USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 64 ASN : amide:sc=-0.00466 X(o=-0.56,f=-0.18) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.559 K(o=-0.56,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.191) USER MOD Single : A 20 HIS : no HD1:sc= -1.95 X(o=-1.9,f=-2) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.0027) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.422 K(o=-0.42,f=-2.8!) USER MOD Single : A 51 CYS SG : rot 180:sc= -0.847 USER MOD Single : A 55 HIS : no HD1:sc= -4.61 K(o=-4.6,f=-5.3!) USER MOD Single : A 67 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 71 THR OG1 : rot -26:sc= 0.424 USER MOD Single : A 72 LYS NZ :NH3+ -140:sc= -0.0245 (180deg=-0.629) USER MOD Single : A 73 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-0.34) USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0426) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00788 USER MOD Single : A 81 SER OG : rot 79:sc= 0.493 USER MOD Single : A 82 GLN : amide:sc= -0.0214 K(o=-0.021,f=-0.84) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 -15.868 -0.740 3.558 1.00 0.00 N ATOM 2 CA PRO A 9 -15.955 -0.940 2.084 1.00 0.00 C ATOM 3 C PRO A 9 -14.571 -1.054 1.440 1.00 0.00 C ATOM 4 O PRO A 9 -13.770 -0.119 1.499 1.00 0.00 O ATOM 5 CB PRO A 9 -16.711 0.253 1.505 1.00 0.00 C ATOM 6 CG PRO A 9 -17.140 1.039 2.700 1.00 0.00 C ATOM 7 CD PRO A 9 -16.192 0.672 3.817 1.00 0.00 C ATOM 0 HA PRO A 9 -16.474 -1.875 1.874 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.074 0.845 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.568 -0.069 0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.102 2.109 2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.169 0.803 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.298 1.296 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.657 0.802 4.794 1.00 0.00 H new ATOM 17 N ILE A 10 -14.299 -2.205 0.824 1.00 0.00 N ATOM 18 CA ILE A 10 -13.013 -2.441 0.169 1.00 0.00 C ATOM 19 C ILE A 10 -12.954 -1.763 -1.203 1.00 0.00 C ATOM 20 O ILE A 10 -13.900 -1.846 -1.990 1.00 0.00 O ATOM 21 CB ILE A 10 -12.721 -3.953 0.010 1.00 0.00 C ATOM 22 CG1 ILE A 10 -11.313 -4.168 -0.555 1.00 0.00 C ATOM 23 CG2 ILE A 10 -13.765 -4.619 -0.881 1.00 0.00 C ATOM 24 CD1 ILE A 10 -10.585 -5.345 0.058 1.00 0.00 C ATOM 0 H ILE A 10 -14.951 -2.987 0.765 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.250 -2.005 0.813 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.774 -4.416 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.382 -4.316 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.725 -3.265 -0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.538 -5.681 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.753 -4.498 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.751 -4.155 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.596 -5.435 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.483 -5.191 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.151 -6.258 -0.125 1.00 0.00 H new ATOM 36 N ARG A 11 -11.835 -1.092 -1.479 1.00 0.00 N ATOM 37 CA ARG A 11 -11.646 -0.398 -2.751 1.00 0.00 C ATOM 38 C ARG A 11 -10.450 -0.967 -3.514 1.00 0.00 C ATOM 39 O ARG A 11 -9.341 -1.044 -2.981 1.00 0.00 O ATOM 40 CB ARG A 11 -11.449 1.105 -2.518 1.00 0.00 C ATOM 41 CG ARG A 11 -12.501 1.971 -3.193 1.00 0.00 C ATOM 42 CD ARG A 11 -12.317 2.005 -4.703 1.00 0.00 C ATOM 43 NE ARG A 11 -13.082 3.085 -5.324 1.00 0.00 N ATOM 44 CZ ARG A 11 -14.403 3.046 -5.527 1.00 0.00 C ATOM 45 NH1 ARG A 11 -15.113 1.985 -5.147 1.00 0.00 N ATOM 46 NH2 ARG A 11 -15.016 4.073 -6.106 1.00 0.00 N ATOM 0 H ARG A 11 -11.046 -1.015 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.543 -0.550 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.462 1.302 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.464 1.394 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.494 1.589 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.447 2.985 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.260 2.129 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.627 1.050 -5.128 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.577 3.920 -5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.649 1.195 -4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.120 1.962 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.479 4.890 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.024 4.044 -6.261 1.00 0.00 H new ATOM 60 N LYS A 12 -10.686 -1.360 -4.766 1.00 0.00 N ATOM 61 CA LYS A 12 -9.633 -1.918 -5.612 1.00 0.00 C ATOM 62 C LYS A 12 -9.093 -0.855 -6.569 1.00 0.00 C ATOM 63 O LYS A 12 -9.817 -0.375 -7.444 1.00 0.00 O ATOM 64 CB LYS A 12 -10.162 -3.118 -6.412 1.00 0.00 C ATOM 65 CG LYS A 12 -10.978 -4.103 -5.586 1.00 0.00 C ATOM 66 CD LYS A 12 -10.091 -4.954 -4.690 1.00 0.00 C ATOM 67 CE LYS A 12 -10.615 -6.378 -4.574 1.00 0.00 C ATOM 68 NZ LYS A 12 -11.514 -6.548 -3.398 1.00 0.00 N ATOM 0 H LYS A 12 -11.599 -1.302 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.823 -2.255 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.778 -2.751 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.318 -3.645 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.697 -3.558 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.551 -4.749 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.077 -4.970 -5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.035 -4.504 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.155 -6.641 -5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.775 -7.068 -4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.849 -7.532 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.993 -6.322 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.329 -5.909 -3.489 1.00 0.00 H new ATOM 82 N VAL A 13 -7.822 -0.487 -6.396 1.00 0.00 N ATOM 83 CA VAL A 13 -7.193 0.524 -7.246 1.00 0.00 C ATOM 84 C VAL A 13 -5.860 0.027 -7.809 1.00 0.00 C ATOM 85 O VAL A 13 -4.997 -0.444 -7.065 1.00 0.00 O ATOM 86 CB VAL A 13 -6.954 1.845 -6.479 1.00 0.00 C ATOM 87 CG1 VAL A 13 -6.495 2.943 -7.430 1.00 0.00 C ATOM 88 CG2 VAL A 13 -8.211 2.274 -5.733 1.00 0.00 C ATOM 0 H VAL A 13 -7.210 -0.873 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.884 0.711 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.166 1.673 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.332 3.864 -6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.565 2.642 -7.912 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.259 3.110 -8.189 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.018 3.206 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.023 2.424 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.492 1.500 -5.019 1.00 0.00 H new ATOM 98 N LEU A 14 -5.701 0.142 -9.129 1.00 0.00 N ATOM 99 CA LEU A 14 -4.476 -0.289 -9.801 1.00 0.00 C ATOM 100 C LEU A 14 -3.548 0.899 -10.055 1.00 0.00 C ATOM 101 O LEU A 14 -3.919 1.851 -10.747 1.00 0.00 O ATOM 102 CB LEU A 14 -4.813 -0.984 -11.126 1.00 0.00 C ATOM 103 CG LEU A 14 -5.175 -2.468 -11.008 1.00 0.00 C ATOM 104 CD1 LEU A 14 -6.648 -2.639 -10.662 1.00 0.00 C ATOM 105 CD2 LEU A 14 -4.837 -3.202 -12.299 1.00 0.00 C ATOM 0 H LEU A 14 -6.407 0.531 -9.754 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.962 -0.996 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.647 -0.459 -11.592 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.959 -0.886 -11.797 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.585 -2.902 -10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.882 -3.701 -10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.858 -2.150 -9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.260 -2.189 -11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.100 -4.255 -12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.399 -2.765 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.769 -3.113 -12.500 1.00 0.00 H new ATOM 117 N LEU A 15 -2.342 0.838 -9.488 1.00 0.00 N ATOM 118 CA LEU A 15 -1.358 1.909 -9.647 1.00 0.00 C ATOM 119 C LEU A 15 -0.151 1.437 -10.458 1.00 0.00 C ATOM 120 O LEU A 15 0.347 0.327 -10.263 1.00 0.00 O ATOM 121 CB LEU A 15 -0.896 2.413 -8.274 1.00 0.00 C ATOM 122 CG LEU A 15 -0.794 3.936 -8.136 1.00 0.00 C ATOM 123 CD1 LEU A 15 -0.469 4.322 -6.700 1.00 0.00 C ATOM 124 CD2 LEU A 15 0.255 4.494 -9.087 1.00 0.00 C ATOM 0 H LEU A 15 -2.023 0.057 -8.914 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.837 2.724 -10.189 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.587 2.042 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.079 1.979 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.760 4.367 -8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.401 5.407 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.256 3.959 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.483 3.877 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.311 5.577 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.225 4.054 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.019 4.251 -10.114 1.00 0.00 H new ATOM 136 N LEU A 16 0.317 2.296 -11.365 1.00 0.00 N ATOM 137 CA LEU A 16 1.470 1.980 -12.205 1.00 0.00 C ATOM 138 C LEU A 16 2.745 2.591 -11.627 1.00 0.00 C ATOM 139 O LEU A 16 2.880 3.815 -11.558 1.00 0.00 O ATOM 140 CB LEU A 16 1.248 2.492 -13.633 1.00 0.00 C ATOM 141 CG LEU A 16 1.457 1.453 -14.740 1.00 0.00 C ATOM 142 CD1 LEU A 16 0.163 0.705 -15.025 1.00 0.00 C ATOM 143 CD2 LEU A 16 1.979 2.120 -16.005 1.00 0.00 C ATOM 0 H LEU A 16 -0.087 3.217 -11.536 1.00 0.00 H new ATOM 0 HA LEU A 16 1.583 0.896 -12.230 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.232 2.880 -13.709 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.923 3.329 -13.811 1.00 0.00 H new ATOM 0 HG LEU A 16 2.200 0.732 -14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.333 -0.028 -15.814 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.169 0.195 -14.121 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.603 1.412 -15.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.122 1.368 -16.781 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.259 2.863 -16.348 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.931 2.608 -15.793 1.00 0.00 H new ATOM 155 N LYS A 17 3.679 1.733 -11.219 1.00 0.00 N ATOM 156 CA LYS A 17 4.946 2.187 -10.653 1.00 0.00 C ATOM 157 C LYS A 17 6.095 1.927 -11.624 1.00 0.00 C ATOM 158 O LYS A 17 6.105 0.919 -12.333 1.00 0.00 O ATOM 159 CB LYS A 17 5.218 1.490 -9.316 1.00 0.00 C ATOM 160 CG LYS A 17 5.631 2.443 -8.202 1.00 0.00 C ATOM 161 CD LYS A 17 7.071 2.212 -7.763 1.00 0.00 C ATOM 162 CE LYS A 17 7.143 1.446 -6.449 1.00 0.00 C ATOM 163 NZ LYS A 17 7.224 -0.026 -6.664 1.00 0.00 N ATOM 0 H LYS A 17 3.581 0.719 -11.270 1.00 0.00 H new ATOM 0 HA LYS A 17 4.874 3.261 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.322 0.952 -9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.003 0.747 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.516 3.472 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.966 2.314 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.603 1.658 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.576 3.171 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.013 1.778 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.264 1.676 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.778 -0.519 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.729 -0.276 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.221 -0.312 -6.734 1.00 0.00 H new ATOM 177 N GLU A 18 7.056 2.847 -11.653 1.00 0.00 N ATOM 178 CA GLU A 18 8.209 2.729 -12.541 1.00 0.00 C ATOM 179 C GLU A 18 9.501 2.552 -11.747 1.00 0.00 C ATOM 180 O GLU A 18 9.570 2.910 -10.571 1.00 0.00 O ATOM 181 CB GLU A 18 8.313 3.967 -13.436 1.00 0.00 C ATOM 182 CG GLU A 18 7.702 3.775 -14.817 1.00 0.00 C ATOM 183 CD GLU A 18 8.701 3.267 -15.841 1.00 0.00 C ATOM 184 OE1 GLU A 18 9.493 2.360 -15.505 1.00 0.00 O ATOM 185 OE2 GLU A 18 8.689 3.778 -16.980 1.00 0.00 O ATOM 0 H GLU A 18 7.059 3.684 -11.070 1.00 0.00 H new ATOM 0 HA GLU A 18 8.067 1.845 -13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.819 4.804 -12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.363 4.237 -13.547 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.872 3.072 -14.747 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.288 4.723 -15.160 1.00 0.00 H new ATOM 192 N ASP A 19 10.524 2.003 -12.404 1.00 0.00 N ATOM 193 CA ASP A 19 11.824 1.781 -11.765 1.00 0.00 C ATOM 194 C ASP A 19 12.410 3.097 -11.255 1.00 0.00 C ATOM 195 O ASP A 19 13.016 3.143 -10.182 1.00 0.00 O ATOM 196 CB ASP A 19 12.803 1.129 -12.750 1.00 0.00 C ATOM 197 CG ASP A 19 12.488 -0.332 -13.026 1.00 0.00 C ATOM 198 OD1 ASP A 19 11.305 -0.656 -13.267 1.00 0.00 O ATOM 199 OD2 ASP A 19 13.430 -1.153 -13.008 1.00 0.00 O ATOM 0 H ASP A 19 10.478 1.704 -13.378 1.00 0.00 H new ATOM 0 HA ASP A 19 11.671 1.112 -10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.786 1.682 -13.689 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.815 1.207 -12.353 1.00 0.00 H new ATOM 204 N HIS A 20 12.219 4.164 -12.032 1.00 0.00 N ATOM 205 CA HIS A 20 12.722 5.486 -11.668 1.00 0.00 C ATOM 206 C HIS A 20 11.837 6.149 -10.603 1.00 0.00 C ATOM 207 O HIS A 20 12.320 6.961 -9.812 1.00 0.00 O ATOM 208 CB HIS A 20 12.827 6.382 -12.911 1.00 0.00 C ATOM 209 CG HIS A 20 11.533 6.573 -13.645 1.00 0.00 C ATOM 210 ND1 HIS A 20 10.647 7.586 -13.352 1.00 0.00 N ATOM 211 CD2 HIS A 20 10.982 5.880 -14.671 1.00 0.00 C ATOM 212 CE1 HIS A 20 9.607 7.509 -14.163 1.00 0.00 C ATOM 213 NE2 HIS A 20 9.785 6.482 -14.974 1.00 0.00 N ATOM 0 H HIS A 20 11.718 4.136 -12.920 1.00 0.00 H new ATOM 0 HA HIS A 20 13.717 5.357 -11.242 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.208 7.358 -12.610 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.559 5.951 -13.594 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.405 5.015 -15.160 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.756 8.173 -14.163 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.139 6.185 -15.706 1.00 0.00 H new ATOM 222 N GLU A 21 10.544 5.801 -10.583 1.00 0.00 N ATOM 223 CA GLU A 21 9.608 6.368 -9.610 1.00 0.00 C ATOM 224 C GLU A 21 9.553 5.523 -8.338 1.00 0.00 C ATOM 225 O GLU A 21 9.913 4.345 -8.345 1.00 0.00 O ATOM 226 CB GLU A 21 8.204 6.478 -10.213 1.00 0.00 C ATOM 227 CG GLU A 21 8.081 7.552 -11.282 1.00 0.00 C ATOM 228 CD GLU A 21 7.076 8.629 -10.919 1.00 0.00 C ATOM 229 OE1 GLU A 21 7.417 9.509 -10.101 1.00 0.00 O ATOM 230 OE2 GLU A 21 5.948 8.593 -11.454 1.00 0.00 O ATOM 0 H GLU A 21 10.125 5.131 -11.228 1.00 0.00 H new ATOM 0 HA GLU A 21 9.967 7.364 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.927 5.516 -10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.491 6.688 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.056 8.011 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.787 7.089 -12.224 1.00 0.00 H new ATOM 237 N GLY A 22 9.094 6.137 -7.248 1.00 0.00 N ATOM 238 CA GLY A 22 8.991 5.435 -5.979 1.00 0.00 C ATOM 239 C GLY A 22 7.552 5.123 -5.606 1.00 0.00 C ATOM 240 O GLY A 22 6.652 5.222 -6.444 1.00 0.00 O ATOM 0 H GLY A 22 8.791 7.111 -7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.559 4.506 -6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.444 6.040 -5.194 1.00 0.00 H new ATOM 244 N LEU A 23 7.331 4.750 -4.344 1.00 0.00 N ATOM 245 CA LEU A 23 5.986 4.427 -3.861 1.00 0.00 C ATOM 246 C LEU A 23 5.088 5.666 -3.882 1.00 0.00 C ATOM 247 O LEU A 23 3.937 5.601 -4.318 1.00 0.00 O ATOM 248 CB LEU A 23 6.044 3.848 -2.439 1.00 0.00 C ATOM 249 CG LEU A 23 5.439 2.449 -2.275 1.00 0.00 C ATOM 250 CD1 LEU A 23 5.581 1.973 -0.836 1.00 0.00 C ATOM 251 CD2 LEU A 23 3.975 2.446 -2.694 1.00 0.00 C ATOM 0 H LEU A 23 8.063 4.664 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 23 5.562 3.677 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.086 3.815 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.526 4.531 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 23 5.983 1.762 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.146 0.978 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.637 1.936 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.062 2.663 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.563 1.444 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.417 3.147 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.895 2.745 -3.739 1.00 0.00 H new ATOM 263 N GLY A 24 5.625 6.792 -3.404 1.00 0.00 N ATOM 264 CA GLY A 24 4.866 8.033 -3.372 1.00 0.00 C ATOM 265 C GLY A 24 3.956 8.153 -2.155 1.00 0.00 C ATOM 266 O GLY A 24 3.214 9.128 -2.030 1.00 0.00 O ATOM 0 H GLY A 24 6.574 6.864 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.559 8.875 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.262 8.105 -4.277 1.00 0.00 H new ATOM 270 N ILE A 25 4.013 7.168 -1.255 1.00 0.00 N ATOM 271 CA ILE A 25 3.191 7.179 -0.048 1.00 0.00 C ATOM 272 C ILE A 25 3.927 6.524 1.118 1.00 0.00 C ATOM 273 O ILE A 25 4.704 5.587 0.923 1.00 0.00 O ATOM 274 CB ILE A 25 1.843 6.451 -0.256 1.00 0.00 C ATOM 275 CG1 ILE A 25 2.068 5.051 -0.838 1.00 0.00 C ATOM 276 CG2 ILE A 25 0.925 7.266 -1.156 1.00 0.00 C ATOM 277 CD1 ILE A 25 2.028 3.953 0.201 1.00 0.00 C ATOM 0 H ILE A 25 4.621 6.354 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 25 2.991 8.226 0.180 1.00 0.00 H new ATOM 0 HB ILE A 25 1.360 6.343 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.307 4.854 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.033 5.027 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.018 6.736 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.734 8.236 -0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.401 7.410 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.195 2.990 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.807 4.127 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.054 3.950 0.690 1.00 0.00 H new ATOM 289 N SER A 26 3.673 7.018 2.328 1.00 0.00 N ATOM 290 CA SER A 26 4.307 6.477 3.527 1.00 0.00 C ATOM 291 C SER A 26 3.293 5.702 4.366 1.00 0.00 C ATOM 292 O SER A 26 2.140 6.118 4.504 1.00 0.00 O ATOM 293 CB SER A 26 4.930 7.601 4.356 1.00 0.00 C ATOM 294 OG SER A 26 5.612 8.534 3.528 1.00 0.00 O ATOM 0 H SER A 26 3.032 7.792 2.503 1.00 0.00 H new ATOM 0 HA SER A 26 5.097 5.793 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.152 8.114 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.625 7.179 5.082 1.00 0.00 H new ATOM 0 HG SER A 26 5.999 9.242 4.084 1.00 0.00 H new ATOM 300 N ILE A 27 3.728 4.569 4.918 1.00 0.00 N ATOM 301 CA ILE A 27 2.855 3.725 5.734 1.00 0.00 C ATOM 302 C ILE A 27 3.342 3.639 7.180 1.00 0.00 C ATOM 303 O ILE A 27 4.526 3.838 7.463 1.00 0.00 O ATOM 304 CB ILE A 27 2.746 2.299 5.153 1.00 0.00 C ATOM 305 CG1 ILE A 27 4.137 1.721 4.862 1.00 0.00 C ATOM 306 CG2 ILE A 27 1.894 2.303 3.890 1.00 0.00 C ATOM 307 CD1 ILE A 27 4.123 0.246 4.520 1.00 0.00 C ATOM 0 H ILE A 27 4.679 4.215 4.815 1.00 0.00 H new ATOM 0 HA ILE A 27 1.871 4.194 5.720 1.00 0.00 H new ATOM 0 HB ILE A 27 2.263 1.664 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.584 2.273 4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.775 1.877 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.827 1.290 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.894 2.667 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.350 2.955 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.141 -0.092 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.706 -0.317 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.512 0.084 3.632 1.00 0.00 H new ATOM 319 N THR A 28 2.416 3.340 8.093 1.00 0.00 N ATOM 320 CA THR A 28 2.744 3.227 9.513 1.00 0.00 C ATOM 321 C THR A 28 1.929 2.117 10.187 1.00 0.00 C ATOM 322 O THR A 28 0.851 1.749 9.714 1.00 0.00 O ATOM 323 CB THR A 28 2.504 4.570 10.217 1.00 0.00 C ATOM 324 OG1 THR A 28 2.860 4.493 11.586 1.00 0.00 O ATOM 325 CG2 THR A 28 1.067 5.048 10.141 1.00 0.00 C ATOM 0 H THR A 28 1.434 3.172 7.873 1.00 0.00 H new ATOM 0 HA THR A 28 3.798 2.963 9.598 1.00 0.00 H new ATOM 0 HB THR A 28 3.132 5.284 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.701 5.360 12.015 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.973 6.002 10.660 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.780 5.173 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.414 4.313 10.612 1.00 0.00 H new ATOM 333 N GLY A 29 2.460 1.588 11.294 1.00 0.00 N ATOM 334 CA GLY A 29 1.783 0.524 12.023 1.00 0.00 C ATOM 335 C GLY A 29 2.687 -0.671 12.275 1.00 0.00 C ATOM 336 O GLY A 29 3.906 -0.517 12.397 1.00 0.00 O ATOM 0 H GLY A 29 3.350 1.880 11.698 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.424 0.912 12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.907 0.201 11.460 1.00 0.00 H new ATOM 340 N GLY A 30 2.096 -1.866 12.349 1.00 0.00 N ATOM 341 CA GLY A 30 2.880 -3.070 12.580 1.00 0.00 C ATOM 342 C GLY A 30 2.024 -4.279 12.910 1.00 0.00 C ATOM 343 O GLY A 30 1.447 -4.359 13.996 1.00 0.00 O ATOM 0 H GLY A 30 1.092 -2.020 12.253 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.476 -3.285 11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.578 -2.891 13.398 1.00 0.00 H new ATOM 347 N LYS A 31 1.949 -5.227 11.972 1.00 0.00 N ATOM 348 CA LYS A 31 1.165 -6.449 12.165 1.00 0.00 C ATOM 349 C LYS A 31 1.630 -7.212 13.405 1.00 0.00 C ATOM 350 O LYS A 31 0.816 -7.787 14.129 1.00 0.00 O ATOM 351 CB LYS A 31 1.266 -7.353 10.934 1.00 0.00 C ATOM 352 CG LYS A 31 0.052 -8.246 10.732 1.00 0.00 C ATOM 353 CD LYS A 31 0.170 -9.542 11.521 1.00 0.00 C ATOM 354 CE LYS A 31 -1.147 -9.914 12.185 1.00 0.00 C ATOM 355 NZ LYS A 31 -0.997 -11.064 13.121 1.00 0.00 N ATOM 0 H LYS A 31 2.423 -5.171 11.070 1.00 0.00 H new ATOM 0 HA LYS A 31 0.125 -6.156 12.308 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.401 -6.732 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.155 -7.978 11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.847 -7.713 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.060 -8.474 9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.483 -10.347 10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.945 -9.437 12.281 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.534 -9.052 12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.881 -10.164 11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.918 -11.284 13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.652 -11.894 12.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.316 -10.817 13.868 1.00 0.00 H new ATOM 369 N GLU A 32 2.943 -7.208 13.644 1.00 0.00 N ATOM 370 CA GLU A 32 3.520 -7.892 14.801 1.00 0.00 C ATOM 371 C GLU A 32 2.934 -7.348 16.107 1.00 0.00 C ATOM 372 O GLU A 32 2.802 -8.079 17.089 1.00 0.00 O ATOM 373 CB GLU A 32 5.042 -7.730 14.801 1.00 0.00 C ATOM 374 CG GLU A 32 5.769 -8.761 15.648 1.00 0.00 C ATOM 375 CD GLU A 32 7.238 -8.878 15.285 1.00 0.00 C ATOM 376 OE1 GLU A 32 7.541 -9.450 14.216 1.00 0.00 O ATOM 377 OE2 GLU A 32 8.083 -8.399 16.068 1.00 0.00 O ATOM 0 H GLU A 32 3.627 -6.738 13.051 1.00 0.00 H new ATOM 0 HA GLU A 32 3.272 -8.951 14.730 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.405 -7.795 13.775 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.292 -6.733 15.165 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.678 -8.492 16.700 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.289 -9.732 15.525 1.00 0.00 H new ATOM 384 N HIS A 33 2.575 -6.062 16.107 1.00 0.00 N ATOM 385 CA HIS A 33 1.994 -5.421 17.286 1.00 0.00 C ATOM 386 C HIS A 33 0.532 -5.832 17.476 1.00 0.00 C ATOM 387 O HIS A 33 0.006 -5.782 18.589 1.00 0.00 O ATOM 388 CB HIS A 33 2.082 -3.896 17.170 1.00 0.00 C ATOM 389 CG HIS A 33 3.479 -3.368 17.032 1.00 0.00 C ATOM 390 ND1 HIS A 33 4.074 -2.556 17.975 1.00 0.00 N ATOM 391 CD2 HIS A 33 4.396 -3.529 16.047 1.00 0.00 C ATOM 392 CE1 HIS A 33 5.293 -2.240 17.577 1.00 0.00 C ATOM 393 NE2 HIS A 33 5.512 -2.818 16.411 1.00 0.00 N ATOM 0 H HIS A 33 2.677 -5.444 15.302 1.00 0.00 H new ATOM 0 HA HIS A 33 2.566 -5.751 18.153 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.498 -3.574 16.308 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.622 -3.449 18.051 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.272 -4.109 15.144 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.991 -1.615 18.114 1.00 0.00 H new ATOM 0 HE2 HIS A 33 6.372 -2.748 15.868 1.00 0.00 H new ATOM 402 N GLY A 34 -0.120 -6.233 16.382 1.00 0.00 N ATOM 403 CA GLY A 34 -1.514 -6.642 16.447 1.00 0.00 C ATOM 404 C GLY A 34 -2.447 -5.703 15.695 1.00 0.00 C ATOM 405 O GLY A 34 -3.634 -5.622 16.013 1.00 0.00 O ATOM 0 H GLY A 34 0.295 -6.281 15.452 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.611 -7.647 16.036 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.823 -6.693 17.491 1.00 0.00 H new ATOM 409 N VAL A 35 -1.915 -4.997 14.694 1.00 0.00 N ATOM 410 CA VAL A 35 -2.714 -4.067 13.897 1.00 0.00 C ATOM 411 C VAL A 35 -2.216 -4.006 12.452 1.00 0.00 C ATOM 412 O VAL A 35 -1.008 -4.013 12.205 1.00 0.00 O ATOM 413 CB VAL A 35 -2.693 -2.640 14.486 1.00 0.00 C ATOM 414 CG1 VAL A 35 -3.579 -2.549 15.719 1.00 0.00 C ATOM 415 CG2 VAL A 35 -1.269 -2.211 14.814 1.00 0.00 C ATOM 0 H VAL A 35 -0.935 -5.053 14.417 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.736 -4.446 13.918 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.089 -1.959 13.733 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.547 -1.534 16.116 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.605 -2.802 15.450 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.221 -3.246 16.477 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.279 -1.203 15.228 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.841 -2.898 15.544 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.667 -2.225 13.906 1.00 0.00 H new ATOM 425 N PRO A 36 -3.143 -3.936 11.476 1.00 0.00 N ATOM 426 CA PRO A 36 -2.789 -3.865 10.051 1.00 0.00 C ATOM 427 C PRO A 36 -2.146 -2.528 9.679 1.00 0.00 C ATOM 428 O PRO A 36 -2.338 -1.527 10.370 1.00 0.00 O ATOM 429 CB PRO A 36 -4.135 -4.033 9.341 1.00 0.00 C ATOM 430 CG PRO A 36 -5.149 -3.563 10.327 1.00 0.00 C ATOM 431 CD PRO A 36 -4.604 -3.916 11.683 1.00 0.00 C ATOM 0 HA PRO A 36 -2.052 -4.619 9.775 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.174 -3.446 8.424 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.307 -5.072 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.310 -2.489 10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -6.112 -4.045 10.156 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.892 -3.181 12.435 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.974 -4.883 12.024 1.00 0.00 H new ATOM 439 N ILE A 37 -1.385 -2.517 8.584 1.00 0.00 N ATOM 440 CA ILE A 37 -0.720 -1.298 8.127 1.00 0.00 C ATOM 441 C ILE A 37 -1.679 -0.431 7.311 1.00 0.00 C ATOM 442 O ILE A 37 -2.444 -0.942 6.491 1.00 0.00 O ATOM 443 CB ILE A 37 0.531 -1.610 7.272 1.00 0.00 C ATOM 444 CG1 ILE A 37 1.420 -2.656 7.956 1.00 0.00 C ATOM 445 CG2 ILE A 37 1.322 -0.337 7.003 1.00 0.00 C ATOM 446 CD1 ILE A 37 1.850 -2.277 9.359 1.00 0.00 C ATOM 0 H ILE A 37 -1.215 -3.335 8.000 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.404 -0.758 9.020 1.00 0.00 H new ATOM 0 HB ILE A 37 0.195 -2.022 6.320 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.884 -3.604 7.995 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.309 -2.817 7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.199 -0.574 6.400 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.695 0.375 6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.640 0.101 7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.475 -3.067 9.774 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.416 -1.346 9.327 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.969 -2.145 9.986 1.00 0.00 H new ATOM 458 N LEU A 38 -1.639 0.882 7.546 1.00 0.00 N ATOM 459 CA LEU A 38 -2.513 1.817 6.836 1.00 0.00 C ATOM 460 C LEU A 38 -1.731 3.013 6.287 1.00 0.00 C ATOM 461 O LEU A 38 -0.643 3.332 6.772 1.00 0.00 O ATOM 462 CB LEU A 38 -3.627 2.316 7.767 1.00 0.00 C ATOM 463 CG LEU A 38 -4.383 1.226 8.535 1.00 0.00 C ATOM 464 CD1 LEU A 38 -3.755 1.004 9.902 1.00 0.00 C ATOM 465 CD2 LEU A 38 -5.852 1.596 8.679 1.00 0.00 C ATOM 0 H LEU A 38 -1.012 1.321 8.221 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.952 1.280 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.191 3.008 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.345 2.883 7.174 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.315 0.297 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.305 0.227 10.433 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.717 0.695 9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.793 1.931 10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.373 0.811 9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.939 2.537 9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.298 1.706 7.691 1.00 0.00 H new ATOM 477 N ILE A 39 -2.303 3.680 5.279 1.00 0.00 N ATOM 478 CA ILE A 39 -1.673 4.852 4.668 1.00 0.00 C ATOM 479 C ILE A 39 -1.977 6.111 5.474 1.00 0.00 C ATOM 480 O ILE A 39 -3.139 6.398 5.773 1.00 0.00 O ATOM 481 CB ILE A 39 -2.147 5.080 3.213 1.00 0.00 C ATOM 482 CG1 ILE A 39 -2.151 3.769 2.422 1.00 0.00 C ATOM 483 CG2 ILE A 39 -1.265 6.115 2.525 1.00 0.00 C ATOM 484 CD1 ILE A 39 -0.779 3.151 2.254 1.00 0.00 C ATOM 0 H ILE A 39 -3.202 3.427 4.870 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.601 4.655 4.662 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.170 5.456 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.802 3.054 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.580 3.952 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.610 6.265 1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.319 7.058 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.234 5.763 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.864 2.226 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.129 3.846 1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.355 2.935 3.235 1.00 0.00 H new ATOM 496 N SER A 40 -0.928 6.858 5.816 1.00 0.00 N ATOM 497 CA SER A 40 -1.080 8.091 6.585 1.00 0.00 C ATOM 498 C SER A 40 -0.456 9.286 5.860 1.00 0.00 C ATOM 499 O SER A 40 -1.054 10.362 5.803 1.00 0.00 O ATOM 500 CB SER A 40 -0.448 7.935 7.970 1.00 0.00 C ATOM 501 OG SER A 40 -0.979 8.880 8.883 1.00 0.00 O ATOM 0 H SER A 40 0.036 6.630 5.572 1.00 0.00 H new ATOM 0 HA SER A 40 -2.148 8.282 6.695 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.625 6.926 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.632 8.063 7.897 1.00 0.00 H new ATOM 0 HG SER A 40 -0.560 8.758 9.761 1.00 0.00 H new ATOM 507 N GLU A 41 0.747 9.099 5.312 1.00 0.00 N ATOM 508 CA GLU A 41 1.438 10.174 4.602 1.00 0.00 C ATOM 509 C GLU A 41 1.393 9.955 3.090 1.00 0.00 C ATOM 510 O GLU A 41 1.461 8.819 2.615 1.00 0.00 O ATOM 511 CB GLU A 41 2.892 10.268 5.068 1.00 0.00 C ATOM 512 CG GLU A 41 3.409 11.691 5.202 1.00 0.00 C ATOM 513 CD GLU A 41 3.265 12.234 6.610 1.00 0.00 C ATOM 514 OE1 GLU A 41 2.118 12.487 7.036 1.00 0.00 O ATOM 515 OE2 GLU A 41 4.300 12.405 7.287 1.00 0.00 O ATOM 0 H GLU A 41 1.259 8.218 5.347 1.00 0.00 H new ATOM 0 HA GLU A 41 0.925 11.109 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.987 9.766 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.524 9.728 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.459 11.721 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.868 12.337 4.510 1.00 0.00 H new ATOM 522 N ILE A 42 1.286 11.054 2.344 1.00 0.00 N ATOM 523 CA ILE A 42 1.236 11.000 0.885 1.00 0.00 C ATOM 524 C ILE A 42 2.216 12.001 0.272 1.00 0.00 C ATOM 525 O ILE A 42 2.215 13.180 0.632 1.00 0.00 O ATOM 526 CB ILE A 42 -0.187 11.298 0.357 1.00 0.00 C ATOM 527 CG1 ILE A 42 -1.226 10.451 1.102 1.00 0.00 C ATOM 528 CG2 ILE A 42 -0.265 11.044 -1.144 1.00 0.00 C ATOM 529 CD1 ILE A 42 -2.657 10.786 0.737 1.00 0.00 C ATOM 0 H ILE A 42 1.232 11.997 2.729 1.00 0.00 H new ATOM 0 HA ILE A 42 1.516 9.988 0.592 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.408 12.350 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.043 9.398 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.092 10.588 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.273 11.259 -1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.446 11.690 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.023 10.001 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.336 10.148 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.858 11.830 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.808 10.621 -0.330 1.00 0.00 H new ATOM 541 N HIS A 43 3.051 11.526 -0.653 1.00 0.00 N ATOM 542 CA HIS A 43 4.033 12.383 -1.310 1.00 0.00 C ATOM 543 C HIS A 43 3.422 13.085 -2.521 1.00 0.00 C ATOM 544 O HIS A 43 3.054 12.436 -3.502 1.00 0.00 O ATOM 545 CB HIS A 43 5.254 11.568 -1.747 1.00 0.00 C ATOM 546 CG HIS A 43 6.190 11.238 -0.627 1.00 0.00 C ATOM 547 ND1 HIS A 43 7.313 11.986 -0.339 1.00 0.00 N ATOM 548 CD2 HIS A 43 6.167 10.232 0.282 1.00 0.00 C ATOM 549 CE1 HIS A 43 7.940 11.455 0.696 1.00 0.00 C ATOM 550 NE2 HIS A 43 7.265 10.392 1.091 1.00 0.00 N ATOM 0 H HIS A 43 3.065 10.554 -0.962 1.00 0.00 H new ATOM 0 HA HIS A 43 4.349 13.139 -0.591 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.914 10.641 -2.210 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.797 12.125 -2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.424 9.451 0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.850 11.828 1.143 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.518 9.787 1.872 1.00 0.00 H new ATOM 559 N PRO A 44 3.312 14.427 -2.469 1.00 0.00 N ATOM 560 CA PRO A 44 2.748 15.215 -3.569 1.00 0.00 C ATOM 561 C PRO A 44 3.667 15.242 -4.788 1.00 0.00 C ATOM 562 O PRO A 44 4.822 15.663 -4.697 1.00 0.00 O ATOM 563 CB PRO A 44 2.604 16.617 -2.971 1.00 0.00 C ATOM 564 CG PRO A 44 3.617 16.676 -1.881 1.00 0.00 C ATOM 565 CD PRO A 44 3.732 15.278 -1.338 1.00 0.00 C ATOM 0 HA PRO A 44 1.808 14.798 -3.930 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.786 17.387 -3.721 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.598 16.780 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.577 17.026 -2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.309 17.372 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.751 15.053 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.092 15.132 -0.468 1.00 0.00 H new ATOM 573 N GLY A 45 3.145 14.787 -5.925 1.00 0.00 N ATOM 574 CA GLY A 45 3.928 14.761 -7.151 1.00 0.00 C ATOM 575 C GLY A 45 4.501 13.385 -7.449 1.00 0.00 C ATOM 576 O GLY A 45 5.606 13.269 -7.984 1.00 0.00 O ATOM 0 H GLY A 45 2.192 14.435 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.302 15.078 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.743 15.481 -7.073 1.00 0.00 H new ATOM 580 N GLN A 46 3.746 12.344 -7.106 1.00 0.00 N ATOM 581 CA GLN A 46 4.167 10.967 -7.336 1.00 0.00 C ATOM 582 C GLN A 46 3.003 10.149 -7.901 1.00 0.00 C ATOM 583 O GLN A 46 1.880 10.651 -7.991 1.00 0.00 O ATOM 584 CB GLN A 46 4.667 10.347 -6.026 1.00 0.00 C ATOM 585 CG GLN A 46 6.162 10.060 -6.020 1.00 0.00 C ATOM 586 CD GLN A 46 6.914 10.894 -5.000 1.00 0.00 C ATOM 587 OE1 GLN A 46 7.238 10.420 -3.911 1.00 0.00 O ATOM 588 NE2 GLN A 46 7.197 12.145 -5.348 1.00 0.00 N ATOM 0 H GLN A 46 2.831 12.431 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 46 4.981 10.961 -8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.431 11.020 -5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.126 9.418 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.324 9.003 -5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.569 10.253 -7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.910 12.498 -6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.701 12.752 -4.702 1.00 0.00 H new ATOM 597 N PRO A 47 3.247 8.877 -8.287 1.00 0.00 N ATOM 598 CA PRO A 47 2.201 8.004 -8.837 1.00 0.00 C ATOM 599 C PRO A 47 0.943 7.966 -7.966 1.00 0.00 C ATOM 600 O PRO A 47 -0.168 7.820 -8.480 1.00 0.00 O ATOM 601 CB PRO A 47 2.865 6.627 -8.866 1.00 0.00 C ATOM 602 CG PRO A 47 4.320 6.913 -8.980 1.00 0.00 C ATOM 603 CD PRO A 47 4.553 8.190 -8.217 1.00 0.00 C ATOM 0 HA PRO A 47 1.859 8.353 -9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.642 6.061 -7.962 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.511 6.034 -9.709 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.912 6.097 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.616 7.022 -10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.848 7.994 -7.186 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.346 8.788 -8.667 1.00 0.00 H new ATOM 611 N ALA A 48 1.123 8.100 -6.648 1.00 0.00 N ATOM 612 CA ALA A 48 -0.001 8.082 -5.712 1.00 0.00 C ATOM 613 C ALA A 48 -0.992 9.208 -6.013 1.00 0.00 C ATOM 614 O ALA A 48 -2.203 8.984 -6.056 1.00 0.00 O ATOM 615 CB ALA A 48 0.498 8.189 -4.278 1.00 0.00 C ATOM 0 H ALA A 48 2.035 8.222 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.521 7.132 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.351 8.174 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.155 7.348 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.048 9.122 -4.153 1.00 0.00 H new ATOM 621 N ASP A 49 -0.467 10.415 -6.230 1.00 0.00 N ATOM 622 CA ASP A 49 -1.301 11.578 -6.538 1.00 0.00 C ATOM 623 C ASP A 49 -1.935 11.437 -7.921 1.00 0.00 C ATOM 624 O ASP A 49 -3.105 11.771 -8.114 1.00 0.00 O ATOM 625 CB ASP A 49 -0.469 12.867 -6.474 1.00 0.00 C ATOM 626 CG ASP A 49 -0.393 13.454 -5.074 1.00 0.00 C ATOM 627 OD1 ASP A 49 -0.181 12.684 -4.113 1.00 0.00 O ATOM 628 OD2 ASP A 49 -0.539 14.687 -4.943 1.00 0.00 O ATOM 0 H ASP A 49 0.533 10.613 -6.198 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.095 11.632 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.540 12.660 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.901 13.606 -7.149 1.00 0.00 H new ATOM 633 N ARG A 50 -1.155 10.932 -8.877 1.00 0.00 N ATOM 634 CA ARG A 50 -1.634 10.734 -10.244 1.00 0.00 C ATOM 635 C ARG A 50 -2.828 9.778 -10.286 1.00 0.00 C ATOM 636 O ARG A 50 -3.719 9.928 -11.123 1.00 0.00 O ATOM 637 CB ARG A 50 -0.507 10.190 -11.123 1.00 0.00 C ATOM 638 CG ARG A 50 0.436 11.262 -11.642 1.00 0.00 C ATOM 639 CD ARG A 50 1.753 10.662 -12.111 1.00 0.00 C ATOM 640 NE ARG A 50 2.148 11.164 -13.426 1.00 0.00 N ATOM 641 CZ ARG A 50 1.568 10.796 -14.574 1.00 0.00 C ATOM 642 NH1 ARG A 50 0.555 9.933 -14.572 1.00 0.00 N ATOM 643 NH2 ARG A 50 2.003 11.297 -15.725 1.00 0.00 N ATOM 0 H ARG A 50 -0.186 10.652 -8.728 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.960 11.702 -10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.067 9.460 -10.552 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.943 9.661 -11.971 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.036 11.796 -12.466 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.627 11.993 -10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.534 10.891 -11.386 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.663 9.576 -12.150 1.00 0.00 H new ATOM 0 HE ARG A 50 2.913 11.837 -13.471 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.215 9.547 -13.691 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.118 9.657 -15.452 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.778 11.961 -15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.562 11.018 -16.602 1.00 0.00 H new ATOM 657 N CYS A 51 -2.843 8.793 -9.383 1.00 0.00 N ATOM 658 CA CYS A 51 -3.931 7.818 -9.330 1.00 0.00 C ATOM 659 C CYS A 51 -5.223 8.445 -8.796 1.00 0.00 C ATOM 660 O CYS A 51 -6.319 7.996 -9.133 1.00 0.00 O ATOM 661 CB CYS A 51 -3.534 6.628 -8.453 1.00 0.00 C ATOM 662 SG CYS A 51 -4.396 5.092 -8.862 1.00 0.00 S ATOM 0 H CYS A 51 -2.116 8.652 -8.682 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.115 7.475 -10.348 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.460 6.465 -8.544 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.731 6.877 -7.410 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.993 4.144 -8.069 1.00 0.00 H new ATOM 668 N GLY A 52 -5.089 9.477 -7.959 1.00 0.00 N ATOM 669 CA GLY A 52 -6.256 10.138 -7.392 1.00 0.00 C ATOM 670 C GLY A 52 -7.060 9.240 -6.458 1.00 0.00 C ATOM 671 O GLY A 52 -8.211 9.546 -6.141 1.00 0.00 O ATOM 0 H GLY A 52 -4.193 9.866 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.934 11.024 -6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.901 10.480 -8.201 1.00 0.00 H new ATOM 675 N GLY A 53 -6.457 8.128 -6.022 1.00 0.00 N ATOM 676 CA GLY A 53 -7.139 7.199 -5.131 1.00 0.00 C ATOM 677 C GLY A 53 -6.449 7.048 -3.785 1.00 0.00 C ATOM 678 O GLY A 53 -7.111 6.830 -2.768 1.00 0.00 O ATOM 0 H GLY A 53 -5.506 7.856 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.161 7.542 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.201 6.223 -5.612 1.00 0.00 H new ATOM 682 N LEU A 54 -5.118 7.160 -3.774 1.00 0.00 N ATOM 683 CA LEU A 54 -4.349 7.032 -2.537 1.00 0.00 C ATOM 684 C LEU A 54 -4.653 8.194 -1.589 1.00 0.00 C ATOM 685 O LEU A 54 -4.052 9.266 -1.686 1.00 0.00 O ATOM 686 CB LEU A 54 -2.848 6.968 -2.847 1.00 0.00 C ATOM 687 CG LEU A 54 -2.110 5.757 -2.264 1.00 0.00 C ATOM 688 CD1 LEU A 54 -2.209 5.747 -0.746 1.00 0.00 C ATOM 689 CD2 LEU A 54 -2.655 4.459 -2.847 1.00 0.00 C ATOM 0 H LEU A 54 -4.554 7.338 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.641 6.105 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.717 6.966 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.377 7.876 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.058 5.837 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.679 4.880 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.762 6.657 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.257 5.697 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.116 3.614 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.715 4.371 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.523 4.463 -3.929 1.00 0.00 H new ATOM 701 N HIS A 55 -5.602 7.968 -0.679 1.00 0.00 N ATOM 702 CA HIS A 55 -6.010 8.984 0.288 1.00 0.00 C ATOM 703 C HIS A 55 -5.534 8.623 1.694 1.00 0.00 C ATOM 704 O HIS A 55 -5.292 7.453 1.997 1.00 0.00 O ATOM 705 CB HIS A 55 -7.538 9.143 0.278 1.00 0.00 C ATOM 706 CG HIS A 55 -8.277 7.890 0.655 1.00 0.00 C ATOM 707 ND1 HIS A 55 -8.221 7.334 1.916 1.00 0.00 N ATOM 708 CD2 HIS A 55 -9.074 7.073 -0.076 1.00 0.00 C ATOM 709 CE1 HIS A 55 -8.944 6.232 1.943 1.00 0.00 C ATOM 710 NE2 HIS A 55 -9.473 6.048 0.747 1.00 0.00 N ATOM 0 H HIS A 55 -6.104 7.084 -0.593 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.549 9.929 0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.816 9.940 0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.856 9.457 -0.716 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.345 7.204 -1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.081 5.588 2.799 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.078 5.272 0.478 1.00 0.00 H new ATOM 719 N VAL A 56 -5.417 9.634 2.555 1.00 0.00 N ATOM 720 CA VAL A 56 -4.986 9.415 3.934 1.00 0.00 C ATOM 721 C VAL A 56 -6.044 8.624 4.703 1.00 0.00 C ATOM 722 O VAL A 56 -7.235 8.934 4.629 1.00 0.00 O ATOM 723 CB VAL A 56 -4.713 10.745 4.673 1.00 0.00 C ATOM 724 CG1 VAL A 56 -4.112 10.484 6.048 1.00 0.00 C ATOM 725 CG2 VAL A 56 -3.802 11.646 3.852 1.00 0.00 C ATOM 0 H VAL A 56 -5.614 10.608 2.323 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.055 8.849 3.891 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.665 11.258 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.928 11.433 6.551 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.806 9.888 6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.172 9.944 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.625 12.575 4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.852 11.141 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.276 11.868 2.896 1.00 0.00 H new ATOM 735 N GLY A 57 -5.603 7.602 5.434 1.00 0.00 N ATOM 736 CA GLY A 57 -6.525 6.779 6.202 1.00 0.00 C ATOM 737 C GLY A 57 -7.008 5.565 5.425 1.00 0.00 C ATOM 738 O GLY A 57 -8.203 5.260 5.417 1.00 0.00 O ATOM 0 H GLY A 57 -4.623 7.329 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.035 6.449 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.384 7.381 6.499 1.00 0.00 H new ATOM 742 N ASP A 58 -6.074 4.872 4.774 1.00 0.00 N ATOM 743 CA ASP A 58 -6.393 3.679 3.989 1.00 0.00 C ATOM 744 C ASP A 58 -5.803 2.431 4.644 1.00 0.00 C ATOM 745 O ASP A 58 -4.597 2.367 4.878 1.00 0.00 O ATOM 746 CB ASP A 58 -5.850 3.823 2.562 1.00 0.00 C ATOM 747 CG ASP A 58 -6.947 3.868 1.512 1.00 0.00 C ATOM 748 OD1 ASP A 58 -7.995 3.212 1.710 1.00 0.00 O ATOM 749 OD2 ASP A 58 -6.756 4.557 0.488 1.00 0.00 O ATOM 0 H ASP A 58 -5.084 5.118 4.775 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.477 3.574 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.254 4.733 2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.183 2.988 2.347 1.00 0.00 H new ATOM 754 N ALA A 59 -6.648 1.441 4.933 1.00 0.00 N ATOM 755 CA ALA A 59 -6.182 0.204 5.559 1.00 0.00 C ATOM 756 C ALA A 59 -5.815 -0.841 4.509 1.00 0.00 C ATOM 757 O ALA A 59 -6.655 -1.248 3.706 1.00 0.00 O ATOM 758 CB ALA A 59 -7.241 -0.343 6.507 1.00 0.00 C ATOM 0 H ALA A 59 -7.650 1.471 4.746 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.284 0.434 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.879 -1.264 6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.448 0.392 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.155 -0.550 5.951 1.00 0.00 H new ATOM 764 N ILE A 60 -4.553 -1.274 4.525 1.00 0.00 N ATOM 765 CA ILE A 60 -4.069 -2.273 3.573 1.00 0.00 C ATOM 766 C ILE A 60 -4.566 -3.672 3.927 1.00 0.00 C ATOM 767 O ILE A 60 -4.598 -4.055 5.098 1.00 0.00 O ATOM 768 CB ILE A 60 -2.524 -2.308 3.506 1.00 0.00 C ATOM 769 CG1 ILE A 60 -1.949 -0.899 3.333 1.00 0.00 C ATOM 770 CG2 ILE A 60 -2.068 -3.210 2.367 1.00 0.00 C ATOM 771 CD1 ILE A 60 -0.482 -0.801 3.693 1.00 0.00 C ATOM 0 H ILE A 60 -3.849 -0.948 5.187 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.465 -1.977 2.602 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.151 -2.711 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.084 -0.584 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.515 -0.205 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.979 -3.227 2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.441 -4.221 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.457 -2.829 1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.139 0.223 3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.344 -1.085 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.095 -1.471 3.055 1.00 0.00 H new ATOM 783 N LEU A 61 -4.937 -4.433 2.898 1.00 0.00 N ATOM 784 CA LEU A 61 -5.418 -5.799 3.083 1.00 0.00 C ATOM 785 C LEU A 61 -4.650 -6.770 2.182 1.00 0.00 C ATOM 786 O LEU A 61 -4.125 -7.781 2.655 1.00 0.00 O ATOM 787 CB LEU A 61 -6.922 -5.883 2.795 1.00 0.00 C ATOM 788 CG LEU A 61 -7.835 -5.559 3.984 1.00 0.00 C ATOM 789 CD1 LEU A 61 -9.299 -5.674 3.582 1.00 0.00 C ATOM 790 CD2 LEU A 61 -7.533 -6.479 5.160 1.00 0.00 C ATOM 0 H LEU A 61 -4.913 -4.125 1.926 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.246 -6.083 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.158 -5.199 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.153 -6.889 2.444 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.641 -4.532 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.931 -5.440 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.510 -4.974 2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.505 -6.690 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.191 -6.233 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.696 -7.515 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.495 -6.349 5.467 1.00 0.00 H new ATOM 802 N ALA A 62 -4.585 -6.458 0.883 1.00 0.00 N ATOM 803 CA ALA A 62 -3.877 -7.306 -0.076 1.00 0.00 C ATOM 804 C ALA A 62 -3.190 -6.477 -1.162 1.00 0.00 C ATOM 805 O ALA A 62 -3.698 -5.434 -1.577 1.00 0.00 O ATOM 806 CB ALA A 62 -4.836 -8.311 -0.702 1.00 0.00 C ATOM 0 H ALA A 62 -5.013 -5.627 0.475 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.101 -7.846 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.295 -8.935 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.266 -8.939 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.634 -7.779 -1.220 1.00 0.00 H new ATOM 812 N VAL A 63 -2.032 -6.957 -1.619 1.00 0.00 N ATOM 813 CA VAL A 63 -1.268 -6.276 -2.662 1.00 0.00 C ATOM 814 C VAL A 63 -0.828 -7.269 -3.733 1.00 0.00 C ATOM 815 O VAL A 63 -0.057 -8.190 -3.455 1.00 0.00 O ATOM 816 CB VAL A 63 -0.021 -5.568 -2.088 1.00 0.00 C ATOM 817 CG1 VAL A 63 0.640 -4.696 -3.148 1.00 0.00 C ATOM 818 CG2 VAL A 63 -0.389 -4.747 -0.860 1.00 0.00 C ATOM 0 H VAL A 63 -1.603 -7.818 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.923 -5.523 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 63 0.697 -6.330 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.516 -4.207 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.945 -5.316 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.067 -3.940 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.503 -4.256 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.128 -3.994 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.806 -5.403 -0.095 1.00 0.00 H new ATOM 828 N ASN A 64 -1.335 -7.081 -4.954 1.00 0.00 N ATOM 829 CA ASN A 64 -1.013 -7.964 -6.074 1.00 0.00 C ATOM 830 C ASN A 64 -1.367 -9.416 -5.735 1.00 0.00 C ATOM 831 O ASN A 64 -0.643 -10.346 -6.097 1.00 0.00 O ATOM 832 CB ASN A 64 0.471 -7.847 -6.451 1.00 0.00 C ATOM 833 CG ASN A 64 0.703 -8.068 -7.935 1.00 0.00 C ATOM 834 OD1 ASN A 64 0.291 -9.086 -8.494 1.00 0.00 O ATOM 835 ND2 ASN A 64 1.364 -7.116 -8.587 1.00 0.00 N ATOM 0 H ASN A 64 -1.973 -6.321 -5.191 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.609 -7.655 -6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.839 -6.860 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.048 -8.576 -5.882 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.546 -7.214 -9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.689 -6.288 -8.088 1.00 0.00 H new ATOM 842 N GLY A 65 -2.486 -9.600 -5.028 1.00 0.00 N ATOM 843 CA GLY A 65 -2.917 -10.936 -4.643 1.00 0.00 C ATOM 844 C GLY A 65 -2.218 -11.463 -3.392 1.00 0.00 C ATOM 845 O GLY A 65 -2.648 -12.467 -2.820 1.00 0.00 O ATOM 0 H GLY A 65 -3.100 -8.847 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.993 -10.927 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.731 -11.622 -5.470 1.00 0.00 H new ATOM 849 N VAL A 66 -1.143 -10.795 -2.961 1.00 0.00 N ATOM 850 CA VAL A 66 -0.400 -11.215 -1.776 1.00 0.00 C ATOM 851 C VAL A 66 -1.034 -10.646 -0.507 1.00 0.00 C ATOM 852 O VAL A 66 -1.278 -9.442 -0.411 1.00 0.00 O ATOM 853 CB VAL A 66 1.080 -10.780 -1.855 1.00 0.00 C ATOM 854 CG1 VAL A 66 1.883 -11.383 -0.710 1.00 0.00 C ATOM 855 CG2 VAL A 66 1.685 -11.171 -3.198 1.00 0.00 C ATOM 0 H VAL A 66 -0.771 -9.962 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.440 -12.304 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 66 1.119 -9.695 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.922 -11.063 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.469 -11.048 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.833 -12.471 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.728 -10.856 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.629 -12.253 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.132 -10.685 -4.002 1.00 0.00 H new ATOM 865 N ASN A 67 -1.305 -11.525 0.459 1.00 0.00 N ATOM 866 CA ASN A 67 -1.920 -11.119 1.721 1.00 0.00 C ATOM 867 C ASN A 67 -0.915 -10.400 2.618 1.00 0.00 C ATOM 868 O ASN A 67 0.193 -10.891 2.836 1.00 0.00 O ATOM 869 CB ASN A 67 -2.493 -12.337 2.455 1.00 0.00 C ATOM 870 CG ASN A 67 -3.947 -12.147 2.847 1.00 0.00 C ATOM 871 OD1 ASN A 67 -4.851 -12.631 2.168 1.00 0.00 O ATOM 872 ND2 ASN A 67 -4.181 -11.439 3.948 1.00 0.00 N ATOM 0 H ASN A 67 -1.108 -12.523 0.390 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.730 -10.428 1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.404 -13.217 1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.901 -12.530 3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.140 -11.280 4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.402 -11.055 4.483 1.00 0.00 H new ATOM 879 N LEU A 68 -1.313 -9.238 3.138 1.00 0.00 N ATOM 880 CA LEU A 68 -0.446 -8.453 4.017 1.00 0.00 C ATOM 881 C LEU A 68 -0.845 -8.607 5.489 1.00 0.00 C ATOM 882 O LEU A 68 -0.023 -8.391 6.381 1.00 0.00 O ATOM 883 CB LEU A 68 -0.470 -6.973 3.622 1.00 0.00 C ATOM 884 CG LEU A 68 0.867 -6.238 3.785 1.00 0.00 C ATOM 885 CD1 LEU A 68 1.032 -5.175 2.708 1.00 0.00 C ATOM 886 CD2 LEU A 68 0.976 -5.616 5.174 1.00 0.00 C ATOM 0 H LEU A 68 -2.228 -8.821 2.966 1.00 0.00 H new ATOM 0 HA LEU A 68 0.567 -8.837 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.786 -6.895 2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.223 -6.464 4.223 1.00 0.00 H new ATOM 0 HG LEU A 68 1.670 -6.966 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.987 -4.666 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.007 -5.646 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.221 -4.451 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.932 -5.100 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.163 -4.904 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.911 -6.399 5.929 1.00 0.00 H new ATOM 898 N ARG A 69 -2.104 -8.981 5.744 1.00 0.00 N ATOM 899 CA ARG A 69 -2.586 -9.158 7.116 1.00 0.00 C ATOM 900 C ARG A 69 -1.803 -10.254 7.845 1.00 0.00 C ATOM 901 O ARG A 69 -1.628 -10.189 9.061 1.00 0.00 O ATOM 902 CB ARG A 69 -4.082 -9.496 7.130 1.00 0.00 C ATOM 903 CG ARG A 69 -4.985 -8.275 7.228 1.00 0.00 C ATOM 904 CD ARG A 69 -6.360 -8.637 7.772 1.00 0.00 C ATOM 905 NE ARG A 69 -7.123 -7.454 8.175 1.00 0.00 N ATOM 906 CZ ARG A 69 -8.430 -7.464 8.454 1.00 0.00 C ATOM 907 NH1 ARG A 69 -9.128 -8.595 8.382 1.00 0.00 N ATOM 908 NH2 ARG A 69 -9.041 -6.338 8.807 1.00 0.00 N ATOM 0 H ARG A 69 -2.802 -9.165 5.023 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.430 -8.214 7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.329 -10.048 6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.288 -10.158 7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.522 -7.530 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.091 -7.820 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.917 -9.185 7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.247 -9.303 8.627 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.626 -6.566 8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.666 -9.463 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.125 -8.593 8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.513 -5.467 8.865 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.038 -6.344 9.020 1.00 0.00 H new ATOM 922 N ASP A 70 -1.334 -11.259 7.101 1.00 0.00 N ATOM 923 CA ASP A 70 -0.572 -12.359 7.693 1.00 0.00 C ATOM 924 C ASP A 70 0.943 -12.124 7.600 1.00 0.00 C ATOM 925 O ASP A 70 1.732 -13.023 7.899 1.00 0.00 O ATOM 926 CB ASP A 70 -0.945 -13.678 7.013 1.00 0.00 C ATOM 927 CG ASP A 70 -2.305 -14.186 7.454 1.00 0.00 C ATOM 928 OD1 ASP A 70 -3.321 -13.709 6.906 1.00 0.00 O ATOM 929 OD2 ASP A 70 -2.354 -15.056 8.350 1.00 0.00 O ATOM 0 H ASP A 70 -1.468 -11.333 6.093 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.830 -12.409 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.944 -13.540 5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.188 -14.428 7.240 1.00 0.00 H new ATOM 934 N THR A 71 1.349 -10.914 7.201 1.00 0.00 N ATOM 935 CA THR A 71 2.769 -10.578 7.091 1.00 0.00 C ATOM 936 C THR A 71 3.118 -9.406 8.007 1.00 0.00 C ATOM 937 O THR A 71 2.239 -8.646 8.416 1.00 0.00 O ATOM 938 CB THR A 71 3.137 -10.238 5.641 1.00 0.00 C ATOM 939 OG1 THR A 71 2.506 -9.040 5.225 1.00 0.00 O ATOM 940 CG2 THR A 71 2.759 -11.320 4.652 1.00 0.00 C ATOM 0 H THR A 71 0.716 -10.155 6.950 1.00 0.00 H new ATOM 0 HA THR A 71 3.345 -11.449 7.402 1.00 0.00 H new ATOM 0 HB THR A 71 4.222 -10.133 5.643 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.683 -8.908 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.049 -11.012 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.274 -12.245 4.910 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.682 -11.483 4.685 1.00 0.00 H new ATOM 948 N LYS A 72 4.405 -9.263 8.323 1.00 0.00 N ATOM 949 CA LYS A 72 4.872 -8.178 9.189 1.00 0.00 C ATOM 950 C LYS A 72 5.142 -6.912 8.375 1.00 0.00 C ATOM 951 O LYS A 72 5.308 -6.977 7.157 1.00 0.00 O ATOM 952 CB LYS A 72 6.143 -8.601 9.934 1.00 0.00 C ATOM 953 CG LYS A 72 5.873 -9.328 11.243 1.00 0.00 C ATOM 954 CD LYS A 72 5.333 -10.731 11.008 1.00 0.00 C ATOM 955 CE LYS A 72 6.445 -11.708 10.646 1.00 0.00 C ATOM 956 NZ LYS A 72 6.543 -11.936 9.175 1.00 0.00 N ATOM 0 H LYS A 72 5.143 -9.884 7.993 1.00 0.00 H new ATOM 0 HA LYS A 72 4.089 -7.963 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.735 -9.247 9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.745 -7.716 10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.794 -9.385 11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.158 -8.757 11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.820 -11.079 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.594 -10.707 10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.396 -11.325 11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.267 -12.659 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.732 -12.942 8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.648 -11.663 8.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.318 -11.362 8.786 1.00 0.00 H new ATOM 970 N HIS A 73 5.190 -5.761 9.055 1.00 0.00 N ATOM 971 CA HIS A 73 5.446 -4.481 8.384 1.00 0.00 C ATOM 972 C HIS A 73 6.730 -4.544 7.557 1.00 0.00 C ATOM 973 O HIS A 73 6.747 -4.136 6.395 1.00 0.00 O ATOM 974 CB HIS A 73 5.543 -3.343 9.408 1.00 0.00 C ATOM 975 CG HIS A 73 5.748 -1.989 8.793 1.00 0.00 C ATOM 976 ND1 HIS A 73 6.984 -1.383 8.701 1.00 0.00 N ATOM 977 CD2 HIS A 73 4.864 -1.119 8.247 1.00 0.00 C ATOM 978 CE1 HIS A 73 6.851 -0.201 8.127 1.00 0.00 C ATOM 979 NE2 HIS A 73 5.576 -0.016 7.841 1.00 0.00 N ATOM 0 H HIS A 73 5.056 -5.689 10.064 1.00 0.00 H new ATOM 0 HA HIS A 73 4.609 -4.284 7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.631 -3.326 10.005 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.367 -3.550 10.090 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.863 -1.785 9.026 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.798 -1.265 8.149 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.651 0.496 7.926 1.00 0.00 H new ATOM 988 N LYS A 74 7.800 -5.060 8.163 1.00 0.00 N ATOM 989 CA LYS A 74 9.089 -5.182 7.480 1.00 0.00 C ATOM 990 C LYS A 74 8.968 -6.087 6.253 1.00 0.00 C ATOM 991 O LYS A 74 9.498 -5.773 5.187 1.00 0.00 O ATOM 992 CB LYS A 74 10.155 -5.735 8.433 1.00 0.00 C ATOM 993 CG LYS A 74 10.230 -5.007 9.770 1.00 0.00 C ATOM 994 CD LYS A 74 11.647 -5.005 10.327 1.00 0.00 C ATOM 995 CE LYS A 74 11.673 -4.624 11.803 1.00 0.00 C ATOM 996 NZ LYS A 74 11.080 -3.278 12.048 1.00 0.00 N ATOM 0 H LYS A 74 7.800 -5.400 9.125 1.00 0.00 H new ATOM 0 HA LYS A 74 9.392 -4.187 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.951 -6.790 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.128 -5.678 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.886 -3.980 9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.558 -5.485 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.090 -5.993 10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.260 -4.305 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.126 -5.370 12.379 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.702 -4.636 12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.195 -3.025 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.563 -2.573 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.068 -3.296 11.810 1.00 0.00 H new ATOM 1010 N GLU A 75 8.254 -7.204 6.411 1.00 0.00 N ATOM 1011 CA GLU A 75 8.050 -8.150 5.316 1.00 0.00 C ATOM 1012 C GLU A 75 7.240 -7.513 4.186 1.00 0.00 C ATOM 1013 O GLU A 75 7.520 -7.741 3.008 1.00 0.00 O ATOM 1014 CB GLU A 75 7.329 -9.404 5.823 1.00 0.00 C ATOM 1015 CG GLU A 75 7.512 -10.616 4.925 1.00 0.00 C ATOM 1016 CD GLU A 75 8.830 -11.326 5.167 1.00 0.00 C ATOM 1017 OE1 GLU A 75 9.867 -10.839 4.668 1.00 0.00 O ATOM 1018 OE2 GLU A 75 8.825 -12.368 5.855 1.00 0.00 O ATOM 0 H GLU A 75 7.808 -7.474 7.288 1.00 0.00 H new ATOM 0 HA GLU A 75 9.029 -8.430 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.694 -9.644 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.265 -9.188 5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.691 -11.314 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.458 -10.303 3.882 1.00 0.00 H new ATOM 1025 N ALA A 76 6.236 -6.715 4.555 1.00 0.00 N ATOM 1026 CA ALA A 76 5.380 -6.049 3.574 1.00 0.00 C ATOM 1027 C ALA A 76 6.170 -5.062 2.718 1.00 0.00 C ATOM 1028 O ALA A 76 5.882 -4.897 1.532 1.00 0.00 O ATOM 1029 CB ALA A 76 4.228 -5.337 4.270 1.00 0.00 C ATOM 0 H ALA A 76 5.997 -6.515 5.526 1.00 0.00 H new ATOM 0 HA ALA A 76 4.977 -6.816 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.601 -4.847 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.633 -6.063 4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.624 -4.591 4.959 1.00 0.00 H new ATOM 1035 N VAL A 77 7.174 -4.417 3.315 1.00 0.00 N ATOM 1036 CA VAL A 77 8.005 -3.460 2.585 1.00 0.00 C ATOM 1037 C VAL A 77 8.742 -4.156 1.443 1.00 0.00 C ATOM 1038 O VAL A 77 8.812 -3.637 0.327 1.00 0.00 O ATOM 1039 CB VAL A 77 9.033 -2.768 3.510 1.00 0.00 C ATOM 1040 CG1 VAL A 77 9.792 -1.683 2.757 1.00 0.00 C ATOM 1041 CG2 VAL A 77 8.345 -2.187 4.740 1.00 0.00 C ATOM 0 H VAL A 77 7.430 -4.539 4.295 1.00 0.00 H new ATOM 0 HA VAL A 77 7.338 -2.697 2.183 1.00 0.00 H new ATOM 0 HB VAL A 77 9.751 -3.518 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.510 -1.209 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.321 -2.127 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.089 -0.935 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.086 -1.705 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.602 -1.453 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.855 -2.987 5.295 1.00 0.00 H new ATOM 1051 N THR A 78 9.282 -5.342 1.728 1.00 0.00 N ATOM 1052 CA THR A 78 10.005 -6.118 0.726 1.00 0.00 C ATOM 1053 C THR A 78 9.060 -6.611 -0.370 1.00 0.00 C ATOM 1054 O THR A 78 9.372 -6.503 -1.557 1.00 0.00 O ATOM 1055 CB THR A 78 10.720 -7.308 1.375 1.00 0.00 C ATOM 1056 OG1 THR A 78 11.235 -6.957 2.649 1.00 0.00 O ATOM 1057 CG2 THR A 78 11.871 -7.836 0.544 1.00 0.00 C ATOM 0 H THR A 78 9.231 -5.784 2.646 1.00 0.00 H new ATOM 0 HA THR A 78 10.751 -5.465 0.273 1.00 0.00 H new ATOM 0 HB THR A 78 9.963 -8.087 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.685 -7.732 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.335 -8.677 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.499 -8.165 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.609 -7.046 0.401 1.00 0.00 H new ATOM 1065 N ILE A 79 7.904 -7.146 0.034 1.00 0.00 N ATOM 1066 CA ILE A 79 6.917 -7.650 -0.924 1.00 0.00 C ATOM 1067 C ILE A 79 6.431 -6.532 -1.847 1.00 0.00 C ATOM 1068 O ILE A 79 6.325 -6.724 -3.059 1.00 0.00 O ATOM 1069 CB ILE A 79 5.694 -8.292 -0.223 1.00 0.00 C ATOM 1070 CG1 ILE A 79 6.136 -9.376 0.768 1.00 0.00 C ATOM 1071 CG2 ILE A 79 4.737 -8.878 -1.256 1.00 0.00 C ATOM 1072 CD1 ILE A 79 5.189 -9.553 1.937 1.00 0.00 C ATOM 0 H ILE A 79 7.630 -7.241 1.012 1.00 0.00 H new ATOM 0 HA ILE A 79 7.422 -8.419 -1.509 1.00 0.00 H new ATOM 0 HB ILE A 79 5.175 -7.512 0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.228 -10.324 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.126 -9.126 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.883 -9.325 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.390 -8.087 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.253 -9.641 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.566 -10.336 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.116 -8.617 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.203 -9.834 1.567 1.00 0.00 H new ATOM 1084 N LEU A 80 6.143 -5.363 -1.270 1.00 0.00 N ATOM 1085 CA LEU A 80 5.677 -4.218 -2.053 1.00 0.00 C ATOM 1086 C LEU A 80 6.711 -3.828 -3.108 1.00 0.00 C ATOM 1087 O LEU A 80 6.357 -3.455 -4.227 1.00 0.00 O ATOM 1088 CB LEU A 80 5.386 -3.020 -1.143 1.00 0.00 C ATOM 1089 CG LEU A 80 3.902 -2.693 -0.961 1.00 0.00 C ATOM 1090 CD1 LEU A 80 3.342 -3.415 0.256 1.00 0.00 C ATOM 1091 CD2 LEU A 80 3.701 -1.188 -0.840 1.00 0.00 C ATOM 0 H LEU A 80 6.224 -5.186 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 80 4.755 -4.510 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.823 -3.212 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.889 -2.143 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 80 3.359 -3.040 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.286 -3.171 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.453 -4.491 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.885 -3.101 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.640 -0.972 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.255 -0.815 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.064 -0.699 -1.744 1.00 0.00 H new ATOM 1103 N SER A 81 7.990 -3.921 -2.740 1.00 0.00 N ATOM 1104 CA SER A 81 9.082 -3.583 -3.650 1.00 0.00 C ATOM 1105 C SER A 81 9.188 -4.593 -4.798 1.00 0.00 C ATOM 1106 O SER A 81 9.637 -4.245 -5.892 1.00 0.00 O ATOM 1107 CB SER A 81 10.407 -3.516 -2.887 1.00 0.00 C ATOM 1108 OG SER A 81 10.388 -2.474 -1.924 1.00 0.00 O ATOM 0 H SER A 81 8.294 -4.228 -1.816 1.00 0.00 H new ATOM 0 HA SER A 81 8.865 -2.605 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.595 -4.469 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.226 -3.354 -3.587 1.00 0.00 H new ATOM 0 HG SER A 81 9.897 -2.772 -1.130 1.00 0.00 H new ATOM 1114 N GLN A 82 8.770 -5.841 -4.548 1.00 0.00 N ATOM 1115 CA GLN A 82 8.816 -6.889 -5.572 1.00 0.00 C ATOM 1116 C GLN A 82 7.874 -6.563 -6.736 1.00 0.00 C ATOM 1117 O GLN A 82 8.141 -6.935 -7.879 1.00 0.00 O ATOM 1118 CB GLN A 82 8.443 -8.253 -4.973 1.00 0.00 C ATOM 1119 CG GLN A 82 9.448 -8.782 -3.959 1.00 0.00 C ATOM 1120 CD GLN A 82 10.776 -9.167 -4.588 1.00 0.00 C ATOM 1121 OE1 GLN A 82 10.835 -9.567 -5.751 1.00 0.00 O ATOM 1122 NE2 GLN A 82 11.852 -9.051 -3.817 1.00 0.00 N ATOM 0 H GLN A 82 8.398 -6.147 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 82 9.837 -6.934 -5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.467 -8.173 -4.494 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.343 -8.978 -5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.620 -8.023 -3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.025 -9.651 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.759 -8.715 -2.858 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.771 -9.298 -4.184 1.00 0.00 H new ATOM 1131 N GLN A 83 6.775 -5.863 -6.436 1.00 0.00 N ATOM 1132 CA GLN A 83 5.798 -5.483 -7.457 1.00 0.00 C ATOM 1133 C GLN A 83 6.407 -4.494 -8.450 1.00 0.00 C ATOM 1134 O GLN A 83 6.750 -3.366 -8.086 1.00 0.00 O ATOM 1135 CB GLN A 83 4.547 -4.867 -6.813 1.00 0.00 C ATOM 1136 CG GLN A 83 4.047 -5.604 -5.575 1.00 0.00 C ATOM 1137 CD GLN A 83 3.890 -7.100 -5.792 1.00 0.00 C ATOM 1138 OE1 GLN A 83 3.734 -7.565 -6.921 1.00 0.00 O ATOM 1139 NE2 GLN A 83 3.926 -7.864 -4.706 1.00 0.00 N ATOM 0 H GLN A 83 6.541 -5.549 -5.494 1.00 0.00 H new ATOM 0 HA GLN A 83 5.509 -6.387 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.764 -3.834 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.747 -4.842 -7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.742 -5.434 -4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.087 -5.184 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.057 -7.439 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.822 -8.875 -4.790 1.00 0.00 H new ATOM 1148 N ARG A 84 6.543 -4.925 -9.705 1.00 0.00 N ATOM 1149 CA ARG A 84 7.112 -4.081 -10.755 1.00 0.00 C ATOM 1150 C ARG A 84 6.070 -3.753 -11.822 1.00 0.00 C ATOM 1151 O ARG A 84 5.139 -4.527 -12.055 1.00 0.00 O ATOM 1152 CB ARG A 84 8.314 -4.769 -11.405 1.00 0.00 C ATOM 1153 CG ARG A 84 9.526 -4.884 -10.493 1.00 0.00 C ATOM 1154 CD ARG A 84 10.178 -6.253 -10.609 1.00 0.00 C ATOM 1155 NE ARG A 84 11.592 -6.226 -10.230 1.00 0.00 N ATOM 1156 CZ ARG A 84 12.454 -7.212 -10.492 1.00 0.00 C ATOM 1157 NH1 ARG A 84 12.050 -8.317 -11.115 1.00 0.00 N ATOM 1158 NH2 ARG A 84 13.726 -7.095 -10.125 1.00 0.00 N ATOM 0 H ARG A 84 6.266 -5.855 -10.019 1.00 0.00 H new ATOM 0 HA ARG A 84 7.439 -3.151 -10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.018 -5.767 -11.727 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.597 -4.215 -12.300 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.251 -4.111 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.224 -4.709 -9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.647 -6.962 -9.974 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.085 -6.612 -11.634 1.00 0.00 H new ATOM 0 HE ARG A 84 11.940 -5.404 -9.736 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.075 -8.416 -11.397 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.716 -9.065 -11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.043 -6.253 -9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.386 -7.847 -10.324 1.00 0.00 H new ATOM 1172 N GLY A 85 6.243 -2.598 -12.468 1.00 0.00 N ATOM 1173 CA GLY A 85 5.321 -2.170 -13.510 1.00 0.00 C ATOM 1174 C GLY A 85 3.908 -1.976 -12.993 1.00 0.00 C ATOM 1175 O GLY A 85 3.609 -0.966 -12.351 1.00 0.00 O ATOM 0 H GLY A 85 7.009 -1.949 -12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.677 -1.236 -13.944 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.313 -2.910 -14.310 1.00 0.00 H new ATOM 1179 N GLU A 86 3.040 -2.951 -13.266 1.00 0.00 N ATOM 1180 CA GLU A 86 1.654 -2.891 -12.816 1.00 0.00 C ATOM 1181 C GLU A 86 1.523 -3.488 -11.420 1.00 0.00 C ATOM 1182 O GLU A 86 1.879 -4.647 -11.196 1.00 0.00 O ATOM 1183 CB GLU A 86 0.737 -3.635 -13.792 1.00 0.00 C ATOM 1184 CG GLU A 86 -0.744 -3.468 -13.481 1.00 0.00 C ATOM 1185 CD GLU A 86 -1.635 -4.247 -14.430 1.00 0.00 C ATOM 1186 OE1 GLU A 86 -1.808 -3.801 -15.582 1.00 0.00 O ATOM 1187 OE2 GLU A 86 -2.160 -5.304 -14.018 1.00 0.00 O ATOM 0 H GLU A 86 3.275 -3.790 -13.796 1.00 0.00 H new ATOM 0 HA GLU A 86 1.351 -1.844 -12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.930 -3.278 -14.804 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.986 -4.696 -13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.935 -3.795 -12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.004 -2.411 -13.531 1.00 0.00 H new ATOM 1194 N ILE A 87 1.016 -2.692 -10.485 1.00 0.00 N ATOM 1195 CA ILE A 87 0.844 -3.143 -9.111 1.00 0.00 C ATOM 1196 C ILE A 87 -0.603 -2.968 -8.653 1.00 0.00 C ATOM 1197 O ILE A 87 -1.159 -1.870 -8.729 1.00 0.00 O ATOM 1198 CB ILE A 87 1.774 -2.378 -8.146 1.00 0.00 C ATOM 1199 CG1 ILE A 87 3.200 -2.321 -8.707 1.00 0.00 C ATOM 1200 CG2 ILE A 87 1.765 -3.034 -6.771 1.00 0.00 C ATOM 1201 CD1 ILE A 87 4.164 -1.543 -7.838 1.00 0.00 C ATOM 0 H ILE A 87 0.717 -1.732 -10.655 1.00 0.00 H new ATOM 0 HA ILE A 87 1.104 -4.201 -9.090 1.00 0.00 H new ATOM 0 HB ILE A 87 1.405 -1.357 -8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.574 -3.338 -8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.173 -1.870 -9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.425 -2.484 -6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.751 -3.025 -6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.112 -4.064 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.152 -1.546 -8.298 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.814 -0.516 -7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.221 -2.006 -6.853 1.00 0.00 H new ATOM 1213 N GLU A 88 -1.202 -4.054 -8.170 1.00 0.00 N ATOM 1214 CA GLU A 88 -2.581 -4.022 -7.690 1.00 0.00 C ATOM 1215 C GLU A 88 -2.613 -3.772 -6.185 1.00 0.00 C ATOM 1216 O GLU A 88 -2.004 -4.514 -5.412 1.00 0.00 O ATOM 1217 CB GLU A 88 -3.290 -5.339 -8.017 1.00 0.00 C ATOM 1218 CG GLU A 88 -3.942 -5.356 -9.392 1.00 0.00 C ATOM 1219 CD GLU A 88 -3.690 -6.650 -10.142 1.00 0.00 C ATOM 1220 OE1 GLU A 88 -4.357 -7.658 -9.826 1.00 0.00 O ATOM 1221 OE2 GLU A 88 -2.827 -6.654 -11.044 1.00 0.00 O ATOM 0 H GLU A 88 -0.754 -4.968 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.103 -3.208 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.569 -6.155 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.052 -5.529 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.016 -5.207 -9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.563 -4.520 -9.980 1.00 0.00 H new ATOM 1228 N PHE A 89 -3.315 -2.718 -5.775 1.00 0.00 N ATOM 1229 CA PHE A 89 -3.412 -2.368 -4.361 1.00 0.00 C ATOM 1230 C PHE A 89 -4.852 -2.445 -3.863 1.00 0.00 C ATOM 1231 O PHE A 89 -5.765 -1.886 -4.475 1.00 0.00 O ATOM 1232 CB PHE A 89 -2.854 -0.962 -4.127 1.00 0.00 C ATOM 1233 CG PHE A 89 -1.855 -0.898 -3.008 1.00 0.00 C ATOM 1234 CD1 PHE A 89 -0.514 -1.152 -3.244 1.00 0.00 C ATOM 1235 CD2 PHE A 89 -2.259 -0.588 -1.719 1.00 0.00 C ATOM 1236 CE1 PHE A 89 0.407 -1.098 -2.215 1.00 0.00 C ATOM 1237 CE2 PHE A 89 -1.343 -0.532 -0.687 1.00 0.00 C ATOM 1238 CZ PHE A 89 -0.008 -0.788 -0.934 1.00 0.00 C ATOM 0 H PHE A 89 -3.824 -2.093 -6.401 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.822 -3.091 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.384 -0.608 -5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.678 -0.283 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.184 -1.395 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.301 -0.388 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.450 -1.298 -2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.670 -0.288 0.313 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.709 -0.746 -0.128 1.00 0.00 H new ATOM 1248 N GLU A 90 -5.044 -3.138 -2.741 1.00 0.00 N ATOM 1249 CA GLU A 90 -6.366 -3.288 -2.146 1.00 0.00 C ATOM 1250 C GLU A 90 -6.380 -2.734 -0.723 1.00 0.00 C ATOM 1251 O GLU A 90 -5.697 -3.256 0.164 1.00 0.00 O ATOM 1252 CB GLU A 90 -6.781 -4.762 -2.145 1.00 0.00 C ATOM 1253 CG GLU A 90 -7.113 -5.301 -3.529 1.00 0.00 C ATOM 1254 CD GLU A 90 -5.957 -6.061 -4.154 1.00 0.00 C ATOM 1255 OE1 GLU A 90 -5.829 -7.273 -3.884 1.00 0.00 O ATOM 1256 OE2 GLU A 90 -5.181 -5.444 -4.914 1.00 0.00 O ATOM 0 H GLU A 90 -4.297 -3.605 -2.227 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.080 -2.722 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.975 -5.358 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.649 -4.886 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.980 -5.958 -3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.392 -4.472 -4.180 1.00 0.00 H new ATOM 1263 N VAL A 91 -7.161 -1.671 -0.516 1.00 0.00 N ATOM 1264 CA VAL A 91 -7.269 -1.032 0.796 1.00 0.00 C ATOM 1265 C VAL A 91 -8.722 -0.676 1.125 1.00 0.00 C ATOM 1266 O VAL A 91 -9.606 -0.778 0.270 1.00 0.00 O ATOM 1267 CB VAL A 91 -6.407 0.250 0.875 1.00 0.00 C ATOM 1268 CG1 VAL A 91 -4.930 -0.097 0.998 1.00 0.00 C ATOM 1269 CG2 VAL A 91 -6.652 1.140 -0.334 1.00 0.00 C ATOM 0 H VAL A 91 -7.729 -1.235 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.902 -1.754 1.525 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.701 0.801 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.344 0.820 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.768 -0.684 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.619 -0.676 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.036 2.036 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.393 0.598 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.703 1.425 -0.369 1.00 0.00 H new ATOM 1279 N VAL A 92 -8.960 -0.261 2.371 1.00 0.00 N ATOM 1280 CA VAL A 92 -10.302 0.111 2.823 1.00 0.00 C ATOM 1281 C VAL A 92 -10.289 1.486 3.496 1.00 0.00 C ATOM 1282 O VAL A 92 -9.425 1.766 4.330 1.00 0.00 O ATOM 1283 CB VAL A 92 -10.867 -0.936 3.812 1.00 0.00 C ATOM 1284 CG1 VAL A 92 -12.308 -0.618 4.188 1.00 0.00 C ATOM 1285 CG2 VAL A 92 -10.763 -2.338 3.227 1.00 0.00 C ATOM 0 H VAL A 92 -8.238 -0.174 3.087 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.943 0.148 1.942 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.267 -0.895 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.677 -1.371 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.353 0.364 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.927 -0.619 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.166 -3.060 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.331 -2.388 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.718 -2.572 3.026 1.00 0.00 H new ATOM 1295 N TYR A 93 -11.249 2.338 3.128 1.00 0.00 N ATOM 1296 CA TYR A 93 -11.347 3.686 3.697 1.00 0.00 C ATOM 1297 C TYR A 93 -11.678 3.625 5.190 1.00 0.00 C ATOM 1298 O TYR A 93 -12.682 3.029 5.588 1.00 0.00 O ATOM 1299 CB TYR A 93 -12.416 4.504 2.958 1.00 0.00 C ATOM 1300 CG TYR A 93 -12.055 5.965 2.756 1.00 0.00 C ATOM 1301 CD1 TYR A 93 -11.451 6.708 3.767 1.00 0.00 C ATOM 1302 CD2 TYR A 93 -12.332 6.604 1.553 1.00 0.00 C ATOM 1303 CE1 TYR A 93 -11.127 8.038 3.579 1.00 0.00 C ATOM 1304 CE2 TYR A 93 -12.012 7.935 1.359 1.00 0.00 C ATOM 1305 CZ TYR A 93 -11.414 8.649 2.375 1.00 0.00 C ATOM 1306 OH TYR A 93 -11.092 9.976 2.180 1.00 0.00 O ATOM 0 H TYR A 93 -11.969 2.119 2.439 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.380 4.174 3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.597 4.048 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.351 4.446 3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.232 6.237 4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.806 6.051 0.756 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.651 8.597 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.230 8.413 0.415 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.361 10.249 1.278 1.00 0.00 H new ATOM 1316 N VAL A 94 -10.828 4.243 6.010 1.00 0.00 N ATOM 1317 CA VAL A 94 -11.025 4.260 7.458 1.00 0.00 C ATOM 1318 C VAL A 94 -11.193 5.690 7.970 1.00 0.00 C ATOM 1319 O VAL A 94 -10.419 6.581 7.615 1.00 0.00 O ATOM 1320 CB VAL A 94 -9.838 3.600 8.193 1.00 0.00 C ATOM 1321 CG1 VAL A 94 -10.148 3.427 9.673 1.00 0.00 C ATOM 1322 CG2 VAL A 94 -9.488 2.262 7.555 1.00 0.00 C ATOM 0 H VAL A 94 -9.995 4.739 5.694 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.932 3.692 7.664 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.973 4.258 8.103 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.298 2.960 10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.340 4.402 10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.028 2.795 9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.649 1.813 8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.350 1.597 7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.214 2.417 6.511 1.00 0.00 H new ATOM 1332 N ALA A 95 -12.209 5.900 8.808 1.00 0.00 N ATOM 1333 CA ALA A 95 -12.479 7.220 9.371 1.00 0.00 C ATOM 1334 C ALA A 95 -13.121 7.111 10.752 1.00 0.00 C ATOM 1335 O ALA A 95 -12.718 7.877 11.651 1.00 0.00 O ATOM 1336 CB ALA A 95 -13.372 8.020 8.433 1.00 0.00 C ATOM 0 H ALA A 95 -12.857 5.173 9.111 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.528 7.740 9.484 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.566 9.002 8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.875 8.138 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.316 7.493 8.292 1.00 0.00 H new