USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 760 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 70 GLN : amide:sc= -3.2 K(o=-2.3,f=-11!) USER MOD Set 1.2: B 102 THR OG1 : rot -170:sc= 0.912 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.0459 (180deg=-0.0496) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0119) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -4.18! C(o=-4.2!,f=-4.9!) USER MOD Single : A 15 ASN : amide:sc= -0.0495 X(o=-0.05,f=-0.36) USER MOD Single : A 17 MET CE :methyl -149:sc= -0.834 (180deg=-3.04!) USER MOD Single : A 20 SER OG : rot -3:sc= 0.0523 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.049) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.106) USER MOD Single : A 38 SER OG : rot 16:sc= 1.03 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.711 K(o=-0.71,f=-8.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 77 MET CE :methyl -130:sc= -3.49! (180deg=-7.23!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -110:sc= 1.27 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 91:sc= 0.0574 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 150:sc= 1.21 (180deg=-0.581) USER MOD Single : A 91 GLN : amide:sc= -0.0712 X(o=-0.071,f=0) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.945 6.607 -21.266 1.00 0.00 N ATOM 2 CA MET A 1 -4.212 6.517 -22.046 1.00 0.00 C ATOM 3 C MET A 1 -5.309 5.786 -21.266 1.00 0.00 C ATOM 4 O MET A 1 -6.471 6.194 -21.295 1.00 0.00 O ATOM 5 CB MET A 1 -3.930 5.805 -23.378 1.00 0.00 C ATOM 6 CG MET A 1 -3.713 4.304 -23.253 1.00 0.00 C ATOM 7 SD MET A 1 -2.949 3.590 -24.722 1.00 0.00 S ATOM 8 CE MET A 1 -1.330 3.164 -24.088 1.00 0.00 C ATOM 0 H1 MET A 1 -2.217 7.078 -21.840 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.110 7.155 -20.398 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.623 5.650 -21.015 1.00 0.00 H new ATOM 0 HA MET A 1 -4.576 7.527 -22.236 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.764 5.984 -24.056 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.047 6.251 -23.835 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.084 4.102 -22.386 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.671 3.816 -23.072 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.736 2.710 -24.882 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.831 4.065 -23.731 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.436 2.457 -23.265 1.00 0.00 H new ATOM 20 N LYS A 2 -4.937 4.707 -20.571 1.00 0.00 N ATOM 21 CA LYS A 2 -5.897 3.929 -19.788 1.00 0.00 C ATOM 22 C LYS A 2 -6.270 4.658 -18.496 1.00 0.00 C ATOM 23 O LYS A 2 -5.532 5.528 -18.028 1.00 0.00 O ATOM 24 CB LYS A 2 -5.327 2.546 -19.457 1.00 0.00 C ATOM 25 CG LYS A 2 -6.373 1.441 -19.451 1.00 0.00 C ATOM 26 CD LYS A 2 -6.205 0.520 -18.252 1.00 0.00 C ATOM 27 CE LYS A 2 -7.480 -0.260 -17.969 1.00 0.00 C ATOM 28 NZ LYS A 2 -7.273 -1.323 -16.945 1.00 0.00 N ATOM 0 H LYS A 2 -3.981 4.354 -20.536 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.797 3.808 -20.391 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.553 2.298 -20.183 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.846 2.585 -18.480 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.370 1.882 -19.435 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.296 0.861 -20.370 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.385 -0.174 -18.437 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.934 1.108 -17.375 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.255 0.426 -17.627 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.840 -0.713 -18.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.167 -1.829 -16.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.552 -1.993 -17.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.955 -0.890 -16.055 1.00 0.00 H new ATOM 42 N GLU A 3 -7.420 4.294 -17.926 1.00 0.00 N ATOM 43 CA GLU A 3 -7.893 4.911 -16.691 1.00 0.00 C ATOM 44 C GLU A 3 -8.029 3.877 -15.573 1.00 0.00 C ATOM 45 O GLU A 3 -8.973 3.084 -15.562 1.00 0.00 O ATOM 46 CB GLU A 3 -9.238 5.605 -16.923 1.00 0.00 C ATOM 47 CG GLU A 3 -9.104 7.035 -17.427 1.00 0.00 C ATOM 48 CD GLU A 3 -10.137 7.969 -16.825 1.00 0.00 C ATOM 49 OE1 GLU A 3 -10.308 7.951 -15.586 1.00 0.00 O ATOM 50 OE2 GLU A 3 -10.773 8.720 -17.592 1.00 0.00 O ATOM 0 H GLU A 3 -8.039 3.575 -18.301 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.155 5.652 -16.385 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.817 5.027 -17.643 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.802 5.608 -15.990 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.106 7.406 -17.194 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.202 7.044 -18.513 1.00 0.00 H new ATOM 57 N PRO A 4 -7.080 3.875 -14.612 1.00 0.00 N ATOM 58 CA PRO A 4 -7.095 2.937 -13.479 1.00 0.00 C ATOM 59 C PRO A 4 -8.230 3.226 -12.492 1.00 0.00 C ATOM 60 O PRO A 4 -9.116 4.035 -12.774 1.00 0.00 O ATOM 61 CB PRO A 4 -5.731 3.162 -12.817 1.00 0.00 C ATOM 62 CG PRO A 4 -5.350 4.553 -13.189 1.00 0.00 C ATOM 63 CD PRO A 4 -5.922 4.789 -14.558 1.00 0.00 C ATOM 0 HA PRO A 4 -7.263 1.910 -13.802 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.793 3.045 -11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.995 2.442 -13.174 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.747 5.271 -12.472 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.267 4.673 -13.193 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.224 5.828 -14.693 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.197 4.564 -15.340 1.00 0.00 H new ATOM 71 N GLU A 5 -8.201 2.558 -11.336 1.00 0.00 N ATOM 72 CA GLU A 5 -9.230 2.743 -10.316 1.00 0.00 C ATOM 73 C GLU A 5 -8.611 2.938 -8.936 1.00 0.00 C ATOM 74 O GLU A 5 -8.175 1.981 -8.296 1.00 0.00 O ATOM 75 CB GLU A 5 -10.178 1.545 -10.300 1.00 0.00 C ATOM 76 CG GLU A 5 -11.520 1.838 -9.647 1.00 0.00 C ATOM 77 CD GLU A 5 -12.695 1.390 -10.496 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.803 1.847 -11.654 1.00 0.00 O ATOM 79 OE2 GLU A 5 -13.508 0.580 -10.003 1.00 0.00 O ATOM 0 H GLU A 5 -7.476 1.886 -11.085 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.793 3.643 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.347 1.212 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.699 0.720 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.565 1.339 -8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.601 2.908 -9.458 1.00 0.00 H new ATOM 86 N ILE A 6 -8.582 4.185 -8.486 1.00 0.00 N ATOM 87 CA ILE A 6 -8.021 4.521 -7.180 1.00 0.00 C ATOM 88 C ILE A 6 -9.119 4.596 -6.118 1.00 0.00 C ATOM 89 O ILE A 6 -10.144 5.249 -6.323 1.00 0.00 O ATOM 90 CB ILE A 6 -7.267 5.867 -7.229 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.212 5.848 -8.341 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.620 6.173 -5.884 1.00 0.00 C ATOM 93 CD1 ILE A 6 -6.030 7.187 -9.023 1.00 0.00 C ATOM 0 H ILE A 6 -8.941 4.985 -9.007 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.319 3.730 -6.915 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.987 6.655 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.258 5.531 -7.920 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.495 5.105 -9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.094 7.126 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.390 6.229 -5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.913 5.383 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.269 7.100 -9.798 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.973 7.497 -9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.717 7.930 -8.289 1.00 0.00 H new ATOM 105 N ILE A 7 -8.894 3.928 -4.984 1.00 0.00 N ATOM 106 CA ILE A 7 -9.862 3.923 -3.886 1.00 0.00 C ATOM 107 C ILE A 7 -9.166 3.756 -2.537 1.00 0.00 C ATOM 108 O ILE A 7 -8.069 3.200 -2.459 1.00 0.00 O ATOM 109 CB ILE A 7 -10.914 2.800 -4.042 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.237 1.428 -4.131 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.789 3.048 -5.263 1.00 0.00 C ATOM 112 CD1 ILE A 7 -11.074 0.303 -3.560 1.00 0.00 C ATOM 0 H ILE A 7 -8.050 3.384 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.368 4.887 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.551 2.807 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.013 1.209 -5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.285 1.467 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.522 2.246 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.306 4.001 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.167 3.074 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.533 -0.638 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.277 0.499 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.016 0.238 -4.105 1.00 0.00 H new ATOM 124 N THR A 8 -9.813 4.237 -1.476 1.00 0.00 N ATOM 125 CA THR A 8 -9.257 4.137 -0.129 1.00 0.00 C ATOM 126 C THR A 8 -10.214 3.396 0.801 1.00 0.00 C ATOM 127 O THR A 8 -11.412 3.688 0.837 1.00 0.00 O ATOM 128 CB THR A 8 -8.954 5.531 0.431 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.477 6.393 -0.587 1.00 0.00 O ATOM 130 CG2 THR A 8 -7.920 5.519 1.536 1.00 0.00 C ATOM 0 H THR A 8 -10.721 4.699 -1.524 1.00 0.00 H new ATOM 0 HA THR A 8 -8.327 3.571 -0.189 1.00 0.00 H new ATOM 0 HB THR A 8 -9.900 5.887 0.838 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.292 7.277 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.752 6.537 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.277 4.904 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.985 5.108 1.155 1.00 0.00 H new ATOM 138 N VAL A 9 -9.677 2.433 1.550 1.00 0.00 N ATOM 139 CA VAL A 9 -10.479 1.643 2.481 1.00 0.00 C ATOM 140 C VAL A 9 -10.041 1.879 3.924 1.00 0.00 C ATOM 141 O VAL A 9 -8.846 1.922 4.223 1.00 0.00 O ATOM 142 CB VAL A 9 -10.388 0.133 2.165 1.00 0.00 C ATOM 143 CG1 VAL A 9 -11.392 -0.655 2.995 1.00 0.00 C ATOM 144 CG2 VAL A 9 -10.605 -0.116 0.679 1.00 0.00 C ATOM 0 H VAL A 9 -8.689 2.182 1.529 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.512 1.968 2.361 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.388 -0.211 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.310 -1.715 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.185 -0.505 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.401 -0.310 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.537 -1.185 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.591 0.247 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.842 0.411 0.106 1.00 0.00 H new ATOM 154 N THR A 10 -11.020 2.028 4.816 1.00 0.00 N ATOM 155 CA THR A 10 -10.742 2.257 6.231 1.00 0.00 C ATOM 156 C THR A 10 -10.929 0.970 7.032 1.00 0.00 C ATOM 157 O THR A 10 -12.049 0.472 7.170 1.00 0.00 O ATOM 158 CB THR A 10 -11.652 3.359 6.788 1.00 0.00 C ATOM 159 OG1 THR A 10 -12.005 4.291 5.776 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.020 4.137 7.924 1.00 0.00 C ATOM 0 H THR A 10 -12.012 1.994 4.582 1.00 0.00 H new ATOM 0 HA THR A 10 -9.705 2.579 6.324 1.00 0.00 H new ATOM 0 HB THR A 10 -12.532 2.838 7.164 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.587 4.982 6.156 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.715 4.901 8.273 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.786 3.458 8.744 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.104 4.613 7.574 1.00 0.00 H new ATOM 168 N LEU A 11 -9.824 0.433 7.552 1.00 0.00 N ATOM 169 CA LEU A 11 -9.861 -0.801 8.336 1.00 0.00 C ATOM 170 C LEU A 11 -9.016 -0.677 9.604 1.00 0.00 C ATOM 171 O LEU A 11 -8.249 0.275 9.760 1.00 0.00 O ATOM 172 CB LEU A 11 -9.363 -1.980 7.494 1.00 0.00 C ATOM 173 CG LEU A 11 -10.081 -2.171 6.156 1.00 0.00 C ATOM 174 CD1 LEU A 11 -9.126 -2.721 5.108 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.281 -3.091 6.324 1.00 0.00 C ATOM 0 H LEU A 11 -8.892 0.834 7.444 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.896 -0.979 8.630 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.299 -1.845 7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.468 -2.894 8.079 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.437 -1.199 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.656 -2.849 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.299 -2.025 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.737 -3.684 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.781 -3.216 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.947 -4.062 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.977 -2.654 7.040 1.00 0.00 H new ATOM 187 N LYS A 12 -9.163 -1.649 10.505 1.00 0.00 N ATOM 188 CA LYS A 12 -8.416 -1.660 11.760 1.00 0.00 C ATOM 189 C LYS A 12 -7.377 -2.779 11.764 1.00 0.00 C ATOM 190 O LYS A 12 -7.508 -3.763 11.034 1.00 0.00 O ATOM 191 CB LYS A 12 -9.370 -1.840 12.944 1.00 0.00 C ATOM 192 CG LYS A 12 -8.913 -1.133 14.212 1.00 0.00 C ATOM 193 CD LYS A 12 -9.594 0.219 14.381 1.00 0.00 C ATOM 194 CE LYS A 12 -11.033 0.070 14.858 1.00 0.00 C ATOM 195 NZ LYS A 12 -11.115 -0.276 16.306 1.00 0.00 N ATOM 0 H LYS A 12 -9.795 -2.441 10.387 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.901 -0.704 11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.355 -1.466 12.665 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.480 -2.904 13.152 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.130 -1.760 15.077 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.832 -0.995 14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.034 0.821 15.096 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.579 0.755 13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.572 1.000 14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.529 -0.704 14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.111 -0.284 16.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.699 -1.216 16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.592 0.431 16.862 1.00 0.00 H new ATOM 209 N LYS A 13 -6.348 -2.624 12.595 1.00 0.00 N ATOM 210 CA LYS A 13 -5.291 -3.624 12.697 1.00 0.00 C ATOM 211 C LYS A 13 -5.668 -4.715 13.700 1.00 0.00 C ATOM 212 O LYS A 13 -5.083 -4.806 14.782 1.00 0.00 O ATOM 213 CB LYS A 13 -3.975 -2.965 13.111 1.00 0.00 C ATOM 214 CG LYS A 13 -3.308 -2.180 11.995 1.00 0.00 C ATOM 215 CD LYS A 13 -2.134 -1.369 12.519 1.00 0.00 C ATOM 216 CE LYS A 13 -0.799 -1.962 12.088 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.288 -2.960 13.070 1.00 0.00 N ATOM 0 H LYS A 13 -6.225 -1.816 13.206 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.165 -4.085 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.162 -2.297 13.952 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.288 -3.735 13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.963 -2.865 11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.035 -1.514 11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.210 -0.344 12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.178 -1.327 13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.911 -2.437 11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.068 -1.162 11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.622 -3.339 12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.156 -2.502 13.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.973 -3.737 13.164 1.00 0.00 H new ATOM 231 N GLN A 14 -6.656 -5.535 13.330 1.00 0.00 N ATOM 232 CA GLN A 14 -7.132 -6.625 14.189 1.00 0.00 C ATOM 233 C GLN A 14 -5.971 -7.390 14.828 1.00 0.00 C ATOM 234 O GLN A 14 -6.021 -7.740 16.009 1.00 0.00 O ATOM 235 CB GLN A 14 -8.045 -7.597 13.415 1.00 0.00 C ATOM 236 CG GLN A 14 -7.396 -8.258 12.206 1.00 0.00 C ATOM 237 CD GLN A 14 -7.392 -7.358 10.990 1.00 0.00 C ATOM 238 OE1 GLN A 14 -8.375 -7.283 10.255 1.00 0.00 O ATOM 239 NE2 GLN A 14 -6.281 -6.669 10.772 1.00 0.00 N ATOM 0 H GLN A 14 -7.144 -5.464 12.437 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.716 -6.164 14.986 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.385 -8.375 14.098 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.931 -7.055 13.083 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.371 -8.535 12.453 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.927 -9.180 11.971 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.490 -6.763 11.409 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.217 -6.045 9.968 1.00 0.00 H new ATOM 248 N ASN A 15 -4.927 -7.635 14.040 1.00 0.00 N ATOM 249 CA ASN A 15 -3.743 -8.345 14.510 1.00 0.00 C ATOM 250 C ASN A 15 -2.647 -8.317 13.440 1.00 0.00 C ATOM 251 O ASN A 15 -2.005 -9.332 13.161 1.00 0.00 O ATOM 252 CB ASN A 15 -4.096 -9.792 14.882 1.00 0.00 C ATOM 253 CG ASN A 15 -3.345 -10.267 16.112 1.00 0.00 C ATOM 254 OD1 ASN A 15 -3.278 -9.565 17.122 1.00 0.00 O ATOM 255 ND2 ASN A 15 -2.773 -11.463 16.034 1.00 0.00 N ATOM 0 H ASN A 15 -4.879 -7.348 13.062 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.369 -7.843 15.402 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.168 -9.868 15.061 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.866 -10.448 14.042 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.254 -11.833 16.830 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.853 -12.012 15.178 1.00 0.00 H new ATOM 262 N GLY A 16 -2.451 -7.140 12.839 1.00 0.00 N ATOM 263 CA GLY A 16 -1.447 -6.982 11.800 1.00 0.00 C ATOM 264 C GLY A 16 -2.057 -6.982 10.408 1.00 0.00 C ATOM 265 O GLY A 16 -3.112 -7.581 10.187 1.00 0.00 O ATOM 0 H GLY A 16 -2.974 -6.292 13.057 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.907 -6.049 11.958 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.718 -7.789 11.876 1.00 0.00 H new ATOM 269 N MET A 17 -1.395 -6.306 9.469 1.00 0.00 N ATOM 270 CA MET A 17 -1.880 -6.231 8.092 1.00 0.00 C ATOM 271 C MET A 17 -1.638 -7.548 7.359 1.00 0.00 C ATOM 272 O MET A 17 -2.557 -8.112 6.765 1.00 0.00 O ATOM 273 CB MET A 17 -1.201 -5.077 7.344 1.00 0.00 C ATOM 274 CG MET A 17 -2.051 -3.820 7.261 1.00 0.00 C ATOM 275 SD MET A 17 -1.261 -2.398 8.042 1.00 0.00 S ATOM 276 CE MET A 17 0.101 -2.094 6.917 1.00 0.00 C ATOM 0 H MET A 17 -0.523 -5.804 9.637 1.00 0.00 H new ATOM 0 HA MET A 17 -2.954 -6.045 8.122 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.261 -4.837 7.840 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.954 -5.405 6.334 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.253 -3.590 6.215 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.014 -4.004 7.738 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.944 -1.680 7.470 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.400 -3.031 6.446 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.212 -1.386 6.150 1.00 0.00 H new ATOM 286 N GLY A 18 -0.398 -8.035 7.412 1.00 0.00 N ATOM 287 CA GLY A 18 -0.055 -9.287 6.759 1.00 0.00 C ATOM 288 C GLY A 18 -0.200 -9.230 5.250 1.00 0.00 C ATOM 289 O GLY A 18 -1.204 -9.682 4.702 1.00 0.00 O ATOM 0 H GLY A 18 0.376 -7.582 7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.972 -9.551 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.692 -10.080 7.150 1.00 0.00 H new ATOM 293 N LEU A 19 0.805 -8.670 4.580 1.00 0.00 N ATOM 294 CA LEU A 19 0.796 -8.560 3.121 1.00 0.00 C ATOM 295 C LEU A 19 2.209 -8.329 2.583 1.00 0.00 C ATOM 296 O LEU A 19 3.169 -8.260 3.351 1.00 0.00 O ATOM 297 CB LEU A 19 -0.132 -7.429 2.674 1.00 0.00 C ATOM 298 CG LEU A 19 0.260 -6.042 3.177 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.027 -5.284 2.103 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.970 -5.263 3.616 1.00 0.00 C ATOM 0 H LEU A 19 1.638 -8.284 5.024 1.00 0.00 H new ATOM 0 HA LEU A 19 0.423 -9.500 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.160 -7.410 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.143 -7.651 3.015 1.00 0.00 H new ATOM 0 HG LEU A 19 0.911 -6.160 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.299 -4.297 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.931 -5.835 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.401 -5.176 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.669 -4.277 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.651 -5.152 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.473 -5.800 4.420 1.00 0.00 H new ATOM 312 N SER A 20 2.330 -8.207 1.261 1.00 0.00 N ATOM 313 CA SER A 20 3.625 -7.982 0.625 1.00 0.00 C ATOM 314 C SER A 20 3.593 -6.734 -0.263 1.00 0.00 C ATOM 315 O SER A 20 2.593 -6.467 -0.932 1.00 0.00 O ATOM 316 CB SER A 20 4.023 -9.207 -0.202 1.00 0.00 C ATOM 317 OG SER A 20 4.495 -10.253 0.631 1.00 0.00 O ATOM 0 H SER A 20 1.546 -8.260 0.611 1.00 0.00 H new ATOM 0 HA SER A 20 4.366 -7.822 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.166 -9.555 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.797 -8.931 -0.918 1.00 0.00 H new ATOM 0 HG SER A 20 4.515 -9.946 1.562 1.00 0.00 H new ATOM 323 N ILE A 21 4.691 -5.973 -0.260 1.00 0.00 N ATOM 324 CA ILE A 21 4.786 -4.751 -1.065 1.00 0.00 C ATOM 325 C ILE A 21 6.140 -4.641 -1.775 1.00 0.00 C ATOM 326 O ILE A 21 7.126 -5.251 -1.354 1.00 0.00 O ATOM 327 CB ILE A 21 4.556 -3.485 -0.205 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.672 -3.316 0.833 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.201 -3.551 0.480 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.856 -2.518 0.328 1.00 0.00 C ATOM 0 H ILE A 21 5.525 -6.180 0.289 1.00 0.00 H new ATOM 0 HA ILE A 21 4.000 -4.817 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 21 4.574 -2.618 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.264 -2.824 1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.016 -4.301 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.053 -2.654 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.416 -3.617 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.161 -4.430 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.605 -2.440 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.290 -3.019 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.526 -1.520 0.041 1.00 0.00 H new ATOM 342 N VAL A 22 6.173 -3.860 -2.861 1.00 0.00 N ATOM 343 CA VAL A 22 7.396 -3.666 -3.646 1.00 0.00 C ATOM 344 C VAL A 22 7.474 -2.242 -4.210 1.00 0.00 C ATOM 345 O VAL A 22 6.451 -1.626 -4.505 1.00 0.00 O ATOM 346 CB VAL A 22 7.466 -4.678 -4.816 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.719 -4.468 -5.659 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.407 -6.107 -4.295 1.00 0.00 C ATOM 0 H VAL A 22 5.364 -3.351 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 22 8.239 -3.829 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 22 6.600 -4.505 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.737 -5.195 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.714 -3.460 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.603 -4.599 -5.035 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.458 -6.802 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.248 -6.285 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.473 -6.259 -3.754 1.00 0.00 H new ATOM 358 N ALA A 23 8.698 -1.728 -4.355 1.00 0.00 N ATOM 359 CA ALA A 23 8.915 -0.381 -4.884 1.00 0.00 C ATOM 360 C ALA A 23 9.332 -0.424 -6.352 1.00 0.00 C ATOM 361 O ALA A 23 10.224 -1.189 -6.729 1.00 0.00 O ATOM 362 CB ALA A 23 9.968 0.348 -4.060 1.00 0.00 C ATOM 0 H ALA A 23 9.555 -2.226 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 23 7.972 0.162 -4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.119 1.349 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.633 0.422 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.907 -0.204 -4.099 1.00 0.00 H new ATOM 368 N ALA A 24 8.683 0.399 -7.177 1.00 0.00 N ATOM 369 CA ALA A 24 8.988 0.453 -8.606 1.00 0.00 C ATOM 370 C ALA A 24 8.944 1.886 -9.134 1.00 0.00 C ATOM 371 O ALA A 24 8.153 2.708 -8.666 1.00 0.00 O ATOM 372 CB ALA A 24 8.019 -0.425 -9.384 1.00 0.00 C ATOM 0 H ALA A 24 7.944 1.036 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 24 10.002 0.077 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.257 -0.376 -10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.105 -1.456 -9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.000 -0.073 -9.224 1.00 0.00 H new ATOM 378 N LYS A 25 9.800 2.174 -10.116 1.00 0.00 N ATOM 379 CA LYS A 25 9.867 3.503 -10.721 1.00 0.00 C ATOM 380 C LYS A 25 9.635 3.429 -12.231 1.00 0.00 C ATOM 381 O LYS A 25 9.422 2.347 -12.784 1.00 0.00 O ATOM 382 CB LYS A 25 11.224 4.152 -10.428 1.00 0.00 C ATOM 383 CG LYS A 25 11.116 5.580 -9.920 1.00 0.00 C ATOM 384 CD LYS A 25 12.475 6.140 -9.530 1.00 0.00 C ATOM 385 CE LYS A 25 12.466 7.661 -9.505 1.00 0.00 C ATOM 386 NZ LYS A 25 13.833 8.227 -9.324 1.00 0.00 N ATOM 0 H LYS A 25 10.458 1.501 -10.510 1.00 0.00 H new ATOM 0 HA LYS A 25 9.079 4.115 -10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.753 3.551 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.826 4.143 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.671 6.208 -10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.448 5.611 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.758 5.761 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.229 5.791 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.039 8.036 -10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.821 8.006 -8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.780 9.266 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.232 7.891 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.443 7.920 -10.109 1.00 0.00 H new ATOM 400 N GLY A 26 9.679 4.586 -12.893 1.00 0.00 N ATOM 401 CA GLY A 26 9.475 4.635 -14.328 1.00 0.00 C ATOM 402 C GLY A 26 9.978 5.930 -14.921 1.00 0.00 C ATOM 403 O GLY A 26 11.020 6.445 -14.506 1.00 0.00 O ATOM 0 H GLY A 26 9.853 5.491 -12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.989 3.796 -14.797 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.414 4.522 -14.549 1.00 0.00 H new ATOM 407 N ALA A 27 9.235 6.467 -15.879 1.00 0.00 N ATOM 408 CA ALA A 27 9.612 7.720 -16.512 1.00 0.00 C ATOM 409 C ALA A 27 8.667 8.842 -16.096 1.00 0.00 C ATOM 410 O ALA A 27 7.483 8.605 -15.847 1.00 0.00 O ATOM 411 CB ALA A 27 9.637 7.574 -18.028 1.00 0.00 C ATOM 0 H ALA A 27 8.371 6.055 -16.233 1.00 0.00 H new ATOM 0 HA ALA A 27 10.617 7.979 -16.178 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.922 8.524 -18.480 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.360 6.808 -18.308 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.647 7.286 -18.382 1.00 0.00 H new ATOM 417 N GLY A 28 9.200 10.061 -16.006 1.00 0.00 N ATOM 418 CA GLY A 28 8.391 11.198 -15.600 1.00 0.00 C ATOM 419 C GLY A 28 7.802 10.999 -14.217 1.00 0.00 C ATOM 420 O GLY A 28 6.637 11.319 -13.976 1.00 0.00 O ATOM 0 H GLY A 28 10.176 10.280 -16.207 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.001 12.101 -15.610 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.587 11.349 -16.320 1.00 0.00 H new ATOM 424 N GLN A 29 8.614 10.450 -13.315 1.00 0.00 N ATOM 425 CA GLN A 29 8.182 10.183 -11.952 1.00 0.00 C ATOM 426 C GLN A 29 9.226 10.659 -10.947 1.00 0.00 C ATOM 427 O GLN A 29 10.275 10.031 -10.783 1.00 0.00 O ATOM 428 CB GLN A 29 7.933 8.686 -11.767 1.00 0.00 C ATOM 429 CG GLN A 29 6.942 8.365 -10.660 1.00 0.00 C ATOM 430 CD GLN A 29 5.684 7.700 -11.181 1.00 0.00 C ATOM 431 OE1 GLN A 29 4.571 8.106 -10.848 1.00 0.00 O ATOM 432 NE2 GLN A 29 5.853 6.672 -12.007 1.00 0.00 N ATOM 0 H GLN A 29 9.579 10.182 -13.509 1.00 0.00 H new ATOM 0 HA GLN A 29 7.256 10.730 -11.774 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.565 8.269 -12.704 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.880 8.193 -11.549 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.418 7.712 -9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.674 9.284 -10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.794 6.368 -12.257 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.042 6.187 -12.391 1.00 0.00 H new ATOM 441 N ASP A 30 8.927 11.764 -10.269 1.00 0.00 N ATOM 442 CA ASP A 30 9.835 12.316 -9.267 1.00 0.00 C ATOM 443 C ASP A 30 9.532 11.745 -7.877 1.00 0.00 C ATOM 444 O ASP A 30 9.843 12.368 -6.859 1.00 0.00 O ATOM 445 CB ASP A 30 9.733 13.846 -9.246 1.00 0.00 C ATOM 446 CG ASP A 30 11.068 14.515 -8.975 1.00 0.00 C ATOM 447 OD1 ASP A 30 11.791 14.057 -8.064 1.00 0.00 O ATOM 448 OD2 ASP A 30 11.389 15.502 -9.671 1.00 0.00 O ATOM 0 H ASP A 30 8.065 12.294 -10.395 1.00 0.00 H new ATOM 0 HA ASP A 30 10.852 12.032 -9.536 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.344 14.194 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.017 14.149 -8.482 1.00 0.00 H new ATOM 453 N LYS A 31 8.923 10.555 -7.841 1.00 0.00 N ATOM 454 CA LYS A 31 8.576 9.898 -6.586 1.00 0.00 C ATOM 455 C LYS A 31 8.739 8.380 -6.708 1.00 0.00 C ATOM 456 O LYS A 31 9.355 7.887 -7.657 1.00 0.00 O ATOM 457 CB LYS A 31 7.134 10.245 -6.189 1.00 0.00 C ATOM 458 CG LYS A 31 6.821 11.734 -6.232 1.00 0.00 C ATOM 459 CD LYS A 31 7.450 12.473 -5.061 1.00 0.00 C ATOM 460 CE LYS A 31 7.323 13.981 -5.220 1.00 0.00 C ATOM 461 NZ LYS A 31 6.177 14.528 -4.441 1.00 0.00 N ATOM 0 H LYS A 31 8.661 10.028 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 31 9.253 10.256 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.449 9.721 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.946 9.874 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.187 12.156 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.741 11.880 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.970 12.162 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.503 12.202 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.246 14.459 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.194 14.225 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.125 15.558 -4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.293 14.091 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.312 14.318 -3.431 1.00 0.00 H new ATOM 475 N LEU A 32 8.184 7.643 -5.745 1.00 0.00 N ATOM 476 CA LEU A 32 8.266 6.184 -5.745 1.00 0.00 C ATOM 477 C LEU A 32 6.933 5.566 -5.329 1.00 0.00 C ATOM 478 O LEU A 32 6.306 6.013 -4.365 1.00 0.00 O ATOM 479 CB LEU A 32 9.378 5.714 -4.802 1.00 0.00 C ATOM 480 CG LEU A 32 10.168 4.493 -5.287 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.722 4.727 -6.687 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.292 4.165 -4.313 1.00 0.00 C ATOM 0 H LEU A 32 7.672 8.034 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 32 8.498 5.857 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.073 6.539 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.937 5.481 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 32 9.489 3.642 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.279 3.847 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.899 4.909 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.385 5.592 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.843 3.296 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.968 5.017 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.871 3.947 -3.331 1.00 0.00 H new ATOM 494 N GLY A 33 6.505 4.540 -6.063 1.00 0.00 N ATOM 495 CA GLY A 33 5.249 3.878 -5.758 1.00 0.00 C ATOM 496 C GLY A 33 5.445 2.502 -5.146 1.00 0.00 C ATOM 497 O GLY A 33 6.158 1.666 -5.704 1.00 0.00 O ATOM 0 H GLY A 33 7.007 4.156 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.674 4.498 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.661 3.785 -6.671 1.00 0.00 H new ATOM 501 N ILE A 34 4.808 2.266 -3.996 1.00 0.00 N ATOM 502 CA ILE A 34 4.914 0.980 -3.310 1.00 0.00 C ATOM 503 C ILE A 34 3.735 0.078 -3.675 1.00 0.00 C ATOM 504 O ILE A 34 2.665 0.156 -3.074 1.00 0.00 O ATOM 505 CB ILE A 34 4.984 1.158 -1.773 1.00 0.00 C ATOM 506 CG1 ILE A 34 6.300 1.833 -1.374 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.843 -0.183 -1.061 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.433 3.253 -1.879 1.00 0.00 C ATOM 0 H ILE A 34 4.215 2.948 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 34 5.841 0.510 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 34 4.154 1.795 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.382 1.834 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.132 1.241 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.896 -0.030 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.883 -0.632 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.649 -0.847 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.389 3.665 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.383 3.258 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.622 3.860 -1.476 1.00 0.00 H new ATOM 520 N TYR A 35 3.948 -0.771 -4.673 1.00 0.00 N ATOM 521 CA TYR A 35 2.916 -1.695 -5.145 1.00 0.00 C ATOM 522 C TYR A 35 2.787 -2.908 -4.219 1.00 0.00 C ATOM 523 O TYR A 35 3.631 -3.129 -3.351 1.00 0.00 O ATOM 524 CB TYR A 35 3.244 -2.157 -6.568 1.00 0.00 C ATOM 525 CG TYR A 35 3.389 -1.024 -7.563 1.00 0.00 C ATOM 526 CD1 TYR A 35 4.575 -0.302 -7.661 1.00 0.00 C ATOM 527 CD2 TYR A 35 2.342 -0.679 -8.405 1.00 0.00 C ATOM 528 CE1 TYR A 35 4.707 0.732 -8.568 1.00 0.00 C ATOM 529 CE2 TYR A 35 2.468 0.351 -9.315 1.00 0.00 C ATOM 530 CZ TYR A 35 3.651 1.054 -9.394 1.00 0.00 C ATOM 531 OH TYR A 35 3.778 2.080 -10.302 1.00 0.00 O ATOM 0 H TYR A 35 4.832 -0.841 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 35 1.962 -1.167 -5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.170 -2.731 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.459 -2.830 -6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.405 -0.554 -7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.412 -1.226 -8.347 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.633 1.285 -8.630 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.642 0.605 -9.963 1.00 0.00 H new ATOM 0 HH TYR A 35 2.943 2.176 -10.806 1.00 0.00 H new ATOM 541 N VAL A 36 1.724 -3.693 -4.417 1.00 0.00 N ATOM 542 CA VAL A 36 1.484 -4.887 -3.604 1.00 0.00 C ATOM 543 C VAL A 36 1.892 -6.156 -4.354 1.00 0.00 C ATOM 544 O VAL A 36 1.553 -6.333 -5.526 1.00 0.00 O ATOM 545 CB VAL A 36 -0.001 -5.012 -3.193 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.189 -6.136 -2.184 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.520 -3.698 -2.629 1.00 0.00 C ATOM 0 H VAL A 36 1.017 -3.523 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 36 2.094 -4.778 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.578 -5.252 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.241 -6.206 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.134 -7.079 -2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.406 -5.929 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.567 -3.811 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.064 -3.423 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.430 -2.917 -3.384 1.00 0.00 H new ATOM 557 N LYS A 37 2.612 -7.037 -3.662 1.00 0.00 N ATOM 558 CA LYS A 37 3.067 -8.299 -4.243 1.00 0.00 C ATOM 559 C LYS A 37 2.128 -9.446 -3.861 1.00 0.00 C ATOM 560 O LYS A 37 1.825 -10.308 -4.687 1.00 0.00 O ATOM 561 CB LYS A 37 4.491 -8.617 -3.770 1.00 0.00 C ATOM 562 CG LYS A 37 5.271 -9.511 -4.724 1.00 0.00 C ATOM 563 CD LYS A 37 6.773 -9.393 -4.503 1.00 0.00 C ATOM 564 CE LYS A 37 7.354 -10.654 -3.876 1.00 0.00 C ATOM 565 NZ LYS A 37 8.754 -10.909 -4.325 1.00 0.00 N ATOM 0 H LYS A 37 2.894 -6.899 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 37 3.063 -8.193 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.036 -7.683 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.440 -9.100 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.963 -10.547 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.032 -9.242 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.266 -9.200 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.979 -8.538 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.333 -10.561 -2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.729 -11.509 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.235 -11.519 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.741 -11.381 -5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.263 -10.006 -4.403 1.00 0.00 H new ATOM 579 N SER A 38 1.677 -9.449 -2.604 1.00 0.00 N ATOM 580 CA SER A 38 0.778 -10.491 -2.109 1.00 0.00 C ATOM 581 C SER A 38 0.040 -10.030 -0.849 1.00 0.00 C ATOM 582 O SER A 38 0.317 -8.953 -0.316 1.00 0.00 O ATOM 583 CB SER A 38 1.568 -11.772 -1.810 1.00 0.00 C ATOM 584 OG SER A 38 1.898 -12.462 -3.003 1.00 0.00 O ATOM 0 H SER A 38 1.921 -8.741 -1.911 1.00 0.00 H new ATOM 0 HA SER A 38 0.039 -10.695 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.480 -11.522 -1.268 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.980 -12.422 -1.162 1.00 0.00 H new ATOM 0 HG SER A 38 1.780 -11.864 -3.770 1.00 0.00 H new ATOM 590 N VAL A 39 -0.897 -10.855 -0.374 1.00 0.00 N ATOM 591 CA VAL A 39 -1.670 -10.539 0.827 1.00 0.00 C ATOM 592 C VAL A 39 -1.804 -11.767 1.724 1.00 0.00 C ATOM 593 O VAL A 39 -2.289 -12.813 1.292 1.00 0.00 O ATOM 594 CB VAL A 39 -3.081 -10.013 0.484 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.786 -9.515 1.740 1.00 0.00 C ATOM 596 CG2 VAL A 39 -3.005 -8.911 -0.564 1.00 0.00 C ATOM 0 H VAL A 39 -1.138 -11.748 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.125 -9.755 1.352 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.662 -10.836 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.779 -9.148 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.878 -10.333 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.206 -8.707 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.010 -8.555 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.405 -8.085 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.545 -9.303 -1.471 1.00 0.00 H new ATOM 606 N VAL A 40 -1.366 -11.629 2.973 1.00 0.00 N ATOM 607 CA VAL A 40 -1.430 -12.725 3.939 1.00 0.00 C ATOM 608 C VAL A 40 -2.833 -12.861 4.531 1.00 0.00 C ATOM 609 O VAL A 40 -3.586 -11.888 4.603 1.00 0.00 O ATOM 610 CB VAL A 40 -0.415 -12.521 5.087 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.382 -13.733 6.006 1.00 0.00 C ATOM 612 CG2 VAL A 40 0.974 -12.231 4.535 1.00 0.00 C ATOM 0 H VAL A 40 -0.962 -10.768 3.341 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.180 -13.638 3.398 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.739 -11.660 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.340 -13.564 6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.371 -13.890 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.091 -14.615 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.672 -12.091 5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.303 -13.068 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.943 -11.326 3.929 1.00 0.00 H new ATOM 622 N LYS A 41 -3.173 -14.078 4.958 1.00 0.00 N ATOM 623 CA LYS A 41 -4.482 -14.353 5.551 1.00 0.00 C ATOM 624 C LYS A 41 -4.594 -13.743 6.946 1.00 0.00 C ATOM 625 O LYS A 41 -3.590 -13.562 7.638 1.00 0.00 O ATOM 626 CB LYS A 41 -4.722 -15.864 5.632 1.00 0.00 C ATOM 627 CG LYS A 41 -6.015 -16.316 4.970 1.00 0.00 C ATOM 628 CD LYS A 41 -5.862 -16.424 3.461 1.00 0.00 C ATOM 629 CE LYS A 41 -6.837 -17.432 2.868 1.00 0.00 C ATOM 630 NZ LYS A 41 -8.255 -16.990 3.000 1.00 0.00 N ATOM 0 H LYS A 41 -2.558 -14.890 4.904 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.239 -13.899 4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.885 -16.381 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.737 -16.165 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.314 -17.282 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.812 -15.610 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.028 -15.447 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.841 -16.719 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.603 -17.585 1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.710 -18.393 3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.882 -17.707 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.489 -16.869 4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.384 -16.086 2.503 1.00 0.00 H new ATOM 644 N GLY A 42 -5.824 -13.437 7.354 1.00 0.00 N ATOM 645 CA GLY A 42 -6.053 -12.857 8.668 1.00 0.00 C ATOM 646 C GLY A 42 -5.747 -11.368 8.732 1.00 0.00 C ATOM 647 O GLY A 42 -5.746 -10.781 9.816 1.00 0.00 O ATOM 0 H GLY A 42 -6.667 -13.580 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.093 -13.019 8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.437 -13.379 9.400 1.00 0.00 H new ATOM 651 N GLY A 43 -5.496 -10.752 7.575 1.00 0.00 N ATOM 652 CA GLY A 43 -5.200 -9.332 7.537 1.00 0.00 C ATOM 653 C GLY A 43 -6.427 -8.494 7.226 1.00 0.00 C ATOM 654 O GLY A 43 -7.383 -8.987 6.628 1.00 0.00 O ATOM 0 H GLY A 43 -5.493 -11.214 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.787 -9.024 8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.434 -9.143 6.785 1.00 0.00 H new ATOM 658 N ALA A 44 -6.397 -7.225 7.631 1.00 0.00 N ATOM 659 CA ALA A 44 -7.515 -6.309 7.393 1.00 0.00 C ATOM 660 C ALA A 44 -7.902 -6.269 5.913 1.00 0.00 C ATOM 661 O ALA A 44 -9.086 -6.294 5.573 1.00 0.00 O ATOM 662 CB ALA A 44 -7.165 -4.910 7.884 1.00 0.00 C ATOM 0 H ALA A 44 -5.610 -6.806 8.126 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.374 -6.679 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.005 -4.239 7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.952 -4.942 8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.287 -4.546 7.350 1.00 0.00 H new ATOM 668 N ALA A 45 -6.896 -6.214 5.039 1.00 0.00 N ATOM 669 CA ALA A 45 -7.130 -6.178 3.596 1.00 0.00 C ATOM 670 C ALA A 45 -7.675 -7.513 3.090 1.00 0.00 C ATOM 671 O ALA A 45 -8.487 -7.550 2.164 1.00 0.00 O ATOM 672 CB ALA A 45 -5.845 -5.824 2.859 1.00 0.00 C ATOM 0 H ALA A 45 -5.912 -6.193 5.306 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.877 -5.409 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.035 -5.801 1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.496 -4.845 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.083 -6.572 3.076 1.00 0.00 H new ATOM 678 N ASP A 46 -7.218 -8.608 3.701 1.00 0.00 N ATOM 679 CA ASP A 46 -7.655 -9.946 3.312 1.00 0.00 C ATOM 680 C ASP A 46 -9.084 -10.223 3.781 1.00 0.00 C ATOM 681 O ASP A 46 -9.906 -10.731 3.017 1.00 0.00 O ATOM 682 CB ASP A 46 -6.704 -11.003 3.883 1.00 0.00 C ATOM 683 CG ASP A 46 -6.896 -12.363 3.241 1.00 0.00 C ATOM 684 OD1 ASP A 46 -6.406 -12.560 2.110 1.00 0.00 O ATOM 685 OD2 ASP A 46 -7.536 -13.232 3.870 1.00 0.00 O ATOM 0 H ASP A 46 -6.545 -8.592 4.467 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.638 -9.998 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.674 -10.678 3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.862 -11.087 4.958 1.00 0.00 H new ATOM 690 N VAL A 47 -9.372 -9.890 5.039 1.00 0.00 N ATOM 691 CA VAL A 47 -10.702 -10.107 5.610 1.00 0.00 C ATOM 692 C VAL A 47 -11.765 -9.319 4.847 1.00 0.00 C ATOM 693 O VAL A 47 -12.800 -9.867 4.464 1.00 0.00 O ATOM 694 CB VAL A 47 -10.759 -9.705 7.102 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.117 -10.045 7.706 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.639 -10.374 7.889 1.00 0.00 C ATOM 0 H VAL A 47 -8.702 -9.469 5.683 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.905 -11.174 5.523 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.620 -8.626 7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.132 -9.753 8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.899 -9.508 7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.293 -11.118 7.626 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.701 -10.075 8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.738 -11.457 7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.675 -10.069 7.481 1.00 0.00 H new ATOM 706 N ASP A 48 -11.503 -8.030 4.632 1.00 0.00 N ATOM 707 CA ASP A 48 -12.437 -7.163 3.918 1.00 0.00 C ATOM 708 C ASP A 48 -12.601 -7.607 2.464 1.00 0.00 C ATOM 709 O ASP A 48 -13.720 -7.670 1.950 1.00 0.00 O ATOM 710 CB ASP A 48 -11.959 -5.709 3.973 1.00 0.00 C ATOM 711 CG ASP A 48 -13.107 -4.716 3.941 1.00 0.00 C ATOM 712 OD1 ASP A 48 -14.024 -4.837 4.781 1.00 0.00 O ATOM 713 OD2 ASP A 48 -13.084 -3.815 3.078 1.00 0.00 O ATOM 0 H ASP A 48 -10.651 -7.564 4.943 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.408 -7.238 4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.376 -5.556 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.294 -5.517 3.131 1.00 0.00 H new ATOM 718 N GLY A 49 -11.482 -7.912 1.807 1.00 0.00 N ATOM 719 CA GLY A 49 -11.524 -8.346 0.421 1.00 0.00 C ATOM 720 C GLY A 49 -11.839 -7.217 -0.548 1.00 0.00 C ATOM 721 O GLY A 49 -12.407 -7.454 -1.615 1.00 0.00 O ATOM 0 H GLY A 49 -10.547 -7.866 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.563 -8.787 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.275 -9.129 0.314 1.00 0.00 H new ATOM 725 N ARG A 50 -11.467 -5.988 -0.182 1.00 0.00 N ATOM 726 CA ARG A 50 -11.714 -4.829 -1.038 1.00 0.00 C ATOM 727 C ARG A 50 -10.684 -4.753 -2.162 1.00 0.00 C ATOM 728 O ARG A 50 -11.038 -4.562 -3.326 1.00 0.00 O ATOM 729 CB ARG A 50 -11.687 -3.533 -0.220 1.00 0.00 C ATOM 730 CG ARG A 50 -13.069 -2.977 0.088 1.00 0.00 C ATOM 731 CD ARG A 50 -13.462 -1.870 -0.881 1.00 0.00 C ATOM 732 NE ARG A 50 -13.759 -2.388 -2.218 1.00 0.00 N ATOM 733 CZ ARG A 50 -14.428 -1.709 -3.152 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.870 -0.479 -2.908 1.00 0.00 N ATOM 735 NH2 ARG A 50 -14.655 -2.264 -4.338 1.00 0.00 N ATOM 0 H ARG A 50 -10.996 -5.772 0.697 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.704 -4.947 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.161 -3.716 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.116 -2.781 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.803 -3.781 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.087 -2.591 1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.335 -1.344 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.653 -1.142 -0.946 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.434 -3.327 -2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.699 -0.046 -2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.380 0.032 -3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.318 -3.207 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.166 -1.747 -5.054 1.00 0.00 H new ATOM 749 N LEU A 51 -9.410 -4.903 -1.804 1.00 0.00 N ATOM 750 CA LEU A 51 -8.321 -4.851 -2.779 1.00 0.00 C ATOM 751 C LEU A 51 -7.695 -6.233 -2.980 1.00 0.00 C ATOM 752 O LEU A 51 -7.989 -7.172 -2.236 1.00 0.00 O ATOM 753 CB LEU A 51 -7.251 -3.852 -2.326 1.00 0.00 C ATOM 754 CG LEU A 51 -6.591 -4.166 -0.980 1.00 0.00 C ATOM 755 CD1 LEU A 51 -5.266 -4.887 -1.184 1.00 0.00 C ATOM 756 CD2 LEU A 51 -6.389 -2.890 -0.177 1.00 0.00 C ATOM 0 H LEU A 51 -9.106 -5.062 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.737 -4.522 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.475 -3.804 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.703 -2.862 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.253 -4.826 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.815 -5.100 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.439 -5.822 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.594 -4.256 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.919 -3.131 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.749 -2.207 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.354 -2.417 0.003 1.00 0.00 H new ATOM 768 N ALA A 52 -6.828 -6.345 -3.988 1.00 0.00 N ATOM 769 CA ALA A 52 -6.153 -7.607 -4.291 1.00 0.00 C ATOM 770 C ALA A 52 -4.667 -7.384 -4.576 1.00 0.00 C ATOM 771 O ALA A 52 -4.189 -6.248 -4.574 1.00 0.00 O ATOM 772 CB ALA A 52 -6.823 -8.290 -5.474 1.00 0.00 C ATOM 0 H ALA A 52 -6.577 -5.576 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.234 -8.253 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.312 -9.228 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.867 -8.493 -5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.771 -7.639 -6.347 1.00 0.00 H new ATOM 778 N ALA A 53 -3.942 -8.479 -4.820 1.00 0.00 N ATOM 779 CA ALA A 53 -2.509 -8.406 -5.106 1.00 0.00 C ATOM 780 C ALA A 53 -2.244 -7.778 -6.473 1.00 0.00 C ATOM 781 O ALA A 53 -2.975 -8.024 -7.434 1.00 0.00 O ATOM 782 CB ALA A 53 -1.881 -9.792 -5.030 1.00 0.00 C ATOM 0 H ALA A 53 -4.324 -9.425 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.051 -7.768 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.815 -9.721 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.023 -10.201 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.356 -10.447 -5.761 1.00 0.00 H new ATOM 788 N GLY A 54 -1.190 -6.968 -6.550 1.00 0.00 N ATOM 789 CA GLY A 54 -0.840 -6.315 -7.801 1.00 0.00 C ATOM 790 C GLY A 54 -1.502 -4.958 -7.958 1.00 0.00 C ATOM 791 O GLY A 54 -2.012 -4.630 -9.030 1.00 0.00 O ATOM 0 H GLY A 54 -0.572 -6.752 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.242 -6.195 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.130 -6.955 -8.634 1.00 0.00 H new ATOM 795 N ASP A 55 -1.499 -4.170 -6.884 1.00 0.00 N ATOM 796 CA ASP A 55 -2.107 -2.842 -6.903 1.00 0.00 C ATOM 797 C ASP A 55 -1.127 -1.787 -6.393 1.00 0.00 C ATOM 798 O ASP A 55 -0.315 -2.059 -5.506 1.00 0.00 O ATOM 799 CB ASP A 55 -3.378 -2.837 -6.042 1.00 0.00 C ATOM 800 CG ASP A 55 -4.640 -3.133 -6.838 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.531 -3.672 -7.963 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.741 -2.823 -6.334 1.00 0.00 O ATOM 0 H ASP A 55 -1.082 -4.429 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.368 -2.598 -7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.275 -3.577 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.479 -1.865 -5.560 1.00 0.00 H new ATOM 807 N GLN A 56 -1.207 -0.581 -6.957 1.00 0.00 N ATOM 808 CA GLN A 56 -0.326 0.512 -6.550 1.00 0.00 C ATOM 809 C GLN A 56 -0.876 1.215 -5.309 1.00 0.00 C ATOM 810 O GLN A 56 -2.084 1.217 -5.074 1.00 0.00 O ATOM 811 CB GLN A 56 -0.155 1.518 -7.689 1.00 0.00 C ATOM 812 CG GLN A 56 1.035 2.450 -7.507 1.00 0.00 C ATOM 813 CD GLN A 56 0.636 3.836 -7.033 1.00 0.00 C ATOM 814 OE1 GLN A 56 -0.531 4.094 -6.737 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.610 4.735 -6.955 1.00 0.00 N ATOM 0 H GLN A 56 -1.870 -0.338 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 56 0.649 0.088 -6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.040 0.975 -8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.063 2.115 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.726 2.011 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.570 2.536 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.563 4.478 -7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.405 5.683 -6.640 1.00 0.00 H new ATOM 824 N LEU A 57 0.016 1.804 -4.515 1.00 0.00 N ATOM 825 CA LEU A 57 -0.391 2.500 -3.294 1.00 0.00 C ATOM 826 C LEU A 57 -0.104 3.999 -3.375 1.00 0.00 C ATOM 827 O LEU A 57 0.860 4.426 -4.013 1.00 0.00 O ATOM 828 CB LEU A 57 0.324 1.902 -2.080 1.00 0.00 C ATOM 829 CG LEU A 57 -0.373 0.699 -1.439 1.00 0.00 C ATOM 830 CD1 LEU A 57 -0.153 -0.559 -2.268 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.127 0.493 -0.017 1.00 0.00 C ATOM 0 H LEU A 57 1.020 1.814 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.467 2.368 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.328 1.602 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.437 2.680 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.443 0.902 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.657 -1.401 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.559 -0.411 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.915 -0.768 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.378 -0.366 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.202 0.314 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.085 1.383 0.576 1.00 0.00 H new ATOM 843 N LEU A 58 -0.946 4.791 -2.710 1.00 0.00 N ATOM 844 CA LEU A 58 -0.787 6.243 -2.690 1.00 0.00 C ATOM 845 C LEU A 58 -0.616 6.751 -1.256 1.00 0.00 C ATOM 846 O LEU A 58 0.361 7.438 -0.947 1.00 0.00 O ATOM 847 CB LEU A 58 -1.994 6.928 -3.346 1.00 0.00 C ATOM 848 CG LEU A 58 -1.692 7.724 -4.624 1.00 0.00 C ATOM 849 CD1 LEU A 58 -0.869 8.966 -4.310 1.00 0.00 C ATOM 850 CD2 LEU A 58 -0.974 6.852 -5.644 1.00 0.00 C ATOM 0 H LEU A 58 -1.746 4.449 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 58 0.110 6.490 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.738 6.167 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.446 7.602 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.641 8.045 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.669 9.512 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.423 9.605 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.074 8.671 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.770 7.435 -6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.035 6.496 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.603 5.999 -5.901 1.00 0.00 H new ATOM 862 N SER A 59 -1.573 6.414 -0.386 1.00 0.00 N ATOM 863 CA SER A 59 -1.528 6.847 1.011 1.00 0.00 C ATOM 864 C SER A 59 -1.925 5.720 1.968 1.00 0.00 C ATOM 865 O SER A 59 -2.696 4.826 1.609 1.00 0.00 O ATOM 866 CB SER A 59 -2.450 8.052 1.216 1.00 0.00 C ATOM 867 OG SER A 59 -3.783 7.752 0.837 1.00 0.00 O ATOM 0 H SER A 59 -2.385 5.845 -0.625 1.00 0.00 H new ATOM 0 HA SER A 59 -0.500 7.129 1.237 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.427 8.356 2.262 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.085 8.896 0.631 1.00 0.00 H new ATOM 0 HG SER A 59 -4.349 8.539 0.980 1.00 0.00 H new ATOM 873 N VAL A 60 -1.394 5.779 3.194 1.00 0.00 N ATOM 874 CA VAL A 60 -1.688 4.777 4.217 1.00 0.00 C ATOM 875 C VAL A 60 -1.779 5.419 5.601 1.00 0.00 C ATOM 876 O VAL A 60 -0.766 5.823 6.175 1.00 0.00 O ATOM 877 CB VAL A 60 -0.622 3.662 4.249 1.00 0.00 C ATOM 878 CG1 VAL A 60 -1.021 2.564 5.228 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.403 3.094 2.854 1.00 0.00 C ATOM 0 H VAL A 60 -0.756 6.514 3.500 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.649 4.335 3.955 1.00 0.00 H new ATOM 0 HB VAL A 60 0.318 4.093 4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.256 1.788 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.119 2.986 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.974 2.132 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.352 2.309 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.338 2.679 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.065 3.887 2.187 1.00 0.00 H new ATOM 889 N ASP A 61 -3.002 5.515 6.125 1.00 0.00 N ATOM 890 CA ASP A 61 -3.244 6.113 7.440 1.00 0.00 C ATOM 891 C ASP A 61 -2.799 7.578 7.462 1.00 0.00 C ATOM 892 O ASP A 61 -2.200 8.048 8.431 1.00 0.00 O ATOM 893 CB ASP A 61 -2.528 5.309 8.538 1.00 0.00 C ATOM 894 CG ASP A 61 -3.038 5.621 9.938 1.00 0.00 C ATOM 895 OD1 ASP A 61 -4.164 6.152 10.065 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.310 5.329 10.912 1.00 0.00 O ATOM 0 H ASP A 61 -3.845 5.184 5.656 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.316 6.083 7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.655 4.244 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.459 5.517 8.493 1.00 0.00 H new ATOM 901 N GLY A 62 -3.104 8.296 6.379 1.00 0.00 N ATOM 902 CA GLY A 62 -2.739 9.699 6.281 1.00 0.00 C ATOM 903 C GLY A 62 -1.263 9.911 5.984 1.00 0.00 C ATOM 904 O GLY A 62 -0.654 10.850 6.498 1.00 0.00 O ATOM 0 H GLY A 62 -3.599 7.927 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.333 10.169 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.991 10.200 7.215 1.00 0.00 H new ATOM 908 N ARG A 63 -0.689 9.047 5.147 1.00 0.00 N ATOM 909 CA ARG A 63 0.722 9.156 4.777 1.00 0.00 C ATOM 910 C ARG A 63 0.873 9.305 3.267 1.00 0.00 C ATOM 911 O ARG A 63 -0.049 8.994 2.511 1.00 0.00 O ATOM 912 CB ARG A 63 1.506 7.932 5.256 1.00 0.00 C ATOM 913 CG ARG A 63 2.172 8.129 6.607 1.00 0.00 C ATOM 914 CD ARG A 63 1.301 7.606 7.740 1.00 0.00 C ATOM 915 NE ARG A 63 1.210 8.554 8.851 1.00 0.00 N ATOM 916 CZ ARG A 63 0.817 8.227 10.085 1.00 0.00 C ATOM 917 NH1 ARG A 63 0.470 6.975 10.372 1.00 0.00 N ATOM 918 NH2 ARG A 63 0.768 9.153 11.034 1.00 0.00 N ATOM 0 H ARG A 63 -1.179 8.265 4.713 1.00 0.00 H new ATOM 0 HA ARG A 63 1.126 10.044 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.831 7.078 5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.268 7.687 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.133 7.615 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.375 9.188 6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.301 7.397 7.360 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.708 6.662 8.103 1.00 0.00 H new ATOM 0 HE ARG A 63 1.463 9.526 8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.503 6.258 9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.171 6.732 11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.031 10.115 10.821 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.468 8.902 11.976 1.00 0.00 H new ATOM 932 N SER A 64 2.040 9.778 2.834 1.00 0.00 N ATOM 933 CA SER A 64 2.313 9.964 1.410 1.00 0.00 C ATOM 934 C SER A 64 3.399 8.999 0.941 1.00 0.00 C ATOM 935 O SER A 64 4.577 9.358 0.871 1.00 0.00 O ATOM 936 CB SER A 64 2.734 11.412 1.125 1.00 0.00 C ATOM 937 OG SER A 64 2.118 12.318 2.026 1.00 0.00 O ATOM 0 H SER A 64 2.811 10.039 3.448 1.00 0.00 H new ATOM 0 HA SER A 64 1.397 9.753 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.818 11.499 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.466 11.676 0.102 1.00 0.00 H new ATOM 0 HG SER A 64 2.407 13.231 1.820 1.00 0.00 H new ATOM 943 N LEU A 65 2.995 7.769 0.617 1.00 0.00 N ATOM 944 CA LEU A 65 3.936 6.750 0.151 1.00 0.00 C ATOM 945 C LEU A 65 4.635 7.187 -1.140 1.00 0.00 C ATOM 946 O LEU A 65 5.718 6.696 -1.459 1.00 0.00 O ATOM 947 CB LEU A 65 3.223 5.413 -0.078 1.00 0.00 C ATOM 948 CG LEU A 65 2.460 4.854 1.126 1.00 0.00 C ATOM 949 CD1 LEU A 65 1.959 3.450 0.823 1.00 0.00 C ATOM 950 CD2 LEU A 65 3.335 4.854 2.374 1.00 0.00 C ATOM 0 H LEU A 65 2.026 7.456 0.669 1.00 0.00 H new ATOM 0 HA LEU A 65 4.689 6.624 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.523 5.532 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.963 4.676 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 65 1.602 5.498 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.418 3.063 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.293 3.480 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.807 2.800 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.770 4.452 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.216 4.236 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.646 5.874 2.600 1.00 0.00 H new ATOM 962 N VAL A 66 4.009 8.108 -1.878 1.00 0.00 N ATOM 963 CA VAL A 66 4.576 8.600 -3.125 1.00 0.00 C ATOM 964 C VAL A 66 5.681 9.620 -2.862 1.00 0.00 C ATOM 965 O VAL A 66 5.417 10.802 -2.631 1.00 0.00 O ATOM 966 CB VAL A 66 3.491 9.216 -4.030 1.00 0.00 C ATOM 967 CG1 VAL A 66 4.113 9.918 -5.229 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.522 8.136 -4.479 1.00 0.00 C ATOM 0 H VAL A 66 3.111 8.524 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 66 5.009 7.744 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 66 2.944 9.965 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.325 10.343 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.772 10.714 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.688 9.200 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.757 8.577 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.063 7.370 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.050 7.685 -3.606 1.00 0.00 H new ATOM 978 N GLY A 67 6.920 9.142 -2.905 1.00 0.00 N ATOM 979 CA GLY A 67 8.071 10.004 -2.677 1.00 0.00 C ATOM 980 C GLY A 67 8.930 9.562 -1.502 1.00 0.00 C ATOM 981 O GLY A 67 9.524 10.396 -0.816 1.00 0.00 O ATOM 0 H GLY A 67 7.151 8.167 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.684 10.026 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.724 11.023 -2.502 1.00 0.00 H new ATOM 985 N LEU A 68 9.005 8.251 -1.276 1.00 0.00 N ATOM 986 CA LEU A 68 9.806 7.698 -0.189 1.00 0.00 C ATOM 987 C LEU A 68 10.318 6.307 -0.554 1.00 0.00 C ATOM 988 O LEU A 68 9.840 5.688 -1.507 1.00 0.00 O ATOM 989 CB LEU A 68 8.998 7.644 1.116 1.00 0.00 C ATOM 990 CG LEU A 68 7.541 7.194 0.980 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.463 5.716 0.634 1.00 0.00 C ATOM 992 CD2 LEU A 68 6.774 7.480 2.263 1.00 0.00 C ATOM 0 H LEU A 68 8.518 7.551 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 68 10.662 8.355 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.504 6.969 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.012 8.635 1.571 1.00 0.00 H new ATOM 0 HG LEU A 68 7.084 7.760 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.418 5.418 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.976 5.536 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.939 5.132 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.740 7.154 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.235 6.941 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.796 8.550 2.469 1.00 0.00 H new ATOM 1004 N SER A 69 11.295 5.823 0.208 1.00 0.00 N ATOM 1005 CA SER A 69 11.877 4.508 -0.038 1.00 0.00 C ATOM 1006 C SER A 69 10.985 3.403 0.522 1.00 0.00 C ATOM 1007 O SER A 69 10.125 3.655 1.369 1.00 0.00 O ATOM 1008 CB SER A 69 13.271 4.422 0.589 1.00 0.00 C ATOM 1009 OG SER A 69 13.197 4.417 2.006 1.00 0.00 O ATOM 0 H SER A 69 11.700 6.322 1.000 1.00 0.00 H new ATOM 0 HA SER A 69 11.960 4.370 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.772 3.517 0.245 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.875 5.266 0.257 1.00 0.00 H new ATOM 0 HG SER A 69 14.101 4.360 2.381 1.00 0.00 H new ATOM 1015 N GLN A 70 11.200 2.179 0.047 1.00 0.00 N ATOM 1016 CA GLN A 70 10.423 1.028 0.502 1.00 0.00 C ATOM 1017 C GLN A 70 10.513 0.861 2.020 1.00 0.00 C ATOM 1018 O GLN A 70 9.563 0.406 2.657 1.00 0.00 O ATOM 1019 CB GLN A 70 10.912 -0.247 -0.184 1.00 0.00 C ATOM 1020 CG GLN A 70 10.212 -1.505 0.306 1.00 0.00 C ATOM 1021 CD GLN A 70 9.750 -2.398 -0.822 1.00 0.00 C ATOM 1022 OE1 GLN A 70 9.355 -1.923 -1.880 1.00 0.00 O ATOM 1023 NE2 GLN A 70 9.794 -3.702 -0.598 1.00 0.00 N ATOM 0 H GLN A 70 11.907 1.958 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 70 9.381 1.206 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.762 -0.152 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.985 -0.350 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.890 -2.064 0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.353 -1.223 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.130 -4.054 0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.492 -4.354 -1.322 1.00 0.00 H new ATOM 1032 N GLU A 71 11.660 1.233 2.590 1.00 0.00 N ATOM 1033 CA GLU A 71 11.873 1.127 4.028 1.00 0.00 C ATOM 1034 C GLU A 71 11.090 2.209 4.765 1.00 0.00 C ATOM 1035 O GLU A 71 10.591 1.986 5.867 1.00 0.00 O ATOM 1036 CB GLU A 71 13.365 1.244 4.353 1.00 0.00 C ATOM 1037 CG GLU A 71 14.218 0.160 3.707 1.00 0.00 C ATOM 1038 CD GLU A 71 15.650 0.163 4.206 1.00 0.00 C ATOM 1039 OE1 GLU A 71 16.471 0.920 3.647 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.950 -0.591 5.155 1.00 0.00 O ATOM 0 H GLU A 71 12.455 1.610 2.074 1.00 0.00 H new ATOM 0 HA GLU A 71 11.515 0.152 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.724 2.220 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.497 1.202 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.771 -0.814 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.215 0.298 2.626 1.00 0.00 H new ATOM 1047 N ARG A 72 10.978 3.378 4.140 1.00 0.00 N ATOM 1048 CA ARG A 72 10.249 4.496 4.722 1.00 0.00 C ATOM 1049 C ARG A 72 8.734 4.287 4.600 1.00 0.00 C ATOM 1050 O ARG A 72 7.972 4.703 5.475 1.00 0.00 O ATOM 1051 CB ARG A 72 10.670 5.802 4.037 1.00 0.00 C ATOM 1052 CG ARG A 72 9.888 7.017 4.495 1.00 0.00 C ATOM 1053 CD ARG A 72 10.246 7.409 5.922 1.00 0.00 C ATOM 1054 NE ARG A 72 10.008 8.831 6.181 1.00 0.00 N ATOM 1055 CZ ARG A 72 10.097 9.397 7.388 1.00 0.00 C ATOM 1056 NH1 ARG A 72 10.413 8.670 8.456 1.00 0.00 N ATOM 1057 NH2 ARG A 72 9.866 10.699 7.529 1.00 0.00 N ATOM 0 H ARG A 72 11.386 3.574 3.226 1.00 0.00 H new ATOM 0 HA ARG A 72 10.492 4.556 5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.730 5.973 4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.550 5.690 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.090 7.854 3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.820 6.808 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.659 6.811 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.295 7.178 6.108 1.00 0.00 H new ATOM 0 HE ARG A 72 9.759 9.426 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.590 7.670 8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.478 9.112 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.621 11.264 6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.934 11.132 8.450 1.00 0.00 H new ATOM 1071 N ALA A 73 8.304 3.636 3.515 1.00 0.00 N ATOM 1072 CA ALA A 73 6.883 3.370 3.286 1.00 0.00 C ATOM 1073 C ALA A 73 6.384 2.224 4.163 1.00 0.00 C ATOM 1074 O ALA A 73 5.457 2.399 4.956 1.00 0.00 O ATOM 1075 CB ALA A 73 6.627 3.058 1.817 1.00 0.00 C ATOM 0 H ALA A 73 8.920 3.284 2.782 1.00 0.00 H new ATOM 0 HA ALA A 73 6.330 4.269 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.565 2.863 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.930 3.908 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.202 2.179 1.526 1.00 0.00 H new ATOM 1081 N ALA A 74 7.002 1.049 4.015 1.00 0.00 N ATOM 1082 CA ALA A 74 6.616 -0.127 4.795 1.00 0.00 C ATOM 1083 C ALA A 74 6.692 0.146 6.296 1.00 0.00 C ATOM 1084 O ALA A 74 5.797 -0.244 7.048 1.00 0.00 O ATOM 1085 CB ALA A 74 7.491 -1.318 4.434 1.00 0.00 C ATOM 0 H ALA A 74 7.770 0.888 3.363 1.00 0.00 H new ATOM 0 HA ALA A 74 5.580 -0.360 4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.189 -2.183 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.378 -1.544 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.534 -1.081 4.645 1.00 0.00 H new ATOM 1091 N GLU A 75 7.760 0.821 6.728 1.00 0.00 N ATOM 1092 CA GLU A 75 7.939 1.145 8.141 1.00 0.00 C ATOM 1093 C GLU A 75 6.807 2.040 8.640 1.00 0.00 C ATOM 1094 O GLU A 75 6.314 1.867 9.754 1.00 0.00 O ATOM 1095 CB GLU A 75 9.288 1.830 8.366 1.00 0.00 C ATOM 1096 CG GLU A 75 9.637 2.020 9.833 1.00 0.00 C ATOM 1097 CD GLU A 75 10.818 1.174 10.268 1.00 0.00 C ATOM 1098 OE1 GLU A 75 10.650 -0.057 10.401 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.910 1.742 10.476 1.00 0.00 O ATOM 0 H GLU A 75 8.510 1.152 6.121 1.00 0.00 H new ATOM 0 HA GLU A 75 7.918 0.214 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.070 1.239 7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.278 2.803 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.861 3.071 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.770 1.768 10.444 1.00 0.00 H new ATOM 1106 N LEU A 76 6.395 2.993 7.805 1.00 0.00 N ATOM 1107 CA LEU A 76 5.315 3.910 8.160 1.00 0.00 C ATOM 1108 C LEU A 76 3.961 3.196 8.172 1.00 0.00 C ATOM 1109 O LEU A 76 3.074 3.554 8.947 1.00 0.00 O ATOM 1110 CB LEU A 76 5.271 5.085 7.179 1.00 0.00 C ATOM 1111 CG LEU A 76 6.051 6.330 7.612 1.00 0.00 C ATOM 1112 CD1 LEU A 76 6.204 7.297 6.445 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.358 7.008 8.786 1.00 0.00 C ATOM 0 H LEU A 76 6.793 3.149 6.879 1.00 0.00 H new ATOM 0 HA LEU A 76 5.514 4.285 9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.660 4.749 6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.230 5.366 7.021 1.00 0.00 H new ATOM 0 HG LEU A 76 7.046 6.022 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.761 8.176 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.743 6.806 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.218 7.602 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.924 7.891 9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.351 7.304 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.302 6.315 9.625 1.00 0.00 H new ATOM 1125 N MET A 77 3.803 2.196 7.303 1.00 0.00 N ATOM 1126 CA MET A 77 2.550 1.446 7.212 1.00 0.00 C ATOM 1127 C MET A 77 2.356 0.527 8.416 1.00 0.00 C ATOM 1128 O MET A 77 1.322 0.584 9.080 1.00 0.00 O ATOM 1129 CB MET A 77 2.509 0.629 5.918 1.00 0.00 C ATOM 1130 CG MET A 77 2.347 1.475 4.666 1.00 0.00 C ATOM 1131 SD MET A 77 3.204 0.776 3.241 1.00 0.00 S ATOM 1132 CE MET A 77 2.280 -0.739 3.000 1.00 0.00 C ATOM 0 H MET A 77 4.526 1.887 6.653 1.00 0.00 H new ATOM 0 HA MET A 77 1.734 2.169 7.206 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.427 0.048 5.837 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.685 -0.083 5.974 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.287 1.575 4.434 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.728 2.478 4.858 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.971 -1.578 2.919 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.614 -0.898 3.848 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.691 -0.665 2.086 1.00 0.00 H new ATOM 1142 N THR A 78 3.345 -0.318 8.699 1.00 0.00 N ATOM 1143 CA THR A 78 3.257 -1.236 9.835 1.00 0.00 C ATOM 1144 C THR A 78 3.115 -0.464 11.147 1.00 0.00 C ATOM 1145 O THR A 78 2.370 -0.871 12.040 1.00 0.00 O ATOM 1146 CB THR A 78 4.483 -2.160 9.890 1.00 0.00 C ATOM 1147 OG1 THR A 78 4.517 -2.887 11.108 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.808 -1.434 9.754 1.00 0.00 C ATOM 0 H THR A 78 4.210 -0.387 8.163 1.00 0.00 H new ATOM 0 HA THR A 78 2.368 -1.852 9.699 1.00 0.00 H new ATOM 0 HB THR A 78 4.367 -2.824 9.033 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.305 -3.469 11.119 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.624 -2.155 9.803 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.841 -0.913 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.912 -0.712 10.564 1.00 0.00 H new ATOM 1156 N ARG A 79 3.831 0.654 11.252 1.00 0.00 N ATOM 1157 CA ARG A 79 3.788 1.486 12.452 1.00 0.00 C ATOM 1158 C ARG A 79 2.656 2.519 12.384 1.00 0.00 C ATOM 1159 O ARG A 79 2.892 3.722 12.522 1.00 0.00 O ATOM 1160 CB ARG A 79 5.133 2.193 12.651 1.00 0.00 C ATOM 1161 CG ARG A 79 6.261 1.259 13.069 1.00 0.00 C ATOM 1162 CD ARG A 79 7.478 2.030 13.562 1.00 0.00 C ATOM 1163 NE ARG A 79 7.111 3.127 14.462 1.00 0.00 N ATOM 1164 CZ ARG A 79 6.693 2.956 15.720 1.00 0.00 C ATOM 1165 NH1 ARG A 79 6.590 1.734 16.240 1.00 0.00 N ATOM 1166 NH2 ARG A 79 6.375 4.013 16.462 1.00 0.00 N ATOM 0 H ARG A 79 4.448 1.004 10.520 1.00 0.00 H new ATOM 0 HA ARG A 79 3.593 0.833 13.302 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.412 2.692 11.723 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.017 2.969 13.408 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.909 0.593 13.857 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.546 0.631 12.224 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.153 1.348 14.079 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.023 2.430 12.707 1.00 0.00 H new ATOM 0 HE ARG A 79 7.179 4.080 14.106 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.831 0.918 15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.270 1.614 17.201 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.450 4.952 16.071 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.056 3.885 17.422 1.00 0.00 H new ATOM 1180 N THR A 80 1.426 2.043 12.181 1.00 0.00 N ATOM 1181 CA THR A 80 0.256 2.924 12.107 1.00 0.00 C ATOM 1182 C THR A 80 -0.596 2.808 13.374 1.00 0.00 C ATOM 1183 O THR A 80 -0.286 2.022 14.271 1.00 0.00 O ATOM 1184 CB THR A 80 -0.595 2.583 10.879 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.696 1.180 10.702 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.053 3.172 9.595 1.00 0.00 C ATOM 0 H THR A 80 1.213 1.052 12.065 1.00 0.00 H new ATOM 0 HA THR A 80 0.614 3.950 12.020 1.00 0.00 H new ATOM 0 HB THR A 80 -1.573 3.022 11.079 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.186 0.913 9.909 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.702 2.893 8.765 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.018 4.258 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.952 2.790 9.415 1.00 0.00 H new ATOM 1194 N SER A 81 -1.677 3.589 13.437 1.00 0.00 N ATOM 1195 CA SER A 81 -2.579 3.566 14.589 1.00 0.00 C ATOM 1196 C SER A 81 -3.661 2.501 14.407 1.00 0.00 C ATOM 1197 O SER A 81 -3.587 1.683 13.487 1.00 0.00 O ATOM 1198 CB SER A 81 -3.220 4.945 14.786 1.00 0.00 C ATOM 1199 OG SER A 81 -4.202 5.204 13.795 1.00 0.00 O ATOM 0 H SER A 81 -1.948 4.244 12.704 1.00 0.00 H new ATOM 0 HA SER A 81 -1.998 3.317 15.477 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.675 4.999 15.775 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.450 5.715 14.748 1.00 0.00 H new ATOM 0 HG SER A 81 -4.594 6.089 13.947 1.00 0.00 H new ATOM 1205 N SER A 82 -4.669 2.518 15.281 1.00 0.00 N ATOM 1206 CA SER A 82 -5.768 1.557 15.203 1.00 0.00 C ATOM 1207 C SER A 82 -6.451 1.629 13.836 1.00 0.00 C ATOM 1208 O SER A 82 -6.570 0.621 13.140 1.00 0.00 O ATOM 1209 CB SER A 82 -6.793 1.814 16.313 1.00 0.00 C ATOM 1210 OG SER A 82 -6.182 2.379 17.463 1.00 0.00 O ATOM 0 H SER A 82 -4.746 3.185 16.049 1.00 0.00 H new ATOM 0 HA SER A 82 -5.352 0.558 15.336 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.569 2.485 15.945 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.282 0.878 16.582 1.00 0.00 H new ATOM 0 HG SER A 82 -6.205 3.357 17.399 1.00 0.00 H new ATOM 1216 N VAL A 83 -6.892 2.832 13.460 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.557 3.042 12.175 1.00 0.00 C ATOM 1218 C VAL A 83 -6.537 3.261 11.059 1.00 0.00 C ATOM 1219 O VAL A 83 -5.533 3.949 11.248 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.519 4.247 12.223 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.303 4.362 10.923 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.464 4.134 13.413 1.00 0.00 C ATOM 0 H VAL A 83 -6.800 3.674 14.028 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.133 2.140 11.968 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.925 5.153 12.344 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.975 5.218 10.978 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.611 4.497 10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.885 3.453 10.767 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.134 4.994 13.428 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.050 3.219 13.327 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.885 4.109 14.336 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.803 2.666 9.898 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.910 2.790 8.751 1.00 0.00 C ATOM 1234 C VAL A 84 -6.671 3.201 7.492 1.00 0.00 C ATOM 1235 O VAL A 84 -7.855 2.899 7.345 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.161 1.471 8.479 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.065 1.681 7.445 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.585 0.905 9.769 1.00 0.00 C ATOM 0 H VAL A 84 -7.630 2.094 9.728 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.188 3.568 8.999 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.873 0.749 8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.548 0.738 7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.507 2.035 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.354 2.421 7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.060 -0.026 9.555 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.889 1.623 10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.393 0.712 10.475 1.00 0.00 H new ATOM 1248 N THR A 85 -5.974 3.891 6.590 1.00 0.00 N ATOM 1249 CA THR A 85 -6.569 4.352 5.338 1.00 0.00 C ATOM 1250 C THR A 85 -5.632 4.080 4.159 1.00 0.00 C ATOM 1251 O THR A 85 -4.880 4.960 3.733 1.00 0.00 O ATOM 1252 CB THR A 85 -6.895 5.851 5.422 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.054 6.264 6.770 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.156 6.230 4.678 1.00 0.00 C ATOM 0 H THR A 85 -4.992 4.143 6.705 1.00 0.00 H new ATOM 0 HA THR A 85 -7.494 3.799 5.176 1.00 0.00 H new ATOM 0 HB THR A 85 -6.047 6.353 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.259 7.222 6.797 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.329 7.302 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.047 5.976 3.624 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.003 5.686 5.096 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.680 2.853 3.639 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.837 2.457 2.511 1.00 0.00 C ATOM 1264 C LEU A 86 -5.532 2.739 1.179 1.00 0.00 C ATOM 1265 O LEU A 86 -6.628 2.235 0.922 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.491 0.966 2.604 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.170 0.644 3.310 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.406 -0.292 4.487 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.177 0.033 2.330 1.00 0.00 C ATOM 0 H LEU A 86 -6.295 2.115 3.982 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.921 3.045 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.298 0.454 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.455 0.555 1.595 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.749 1.574 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.456 -0.509 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.080 0.183 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.851 -1.221 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.244 -0.189 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.592 -0.887 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.983 0.738 1.521 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.885 3.543 0.334 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.434 3.891 -0.975 1.00 0.00 C ATOM 1283 C GLU A 87 -4.722 3.117 -2.081 1.00 0.00 C ATOM 1284 O GLU A 87 -3.643 3.508 -2.532 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.308 5.397 -1.223 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.037 5.880 -2.469 1.00 0.00 C ATOM 1287 CD GLU A 87 -5.882 7.373 -2.691 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -6.670 8.146 -2.107 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -4.970 7.769 -3.447 1.00 0.00 O ATOM 0 H GLU A 87 -3.979 3.966 0.534 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.490 3.619 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.697 5.932 -0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.252 5.654 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.656 5.345 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.096 5.637 -2.384 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.331 2.015 -2.512 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.753 1.186 -3.566 1.00 0.00 C ATOM 1298 C VAL A 88 -5.282 1.587 -4.941 1.00 0.00 C ATOM 1299 O VAL A 88 -6.175 2.429 -5.055 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.031 -0.314 -3.338 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -4.221 -0.836 -2.162 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -6.517 -0.566 -3.133 1.00 0.00 C ATOM 0 H VAL A 88 -6.222 1.676 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.676 1.352 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.721 -0.858 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.431 -1.896 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.158 -0.701 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.492 -0.286 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.687 -1.631 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.864 -0.010 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.067 -0.238 -4.015 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.723 0.975 -5.983 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.131 1.263 -7.352 1.00 0.00 C ATOM 1314 C ALA A 89 -5.500 -0.018 -8.094 1.00 0.00 C ATOM 1315 O ALA A 89 -4.621 -0.761 -8.534 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.022 2.003 -8.090 1.00 0.00 C ATOM 0 H ALA A 89 -3.985 0.276 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.015 1.900 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.341 2.211 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.807 2.941 -7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.123 1.386 -8.109 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.804 -0.265 -8.229 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.300 -1.452 -8.922 1.00 0.00 C ATOM 1324 C LYS A 90 -6.738 -1.525 -10.340 1.00 0.00 C ATOM 1325 O LYS A 90 -7.181 -0.799 -11.233 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.832 -1.440 -8.966 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.466 -2.742 -8.504 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.534 -2.822 -6.987 1.00 0.00 C ATOM 1329 CE LYS A 90 -10.733 -3.635 -6.525 1.00 0.00 C ATOM 1330 NZ LYS A 90 -11.468 -2.962 -5.418 1.00 0.00 N ATOM 0 H LYS A 90 -7.537 0.344 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.967 -2.332 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.198 -0.626 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.156 -1.230 -9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.470 -2.826 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.891 -3.584 -8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.618 -3.272 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.593 -1.816 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.409 -3.794 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.399 -4.618 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.475 -3.218 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.074 -3.266 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.369 -1.931 -5.512 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.755 -2.402 -10.532 1.00 0.00 N ATOM 1345 CA GLN A 91 -5.115 -2.575 -11.831 1.00 0.00 C ATOM 1346 C GLN A 91 -5.286 -4.010 -12.337 1.00 0.00 C ATOM 1347 O GLN A 91 -6.079 -4.779 -11.790 1.00 0.00 O ATOM 1348 CB GLN A 91 -3.628 -2.229 -11.723 1.00 0.00 C ATOM 1349 CG GLN A 91 -3.193 -1.092 -12.635 1.00 0.00 C ATOM 1350 CD GLN A 91 -1.872 -0.473 -12.213 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -1.715 0.748 -12.229 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -0.911 -1.311 -11.834 1.00 0.00 N ATOM 0 H GLN A 91 -5.384 -3.006 -9.799 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.592 -1.904 -12.545 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.401 -1.961 -10.691 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.040 -3.116 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.105 -1.464 -13.656 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.964 -0.322 -12.642 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.082 -2.317 -11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.004 -0.948 -11.542 1.00 0.00 H new ATOM 1361 N GLY A 92 -4.534 -4.364 -13.380 1.00 0.00 N ATOM 1362 CA GLY A 92 -4.610 -5.701 -13.934 1.00 0.00 C ATOM 1363 C GLY A 92 -3.723 -5.876 -15.147 1.00 0.00 C ATOM 1364 O GLY A 92 -3.693 -5.023 -16.038 1.00 0.00 O ATOM 0 H GLY A 92 -3.873 -3.744 -13.849 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.323 -6.424 -13.171 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.642 -5.919 -14.208 1.00 0.00 H new ATOM 1368 N ALA A 93 -3.001 -6.986 -15.171 1.00 0.00 N ATOM 1369 CA ALA A 93 -2.097 -7.301 -16.273 1.00 0.00 C ATOM 1370 C ALA A 93 -2.811 -8.113 -17.351 1.00 0.00 C ATOM 1371 O ALA A 93 -3.251 -9.244 -17.048 1.00 0.00 O ATOM 1372 CB ALA A 93 -0.878 -8.055 -15.760 1.00 0.00 C ATOM 1373 OXT ALA A 93 -2.928 -7.610 -18.487 1.00 0.00 O ATOM 0 H ALA A 93 -3.023 -7.691 -14.434 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.766 -6.363 -16.719 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.214 -8.283 -16.594 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.349 -7.440 -15.032 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.197 -8.983 -15.286 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 13.291 -0.642 -3.912 1.00 0.00 N ATOM 1381 CA LEU B 99 13.392 -1.515 -5.115 1.00 0.00 C ATOM 1382 C LEU B 99 13.511 -2.994 -4.722 1.00 0.00 C ATOM 1383 O LEU B 99 14.262 -3.749 -5.340 1.00 0.00 O ATOM 1384 CB LEU B 99 14.616 -1.072 -5.928 1.00 0.00 C ATOM 1385 CG LEU B 99 14.589 -1.445 -7.413 1.00 0.00 C ATOM 1386 CD1 LEU B 99 13.688 -0.497 -8.192 1.00 0.00 C ATOM 1387 CD2 LEU B 99 15.999 -1.434 -7.987 1.00 0.00 C ATOM 0 HA LEU B 99 12.487 -1.415 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU B 99 14.714 0.010 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU B 99 15.507 -1.508 -5.477 1.00 0.00 H new ATOM 0 HG LEU B 99 14.183 -2.452 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU B 99 13.684 -0.781 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU B 99 12.673 -0.553 -7.797 1.00 0.00 H new ATOM 0 HD13 LEU B 99 14.060 0.523 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU B 99 15.964 -1.701 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.428 -0.438 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.616 -2.155 -7.451 1.00 0.00 H new ATOM 1401 N PHE B 100 12.763 -3.398 -3.691 1.00 0.00 N ATOM 1402 CA PHE B 100 12.783 -4.781 -3.213 1.00 0.00 C ATOM 1403 C PHE B 100 11.388 -5.215 -2.755 1.00 0.00 C ATOM 1404 O PHE B 100 10.402 -4.528 -3.027 1.00 0.00 O ATOM 1405 CB PHE B 100 13.795 -4.924 -2.067 1.00 0.00 C ATOM 1406 CG PHE B 100 15.124 -5.481 -2.500 1.00 0.00 C ATOM 1407 CD1 PHE B 100 16.051 -4.678 -3.146 1.00 0.00 C ATOM 1408 CD2 PHE B 100 15.447 -6.808 -2.259 1.00 0.00 C ATOM 1409 CE1 PHE B 100 17.273 -5.185 -3.543 1.00 0.00 C ATOM 1410 CE2 PHE B 100 16.669 -7.321 -2.653 1.00 0.00 C ATOM 1411 CZ PHE B 100 17.583 -6.509 -3.296 1.00 0.00 C ATOM 0 H PHE B 100 12.135 -2.784 -3.171 1.00 0.00 H new ATOM 0 HA PHE B 100 13.087 -5.430 -4.034 1.00 0.00 H new ATOM 0 HB2 PHE B 100 13.952 -3.948 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE B 100 13.372 -5.572 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE B 100 15.815 -3.642 -3.341 1.00 0.00 H new ATOM 0 HD2 PHE B 100 14.736 -7.448 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE B 100 17.985 -4.548 -4.046 1.00 0.00 H new ATOM 0 HE2 PHE B 100 16.909 -8.356 -2.458 1.00 0.00 H new ATOM 0 HZ PHE B 100 18.538 -6.908 -3.605 1.00 0.00 H new ATOM 1421 N SER B 101 11.307 -6.355 -2.063 1.00 0.00 N ATOM 1422 CA SER B 101 10.027 -6.869 -1.578 1.00 0.00 C ATOM 1423 C SER B 101 9.960 -6.840 -0.049 1.00 0.00 C ATOM 1424 O SER B 101 10.875 -7.308 0.631 1.00 0.00 O ATOM 1425 CB SER B 101 9.802 -8.296 -2.094 1.00 0.00 C ATOM 1426 OG SER B 101 10.859 -9.158 -1.707 1.00 0.00 O ATOM 0 H SER B 101 12.111 -6.937 -1.828 1.00 0.00 H new ATOM 0 HA SER B 101 9.236 -6.223 -1.960 1.00 0.00 H new ATOM 0 HB2 SER B 101 8.858 -8.680 -1.708 1.00 0.00 H new ATOM 0 HB3 SER B 101 9.720 -8.283 -3.181 1.00 0.00 H new ATOM 0 HG SER B 101 10.687 -10.060 -2.049 1.00 0.00 H new ATOM 1432 N THR B 102 8.868 -6.284 0.480 1.00 0.00 N ATOM 1433 CA THR B 102 8.668 -6.183 1.926 1.00 0.00 C ATOM 1434 C THR B 102 7.347 -6.835 2.333 1.00 0.00 C ATOM 1435 O THR B 102 6.452 -7.009 1.505 1.00 0.00 O ATOM 1436 CB THR B 102 8.689 -4.711 2.354 1.00 0.00 C ATOM 1437 OG1 THR B 102 9.966 -4.141 2.121 1.00 0.00 O ATOM 1438 CG2 THR B 102 8.351 -4.492 3.815 1.00 0.00 C ATOM 0 H THR B 102 8.106 -5.895 -0.075 1.00 0.00 H new ATOM 0 HA THR B 102 9.479 -6.710 2.429 1.00 0.00 H new ATOM 0 HB THR B 102 7.919 -4.231 1.750 1.00 0.00 H new ATOM 0 HG1 THR B 102 10.011 -3.257 2.541 1.00 0.00 H new ATOM 0 HG21 THR B 102 8.387 -3.426 4.041 1.00 0.00 H new ATOM 0 HG22 THR B 102 7.350 -4.873 4.018 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.073 -5.019 4.438 1.00 0.00 H new ATOM 1446 N GLU B 103 7.232 -7.192 3.611 1.00 0.00 N ATOM 1447 CA GLU B 103 6.022 -7.823 4.126 1.00 0.00 C ATOM 1448 C GLU B 103 5.474 -7.032 5.314 1.00 0.00 C ATOM 1449 O GLU B 103 5.690 -7.395 6.473 1.00 0.00 O ATOM 1450 CB GLU B 103 6.308 -9.277 4.525 1.00 0.00 C ATOM 1451 CG GLU B 103 7.123 -10.045 3.487 1.00 0.00 C ATOM 1452 CD GLU B 103 6.459 -11.331 3.014 1.00 0.00 C ATOM 1453 OE1 GLU B 103 5.217 -11.447 3.124 1.00 0.00 O ATOM 1454 OE2 GLU B 103 7.186 -12.221 2.524 1.00 0.00 O ATOM 0 H GLU B 103 7.964 -7.054 4.308 1.00 0.00 H new ATOM 0 HA GLU B 103 5.267 -7.826 3.340 1.00 0.00 H new ATOM 0 HB2 GLU B 103 6.843 -9.286 5.475 1.00 0.00 H new ATOM 0 HB3 GLU B 103 5.362 -9.794 4.687 1.00 0.00 H new ATOM 0 HG2 GLU B 103 7.298 -9.400 2.626 1.00 0.00 H new ATOM 0 HG3 GLU B 103 8.099 -10.285 3.910 1.00 0.00 H new ATOM 1461 N VAL B 104 4.772 -5.938 5.008 1.00 0.00 N ATOM 1462 CA VAL B 104 4.191 -5.067 6.032 1.00 0.00 C ATOM 1463 C VAL B 104 2.973 -5.715 6.702 1.00 0.00 C ATOM 1464 O VAL B 104 2.246 -6.472 6.022 1.00 0.00 O ATOM 1465 CB VAL B 104 3.798 -3.692 5.430 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.657 -3.839 4.431 1.00 0.00 C ATOM 1467 CG2 VAL B 104 3.435 -2.698 6.526 1.00 0.00 C ATOM 1468 OXT VAL B 104 2.763 -5.466 7.909 1.00 0.00 O ATOM 0 H VAL B 104 4.591 -5.633 4.052 1.00 0.00 H new ATOM 0 HA VAL B 104 4.954 -4.913 6.795 1.00 0.00 H new ATOM 0 HB VAL B 104 4.665 -3.302 4.896 1.00 0.00 H new ATOM 0 HG11 VAL B 104 2.401 -2.861 4.024 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.966 -4.500 3.621 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.787 -4.262 4.932 1.00 0.00 H new ATOM 0 HG21 VAL B 104 3.164 -1.743 6.076 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.591 -3.081 7.100 1.00 0.00 H new ATOM 0 HG23 VAL B 104 4.290 -2.557 7.187 1.00 0.00 H new TER 1478 VAL B 104