9.931 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.467 -0.888 -13.042 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.877 -0.837 -14.361 1.00 0.00 C ATOM 1648 C GLY A 106 -4.850 0.230 -14.616 1.00 0.00 C ATOM 1649 O GLY A 106 -4.590 0.557 -15.787 1.00 0.00 O ATOM 0 H GLY A 106 -6.149 -1.635 -12.425 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.416 -1.804 -14.562 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.681 -0.711 -15.086 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.251 0.795 -13.556 1.00 0.00 N ATOM 1654 CA VAL A 107 -3.269 1.819 -13.732 1.00 0.00 C ATOM 1655 C VAL A 107 -1.940 1.624 -13.005 1.00 0.00 C ATOM 1656 O VAL A 107 -0.997 2.266 -13.421 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.892 3.127 -13.185 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -3.073 4.353 -13.557 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -5.288 3.348 -13.716 1.00 0.00 C ATOM 0 H VAL A 107 -4.443 0.547 -12.585 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.025 1.818 -14.794 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.911 3.004 -12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.549 5.246 -13.151 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.069 4.258 -13.144 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.013 4.435 -14.642 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.690 4.276 -13.309 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.258 3.413 -14.804 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.926 2.515 -13.420 1.00 0.00 H new ATOM 1669 N GLU A 108 -1.971 0.757 -11.974 1.00 0.00 N ATOM 1670 CA GLU A 108 -0.757 0.475 -11.183 1.00 0.00 C ATOM 1671 C GLU A 108 -0.397 1.766 -10.442 1.00 0.00 C ATOM 1672 O GLU A 108 -0.995 2.810 -10.662 1.00 0.00 O ATOM 1673 CB GLU A 108 0.333 -0.069 -12.070 1.00 0.00 C ATOM 1674 CG GLU A 108 0.337 -1.616 -11.989 1.00 0.00 C ATOM 1675 CD GLU A 108 1.412 -2.234 -12.859 1.00 0.00 C ATOM 1676 OE1 GLU A 108 1.268 -2.313 -14.063 1.00 0.00 O ATOM 1677 OE2 GLU A 108 2.422 -2.645 -12.255 1.00 0.00 O ATOM 0 H GLU A 108 -2.804 0.250 -11.674 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.915 -0.306 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.174 0.252 -13.099 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.301 0.325 -11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.489 -1.923 -10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.638 -1.996 -12.294 1.00 0.00 H new ATOM 1684 N ALA A 109 0.617 1.612 -9.557 1.00 0.00 N ATOM 1685 CA ALA A 109 1.021 2.763 -8.822 1.00 0.00 C ATOM 1686 C ALA A 109 2.254 2.541 -7.934 1.00 0.00 C ATOM 1687 O ALA A 109 2.111 2.316 -6.755 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.090 2.999 -7.766 1.00 0.00 C ATOM 0 H ALA A 109 1.123 0.748 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 109 1.215 3.549 -9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.160 3.873 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.042 3.165 -8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.170 2.125 -7.120 1.00 0.00 H new ATOM 1694 N LYS A 110 3.358 2.634 -8.645 1.00 0.00 N ATOM 1695 CA LYS A 110 4.576 2.443 -7.922 1.00 0.00 C ATOM 1696 C LYS A 110 5.131 3.803 -7.512 1.00 0.00 C ATOM 1697 O LYS A 110 5.403 4.641 -8.365 1.00 0.00 O ATOM 1698 CB LYS A 110 5.659 1.724 -8.740 1.00 0.00 C ATOM 1699 CG LYS A 110 4.990 1.078 -9.954 1.00 0.00 C ATOM 1700 CD LYS A 110 5.883 0.130 -10.790 1.00 0.00 C ATOM 1701 CE LYS A 110 5.706 0.264 -12.298 1.00 0.00 C ATOM 1702 NZ LYS A 110 5.737 -1.021 -13.002 1.00 0.00 N ATOM 0 H LYS A 110 3.432 2.826 -9.644 1.00 0.00 H new ATOM 0 HA LYS A 110 4.333 1.820 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.426 2.430 -9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.155 0.968 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.120 0.518 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.622 1.870 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.927 0.320 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.669 -0.899 -10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.757 0.760 -12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.493 0.906 -12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.611 -0.861 -14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.652 -1.487 -12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.970 -1.628 -12.650 1.00 0.00 H new ATOM 1716 N ARG A 111 5.239 3.865 -6.193 1.00 0.00 N ATOM 1717 CA ARG A 111 5.766 5.119 -5.654 1.00 0.00 C ATOM 1718 C ARG A 111 7.296 4.868 -5.533 1.00 0.00 C ATOM 1719 O ARG A 111 8.062 5.802 -5.726 1.00 0.00 O ATOM 1720 CB ARG A 111 5.110 5.404 -4.310 1.00 0.00 C ATOM 1721 CG ARG A 111 3.574 5.257 -4.365 1.00 0.00 C ATOM 1722 CD ARG A 111 2.976 6.282 -5.315 1.00 0.00 C ATOM 1723 NE ARG A 111 3.249 7.560 -4.702 1.00 0.00 N ATOM 1724 CZ ARG A 111 2.296 8.329 -4.184 1.00 0.00 C ATOM 1725 NH1 ARG A 111 0.995 8.052 -4.141 1.00 0.00 N ATOM 1726 NH2 ARG A 111 2.660 9.512 -3.643 1.00 0.00 N ATOM 0 H ARG A 111 4.995 3.136 -5.523 1.00 0.00 H new ATOM 0 HA ARG A 111 5.564 5.991 -6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.511 4.722 -3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.365 6.415 -3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.310 4.251 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.154 5.388 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.428 6.214 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.905 6.125 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 111 4.214 7.887 -4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.647 7.176 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.346 8.716 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.641 9.791 -3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.954 10.126 -3.237 1.00 0.00 H new ATOM 1740 N ILE A 112 7.553 3.577 -5.213 1.00 0.00 N ATOM 1741 CA ILE A 112 8.952 3.225 -5.070 1.00 0.00 C ATOM 1742 C ILE A 112 9.398 3.606 -3.637 1.00 0.00 C ATOM 1743 O ILE A 112 9.355 4.756 -3.271 1.00 0.00 O ATOM 1744 CB ILE A 112 9.887 3.729 -6.139 1.00 0.00 C ATOM 1745 CG1 ILE A 112 10.874 2.625 -6.607 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.836 4.839 -5.719 1.00 0.00 C ATOM 1747 CD1 ILE A 112 11.819 2.069 -5.543 1.00 0.00 C ATOM 0 H ILE A 112 6.869 2.835 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 112 9.026 2.148 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 112 9.182 4.076 -6.894 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.294 1.798 -7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 112 11.475 3.026 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.461 5.123 -6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.261 5.703 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.468 4.488 -4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 112 12.459 1.307 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 112 12.436 2.876 -5.147 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.237 1.628 -4.734 1.00 0.00 H new ATOM 1759 N PHE A 113 9.795 2.527 -2.981 1.00 0.00 N ATOM 1760 CA PHE A 113 10.258 2.693 -1.626 1.00 0.00 C ATOM 1761 C PHE A 113 11.453 1.723 -1.447 1.00 0.00 C ATOM 1762 O PHE A 113 12.135 1.558 -2.444 1.00 0.00 O ATOM 1763 CB PHE A 113 9.250 2.493 -0.527 1.00 0.00 C ATOM 1764 CG PHE A 113 7.944 3.192 -0.656 1.00 0.00 C ATOM 1765 CD1 PHE A 113 7.784 4.531 -0.331 1.00 0.00 C ATOM 1766 CD2 PHE A 113 6.811 2.507 -1.108 1.00 0.00 C ATOM 1767 CE1 PHE A 113 6.520 5.073 -0.487 1.00 0.00 C ATOM 1768 CE2 PHE A 113 5.603 3.162 -1.224 1.00 0.00 C ATOM 1769 CZ PHE A 113 5.445 4.322 -0.948 1.00 0.00 C ATOM 0 H PHE A 113 9.805 1.575 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 113 10.523 3.744 -1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 113 9.052 1.424 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.708 2.807 0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.611 5.126 0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.883 1.461 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.364 6.113 -0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.752 2.602 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.472 4.778 -1.058 1.00 0.00 H new ATOM 1779 N LYS A 114 11.557 1.223 -0.238 1.00 0.00 N ATOM 1780 CA LYS A 114 12.637 0.305 0.064 1.00 0.00 C ATOM 1781 C LYS A 114 12.456 -0.349 1.437 1.00 0.00 C ATOM 1782 O LYS A 114 11.375 -0.655 1.919 1.00 0.00 O ATOM 1783 CB LYS A 114 13.977 0.986 -0.168 1.00 0.00 C ATOM 1784 CG LYS A 114 14.297 2.259 0.629 1.00 0.00 C ATOM 1785 CD LYS A 114 13.445 2.374 1.925 1.00 0.00 C ATOM 1786 CE LYS A 114 13.314 3.795 2.486 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.440 4.852 1.491 1.00 0.00 N ATOM 0 H LYS A 114 10.926 1.427 0.537 1.00 0.00 H new ATOM 0 HA LYS A 114 12.614 -0.538 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.760 0.258 0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 114 14.045 1.232 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 114 15.355 2.265 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 114 14.119 3.132 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 114 12.447 1.985 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.886 1.736 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.346 3.890 2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 114 14.076 3.941 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.157 5.760 1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 14.428 4.911 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.825 4.640 0.679 1.00 0.00 H new ATOM 1801 N LYS A 115 13.581 -0.580 2.089 1.00 0.00 N ATOM 1802 CA LYS A 115 13.678 -1.196 3.404 1.00 0.00 C ATOM 1803 C LYS A 115 14.521 -0.384 4.344 1.00 0.00 C ATOM 1804 O LYS A 115 14.104 0.050 5.401 1.00 0.00 O ATOM 1805 CB LYS A 115 14.259 -2.596 3.185 1.00 0.00 C ATOM 1806 CG LYS A 115 14.140 -3.307 4.556 1.00 0.00 C ATOM 1807 CD LYS A 115 15.311 -4.273 4.777 1.00 0.00 C ATOM 1808 CE LYS A 115 14.970 -5.408 5.734 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.119 -6.022 6.341 1.00 0.00 N ATOM 0 H LYS A 115 14.492 -0.334 1.702 1.00 0.00 H new ATOM 0 HA LYS A 115 12.697 -1.252 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.708 -3.134 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.297 -2.544 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.120 -2.565 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.198 -3.854 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.616 -4.692 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.164 -3.719 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.318 -5.025 6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.406 -6.169 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.810 -6.784 6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.733 -6.418 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.647 -5.309 6.884 1.00 0.00 H new ATOM 1823 N GLU A 116 15.771 -0.217 3.854 1.00 0.00 N ATOM 1824 CA GLU A 116 16.731 0.518 4.582 1.00 0.00 C ATOM 1825 C GLU A 116 18.095 0.648 3.864 1.00 0.00 C ATOM 1826 O GLU A 116 19.119 0.887 4.503 1.00 0.00 O ATOM 1827 CB GLU A 116 16.920 -0.188 5.961 1.00 0.00 C ATOM 1828 CG GLU A 116 16.390 0.518 7.191 1.00 0.00 C ATOM 1829 CD GLU A 116 17.059 -0.018 8.467 1.00 0.00 C ATOM 1830 OE1 GLU A 116 18.272 -0.192 8.447 1.00 0.00 O ATOM 1831 OE2 GLU A 116 16.363 -0.262 9.466 1.00 0.00 O ATOM 1832 OXT GLU A 116 18.084 0.508 2.640 1.00 0.00 O ATOM 0 H GLU A 116 16.099 -0.592 2.964 1.00 0.00 H new ATOM 0 HA GLU A 116 16.361 1.537 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 116 16.444 -1.167 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 116 17.986 -0.360 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 116 16.570 1.590 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 116 15.311 0.380 7.257 1.00 0.00 H new