USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 60 ASN : amide:sc= 0.35 K(o=0.58,f=-1.3) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.235 K(o=0.58,f=-0.29) USER MOD Set 2.1: A 22 THR OG1 : rot -109:sc= 0.673 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.746 K(o=1.4,f=0.0041) USER MOD Set 3.1: A 7 THR OG1 : rot 123:sc= 1.51 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.271 (180deg=-0.274) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0119 (180deg=-0.196) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.11) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.509 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 1.07 (180deg=1.01) USER MOD Single : A 31 GLN : amide:sc= 0.694 K(o=0.69,f=-0.34) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.786 K(o=0.79,f=-0.054) USER MOD Single : A 41 ASN : amide:sc= 0.758 K(o=0.76,f=-0.31) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.85! C(o=-1.9!,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot -67:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -175:sc= 1.17 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -101:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.142 -5.204 -0.192 1.00 0.00 N ATOM 2 CA MET A 1 14.167 -4.413 0.572 1.00 0.00 C ATOM 3 C MET A 1 12.777 -5.004 0.399 1.00 0.00 C ATOM 4 O MET A 1 12.257 -5.043 -0.716 1.00 0.00 O ATOM 5 CB MET A 1 14.168 -2.938 0.138 1.00 0.00 C ATOM 6 CG MET A 1 13.209 -2.106 0.999 1.00 0.00 C ATOM 7 SD MET A 1 13.176 -0.343 0.588 1.00 0.00 S ATOM 8 CE MET A 1 12.110 0.240 1.931 1.00 0.00 C ATOM 0 H1 MET A 1 16.091 -4.796 -0.071 1.00 0.00 H new ATOM 0 H2 MET A 1 15.140 -6.185 0.153 1.00 0.00 H new ATOM 0 H3 MET A 1 14.886 -5.191 -1.200 1.00 0.00 H new ATOM 0 HA MET A 1 14.454 -4.450 1.623 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.177 -2.533 0.218 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.877 -2.864 -0.910 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.202 -2.510 0.894 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.490 -2.218 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.958 1.315 1.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.148 -0.269 1.879 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.582 0.025 2.890 1.00 0.00 H new ATOM 18 N GLN A 2 12.172 -5.487 1.485 1.00 0.00 N ATOM 19 CA GLN A 2 10.829 -6.051 1.463 1.00 0.00 C ATOM 20 C GLN A 2 9.944 -5.245 2.417 1.00 0.00 C ATOM 21 O GLN A 2 10.447 -4.633 3.362 1.00 0.00 O ATOM 22 CB GLN A 2 10.852 -7.563 1.774 1.00 0.00 C ATOM 23 CG GLN A 2 11.538 -7.940 3.100 1.00 0.00 C ATOM 24 CD GLN A 2 11.313 -9.403 3.485 1.00 0.00 C ATOM 25 OE1 GLN A 2 12.217 -10.238 3.457 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.120 -9.749 3.937 1.00 0.00 N ATOM 0 H GLN A 2 12.606 -5.496 2.408 1.00 0.00 H new ATOM 0 HA GLN A 2 10.402 -5.973 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.826 -7.931 1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.359 -8.079 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.608 -7.751 3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.161 -7.297 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.366 -9.063 3.963 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.954 -10.702 4.259 1.00 0.00 H new ATOM 35 N ILE A 3 8.644 -5.178 2.136 1.00 0.00 N ATOM 36 CA ILE A 3 7.644 -4.487 2.953 1.00 0.00 C ATOM 37 C ILE A 3 6.452 -5.428 3.138 1.00 0.00 C ATOM 38 O ILE A 3 6.386 -6.482 2.493 1.00 0.00 O ATOM 39 CB ILE A 3 7.246 -3.110 2.374 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.553 -3.224 0.997 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.474 -2.181 2.340 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.822 -1.940 0.581 1.00 0.00 C ATOM 0 H ILE A 3 8.243 -5.617 1.307 1.00 0.00 H new ATOM 0 HA ILE A 3 8.069 -4.251 3.929 1.00 0.00 H new ATOM 0 HB ILE A 3 6.501 -2.666 3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.299 -3.471 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.840 -4.048 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.186 -1.213 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.858 -2.048 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.248 -2.624 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.357 -2.086 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.054 -1.704 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.535 -1.118 0.524 1.00 0.00 H new ATOM 54 N PHE A 4 5.519 -5.073 4.016 1.00 0.00 N ATOM 55 CA PHE A 4 4.319 -5.835 4.307 1.00 0.00 C ATOM 56 C PHE A 4 3.101 -4.929 4.137 1.00 0.00 C ATOM 57 O PHE A 4 3.187 -3.715 4.340 1.00 0.00 O ATOM 58 CB PHE A 4 4.352 -6.406 5.733 1.00 0.00 C ATOM 59 CG PHE A 4 5.522 -7.309 6.081 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.542 -8.643 5.630 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.556 -6.843 6.917 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.584 -9.505 6.019 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.594 -7.707 7.308 1.00 0.00 C ATOM 64 CZ PHE A 4 7.610 -9.040 6.860 1.00 0.00 C ATOM 0 H PHE A 4 5.585 -4.214 4.562 1.00 0.00 H new ATOM 0 HA PHE A 4 4.262 -6.674 3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.347 -5.571 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.431 -6.965 5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.756 -9.005 4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.551 -5.818 7.259 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.596 -10.527 5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.381 -7.346 7.954 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.407 -9.704 7.161 1.00 0.00 H new ATOM 74 N VAL A 5 1.953 -5.495 3.774 1.00 0.00 N ATOM 75 CA VAL A 5 0.705 -4.758 3.599 1.00 0.00 C ATOM 76 C VAL A 5 -0.409 -5.610 4.203 1.00 0.00 C ATOM 77 O VAL A 5 -0.447 -6.814 3.958 1.00 0.00 O ATOM 78 CB VAL A 5 0.439 -4.417 2.113 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.713 -3.407 2.016 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.659 -3.834 1.377 1.00 0.00 C ATOM 0 H VAL A 5 1.862 -6.494 3.590 1.00 0.00 H new ATOM 0 HA VAL A 5 0.758 -3.795 4.107 1.00 0.00 H new ATOM 0 HB VAL A 5 0.191 -5.361 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.900 -3.167 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.613 -3.838 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.446 -2.498 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.392 -3.621 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.974 -2.913 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.476 -4.555 1.400 1.00 0.00 H new ATOM 90 N LYS A 6 -1.286 -5.015 5.013 1.00 0.00 N ATOM 91 CA LYS A 6 -2.411 -5.695 5.645 1.00 0.00 C ATOM 92 C LYS A 6 -3.682 -5.328 4.889 1.00 0.00 C ATOM 93 O LYS A 6 -3.977 -4.137 4.751 1.00 0.00 O ATOM 94 CB LYS A 6 -2.532 -5.350 7.133 1.00 0.00 C ATOM 95 CG LYS A 6 -3.469 -6.343 7.845 1.00 0.00 C ATOM 96 CD LYS A 6 -2.756 -7.616 8.324 1.00 0.00 C ATOM 97 CE LYS A 6 -2.021 -7.396 9.650 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.962 -7.240 10.779 1.00 0.00 N ATOM 0 H LYS A 6 -1.230 -4.025 5.251 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.247 -6.772 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.547 -5.374 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.914 -4.336 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.928 -5.848 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.276 -6.620 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.485 -8.418 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.045 -7.941 7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.358 -8.240 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.393 -6.508 9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.448 -7.348 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.397 -6.296 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.704 -7.966 10.716 1.00 0.00 H new ATOM 112 N THR A 7 -4.363 -6.307 4.300 1.00 0.00 N ATOM 113 CA THR A 7 -5.599 -6.055 3.568 1.00 0.00 C ATOM 114 C THR A 7 -6.735 -5.735 4.548 1.00 0.00 C ATOM 115 O THR A 7 -6.611 -5.908 5.764 1.00 0.00 O ATOM 116 CB THR A 7 -5.971 -7.280 2.710 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.288 -8.370 3.551 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.858 -7.687 1.738 1.00 0.00 C ATOM 0 H THR A 7 -4.077 -7.286 4.316 1.00 0.00 H new ATOM 0 HA THR A 7 -5.448 -5.200 2.910 1.00 0.00 H new ATOM 0 HB THR A 7 -6.835 -6.998 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.191 -8.691 3.345 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.178 -8.555 1.161 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.646 -6.860 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.958 -7.936 2.300 1.00 0.00 H new ATOM 126 N LEU A 8 -7.881 -5.302 4.010 1.00 0.00 N ATOM 127 CA LEU A 8 -9.069 -4.999 4.806 1.00 0.00 C ATOM 128 C LEU A 8 -9.705 -6.274 5.372 1.00 0.00 C ATOM 129 O LEU A 8 -10.573 -6.189 6.232 1.00 0.00 O ATOM 130 CB LEU A 8 -10.110 -4.243 3.964 1.00 0.00 C ATOM 131 CG LEU A 8 -10.935 -5.068 2.944 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.873 -4.121 2.200 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.098 -5.814 1.897 1.00 0.00 C ATOM 0 H LEU A 8 -8.008 -5.153 3.009 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.748 -4.370 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.807 -3.757 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.593 -3.453 3.419 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.461 -5.825 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.462 -4.686 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.541 -3.636 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.287 -3.364 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.759 -6.363 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.512 -5.097 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.427 -6.512 2.398 1.00 0.00 H new ATOM 145 N THR A 9 -9.286 -7.441 4.882 1.00 0.00 N ATOM 146 CA THR A 9 -9.760 -8.756 5.267 1.00 0.00 C ATOM 147 C THR A 9 -8.899 -9.396 6.359 1.00 0.00 C ATOM 148 O THR A 9 -9.305 -10.424 6.900 1.00 0.00 O ATOM 149 CB THR A 9 -9.855 -9.637 4.010 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.781 -9.455 3.095 1.00 0.00 O ATOM 151 CG2 THR A 9 -11.152 -9.352 3.249 1.00 0.00 C ATOM 0 H THR A 9 -8.564 -7.488 4.163 1.00 0.00 H new ATOM 0 HA THR A 9 -10.751 -8.655 5.710 1.00 0.00 H new ATOM 0 HB THR A 9 -9.820 -10.661 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.905 -10.046 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.201 -9.985 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.006 -9.563 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 9 -11.175 -8.305 2.948 1.00 0.00 H new ATOM 159 N GLY A 10 -7.718 -8.839 6.657 1.00 0.00 N ATOM 160 CA GLY A 10 -6.812 -9.347 7.680 1.00 0.00 C ATOM 161 C GLY A 10 -5.650 -10.162 7.122 1.00 0.00 C ATOM 162 O GLY A 10 -4.906 -10.764 7.900 1.00 0.00 O ATOM 0 H GLY A 10 -7.365 -8.008 6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.414 -8.507 8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.376 -9.966 8.377 1.00 0.00 H new ATOM 166 N LYS A 11 -5.470 -10.213 5.796 1.00 0.00 N ATOM 167 CA LYS A 11 -4.363 -10.968 5.223 1.00 0.00 C ATOM 168 C LYS A 11 -3.119 -10.099 5.332 1.00 0.00 C ATOM 169 O LYS A 11 -3.227 -8.876 5.438 1.00 0.00 O ATOM 170 CB LYS A 11 -4.586 -11.199 3.710 1.00 0.00 C ATOM 171 CG LYS A 11 -5.853 -11.966 3.303 1.00 0.00 C ATOM 172 CD LYS A 11 -5.792 -13.456 3.649 1.00 0.00 C ATOM 173 CE LYS A 11 -4.579 -14.212 3.074 1.00 0.00 C ATOM 174 NZ LYS A 11 -4.523 -14.202 1.597 1.00 0.00 N ATOM 0 H LYS A 11 -6.069 -9.747 5.115 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.276 -11.922 5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.605 -10.227 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.723 -11.737 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.715 -11.519 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.009 -11.855 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.785 -13.561 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.703 -13.934 3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.665 -13.768 3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.607 -15.245 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.703 -14.756 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.394 -14.621 1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.432 -13.222 1.260 1.00 0.00 H new ATOM 188 N THR A 12 -1.955 -10.707 5.160 1.00 0.00 N ATOM 189 CA THR A 12 -0.677 -10.024 5.174 1.00 0.00 C ATOM 190 C THR A 12 -0.066 -10.386 3.831 1.00 0.00 C ATOM 191 O THR A 12 -0.080 -11.552 3.424 1.00 0.00 O ATOM 192 CB THR A 12 0.211 -10.432 6.357 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.450 -10.174 7.578 1.00 0.00 O ATOM 194 CG2 THR A 12 1.524 -9.637 6.353 1.00 0.00 C ATOM 0 H THR A 12 -1.874 -11.712 5.004 1.00 0.00 H new ATOM 0 HA THR A 12 -0.786 -8.948 5.309 1.00 0.00 H new ATOM 0 HB THR A 12 0.422 -11.497 6.257 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.126 -10.440 8.325 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.137 -9.943 7.201 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.064 -9.830 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.305 -8.572 6.430 1.00 0.00 H new ATOM 202 N ILE A 13 0.438 -9.377 3.144 1.00 0.00 N ATOM 203 CA ILE A 13 1.067 -9.455 1.844 1.00 0.00 C ATOM 204 C ILE A 13 2.520 -9.056 2.068 1.00 0.00 C ATOM 205 O ILE A 13 2.775 -8.211 2.928 1.00 0.00 O ATOM 206 CB ILE A 13 0.355 -8.466 0.892 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.192 -8.495 0.995 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.817 -8.652 -0.564 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.852 -9.823 0.603 1.00 0.00 C ATOM 0 H ILE A 13 0.416 -8.423 3.504 1.00 0.00 H new ATOM 0 HA ILE A 13 1.006 -10.447 1.397 1.00 0.00 H new ATOM 0 HB ILE A 13 0.657 -7.474 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.476 -8.256 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.596 -7.706 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.296 -7.941 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.891 -8.480 -0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.591 -9.667 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.933 -9.737 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.607 -10.059 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.485 -10.618 1.253 1.00 0.00 H new ATOM 221 N THR A 14 3.450 -9.608 1.296 1.00 0.00 N ATOM 222 CA THR A 14 4.873 -9.312 1.362 1.00 0.00 C ATOM 223 C THR A 14 5.261 -8.881 -0.050 1.00 0.00 C ATOM 224 O THR A 14 4.964 -9.597 -1.008 1.00 0.00 O ATOM 225 CB THR A 14 5.668 -10.527 1.855 1.00 0.00 C ATOM 226 OG1 THR A 14 5.299 -10.887 3.175 1.00 0.00 O ATOM 227 CG2 THR A 14 7.165 -10.209 1.897 1.00 0.00 C ATOM 0 H THR A 14 3.223 -10.299 0.581 1.00 0.00 H new ATOM 0 HA THR A 14 5.100 -8.523 2.079 1.00 0.00 H new ATOM 0 HB THR A 14 5.451 -11.339 1.161 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.685 -10.247 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.713 -11.083 2.249 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.509 -9.944 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.341 -9.373 2.575 1.00 0.00 H new ATOM 235 N LEU A 15 5.878 -7.710 -0.207 1.00 0.00 N ATOM 236 CA LEU A 15 6.271 -7.194 -1.516 1.00 0.00 C ATOM 237 C LEU A 15 7.733 -6.786 -1.504 1.00 0.00 C ATOM 238 O LEU A 15 8.262 -6.403 -0.458 1.00 0.00 O ATOM 239 CB LEU A 15 5.432 -5.962 -1.894 1.00 0.00 C ATOM 240 CG LEU A 15 3.911 -6.167 -1.991 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.275 -4.822 -2.354 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.503 -7.219 -3.029 1.00 0.00 C ATOM 0 H LEU A 15 6.119 -7.094 0.569 1.00 0.00 H new ATOM 0 HA LEU A 15 6.107 -7.988 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.624 -5.181 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.787 -5.590 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 15 3.562 -6.536 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.194 -4.939 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.508 -4.089 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.670 -4.479 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.417 -7.313 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.855 -6.914 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.946 -8.180 -2.767 1.00 0.00 H new ATOM 254 N GLU A 16 8.364 -6.884 -2.667 1.00 0.00 N ATOM 255 CA GLU A 16 9.748 -6.527 -2.930 1.00 0.00 C ATOM 256 C GLU A 16 9.635 -5.170 -3.613 1.00 0.00 C ATOM 257 O GLU A 16 9.028 -5.045 -4.682 1.00 0.00 O ATOM 258 CB GLU A 16 10.418 -7.598 -3.798 1.00 0.00 C ATOM 259 CG GLU A 16 11.877 -7.254 -4.132 1.00 0.00 C ATOM 260 CD GLU A 16 12.626 -8.453 -4.725 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.062 -9.193 -5.563 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.788 -8.707 -4.324 1.00 0.00 O ATOM 0 H GLU A 16 7.893 -7.236 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 16 10.376 -6.470 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.383 -8.556 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.855 -7.716 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.902 -6.425 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.387 -6.918 -3.229 1.00 0.00 H new ATOM 269 N VAL A 17 10.160 -4.142 -2.958 1.00 0.00 N ATOM 270 CA VAL A 17 10.120 -2.763 -3.423 1.00 0.00 C ATOM 271 C VAL A 17 11.519 -2.153 -3.329 1.00 0.00 C ATOM 272 O VAL A 17 12.508 -2.863 -3.125 1.00 0.00 O ATOM 273 CB VAL A 17 9.048 -1.992 -2.612 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.645 -2.608 -2.756 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.399 -1.912 -1.117 1.00 0.00 C ATOM 0 H VAL A 17 10.639 -4.249 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 17 9.829 -2.704 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 17 9.038 -0.987 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.932 -2.030 -2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.347 -2.594 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.661 -3.637 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.619 -1.363 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.475 -2.919 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.352 -1.397 -0.994 1.00 0.00 H new ATOM 285 N GLU A 18 11.617 -0.845 -3.519 1.00 0.00 N ATOM 286 CA GLU A 18 12.831 -0.059 -3.455 1.00 0.00 C ATOM 287 C GLU A 18 12.446 1.294 -2.832 1.00 0.00 C ATOM 288 O GLU A 18 11.269 1.668 -2.865 1.00 0.00 O ATOM 289 CB GLU A 18 13.439 0.098 -4.869 1.00 0.00 C ATOM 290 CG GLU A 18 12.460 0.742 -5.864 1.00 0.00 C ATOM 291 CD GLU A 18 13.088 1.156 -7.192 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.220 0.289 -8.088 1.00 0.00 O ATOM 293 OE2 GLU A 18 13.374 2.358 -7.376 1.00 0.00 O ATOM 0 H GLU A 18 10.800 -0.274 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 18 13.596 -0.541 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.341 0.706 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.739 -0.881 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.650 0.040 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.014 1.621 -5.398 1.00 0.00 H new ATOM 300 N PRO A 19 13.396 2.079 -2.294 1.00 0.00 N ATOM 301 CA PRO A 19 13.107 3.388 -1.711 1.00 0.00 C ATOM 302 C PRO A 19 12.443 4.356 -2.703 1.00 0.00 C ATOM 303 O PRO A 19 11.835 5.346 -2.287 1.00 0.00 O ATOM 304 CB PRO A 19 14.456 3.942 -1.238 1.00 0.00 C ATOM 305 CG PRO A 19 15.285 2.680 -1.032 1.00 0.00 C ATOM 306 CD PRO A 19 14.810 1.778 -2.167 1.00 0.00 C ATOM 0 HA PRO A 19 12.392 3.282 -0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.904 4.604 -1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.357 4.516 -0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.354 2.883 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 19 15.104 2.231 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.346 1.987 -3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.974 0.726 -1.934 1.00 0.00 H new ATOM 314 N SER A 20 12.535 4.085 -4.005 1.00 0.00 N ATOM 315 CA SER A 20 11.979 4.907 -5.064 1.00 0.00 C ATOM 316 C SER A 20 10.884 4.169 -5.858 1.00 0.00 C ATOM 317 O SER A 20 10.645 4.477 -7.025 1.00 0.00 O ATOM 318 CB SER A 20 13.137 5.405 -5.933 1.00 0.00 C ATOM 319 OG SER A 20 14.136 6.034 -5.144 1.00 0.00 O ATOM 0 H SER A 20 13.016 3.257 -4.357 1.00 0.00 H new ATOM 0 HA SER A 20 11.465 5.770 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.573 4.567 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.761 6.108 -6.677 1.00 0.00 H new ATOM 0 HG SER A 20 14.865 6.341 -5.723 1.00 0.00 H new ATOM 325 N ASP A 21 10.117 3.292 -5.201 1.00 0.00 N ATOM 326 CA ASP A 21 9.039 2.539 -5.852 1.00 0.00 C ATOM 327 C ASP A 21 7.822 3.444 -5.669 1.00 0.00 C ATOM 328 O ASP A 21 7.576 3.913 -4.546 1.00 0.00 O ATOM 329 CB ASP A 21 8.859 1.201 -5.108 1.00 0.00 C ATOM 330 CG ASP A 21 8.023 0.145 -5.831 1.00 0.00 C ATOM 331 OD1 ASP A 21 8.382 -1.051 -5.714 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.001 0.512 -6.436 1.00 0.00 O ATOM 0 H ASP A 21 10.225 3.085 -4.208 1.00 0.00 H new ATOM 0 HA ASP A 21 9.218 2.301 -6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.845 0.782 -4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.397 1.404 -4.142 1.00 0.00 H new ATOM 337 N THR A 22 7.080 3.751 -6.733 1.00 0.00 N ATOM 338 CA THR A 22 5.930 4.643 -6.642 1.00 0.00 C ATOM 339 C THR A 22 4.702 3.959 -6.057 1.00 0.00 C ATOM 340 O THR A 22 4.555 2.734 -6.106 1.00 0.00 O ATOM 341 CB THR A 22 5.606 5.256 -8.020 1.00 0.00 C ATOM 342 OG1 THR A 22 5.581 4.265 -9.030 1.00 0.00 O ATOM 343 CG2 THR A 22 6.584 6.368 -8.406 1.00 0.00 C ATOM 0 H THR A 22 7.258 3.392 -7.671 1.00 0.00 H new ATOM 0 HA THR A 22 6.205 5.442 -5.954 1.00 0.00 H new ATOM 0 HB THR A 22 4.614 5.699 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.361 4.373 -9.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.314 6.767 -9.384 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.540 7.165 -7.664 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.596 5.965 -8.446 1.00 0.00 H new ATOM 351 N ILE A 23 3.760 4.755 -5.536 1.00 0.00 N ATOM 352 CA ILE A 23 2.531 4.181 -4.987 1.00 0.00 C ATOM 353 C ILE A 23 1.763 3.491 -6.116 1.00 0.00 C ATOM 354 O ILE A 23 1.072 2.517 -5.853 1.00 0.00 O ATOM 355 CB ILE A 23 1.691 5.236 -4.241 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.399 5.698 -2.954 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.257 4.776 -3.905 1.00 0.00 C ATOM 358 CD1 ILE A 23 2.489 4.667 -1.826 1.00 0.00 C ATOM 0 H ILE A 23 3.823 5.772 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 23 2.779 3.432 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 23 1.599 6.070 -4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.410 6.012 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.880 6.578 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.268 5.575 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.274 4.537 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.298 3.891 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.007 5.105 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.485 4.367 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.039 3.793 -2.175 1.00 0.00 H new ATOM 370 N GLU A 24 1.880 3.956 -7.363 1.00 0.00 N ATOM 371 CA GLU A 24 1.199 3.355 -8.502 1.00 0.00 C ATOM 372 C GLU A 24 1.612 1.886 -8.659 1.00 0.00 C ATOM 373 O GLU A 24 0.762 1.031 -8.923 1.00 0.00 O ATOM 374 CB GLU A 24 1.522 4.186 -9.750 1.00 0.00 C ATOM 375 CG GLU A 24 0.878 3.613 -11.014 1.00 0.00 C ATOM 376 CD GLU A 24 1.024 4.588 -12.175 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.108 5.424 -12.356 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.079 4.553 -12.856 1.00 0.00 O ATOM 0 H GLU A 24 2.453 4.764 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 24 0.120 3.359 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.177 5.209 -9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.603 4.230 -9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.346 2.662 -11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.177 3.410 -10.832 1.00 0.00 H new ATOM 385 N ASN A 25 2.909 1.607 -8.492 1.00 0.00 N ATOM 386 CA ASN A 25 3.490 0.275 -8.595 1.00 0.00 C ATOM 387 C ASN A 25 3.121 -0.544 -7.368 1.00 0.00 C ATOM 388 O ASN A 25 2.560 -1.628 -7.521 1.00 0.00 O ATOM 389 CB ASN A 25 5.009 0.361 -8.779 1.00 0.00 C ATOM 390 CG ASN A 25 5.335 0.606 -10.238 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.209 -0.294 -11.063 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.689 1.825 -10.595 1.00 0.00 N ATOM 0 H ASN A 25 3.599 2.326 -8.275 1.00 0.00 H new ATOM 0 HA ASN A 25 3.084 -0.226 -9.474 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.414 1.166 -8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.478 -0.563 -8.442 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.865 2.038 -11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.787 2.555 -9.889 1.00 0.00 H new ATOM 399 N VAL A 26 3.363 -0.055 -6.153 1.00 0.00 N ATOM 400 CA VAL A 26 3.018 -0.786 -4.927 1.00 0.00 C ATOM 401 C VAL A 26 1.515 -1.111 -4.896 1.00 0.00 C ATOM 402 O VAL A 26 1.127 -2.216 -4.510 1.00 0.00 O ATOM 403 CB VAL A 26 3.534 -0.047 -3.676 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.214 -0.810 -2.381 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.061 0.103 -3.748 1.00 0.00 C ATOM 0 H VAL A 26 3.800 0.852 -5.987 1.00 0.00 H new ATOM 0 HA VAL A 26 3.530 -1.748 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 26 3.036 0.922 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.596 -0.252 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.135 -0.927 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.684 -1.793 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.417 0.626 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.522 -0.884 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.329 0.673 -4.637 1.00 0.00 H new ATOM 415 N LYS A 27 0.655 -0.197 -5.357 1.00 0.00 N ATOM 416 CA LYS A 27 -0.793 -0.391 -5.381 1.00 0.00 C ATOM 417 C LYS A 27 -1.190 -1.360 -6.506 1.00 0.00 C ATOM 418 O LYS A 27 -2.324 -1.825 -6.521 1.00 0.00 O ATOM 419 CB LYS A 27 -1.473 0.983 -5.474 1.00 0.00 C ATOM 420 CG LYS A 27 -2.984 0.967 -5.199 1.00 0.00 C ATOM 421 CD LYS A 27 -3.565 2.379 -5.021 1.00 0.00 C ATOM 422 CE LYS A 27 -3.325 3.209 -6.285 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.157 4.427 -6.378 1.00 0.00 N ATOM 0 H LYS A 27 0.951 0.706 -5.727 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.137 -0.862 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.995 1.659 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.302 1.392 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.495 0.469 -6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.180 0.381 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.633 2.318 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.102 2.866 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.274 3.497 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.516 2.585 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.935 4.932 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.163 4.162 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.959 5.045 -5.566 1.00 0.00 H new ATOM 437 N ALA A 28 -0.301 -1.660 -7.458 1.00 0.00 N ATOM 438 CA ALA A 28 -0.549 -2.613 -8.533 1.00 0.00 C ATOM 439 C ALA A 28 -0.097 -3.988 -8.032 1.00 0.00 C ATOM 440 O ALA A 28 -0.854 -4.952 -8.101 1.00 0.00 O ATOM 441 CB ALA A 28 0.207 -2.228 -9.802 1.00 0.00 C ATOM 0 H ALA A 28 0.626 -1.237 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.608 -2.622 -8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.001 -2.959 -10.584 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.116 -1.241 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.277 -2.209 -9.596 1.00 0.00 H new ATOM 447 N LYS A 29 1.104 -4.063 -7.440 1.00 0.00 N ATOM 448 CA LYS A 29 1.723 -5.267 -6.884 1.00 0.00 C ATOM 449 C LYS A 29 0.747 -6.012 -5.960 1.00 0.00 C ATOM 450 O LYS A 29 0.702 -7.245 -5.992 1.00 0.00 O ATOM 451 CB LYS A 29 3.035 -4.891 -6.164 1.00 0.00 C ATOM 452 CG LYS A 29 4.229 -4.550 -7.085 1.00 0.00 C ATOM 453 CD LYS A 29 5.375 -3.891 -6.287 1.00 0.00 C ATOM 454 CE LYS A 29 6.608 -3.516 -7.126 1.00 0.00 C ATOM 455 NZ LYS A 29 7.647 -4.568 -7.131 1.00 0.00 N ATOM 0 H LYS A 29 1.698 -3.241 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 29 1.968 -5.953 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.841 -4.035 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.323 -5.719 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.592 -5.458 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.901 -3.878 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.993 -2.991 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.685 -4.571 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.296 -3.317 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.037 -2.592 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.389 -4.320 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.065 -4.648 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.219 -5.477 -7.398 1.00 0.00 H new ATOM 469 N ILE A 30 -0.033 -5.301 -5.139 1.00 0.00 N ATOM 470 CA ILE A 30 -1.012 -5.918 -4.240 1.00 0.00 C ATOM 471 C ILE A 30 -2.157 -6.617 -5.002 1.00 0.00 C ATOM 472 O ILE A 30 -2.683 -7.612 -4.503 1.00 0.00 O ATOM 473 CB ILE A 30 -1.583 -4.892 -3.230 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.210 -3.668 -3.927 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.508 -4.476 -2.213 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.906 -2.688 -2.981 1.00 0.00 C ATOM 0 H ILE A 30 -0.003 -4.283 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.473 -6.686 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.392 -5.384 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.430 -3.136 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.932 -4.016 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.929 -3.755 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.165 -5.354 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.333 -4.023 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.318 -1.858 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.711 -3.200 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.185 -2.306 -2.258 1.00 0.00 H new ATOM 488 N GLN A 31 -2.514 -6.183 -6.213 1.00 0.00 N ATOM 489 CA GLN A 31 -3.606 -6.781 -6.988 1.00 0.00 C ATOM 490 C GLN A 31 -3.144 -8.104 -7.594 1.00 0.00 C ATOM 491 O GLN A 31 -3.945 -8.987 -7.903 1.00 0.00 O ATOM 492 CB GLN A 31 -4.031 -5.827 -8.118 1.00 0.00 C ATOM 493 CG GLN A 31 -4.286 -4.390 -7.637 1.00 0.00 C ATOM 494 CD GLN A 31 -4.644 -3.441 -8.772 1.00 0.00 C ATOM 495 OE1 GLN A 31 -5.248 -3.817 -9.772 1.00 0.00 O ATOM 496 NE2 GLN A 31 -4.252 -2.185 -8.652 1.00 0.00 N ATOM 0 H GLN A 31 -2.053 -5.405 -6.686 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.453 -6.958 -6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.256 -5.814 -8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.936 -6.212 -8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.094 -4.395 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.397 -4.020 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.751 -1.885 -7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.451 -1.516 -9.395 1.00 0.00 H new ATOM 505 N ASP A 32 -1.836 -8.272 -7.757 1.00 0.00 N ATOM 506 CA ASP A 32 -1.240 -9.488 -8.285 1.00 0.00 C ATOM 507 C ASP A 32 -1.211 -10.539 -7.160 1.00 0.00 C ATOM 508 O ASP A 32 -1.531 -11.708 -7.395 1.00 0.00 O ATOM 509 CB ASP A 32 0.147 -9.151 -8.848 1.00 0.00 C ATOM 510 CG ASP A 32 1.085 -10.350 -8.876 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.706 -11.415 -9.404 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.213 -10.203 -8.344 1.00 0.00 O ATOM 0 H ASP A 32 -1.151 -7.554 -7.521 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.819 -9.910 -9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.037 -8.759 -9.859 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.595 -8.360 -8.246 1.00 0.00 H new ATOM 517 N LYS A 33 -0.972 -10.130 -5.905 1.00 0.00 N ATOM 518 CA LYS A 33 -0.907 -11.051 -4.764 1.00 0.00 C ATOM 519 C LYS A 33 -2.267 -11.348 -4.119 1.00 0.00 C ATOM 520 O LYS A 33 -2.380 -12.354 -3.420 1.00 0.00 O ATOM 521 CB LYS A 33 0.044 -10.491 -3.691 1.00 0.00 C ATOM 522 CG LYS A 33 1.507 -10.294 -4.127 1.00 0.00 C ATOM 523 CD LYS A 33 2.207 -11.589 -4.562 1.00 0.00 C ATOM 524 CE LYS A 33 3.725 -11.373 -4.685 1.00 0.00 C ATOM 525 NZ LYS A 33 4.433 -12.637 -4.982 1.00 0.00 N ATOM 0 H LYS A 33 -0.819 -9.153 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.537 -11.994 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.346 -9.531 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.028 -11.163 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.537 -9.582 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.065 -9.851 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.005 -12.378 -3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.804 -11.923 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.927 -10.648 -5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.109 -10.950 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.454 -12.454 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.260 -13.320 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.084 -13.028 -5.880 1.00 0.00 H new ATOM 539 N GLU A 34 -3.297 -10.518 -4.277 1.00 0.00 N ATOM 540 CA GLU A 34 -4.623 -10.753 -3.700 1.00 0.00 C ATOM 541 C GLU A 34 -5.641 -10.157 -4.675 1.00 0.00 C ATOM 542 O GLU A 34 -5.333 -9.171 -5.346 1.00 0.00 O ATOM 543 CB GLU A 34 -4.701 -10.091 -2.310 1.00 0.00 C ATOM 544 CG GLU A 34 -5.851 -10.575 -1.405 1.00 0.00 C ATOM 545 CD GLU A 34 -5.512 -11.836 -0.594 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.442 -11.898 0.048 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.315 -12.794 -0.554 1.00 0.00 O ATOM 0 H GLU A 34 -3.235 -9.654 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.828 -11.814 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.758 -10.264 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.798 -9.014 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.122 -9.774 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.727 -10.775 -2.022 1.00 0.00 H new ATOM 554 N GLY A 35 -6.858 -10.695 -4.738 1.00 0.00 N ATOM 555 CA GLY A 35 -7.879 -10.203 -5.649 1.00 0.00 C ATOM 556 C GLY A 35 -8.581 -8.971 -5.100 1.00 0.00 C ATOM 557 O GLY A 35 -9.669 -9.099 -4.538 1.00 0.00 O ATOM 0 H GLY A 35 -7.159 -11.480 -4.160 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.424 -9.964 -6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.613 -10.988 -5.831 1.00 0.00 H new ATOM 561 N ILE A 36 -7.979 -7.791 -5.238 1.00 0.00 N ATOM 562 CA ILE A 36 -8.547 -6.525 -4.778 1.00 0.00 C ATOM 563 C ILE A 36 -8.365 -5.511 -5.928 1.00 0.00 C ATOM 564 O ILE A 36 -7.256 -5.005 -6.095 1.00 0.00 O ATOM 565 CB ILE A 36 -7.895 -6.104 -3.432 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.367 -6.364 -3.356 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.604 -6.849 -2.282 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.675 -5.746 -2.136 1.00 0.00 C ATOM 0 H ILE A 36 -7.066 -7.686 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.612 -6.596 -4.556 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.019 -5.024 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.195 -7.440 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.900 -5.973 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.155 -6.562 -1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.662 -6.588 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.496 -7.924 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.610 -5.978 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.811 -4.665 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.111 -6.155 -1.224 1.00 0.00 H new ATOM 580 N PRO A 37 -9.432 -5.140 -6.664 1.00 0.00 N ATOM 581 CA PRO A 37 -9.381 -4.202 -7.787 1.00 0.00 C ATOM 582 C PRO A 37 -8.944 -2.776 -7.435 1.00 0.00 C ATOM 583 O PRO A 37 -8.987 -2.382 -6.266 1.00 0.00 O ATOM 584 CB PRO A 37 -10.826 -4.138 -8.317 1.00 0.00 C ATOM 585 CG PRO A 37 -11.453 -5.452 -7.884 1.00 0.00 C ATOM 586 CD PRO A 37 -10.771 -5.695 -6.543 1.00 0.00 C ATOM 0 HA PRO A 37 -8.635 -4.562 -8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.363 -3.286 -7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.846 -4.028 -9.401 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.536 -5.375 -7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.254 -6.254 -8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.320 -5.214 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.732 -6.760 -6.313 1.00 0.00 H new ATOM 594 N PRO A 38 -8.599 -1.936 -8.433 1.00 0.00 N ATOM 595 CA PRO A 38 -8.216 -0.553 -8.196 1.00 0.00 C ATOM 596 C PRO A 38 -9.501 0.292 -8.079 1.00 0.00 C ATOM 597 O PRO A 38 -9.662 1.301 -8.771 1.00 0.00 O ATOM 598 CB PRO A 38 -7.353 -0.194 -9.414 1.00 0.00 C ATOM 599 CG PRO A 38 -8.018 -0.975 -10.545 1.00 0.00 C ATOM 600 CD PRO A 38 -8.486 -2.255 -9.850 1.00 0.00 C ATOM 0 HA PRO A 38 -7.658 -0.376 -7.277 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.355 0.879 -9.608 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.314 -0.491 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.852 -0.424 -10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.319 -1.187 -11.354 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.444 -2.587 -10.251 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.775 -3.066 -10.010 1.00 0.00 H new ATOM 608 N ASP A 39 -10.393 -0.082 -7.161 1.00 0.00 N ATOM 609 CA ASP A 39 -11.679 0.528 -6.831 1.00 0.00 C ATOM 610 C ASP A 39 -11.859 0.299 -5.338 1.00 0.00 C ATOM 611 O ASP A 39 -11.623 -0.815 -4.863 1.00 0.00 O ATOM 612 CB ASP A 39 -12.845 -0.086 -7.614 1.00 0.00 C ATOM 613 CG ASP A 39 -14.195 0.326 -7.024 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.412 1.537 -6.786 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.047 -0.559 -6.776 1.00 0.00 O ATOM 0 H ASP A 39 -10.215 -0.897 -6.575 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.680 1.585 -7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.791 0.229 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.759 -1.173 -7.605 1.00 0.00 H new ATOM 620 N GLN A 40 -12.275 1.341 -4.613 1.00 0.00 N ATOM 621 CA GLN A 40 -12.460 1.356 -3.164 1.00 0.00 C ATOM 622 C GLN A 40 -11.211 0.745 -2.520 1.00 0.00 C ATOM 623 O GLN A 40 -11.303 -0.137 -1.675 1.00 0.00 O ATOM 624 CB GLN A 40 -13.744 0.621 -2.725 1.00 0.00 C ATOM 625 CG GLN A 40 -15.049 1.058 -3.390 1.00 0.00 C ATOM 626 CD GLN A 40 -15.227 2.567 -3.473 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.187 3.288 -2.474 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.399 3.075 -4.676 1.00 0.00 N ATOM 0 H GLN A 40 -12.502 2.238 -5.043 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.588 2.386 -2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.607 -0.444 -2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.854 0.743 -1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.089 0.642 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.887 0.634 -2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.429 2.461 -5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.502 4.083 -4.794 1.00 0.00 H new ATOM 637 N ASN A 41 -10.033 1.219 -2.934 1.00 0.00 N ATOM 638 CA ASN A 41 -8.752 0.747 -2.442 1.00 0.00 C ATOM 639 C ASN A 41 -7.811 1.944 -2.365 1.00 0.00 C ATOM 640 O ASN A 41 -7.742 2.736 -3.311 1.00 0.00 O ATOM 641 CB ASN A 41 -8.161 -0.338 -3.369 1.00 0.00 C ATOM 642 CG ASN A 41 -8.515 -1.761 -2.951 1.00 0.00 C ATOM 643 OD1 ASN A 41 -7.668 -2.496 -2.444 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.747 -2.194 -3.147 1.00 0.00 N ATOM 0 H ASN A 41 -9.950 1.956 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.882 0.295 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.517 -0.168 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.076 -0.234 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.003 -3.144 -2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.443 -1.578 -3.568 1.00 0.00 H new ATOM 651 N ARG A 42 -7.083 2.087 -1.258 1.00 0.00 N ATOM 652 CA ARG A 42 -6.123 3.150 -0.997 1.00 0.00 C ATOM 653 C ARG A 42 -5.147 2.618 0.036 1.00 0.00 C ATOM 654 O ARG A 42 -5.556 2.056 1.055 1.00 0.00 O ATOM 655 CB ARG A 42 -6.857 4.397 -0.493 1.00 0.00 C ATOM 656 CG ARG A 42 -5.944 5.608 -0.275 1.00 0.00 C ATOM 657 CD ARG A 42 -6.777 6.829 0.129 1.00 0.00 C ATOM 658 NE ARG A 42 -7.556 7.378 -0.993 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.121 8.268 -1.890 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.842 8.636 -1.902 1.00 0.00 N ATOM 661 NH2 ARG A 42 -7.972 8.788 -2.764 1.00 0.00 N ATOM 0 H ARG A 42 -7.153 1.429 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.585 3.440 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.634 4.664 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.357 4.158 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.211 5.386 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.388 5.823 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.455 6.551 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.116 7.602 0.520 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.516 7.049 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.191 8.238 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.513 9.316 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.953 8.508 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.646 9.468 -3.451 1.00 0.00 H new ATOM 675 N LEU A 43 -3.860 2.831 -0.212 1.00 0.00 N ATOM 676 CA LEU A 43 -2.779 2.380 0.646 1.00 0.00 C ATOM 677 C LEU A 43 -2.533 3.466 1.694 1.00 0.00 C ATOM 678 O LEU A 43 -2.569 4.655 1.377 1.00 0.00 O ATOM 679 CB LEU A 43 -1.565 2.128 -0.264 1.00 0.00 C ATOM 680 CG LEU A 43 -0.410 1.359 0.390 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.781 -0.080 0.765 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.759 1.305 -0.601 1.00 0.00 C ATOM 0 H LEU A 43 -3.535 3.335 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.001 1.457 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.898 1.575 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.188 3.089 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.152 1.884 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.078 -0.570 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.611 -0.069 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.074 -0.626 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.591 0.761 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.441 0.796 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.077 2.319 -0.844 1.00 0.00 H new ATOM 694 N ILE A 44 -2.260 3.067 2.936 1.00 0.00 N ATOM 695 CA ILE A 44 -2.032 3.937 4.088 1.00 0.00 C ATOM 696 C ILE A 44 -0.757 3.490 4.820 1.00 0.00 C ATOM 697 O ILE A 44 -0.506 2.288 4.932 1.00 0.00 O ATOM 698 CB ILE A 44 -3.251 3.808 5.046 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.655 3.838 4.394 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.203 4.816 6.210 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.056 5.150 3.711 1.00 0.00 C ATOM 0 H ILE A 44 -2.188 2.079 3.177 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.915 4.971 3.764 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.127 2.793 5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.707 3.038 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.394 3.612 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.078 4.680 6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.299 4.651 6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.198 5.831 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.057 5.051 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.047 5.958 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.349 5.375 2.912 1.00 0.00 H new ATOM 713 N PHE A 45 0.031 4.426 5.363 1.00 0.00 N ATOM 714 CA PHE A 45 1.254 4.139 6.118 1.00 0.00 C ATOM 715 C PHE A 45 1.288 5.068 7.325 1.00 0.00 C ATOM 716 O PHE A 45 1.225 6.287 7.167 1.00 0.00 O ATOM 717 CB PHE A 45 2.526 4.307 5.278 1.00 0.00 C ATOM 718 CG PHE A 45 3.802 4.144 6.085 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.054 2.944 6.782 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.736 5.197 6.150 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.226 2.805 7.545 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.924 5.039 6.883 1.00 0.00 C ATOM 723 CZ PHE A 45 6.164 3.849 7.591 1.00 0.00 C ATOM 0 H PHE A 45 -0.169 5.423 5.288 1.00 0.00 H new ATOM 0 HA PHE A 45 1.234 3.094 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.519 3.576 4.470 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.520 5.294 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.345 2.131 6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.538 6.126 5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.405 1.894 8.097 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.655 5.834 6.902 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.069 3.738 8.170 1.00 0.00 H new ATOM 733 N ALA A 46 1.406 4.495 8.529 1.00 0.00 N ATOM 734 CA ALA A 46 1.435 5.229 9.798 1.00 0.00 C ATOM 735 C ALA A 46 0.222 6.168 9.903 1.00 0.00 C ATOM 736 O ALA A 46 0.336 7.313 10.346 1.00 0.00 O ATOM 737 CB ALA A 46 2.780 5.946 9.971 1.00 0.00 C ATOM 0 H ALA A 46 1.486 3.485 8.650 1.00 0.00 H new ATOM 0 HA ALA A 46 1.352 4.528 10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.785 6.486 10.918 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.586 5.213 9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.925 6.649 9.151 1.00 0.00 H new ATOM 743 N GLY A 47 -0.924 5.723 9.382 1.00 0.00 N ATOM 744 CA GLY A 47 -2.181 6.452 9.370 1.00 0.00 C ATOM 745 C GLY A 47 -2.277 7.485 8.244 1.00 0.00 C ATOM 746 O GLY A 47 -3.364 8.009 8.003 1.00 0.00 O ATOM 0 H GLY A 47 -0.998 4.806 8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.003 5.742 9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.308 6.957 10.328 1.00 0.00 H new ATOM 750 N LYS A 48 -1.175 7.843 7.576 1.00 0.00 N ATOM 751 CA LYS A 48 -1.179 8.818 6.491 1.00 0.00 C ATOM 752 C LYS A 48 -1.666 8.126 5.232 1.00 0.00 C ATOM 753 O LYS A 48 -1.190 7.036 4.908 1.00 0.00 O ATOM 754 CB LYS A 48 0.222 9.410 6.281 1.00 0.00 C ATOM 755 CG LYS A 48 0.271 10.352 5.064 1.00 0.00 C ATOM 756 CD LYS A 48 1.354 11.426 5.179 1.00 0.00 C ATOM 757 CE LYS A 48 0.920 12.496 6.188 1.00 0.00 C ATOM 758 NZ LYS A 48 1.984 13.484 6.425 1.00 0.00 N ATOM 0 H LYS A 48 -0.252 7.459 7.778 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.844 9.645 6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.523 9.956 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.941 8.602 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.446 9.763 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.699 10.834 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.294 10.975 5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.531 11.882 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.028 13.003 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.650 12.019 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.654 14.191 7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.827 13.003 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.224 13.957 5.530 1.00 0.00 H new ATOM 772 N GLN A 49 -2.645 8.731 4.568 1.00 0.00 N ATOM 773 CA GLN A 49 -3.196 8.198 3.337 1.00 0.00 C ATOM 774 C GLN A 49 -2.153 8.473 2.259 1.00 0.00 C ATOM 775 O GLN A 49 -1.566 9.556 2.226 1.00 0.00 O ATOM 776 CB GLN A 49 -4.553 8.811 2.953 1.00 0.00 C ATOM 777 CG GLN A 49 -5.557 9.043 4.099 1.00 0.00 C ATOM 778 CD GLN A 49 -5.209 10.257 4.960 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.632 11.228 4.475 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.469 10.205 6.251 1.00 0.00 N ATOM 0 H GLN A 49 -3.076 9.604 4.872 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.400 7.134 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.368 9.767 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.023 8.161 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.554 9.175 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.592 8.155 4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.948 9.394 6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.191 10.976 6.859 1.00 0.00 H new ATOM 789 N LEU A 50 -1.917 7.491 1.395 1.00 0.00 N ATOM 790 CA LEU A 50 -0.941 7.563 0.323 1.00 0.00 C ATOM 791 C LEU A 50 -1.684 7.550 -1.002 1.00 0.00 C ATOM 792 O LEU A 50 -2.825 7.082 -1.094 1.00 0.00 O ATOM 793 CB LEU A 50 0.048 6.382 0.378 1.00 0.00 C ATOM 794 CG LEU A 50 0.482 5.908 1.780 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.370 4.671 1.642 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.214 6.973 2.597 1.00 0.00 C ATOM 0 H LEU A 50 -2.415 6.601 1.425 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.362 8.480 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.402 5.537 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.942 6.661 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.433 5.679 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.679 4.333 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.813 3.877 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.252 4.920 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.486 6.562 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.116 7.281 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.563 7.836 2.737 1.00 0.00 H new ATOM 808 N GLU A 51 -1.045 8.103 -2.023 1.00 0.00 N ATOM 809 CA GLU A 51 -1.567 8.192 -3.371 1.00 0.00 C ATOM 810 C GLU A 51 -0.405 8.214 -4.367 1.00 0.00 C ATOM 811 O GLU A 51 0.763 8.327 -3.973 1.00 0.00 O ATOM 812 CB GLU A 51 -2.428 9.459 -3.475 1.00 0.00 C ATOM 813 CG GLU A 51 -1.647 10.765 -3.266 1.00 0.00 C ATOM 814 CD GLU A 51 -2.587 11.959 -3.168 1.00 0.00 C ATOM 815 OE1 GLU A 51 -2.590 12.627 -2.104 1.00 0.00 O ATOM 816 OE2 GLU A 51 -3.321 12.243 -4.145 1.00 0.00 O ATOM 0 H GLU A 51 -0.117 8.515 -1.928 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.188 7.328 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.902 9.484 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.228 9.404 -2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.050 10.693 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.952 10.913 -4.093 1.00 0.00 H new ATOM 823 N ASP A 52 -0.745 8.193 -5.652 1.00 0.00 N ATOM 824 CA ASP A 52 0.189 8.184 -6.767 1.00 0.00 C ATOM 825 C ASP A 52 0.855 9.545 -6.937 1.00 0.00 C ATOM 826 O ASP A 52 0.384 10.581 -6.459 1.00 0.00 O ATOM 827 CB ASP A 52 -0.486 7.695 -8.063 1.00 0.00 C ATOM 828 CG ASP A 52 -1.620 8.591 -8.567 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.804 8.217 -8.348 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.339 9.635 -9.190 1.00 0.00 O ATOM 0 H ASP A 52 -1.719 8.181 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 52 0.980 7.469 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.271 7.615 -8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.879 6.692 -7.896 1.00 0.00 H new ATOM 835 N GLY A 53 2.013 9.497 -7.595 1.00 0.00 N ATOM 836 CA GLY A 53 2.888 10.622 -7.876 1.00 0.00 C ATOM 837 C GLY A 53 4.103 10.597 -6.947 1.00 0.00 C ATOM 838 O GLY A 53 5.103 11.247 -7.235 1.00 0.00 O ATOM 0 H GLY A 53 2.381 8.620 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.216 10.585 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.342 11.557 -7.747 1.00 0.00 H new ATOM 842 N ARG A 54 4.014 9.909 -5.801 1.00 0.00 N ATOM 843 CA ARG A 54 5.102 9.779 -4.828 1.00 0.00 C ATOM 844 C ARG A 54 5.721 8.390 -4.791 1.00 0.00 C ATOM 845 O ARG A 54 5.121 7.437 -5.294 1.00 0.00 O ATOM 846 CB ARG A 54 4.621 10.216 -3.450 1.00 0.00 C ATOM 847 CG ARG A 54 4.621 11.733 -3.366 1.00 0.00 C ATOM 848 CD ARG A 54 4.427 12.158 -1.918 1.00 0.00 C ATOM 849 NE ARG A 54 3.716 13.425 -1.790 1.00 0.00 N ATOM 850 CZ ARG A 54 3.460 13.999 -0.617 1.00 0.00 C ATOM 851 NH1 ARG A 54 4.068 13.569 0.484 1.00 0.00 N ATOM 852 NH2 ARG A 54 2.585 14.985 -0.553 1.00 0.00 N ATOM 0 H ARG A 54 3.165 9.418 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 54 5.904 10.441 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.618 9.832 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.269 9.799 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.561 12.130 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.824 12.143 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.875 11.382 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.401 12.243 -1.436 1.00 0.00 H new ATOM 0 HE ARG A 54 3.400 13.893 -2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.733 12.797 0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.870 14.011 1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.111 15.302 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.383 15.430 0.342 1.00 0.00 H new ATOM 866 N THR A 55 6.854 8.287 -4.095 1.00 0.00 N ATOM 867 CA THR A 55 7.647 7.091 -3.894 1.00 0.00 C ATOM 868 C THR A 55 7.711 6.715 -2.408 1.00 0.00 C ATOM 869 O THR A 55 7.292 7.477 -1.532 1.00 0.00 O ATOM 870 CB THR A 55 9.064 7.304 -4.461 1.00 0.00 C ATOM 871 OG1 THR A 55 9.788 8.292 -3.745 1.00 0.00 O ATOM 872 CG2 THR A 55 9.106 7.640 -5.953 1.00 0.00 C ATOM 0 H THR A 55 7.263 9.097 -3.628 1.00 0.00 H new ATOM 0 HA THR A 55 7.172 6.266 -4.424 1.00 0.00 H new ATOM 0 HB THR A 55 9.541 6.332 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.372 9.168 -3.885 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.141 7.773 -6.267 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.656 6.826 -6.522 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.551 8.560 -6.135 1.00 0.00 H new ATOM 880 N LEU A 56 8.284 5.544 -2.120 1.00 0.00 N ATOM 881 CA LEU A 56 8.455 4.997 -0.779 1.00 0.00 C ATOM 882 C LEU A 56 9.129 5.986 0.180 1.00 0.00 C ATOM 883 O LEU A 56 8.635 6.209 1.286 1.00 0.00 O ATOM 884 CB LEU A 56 9.269 3.683 -0.846 1.00 0.00 C ATOM 885 CG LEU A 56 8.519 2.453 -0.289 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.934 1.599 -1.407 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.465 1.576 0.529 1.00 0.00 C ATOM 0 H LEU A 56 8.655 4.930 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 56 7.459 4.797 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.544 3.490 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.197 3.813 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 56 7.711 2.832 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.414 0.743 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.232 2.195 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.737 1.248 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.920 0.714 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.284 1.235 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.867 2.153 1.362 1.00 0.00 H new ATOM 899 N SER A 57 10.263 6.562 -0.225 1.00 0.00 N ATOM 900 CA SER A 57 11.016 7.501 0.599 1.00 0.00 C ATOM 901 C SER A 57 10.239 8.790 0.865 1.00 0.00 C ATOM 902 O SER A 57 10.402 9.384 1.927 1.00 0.00 O ATOM 903 CB SER A 57 12.401 7.784 0.001 1.00 0.00 C ATOM 904 OG SER A 57 13.324 8.011 1.048 1.00 0.00 O ATOM 0 H SER A 57 10.684 6.387 -1.138 1.00 0.00 H new ATOM 0 HA SER A 57 11.168 7.024 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.726 6.941 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.356 8.654 -0.655 1.00 0.00 H new ATOM 0 HG SER A 57 14.210 8.191 0.670 1.00 0.00 H new ATOM 910 N ASP A 58 9.389 9.248 -0.060 1.00 0.00 N ATOM 911 CA ASP A 58 8.617 10.478 0.142 1.00 0.00 C ATOM 912 C ASP A 58 7.727 10.324 1.374 1.00 0.00 C ATOM 913 O ASP A 58 7.680 11.206 2.240 1.00 0.00 O ATOM 914 CB ASP A 58 7.806 10.862 -1.097 1.00 0.00 C ATOM 915 CG ASP A 58 8.689 11.172 -2.300 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.478 10.581 -3.384 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.627 11.984 -2.134 1.00 0.00 O ATOM 0 H ASP A 58 9.219 8.787 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 58 9.315 11.298 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.127 10.048 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.190 11.732 -0.869 1.00 0.00 H new ATOM 922 N TYR A 59 7.058 9.180 1.495 1.00 0.00 N ATOM 923 CA TYR A 59 6.200 8.873 2.635 1.00 0.00 C ATOM 924 C TYR A 59 7.025 8.352 3.824 1.00 0.00 C ATOM 925 O TYR A 59 6.464 8.062 4.885 1.00 0.00 O ATOM 926 CB TYR A 59 5.122 7.882 2.210 1.00 0.00 C ATOM 927 CG TYR A 59 4.170 8.440 1.172 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.240 9.440 1.523 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.196 7.939 -0.140 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.303 9.901 0.581 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.274 8.408 -1.085 1.00 0.00 C ATOM 932 CZ TYR A 59 2.306 9.371 -0.729 1.00 0.00 C ATOM 933 OH TYR A 59 1.396 9.808 -1.643 1.00 0.00 O ATOM 0 H TYR A 59 7.097 8.435 0.799 1.00 0.00 H new ATOM 0 HA TYR A 59 5.710 9.787 2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.599 6.986 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.553 7.576 3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.247 9.854 2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.926 7.193 -0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.584 10.657 0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.304 8.029 -2.096 1.00 0.00 H new ATOM 0 HH TYR A 59 1.485 9.287 -2.468 1.00 0.00 H new ATOM 943 N ASN A 60 8.352 8.279 3.670 1.00 0.00 N ATOM 944 CA ASN A 60 9.352 7.829 4.631 1.00 0.00 C ATOM 945 C ASN A 60 9.066 6.400 5.081 1.00 0.00 C ATOM 946 O ASN A 60 9.104 6.075 6.270 1.00 0.00 O ATOM 947 CB ASN A 60 9.431 8.834 5.786 1.00 0.00 C ATOM 948 CG ASN A 60 10.659 8.689 6.674 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.445 7.751 6.581 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.835 9.644 7.565 1.00 0.00 N ATOM 0 H ASN A 60 8.786 8.559 2.791 1.00 0.00 H new ATOM 0 HA ASN A 60 10.337 7.796 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.415 9.843 5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.539 8.728 6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.637 9.613 8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.169 10.414 7.625 1.00 0.00 H new ATOM 957 N ILE A 61 8.789 5.525 4.118 1.00 0.00 N ATOM 958 CA ILE A 61 8.499 4.125 4.364 1.00 0.00 C ATOM 959 C ILE A 61 9.864 3.441 4.414 1.00 0.00 C ATOM 960 O ILE A 61 10.655 3.557 3.474 1.00 0.00 O ATOM 961 CB ILE A 61 7.593 3.592 3.231 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.207 4.276 3.266 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.392 2.072 3.338 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.418 4.161 1.962 1.00 0.00 C ATOM 0 H ILE A 61 8.761 5.778 3.130 1.00 0.00 H new ATOM 0 HA ILE A 61 7.958 3.941 5.292 1.00 0.00 H new ATOM 0 HB ILE A 61 8.095 3.822 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.619 3.839 4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.341 5.331 3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.750 1.732 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.358 1.572 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.925 1.833 4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.459 4.667 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.983 4.625 1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.249 3.109 1.730 1.00 0.00 H new ATOM 976 N GLN A 62 10.158 2.773 5.528 1.00 0.00 N ATOM 977 CA GLN A 62 11.409 2.053 5.734 1.00 0.00 C ATOM 978 C GLN A 62 11.186 0.572 5.425 1.00 0.00 C ATOM 979 O GLN A 62 10.083 0.162 5.049 1.00 0.00 O ATOM 980 CB GLN A 62 11.944 2.306 7.158 1.00 0.00 C ATOM 981 CG GLN A 62 12.261 3.792 7.422 1.00 0.00 C ATOM 982 CD GLN A 62 13.187 4.385 6.359 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.256 3.849 6.071 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.792 5.479 5.734 1.00 0.00 N ATOM 0 H GLN A 62 9.523 2.717 6.324 1.00 0.00 H new ATOM 0 HA GLN A 62 12.179 2.417 5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.208 1.962 7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.846 1.714 7.313 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.331 4.360 7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.725 3.894 8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.904 5.915 5.981 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.375 5.888 5.004 1.00 0.00 H new ATOM 993 N LYS A 63 12.243 -0.238 5.510 1.00 0.00 N ATOM 994 CA LYS A 63 12.134 -1.666 5.236 1.00 0.00 C ATOM 995 C LYS A 63 11.303 -2.363 6.308 1.00 0.00 C ATOM 996 O LYS A 63 11.179 -1.870 7.438 1.00 0.00 O ATOM 997 CB LYS A 63 13.513 -2.292 5.039 1.00 0.00 C ATOM 998 CG LYS A 63 14.405 -2.259 6.285 1.00 0.00 C ATOM 999 CD LYS A 63 15.644 -3.105 6.010 1.00 0.00 C ATOM 1000 CE LYS A 63 16.789 -2.752 6.955 1.00 0.00 C ATOM 1001 NZ LYS A 63 17.965 -3.595 6.682 1.00 0.00 N ATOM 0 H LYS A 63 13.180 0.072 5.766 1.00 0.00 H new ATOM 0 HA LYS A 63 11.600 -1.805 4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.387 -3.328 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.023 -1.772 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.690 -1.234 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.865 -2.646 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.395 -4.161 6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.964 -2.957 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.053 -1.701 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.470 -2.887 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.734 -3.340 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.714 -4.595 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.279 -3.446 5.702 1.00 0.00 H new ATOM 1015 N GLU A 64 10.736 -3.509 5.937 1.00 0.00 N ATOM 1016 CA GLU A 64 9.879 -4.356 6.751 1.00 0.00 C ATOM 1017 C GLU A 64 8.762 -3.534 7.420 1.00 0.00 C ATOM 1018 O GLU A 64 8.368 -3.767 8.567 1.00 0.00 O ATOM 1019 CB GLU A 64 10.712 -5.236 7.700 1.00 0.00 C ATOM 1020 CG GLU A 64 11.437 -6.370 6.957 1.00 0.00 C ATOM 1021 CD GLU A 64 12.808 -5.980 6.395 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.927 -5.688 5.185 1.00 0.00 O ATOM 1023 OE2 GLU A 64 13.811 -6.079 7.141 1.00 0.00 O ATOM 0 H GLU A 64 10.874 -3.891 5.001 1.00 0.00 H new ATOM 0 HA GLU A 64 9.352 -5.064 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.445 -4.617 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.060 -5.662 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.562 -7.212 7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.806 -6.713 6.137 1.00 0.00 H new ATOM 1030 N SER A 65 8.271 -2.517 6.713 1.00 0.00 N ATOM 1031 CA SER A 65 7.189 -1.659 7.164 1.00 0.00 C ATOM 1032 C SER A 65 5.894 -2.456 6.969 1.00 0.00 C ATOM 1033 O SER A 65 5.863 -3.391 6.173 1.00 0.00 O ATOM 1034 CB SER A 65 7.194 -0.355 6.361 1.00 0.00 C ATOM 1035 OG SER A 65 7.542 -0.583 5.012 1.00 0.00 O ATOM 0 H SER A 65 8.626 -2.265 5.791 1.00 0.00 H new ATOM 0 HA SER A 65 7.294 -1.377 8.212 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.209 0.109 6.411 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.899 0.346 6.807 1.00 0.00 H new ATOM 0 HG SER A 65 8.482 -0.344 4.872 1.00 0.00 H new ATOM 1041 N THR A 66 4.823 -2.116 7.678 1.00 0.00 N ATOM 1042 CA THR A 66 3.542 -2.789 7.560 1.00 0.00 C ATOM 1043 C THR A 66 2.527 -1.690 7.258 1.00 0.00 C ATOM 1044 O THR A 66 2.250 -0.829 8.093 1.00 0.00 O ATOM 1045 CB THR A 66 3.251 -3.652 8.798 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.296 -4.586 9.022 1.00 0.00 O ATOM 1047 CG2 THR A 66 1.972 -4.458 8.577 1.00 0.00 C ATOM 0 H THR A 66 4.824 -1.356 8.358 1.00 0.00 H new ATOM 0 HA THR A 66 3.509 -3.519 6.751 1.00 0.00 H new ATOM 0 HB THR A 66 3.156 -2.980 9.651 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.090 -5.123 9.816 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.770 -5.068 9.457 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.138 -3.777 8.408 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.095 -5.104 7.708 1.00 0.00 H new ATOM 1055 N LEU A 67 1.999 -1.688 6.036 1.00 0.00 N ATOM 1056 CA LEU A 67 1.038 -0.703 5.555 1.00 0.00 C ATOM 1057 C LEU A 67 -0.385 -1.246 5.713 1.00 0.00 C ATOM 1058 O LEU A 67 -0.579 -2.435 5.987 1.00 0.00 O ATOM 1059 CB LEU A 67 1.376 -0.360 4.090 1.00 0.00 C ATOM 1060 CG LEU A 67 2.653 0.500 3.923 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.973 -0.245 4.166 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.703 1.077 2.509 1.00 0.00 C ATOM 0 H LEU A 67 2.235 -2.391 5.336 1.00 0.00 H new ATOM 0 HA LEU A 67 1.096 0.214 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.499 -1.287 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.533 0.171 3.648 1.00 0.00 H new ATOM 0 HG LEU A 67 2.574 1.271 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.809 0.440 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.989 -0.633 5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.059 -1.072 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.603 1.682 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.718 0.263 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.824 1.698 2.338 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.389 -0.378 5.600 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.811 -0.707 5.708 1.00 0.00 C ATOM 1076 C HIS A 68 -3.530 -0.376 4.400 1.00 0.00 C ATOM 1077 O HIS A 68 -3.069 0.467 3.632 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.457 0.101 6.848 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.311 -0.495 8.220 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.315 -0.213 9.131 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.214 -1.329 8.827 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.619 -0.848 10.272 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.750 -1.566 10.126 1.00 0.00 N ATOM 0 H HIS A 68 -1.228 0.614 5.424 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.901 -1.773 5.916 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.021 1.100 6.855 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.519 0.218 6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.115 -1.728 8.385 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.039 -0.792 11.181 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.184 -2.166 10.827 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.662 -1.036 4.157 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.522 -0.853 2.992 1.00 0.00 C ATOM 1093 C LEU A 69 -6.914 -0.501 3.527 1.00 0.00 C ATOM 1094 O LEU A 69 -7.447 -1.240 4.365 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.508 -2.131 2.135 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.261 -2.241 1.237 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -4.095 -3.678 0.730 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.347 -1.297 0.031 1.00 0.00 C ATOM 0 H LEU A 69 -5.019 -1.745 4.797 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.179 -0.050 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.555 -3.001 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.401 -2.153 1.511 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.401 -1.956 1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.210 -3.740 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.982 -4.353 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.975 -3.964 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.450 -1.403 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.223 -1.549 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.429 -0.268 0.380 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.493 0.627 3.100 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.820 1.067 3.547 1.00 0.00 C ATOM 1112 C VAL A 70 -9.670 1.648 2.411 1.00 0.00 C ATOM 1113 O VAL A 70 -9.171 1.915 1.312 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.690 2.085 4.708 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.828 1.590 5.882 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.121 3.416 4.201 1.00 0.00 C ATOM 0 H VAL A 70 -7.054 1.262 2.433 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.343 0.180 3.904 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.703 2.218 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.787 2.360 6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.266 0.683 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.819 1.376 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.038 4.116 5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.135 3.249 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.785 3.830 3.442 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.963 1.830 2.688 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.983 2.385 1.806 1.00 0.00 C ATOM 1128 C LEU A 71 -12.942 3.260 2.614 1.00 0.00 C ATOM 1129 O LEU A 71 -12.666 3.604 3.772 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.715 1.277 1.024 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.716 0.401 1.816 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -14.894 -0.002 0.925 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.047 -0.869 2.340 1.00 0.00 C ATOM 0 H LEU A 71 -11.348 1.575 3.598 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.502 3.015 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.253 1.744 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.964 0.620 0.584 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.070 0.995 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.589 -0.618 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.407 0.893 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.526 -0.569 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.776 -1.463 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.664 -1.451 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.223 -0.600 3.001 1.00 0.00 H new ATOM 1145 N ARG A 72 -14.051 3.672 2.000 1.00 0.00 N ATOM 1146 CA ARG A 72 -15.100 4.463 2.622 1.00 0.00 C ATOM 1147 C ARG A 72 -16.369 4.102 1.872 1.00 0.00 C ATOM 1148 O ARG A 72 -16.371 4.142 0.641 1.00 0.00 O ATOM 1149 CB ARG A 72 -14.829 5.974 2.545 1.00 0.00 C ATOM 1150 CG ARG A 72 -15.299 6.672 3.837 1.00 0.00 C ATOM 1151 CD ARG A 72 -14.089 6.918 4.740 1.00 0.00 C ATOM 1152 NE ARG A 72 -14.437 7.122 6.157 1.00 0.00 N ATOM 1153 CZ ARG A 72 -13.631 6.846 7.192 1.00 0.00 C ATOM 1154 NH1 ARG A 72 -12.357 6.524 6.991 1.00 0.00 N ATOM 1155 NH2 ARG A 72 -14.111 6.906 8.427 1.00 0.00 N ATOM 0 H ARG A 72 -14.246 3.454 1.023 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.168 4.243 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.764 6.152 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.347 6.399 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.788 7.616 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.034 6.054 4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.410 6.069 4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.549 7.793 4.378 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.360 7.502 6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.984 6.485 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.752 6.316 7.785 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.086 7.161 8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.505 6.698 9.220 1.00 0.00 H new ATOM 1169 N LEU A 73 -17.432 3.768 2.591 1.00 0.00 N ATOM 1170 CA LEU A 73 -18.718 3.394 2.026 1.00 0.00 C ATOM 1171 C LEU A 73 -19.755 3.865 3.039 1.00 0.00 C ATOM 1172 O LEU A 73 -19.514 3.747 4.239 1.00 0.00 O ATOM 1173 CB LEU A 73 -18.750 1.858 1.835 1.00 0.00 C ATOM 1174 CG LEU A 73 -19.293 1.423 0.463 1.00 0.00 C ATOM 1175 CD1 LEU A 73 -19.057 -0.071 0.240 1.00 0.00 C ATOM 1176 CD2 LEU A 73 -20.788 1.715 0.328 1.00 0.00 C ATOM 0 H LEU A 73 -17.422 3.750 3.611 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.911 3.841 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.742 1.463 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.365 1.415 2.618 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.755 1.999 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -19.448 -0.359 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.988 -0.280 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.567 -0.640 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -21.134 1.394 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -21.335 1.175 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.961 2.785 0.442 1.00 0.00 H new ATOM 1188 N ARG A 74 -20.879 4.436 2.604 1.00 0.00 N ATOM 1189 CA ARG A 74 -21.931 4.906 3.516 1.00 0.00 C ATOM 1190 C ARG A 74 -23.152 4.006 3.518 1.00 0.00 C ATOM 1191 O ARG A 74 -23.961 4.114 4.439 1.00 0.00 O ATOM 1192 CB ARG A 74 -22.296 6.372 3.247 1.00 0.00 C ATOM 1193 CG ARG A 74 -21.163 7.372 3.543 1.00 0.00 C ATOM 1194 CD ARG A 74 -20.444 7.125 4.882 1.00 0.00 C ATOM 1195 NE ARG A 74 -21.358 7.258 6.032 1.00 0.00 N ATOM 1196 CZ ARG A 74 -21.628 8.382 6.701 1.00 0.00 C ATOM 1197 NH1 ARG A 74 -22.591 8.409 7.604 1.00 0.00 N ATOM 1198 NH2 ARG A 74 -20.937 9.482 6.464 1.00 0.00 N ATOM 0 H ARG A 74 -21.088 4.587 1.617 1.00 0.00 H new ATOM 0 HA ARG A 74 -21.517 4.853 4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -22.592 6.475 2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -23.164 6.635 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.432 7.326 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.574 8.381 3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.007 6.127 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.622 7.833 4.988 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.829 6.410 6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -23.135 7.567 7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.791 9.271 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.192 9.476 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.148 10.337 6.978 1.00 0.00 H new ATOM 1212 N GLY A 75 -23.275 3.094 2.555 1.00 0.00 N ATOM 1213 CA GLY A 75 -24.392 2.167 2.474 1.00 0.00 C ATOM 1214 C GLY A 75 -24.197 0.963 3.404 1.00 0.00 C ATOM 1215 O GLY A 75 -24.796 -0.082 3.151 1.00 0.00 O ATOM 0 H GLY A 75 -22.594 2.980 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -25.315 2.685 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -24.503 1.820 1.447 1.00 0.00 H new ATOM 1219 N GLY A 76 -23.330 1.074 4.414 1.00 0.00 N ATOM 1220 CA GLY A 76 -22.993 0.065 5.396 1.00 0.00 C ATOM 1221 C GLY A 76 -21.916 0.680 6.260 1.00 0.00 C ATOM 1222 O GLY A 76 -22.295 1.421 7.191 1.00 0.00 O ATOM 0 H GLY A 76 -22.812 1.939 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -23.864 -0.209 5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.637 -0.846 4.915 1.00 0.00 H new TER 1226 GLY A 76