USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 616 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 72 THR OG1 : rot -170:sc= 0.0494 USER MOD Set 1.2: A 74 ASN : amide:sc= 0 X(o=0.049,f=0.049) USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 2.62 (180deg=2.39) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -162:sc= -0.118 (180deg=-0.501) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.715 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.643 X(o=-0.64,f=-0.15) USER MOD Single : A 55 GLN : amide:sc= 0.304 X(o=0.3,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.55) USER MOD Single : A 67 SER OG : rot 41:sc= 0.238 USER MOD Single : A 73 GLN : amide:sc= -1.76 K(o=-1.8,f=0.033) USER MOD Single : A 78 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 82 ASN : amide:sc= 0.765 K(o=0.77,f=-0.11) USER MOD Single : A 83 THR OG1 : rot 80:sc= -0.17 USER MOD Single : A 84 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.16) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 7.868 -10.946 -1.617 1.00 0.00 N ATOM 45 CA GLU A 4 6.958 -11.525 -2.577 1.00 0.00 C ATOM 46 C GLU A 4 5.878 -10.525 -2.888 1.00 0.00 C ATOM 47 O GLU A 4 5.091 -10.205 -2.024 1.00 0.00 O ATOM 48 CB GLU A 4 6.343 -12.799 -2.018 1.00 0.00 C ATOM 49 CG GLU A 4 5.371 -13.482 -2.959 1.00 0.00 C ATOM 50 CD GLU A 4 4.799 -14.736 -2.376 1.00 0.00 C ATOM 51 OE1 GLU A 4 3.863 -14.653 -1.560 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.275 -15.836 -2.733 1.00 0.00 O ATOM 0 HA GLU A 4 7.501 -11.777 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.143 -13.497 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.826 -12.562 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.561 -12.795 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.879 -13.718 -3.894 1.00 0.00 H new ATOM 59 N LEU A 5 5.873 -10.006 -4.096 1.00 0.00 N ATOM 60 CA LEU A 5 4.889 -9.028 -4.501 1.00 0.00 C ATOM 61 C LEU A 5 3.685 -9.725 -5.093 1.00 0.00 C ATOM 62 O LEU A 5 3.831 -10.675 -5.873 1.00 0.00 O ATOM 63 CB LEU A 5 5.474 -8.032 -5.519 1.00 0.00 C ATOM 64 CG LEU A 5 6.698 -7.204 -5.080 1.00 0.00 C ATOM 65 CD1 LEU A 5 6.494 -6.607 -3.721 1.00 0.00 C ATOM 66 CD2 LEU A 5 7.996 -7.989 -5.136 1.00 0.00 C ATOM 0 H LEU A 5 6.548 -10.249 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 5 4.586 -8.466 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.748 -8.589 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.683 -7.338 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 5 6.791 -6.394 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.375 -6.030 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.622 -5.953 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.336 -7.403 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.820 -7.352 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.927 -8.853 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.174 -8.326 -6.157 1.00 0.00 H new ATOM 78 N PHE A 6 2.518 -9.283 -4.717 1.00 0.00 N ATOM 79 CA PHE A 6 1.290 -9.864 -5.173 1.00 0.00 C ATOM 80 C PHE A 6 0.178 -8.817 -5.331 1.00 0.00 C ATOM 81 O PHE A 6 0.067 -7.888 -4.540 1.00 0.00 O ATOM 82 CB PHE A 6 0.845 -11.000 -4.238 1.00 0.00 C ATOM 83 CG PHE A 6 0.890 -10.678 -2.781 1.00 0.00 C ATOM 84 CD1 PHE A 6 -0.172 -10.043 -2.181 1.00 0.00 C ATOM 85 CD2 PHE A 6 1.991 -11.003 -2.019 1.00 0.00 C ATOM 86 CE1 PHE A 6 -0.141 -9.730 -0.839 1.00 0.00 C ATOM 87 CE2 PHE A 6 2.034 -10.698 -0.683 1.00 0.00 C ATOM 88 CZ PHE A 6 0.966 -10.059 -0.086 1.00 0.00 C ATOM 0 H PHE A 6 2.393 -8.499 -4.077 1.00 0.00 H new ATOM 0 HA PHE A 6 1.478 -10.282 -6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.174 -11.286 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.477 -11.869 -4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.041 -9.786 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.830 -11.504 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.980 -9.229 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.904 -10.958 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.997 -9.818 0.966 1.00 0.00 H new ATOM 98 N PRO A 7 -0.617 -8.951 -6.377 1.00 0.00 N ATOM 99 CA PRO A 7 -1.750 -8.073 -6.638 1.00 0.00 C ATOM 100 C PRO A 7 -2.995 -8.448 -5.837 1.00 0.00 C ATOM 101 O PRO A 7 -3.459 -9.607 -5.840 1.00 0.00 O ATOM 102 CB PRO A 7 -2.023 -8.299 -8.103 1.00 0.00 C ATOM 103 CG PRO A 7 -1.598 -9.710 -8.348 1.00 0.00 C ATOM 104 CD PRO A 7 -0.460 -9.971 -7.414 1.00 0.00 C ATOM 0 HA PRO A 7 -1.524 -7.043 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.078 -8.156 -8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.461 -7.601 -8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.420 -10.402 -8.163 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.291 -9.850 -9.384 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.508 -10.977 -6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.501 -9.882 -7.920 1.00 0.00 H new ATOM 112 N VAL A 8 -3.516 -7.494 -5.143 1.00 0.00 N ATOM 113 CA VAL A 8 -4.729 -7.666 -4.417 1.00 0.00 C ATOM 114 C VAL A 8 -5.732 -6.670 -4.920 1.00 0.00 C ATOM 115 O VAL A 8 -5.620 -5.490 -4.618 1.00 0.00 O ATOM 116 CB VAL A 8 -4.539 -7.430 -2.896 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.798 -7.771 -2.114 1.00 0.00 C ATOM 118 CG2 VAL A 8 -3.341 -8.175 -2.368 1.00 0.00 C ATOM 0 H VAL A 8 -3.108 -6.563 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.064 -8.693 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.350 -6.366 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.626 -7.593 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.621 -7.145 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.050 -8.820 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.238 -7.987 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.473 -9.244 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.444 -7.834 -2.885 1.00 0.00 H new ATOM 128 N GLU A 9 -6.664 -7.101 -5.723 1.00 0.00 N ATOM 129 CA GLU A 9 -7.698 -6.205 -6.129 1.00 0.00 C ATOM 130 C GLU A 9 -8.752 -6.219 -5.044 1.00 0.00 C ATOM 131 O GLU A 9 -9.496 -7.201 -4.888 1.00 0.00 O ATOM 132 CB GLU A 9 -8.302 -6.569 -7.481 1.00 0.00 C ATOM 133 CG GLU A 9 -9.333 -5.556 -7.955 1.00 0.00 C ATOM 134 CD GLU A 9 -10.063 -6.003 -9.178 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.971 -6.852 -9.047 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.784 -5.496 -10.281 1.00 0.00 O ATOM 0 H GLU A 9 -6.726 -8.047 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.278 -5.208 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.506 -6.645 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.769 -7.552 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.051 -5.374 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.836 -4.608 -8.160 1.00 0.00 H new ATOM 143 N LEU A 10 -8.793 -5.170 -4.286 1.00 0.00 N ATOM 144 CA LEU A 10 -9.652 -5.086 -3.153 1.00 0.00 C ATOM 145 C LEU A 10 -10.957 -4.507 -3.616 1.00 0.00 C ATOM 146 O LEU A 10 -10.994 -3.826 -4.633 1.00 0.00 O ATOM 147 CB LEU A 10 -9.022 -4.142 -2.143 1.00 0.00 C ATOM 148 CG LEU A 10 -9.476 -4.254 -0.699 1.00 0.00 C ATOM 149 CD1 LEU A 10 -8.967 -5.531 -0.099 1.00 0.00 C ATOM 150 CD2 LEU A 10 -9.005 -3.070 0.105 1.00 0.00 C ATOM 0 H LEU A 10 -8.223 -4.338 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.805 -6.065 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.943 -4.294 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.208 -3.121 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.566 -4.263 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.297 -5.603 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.356 -6.379 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.878 -5.541 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.343 -3.173 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.916 -3.025 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.415 -2.154 -0.321 1.00 0.00 H new ATOM 162 N GLU A 11 -12.005 -4.789 -2.918 1.00 0.00 N ATOM 163 CA GLU A 11 -13.278 -4.220 -3.222 1.00 0.00 C ATOM 164 C GLU A 11 -13.755 -3.441 -2.024 1.00 0.00 C ATOM 165 O GLU A 11 -14.282 -4.007 -1.063 1.00 0.00 O ATOM 166 CB GLU A 11 -14.270 -5.296 -3.654 1.00 0.00 C ATOM 167 CG GLU A 11 -15.650 -4.783 -4.007 1.00 0.00 C ATOM 168 CD GLU A 11 -16.509 -5.848 -4.633 1.00 0.00 C ATOM 169 OE1 GLU A 11 -17.003 -6.740 -3.913 1.00 0.00 O ATOM 170 OE2 GLU A 11 -16.710 -5.815 -5.874 1.00 0.00 O ATOM 0 H GLU A 11 -12.005 -5.422 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.191 -3.537 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.861 -5.821 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.364 -6.027 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.137 -4.408 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.558 -3.942 -4.694 1.00 0.00 H new ATOM 177 N LYS A 12 -13.448 -2.174 -2.038 1.00 0.00 N ATOM 178 CA LYS A 12 -13.802 -1.287 -0.986 1.00 0.00 C ATOM 179 C LYS A 12 -15.137 -0.616 -1.135 1.00 0.00 C ATOM 180 O LYS A 12 -15.847 -0.748 -2.142 1.00 0.00 O ATOM 181 CB LYS A 12 -12.717 -0.242 -0.713 1.00 0.00 C ATOM 182 CG LYS A 12 -11.624 -0.736 0.205 1.00 0.00 C ATOM 183 CD LYS A 12 -12.171 -1.190 1.567 1.00 0.00 C ATOM 184 CE LYS A 12 -11.913 -0.251 2.750 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.635 1.031 2.648 1.00 0.00 N ATOM 0 H LYS A 12 -12.935 -1.729 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.892 -1.946 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.274 0.066 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.178 0.643 -0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.101 -1.566 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.892 0.058 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.247 -1.333 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.739 -2.163 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.206 -0.752 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.844 -0.053 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.170 1.740 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.627 1.357 1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.618 0.902 2.961 1.00 0.00 H new ATOM 199 N ASP A 13 -15.431 0.119 -0.099 1.00 0.00 N ATOM 200 CA ASP A 13 -16.628 0.876 0.084 1.00 0.00 C ATOM 201 C ASP A 13 -16.506 2.125 -0.755 1.00 0.00 C ATOM 202 O ASP A 13 -15.402 2.472 -1.191 1.00 0.00 O ATOM 203 CB ASP A 13 -16.709 1.305 1.561 1.00 0.00 C ATOM 204 CG ASP A 13 -16.325 0.215 2.540 1.00 0.00 C ATOM 205 OD1 ASP A 13 -15.092 0.019 2.775 1.00 0.00 O ATOM 206 OD2 ASP A 13 -17.220 -0.450 3.100 1.00 0.00 O ATOM 0 H ASP A 13 -14.793 0.208 0.692 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.506 0.293 -0.195 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.057 2.164 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.725 1.633 1.778 1.00 0.00 H new ATOM 211 N GLU A 14 -17.588 2.848 -0.919 1.00 0.00 N ATOM 212 CA GLU A 14 -17.557 4.062 -1.724 1.00 0.00 C ATOM 213 C GLU A 14 -16.842 5.194 -0.981 1.00 0.00 C ATOM 214 O GLU A 14 -16.571 6.259 -1.545 1.00 0.00 O ATOM 215 CB GLU A 14 -18.947 4.495 -2.140 1.00 0.00 C ATOM 216 CG GLU A 14 -19.856 4.809 -0.986 1.00 0.00 C ATOM 217 CD GLU A 14 -21.134 5.410 -1.439 1.00 0.00 C ATOM 218 OE1 GLU A 14 -22.052 4.657 -1.814 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.248 6.664 -1.436 1.00 0.00 O ATOM 0 H GLU A 14 -18.497 2.626 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 14 -16.996 3.834 -2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.867 5.376 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.398 3.706 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.062 3.896 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.354 5.495 -0.304 1.00 0.00 H new ATOM 226 N ASP A 15 -16.578 4.971 0.295 1.00 0.00 N ATOM 227 CA ASP A 15 -15.769 5.882 1.102 1.00 0.00 C ATOM 228 C ASP A 15 -14.369 5.924 0.537 1.00 0.00 C ATOM 229 O ASP A 15 -13.702 6.948 0.556 1.00 0.00 O ATOM 230 CB ASP A 15 -15.695 5.394 2.550 1.00 0.00 C ATOM 231 CG ASP A 15 -14.832 6.288 3.431 1.00 0.00 C ATOM 232 OD1 ASP A 15 -15.338 7.311 3.932 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.635 5.980 3.646 1.00 0.00 O ATOM 0 H ASP A 15 -16.916 4.155 0.805 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.225 6.872 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.702 5.346 2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.295 4.380 2.567 1.00 0.00 H new ATOM 238 N GLY A 16 -13.955 4.810 0.013 1.00 0.00 N ATOM 239 CA GLY A 16 -12.658 4.697 -0.535 1.00 0.00 C ATOM 240 C GLY A 16 -11.890 3.685 0.229 1.00 0.00 C ATOM 241 O GLY A 16 -12.402 2.603 0.516 1.00 0.00 O ATOM 0 H GLY A 16 -14.515 3.959 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.718 4.409 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.150 5.661 -0.498 1.00 0.00 H new ATOM 245 N LEU A 17 -10.715 4.028 0.620 1.00 0.00 N ATOM 246 CA LEU A 17 -9.868 3.118 1.323 1.00 0.00 C ATOM 247 C LEU A 17 -9.851 3.453 2.785 1.00 0.00 C ATOM 248 O LEU A 17 -10.258 2.634 3.613 1.00 0.00 O ATOM 249 CB LEU A 17 -8.476 3.186 0.750 1.00 0.00 C ATOM 250 CG LEU A 17 -7.478 2.235 1.257 1.00 0.00 C ATOM 251 CD1 LEU A 17 -8.051 0.813 1.324 1.00 0.00 C ATOM 252 CD2 LEU A 17 -6.309 2.262 0.335 1.00 0.00 C ATOM 0 H LEU A 17 -10.308 4.950 0.463 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.251 2.104 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.551 3.049 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.094 4.193 0.917 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.184 2.521 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.289 0.131 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.914 0.799 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.357 0.497 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.551 1.563 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.629 1.974 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.891 3.268 0.307 1.00 0.00 H new ATOM 264 N GLY A 18 -9.389 4.643 3.088 1.00 0.00 N ATOM 265 CA GLY A 18 -9.318 5.095 4.442 1.00 0.00 C ATOM 266 C GLY A 18 -8.244 4.395 5.238 1.00 0.00 C ATOM 267 O GLY A 18 -8.456 4.060 6.401 1.00 0.00 O ATOM 0 H GLY A 18 -9.055 5.317 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.130 6.169 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.283 4.936 4.924 1.00 0.00 H new ATOM 271 N ILE A 19 -7.103 4.115 4.626 1.00 0.00 N ATOM 272 CA ILE A 19 -6.025 3.514 5.390 1.00 0.00 C ATOM 273 C ILE A 19 -4.899 4.502 5.632 1.00 0.00 C ATOM 274 O ILE A 19 -4.836 5.555 5.006 1.00 0.00 O ATOM 275 CB ILE A 19 -5.462 2.210 4.784 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.672 2.478 3.495 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.587 1.222 4.551 1.00 0.00 C ATOM 278 CD1 ILE A 19 -4.147 1.225 2.830 1.00 0.00 C ATOM 0 H ILE A 19 -6.904 4.287 3.640 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.481 3.238 6.341 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.760 1.775 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.312 3.011 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.833 3.136 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.183 0.304 4.123 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.075 0.996 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.314 1.654 3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.600 1.494 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.480 0.702 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.982 0.575 2.568 1.00 0.00 H new ATOM 290 N SER A 20 -4.015 4.143 6.510 1.00 0.00 N ATOM 291 CA SER A 20 -2.921 4.983 6.896 1.00 0.00 C ATOM 292 C SER A 20 -1.609 4.301 6.511 1.00 0.00 C ATOM 293 O SER A 20 -1.520 3.068 6.520 1.00 0.00 O ATOM 294 CB SER A 20 -3.005 5.203 8.410 1.00 0.00 C ATOM 295 OG SER A 20 -4.292 5.712 8.777 1.00 0.00 O ATOM 0 H SER A 20 -4.033 3.242 6.988 1.00 0.00 H new ATOM 0 HA SER A 20 -2.964 5.947 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.818 4.263 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.229 5.901 8.725 1.00 0.00 H new ATOM 0 HG SER A 20 -4.327 5.844 9.747 1.00 0.00 H new ATOM 301 N ILE A 21 -0.612 5.082 6.189 1.00 0.00 N ATOM 302 CA ILE A 21 0.673 4.566 5.746 1.00 0.00 C ATOM 303 C ILE A 21 1.774 5.133 6.605 1.00 0.00 C ATOM 304 O ILE A 21 1.545 6.079 7.378 1.00 0.00 O ATOM 305 CB ILE A 21 0.931 4.922 4.252 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.897 6.447 4.002 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.049 4.199 3.343 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.235 7.160 4.161 1.00 0.00 C ATOM 0 H ILE A 21 -0.660 6.100 6.224 1.00 0.00 H new ATOM 0 HA ILE A 21 0.659 3.480 5.842 1.00 0.00 H new ATOM 0 HB ILE A 21 1.938 4.581 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.526 6.626 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.180 6.896 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.153 4.465 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.063 3.122 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.067 4.490 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.106 8.224 3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.603 7.020 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.954 6.746 3.454 1.00 0.00 H new ATOM 320 N ILE A 22 2.930 4.562 6.510 1.00 0.00 N ATOM 321 CA ILE A 22 4.055 5.079 7.210 1.00 0.00 C ATOM 322 C ILE A 22 5.240 5.229 6.277 1.00 0.00 C ATOM 323 O ILE A 22 5.550 4.319 5.491 1.00 0.00 O ATOM 324 CB ILE A 22 4.413 4.257 8.478 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.634 4.858 9.191 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.616 2.785 8.161 1.00 0.00 C ATOM 327 CD1 ILE A 22 6.024 4.156 10.464 1.00 0.00 C ATOM 0 H ILE A 22 3.119 3.731 5.949 1.00 0.00 H new ATOM 0 HA ILE A 22 3.779 6.069 7.573 1.00 0.00 H new ATOM 0 HB ILE A 22 3.565 4.316 9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.483 4.841 8.507 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.428 5.904 9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.865 2.247 9.076 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.700 2.375 7.736 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.429 2.676 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.894 4.647 10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.195 4.196 11.170 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.266 3.116 10.246 1.00 0.00 H new ATOM 339 N GLY A 23 5.870 6.378 6.331 1.00 0.00 N ATOM 340 CA GLY A 23 6.980 6.648 5.481 1.00 0.00 C ATOM 341 C GLY A 23 8.284 6.234 6.089 1.00 0.00 C ATOM 342 O GLY A 23 8.863 6.965 6.878 1.00 0.00 O ATOM 0 H GLY A 23 5.622 7.139 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.843 6.126 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.010 7.714 5.256 1.00 0.00 H new ATOM 346 N MET A 24 8.731 5.058 5.747 1.00 0.00 N ATOM 347 CA MET A 24 10.017 4.556 6.204 1.00 0.00 C ATOM 348 C MET A 24 10.949 4.539 5.020 1.00 0.00 C ATOM 349 O MET A 24 10.525 4.810 3.890 1.00 0.00 O ATOM 350 CB MET A 24 9.899 3.125 6.783 1.00 0.00 C ATOM 351 CG MET A 24 9.001 2.985 8.010 1.00 0.00 C ATOM 352 SD MET A 24 9.613 3.900 9.447 1.00 0.00 S ATOM 353 CE MET A 24 11.165 3.045 9.762 1.00 0.00 C ATOM 0 H MET A 24 8.221 4.413 5.144 1.00 0.00 H new ATOM 0 HA MET A 24 10.391 5.202 6.998 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.522 2.465 6.001 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.897 2.773 7.043 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.000 3.337 7.762 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.912 1.930 8.269 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.501 3.263 10.776 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.017 1.971 9.652 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.918 3.383 9.050 1.00 0.00 H new ATOM 363 N GLY A 25 12.183 4.239 5.255 1.00 0.00 N ATOM 364 CA GLY A 25 13.143 4.148 4.187 1.00 0.00 C ATOM 365 C GLY A 25 13.912 2.862 4.280 1.00 0.00 C ATOM 366 O GLY A 25 15.127 2.865 4.464 1.00 0.00 O ATOM 0 H GLY A 25 12.560 4.050 6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.633 4.205 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.829 4.993 4.234 1.00 0.00 H new ATOM 488 N LEU A 35 11.042 1.270 -1.597 1.00 0.00 N ATOM 489 CA LEU A 35 10.028 1.947 -0.853 1.00 0.00 C ATOM 490 C LEU A 35 10.037 1.481 0.580 1.00 0.00 C ATOM 491 O LEU A 35 10.341 0.324 0.864 1.00 0.00 O ATOM 492 CB LEU A 35 8.631 1.686 -1.410 1.00 0.00 C ATOM 493 CG LEU A 35 8.098 0.264 -1.236 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.620 0.306 -1.043 1.00 0.00 C ATOM 495 CD2 LEU A 35 8.416 -0.603 -2.437 1.00 0.00 C ATOM 0 HA LEU A 35 10.250 3.012 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.935 2.375 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.635 1.924 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 35 8.584 -0.170 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.240 -0.708 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.386 0.892 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.152 0.765 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.021 -1.606 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.960 -0.172 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.496 -0.655 -2.572 1.00 0.00 H new ATOM 507 N GLY A 36 9.702 2.361 1.457 1.00 0.00 N ATOM 508 CA GLY A 36 9.552 2.018 2.821 1.00 0.00 C ATOM 509 C GLY A 36 8.192 2.396 3.289 1.00 0.00 C ATOM 510 O GLY A 36 7.977 2.634 4.457 1.00 0.00 O ATOM 0 H GLY A 36 9.524 3.343 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.708 0.948 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.307 2.528 3.419 1.00 0.00 H new ATOM 514 N ILE A 37 7.264 2.465 2.375 1.00 0.00 N ATOM 515 CA ILE A 37 5.925 2.826 2.735 1.00 0.00 C ATOM 516 C ILE A 37 5.178 1.599 3.192 1.00 0.00 C ATOM 517 O ILE A 37 4.752 0.771 2.391 1.00 0.00 O ATOM 518 CB ILE A 37 5.144 3.500 1.594 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.927 4.704 1.014 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.776 3.942 2.122 1.00 0.00 C ATOM 521 CD1 ILE A 37 6.135 5.856 1.970 1.00 0.00 C ATOM 0 H ILE A 37 7.410 2.277 1.383 1.00 0.00 H new ATOM 0 HA ILE A 37 6.005 3.558 3.539 1.00 0.00 H new ATOM 0 HB ILE A 37 5.007 2.785 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.902 4.354 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.397 5.073 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.214 4.421 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.226 3.072 2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.913 4.648 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.693 6.648 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.167 6.241 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.695 5.511 2.839 1.00 0.00 H new ATOM 533 N PHE A 38 5.071 1.466 4.459 1.00 0.00 N ATOM 534 CA PHE A 38 4.377 0.358 5.046 1.00 0.00 C ATOM 535 C PHE A 38 2.988 0.783 5.387 1.00 0.00 C ATOM 536 O PHE A 38 2.691 1.988 5.409 1.00 0.00 O ATOM 537 CB PHE A 38 5.101 -0.137 6.296 1.00 0.00 C ATOM 538 CG PHE A 38 6.443 -0.766 6.033 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.534 -2.108 5.701 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.605 -0.026 6.124 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.762 -2.696 5.465 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.835 -0.604 5.889 1.00 0.00 C ATOM 543 CZ PHE A 38 8.914 -1.943 5.558 1.00 0.00 C ATOM 0 H PHE A 38 5.462 2.123 5.135 1.00 0.00 H new ATOM 0 HA PHE A 38 4.346 -0.464 4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.235 0.702 6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.467 -0.864 6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.635 -2.701 5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.550 1.021 6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.820 -3.743 5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.735 -0.011 5.964 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.875 -2.399 5.373 1.00 0.00 H new ATOM 553 N VAL A 39 2.131 -0.162 5.634 1.00 0.00 N ATOM 554 CA VAL A 39 0.816 0.164 6.043 1.00 0.00 C ATOM 555 C VAL A 39 0.894 0.515 7.517 1.00 0.00 C ATOM 556 O VAL A 39 1.499 -0.203 8.307 1.00 0.00 O ATOM 557 CB VAL A 39 -0.172 -1.008 5.805 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.597 -0.593 6.136 1.00 0.00 C ATOM 559 CG2 VAL A 39 -0.079 -1.507 4.370 1.00 0.00 C ATOM 0 H VAL A 39 2.327 -1.160 5.557 1.00 0.00 H new ATOM 0 HA VAL A 39 0.435 1.000 5.457 1.00 0.00 H new ATOM 0 HB VAL A 39 0.107 -1.824 6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.270 -1.432 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.655 -0.294 7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.889 0.245 5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.780 -2.329 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.325 -0.695 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.935 -1.855 4.171 1.00 0.00 H new ATOM 569 N LYS A 40 0.374 1.638 7.866 1.00 0.00 N ATOM 570 CA LYS A 40 0.422 2.081 9.223 1.00 0.00 C ATOM 571 C LYS A 40 -0.786 1.565 9.956 1.00 0.00 C ATOM 572 O LYS A 40 -0.696 1.107 11.089 1.00 0.00 O ATOM 573 CB LYS A 40 0.472 3.611 9.281 1.00 0.00 C ATOM 574 CG LYS A 40 0.431 4.209 10.667 1.00 0.00 C ATOM 575 CD LYS A 40 1.614 3.786 11.500 1.00 0.00 C ATOM 576 CE LYS A 40 1.460 4.308 12.894 1.00 0.00 C ATOM 577 NZ LYS A 40 2.582 3.925 13.764 1.00 0.00 N ATOM 0 H LYS A 40 -0.096 2.277 7.225 1.00 0.00 H new ATOM 0 HA LYS A 40 1.323 1.694 9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.383 3.947 8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.367 4.007 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.411 5.296 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.490 3.906 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.691 2.699 11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.536 4.165 11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.381 5.395 12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.529 3.932 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.429 4.310 14.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.644 2.888 13.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.468 4.306 13.375 1.00 0.00 H new ATOM 591 N THR A 41 -1.920 1.665 9.328 1.00 0.00 N ATOM 592 CA THR A 41 -3.161 1.239 9.915 1.00 0.00 C ATOM 593 C THR A 41 -4.136 1.066 8.775 1.00 0.00 C ATOM 594 O THR A 41 -3.911 1.603 7.683 1.00 0.00 O ATOM 595 CB THR A 41 -3.741 2.329 10.837 1.00 0.00 C ATOM 596 OG1 THR A 41 -2.683 3.038 11.503 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.626 1.722 11.908 1.00 0.00 C ATOM 0 H THR A 41 -2.013 2.047 8.387 1.00 0.00 H new ATOM 0 HA THR A 41 -2.999 0.329 10.493 1.00 0.00 H new ATOM 0 HB THR A 41 -4.322 3.004 10.209 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.067 3.728 12.084 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.022 2.513 12.544 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.451 1.187 11.438 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.042 1.028 12.513 1.00 0.00 H new ATOM 605 N VAL A 42 -5.195 0.375 9.010 1.00 0.00 N ATOM 606 CA VAL A 42 -6.204 0.168 8.032 1.00 0.00 C ATOM 607 C VAL A 42 -7.509 0.581 8.677 1.00 0.00 C ATOM 608 O VAL A 42 -7.610 0.559 9.902 1.00 0.00 O ATOM 609 CB VAL A 42 -6.261 -1.334 7.588 1.00 0.00 C ATOM 610 CG1 VAL A 42 -7.366 -1.563 6.590 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.943 -1.773 6.973 1.00 0.00 C ATOM 0 H VAL A 42 -5.388 -0.072 9.906 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.000 0.751 7.134 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.456 -1.925 8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.382 -2.613 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.323 -1.296 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.194 -0.946 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.011 -2.819 6.674 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.727 -1.159 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.143 -1.656 7.704 1.00 0.00 H new ATOM 621 N THR A 43 -8.463 1.008 7.888 1.00 0.00 N ATOM 622 CA THR A 43 -9.750 1.376 8.385 1.00 0.00 C ATOM 623 C THR A 43 -10.413 0.128 8.994 1.00 0.00 C ATOM 624 O THR A 43 -10.251 -1.007 8.487 1.00 0.00 O ATOM 625 CB THR A 43 -10.630 1.960 7.246 1.00 0.00 C ATOM 626 OG1 THR A 43 -11.883 2.423 7.749 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.872 0.913 6.194 1.00 0.00 C ATOM 0 H THR A 43 -8.360 1.108 6.878 1.00 0.00 H new ATOM 0 HA THR A 43 -9.643 2.147 9.148 1.00 0.00 H new ATOM 0 HB THR A 43 -10.097 2.805 6.810 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.417 2.787 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.490 1.331 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.918 0.587 5.779 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.383 0.060 6.640 1.00 0.00 H new ATOM 664 N ALA A 47 -14.163 -2.253 4.070 1.00 0.00 N ATOM 665 CA ALA A 47 -14.047 -3.593 3.467 1.00 0.00 C ATOM 666 C ALA A 47 -12.597 -4.143 3.327 1.00 0.00 C ATOM 667 O ALA A 47 -12.409 -5.247 2.875 1.00 0.00 O ATOM 668 CB ALA A 47 -14.770 -3.640 2.134 1.00 0.00 C ATOM 0 HA ALA A 47 -14.527 -4.263 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.674 -4.637 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.825 -3.409 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.331 -2.908 1.456 1.00 0.00 H new ATOM 674 N ALA A 48 -11.603 -3.391 3.766 1.00 0.00 N ATOM 675 CA ALA A 48 -10.220 -3.813 3.686 1.00 0.00 C ATOM 676 C ALA A 48 -9.974 -4.861 4.751 1.00 0.00 C ATOM 677 O ALA A 48 -9.501 -5.945 4.472 1.00 0.00 O ATOM 678 CB ALA A 48 -9.293 -2.625 3.875 1.00 0.00 C ATOM 0 H ALA A 48 -11.734 -2.471 4.187 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.017 -4.238 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.257 -2.958 3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.484 -1.887 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.471 -2.176 4.852 1.00 0.00 H new ATOM 684 N GLN A 49 -10.366 -4.553 5.979 1.00 0.00 N ATOM 685 CA GLN A 49 -10.242 -5.521 7.050 1.00 0.00 C ATOM 686 C GLN A 49 -11.387 -6.525 7.017 1.00 0.00 C ATOM 687 O GLN A 49 -11.434 -7.459 7.818 1.00 0.00 O ATOM 688 CB GLN A 49 -10.078 -4.855 8.414 1.00 0.00 C ATOM 689 CG GLN A 49 -8.732 -4.156 8.554 1.00 0.00 C ATOM 690 CD GLN A 49 -8.499 -3.514 9.909 1.00 0.00 C ATOM 691 OE1 GLN A 49 -7.367 -3.437 10.380 1.00 0.00 O ATOM 692 NE2 GLN A 49 -9.528 -3.002 10.505 1.00 0.00 N ATOM 0 H GLN A 49 -10.766 -3.655 6.252 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.322 -6.082 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.879 -4.131 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.179 -5.606 9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.939 -4.880 8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.652 -3.389 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.454 -3.085 10.085 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.413 -2.516 11.394 1.00 0.00 H new ATOM 701 N ARG A 50 -12.317 -6.315 6.098 1.00 0.00 N ATOM 702 CA ARG A 50 -13.352 -7.293 5.840 1.00 0.00 C ATOM 703 C ARG A 50 -12.780 -8.330 4.908 1.00 0.00 C ATOM 704 O ARG A 50 -13.057 -9.518 5.041 1.00 0.00 O ATOM 705 CB ARG A 50 -14.563 -6.678 5.166 1.00 0.00 C ATOM 706 CG ARG A 50 -15.304 -5.659 5.987 1.00 0.00 C ATOM 707 CD ARG A 50 -16.003 -6.258 7.188 1.00 0.00 C ATOM 708 NE ARG A 50 -16.933 -5.283 7.761 1.00 0.00 N ATOM 709 CZ ARG A 50 -16.922 -4.811 9.012 1.00 0.00 C ATOM 710 NH1 ARG A 50 -16.028 -5.246 9.897 1.00 0.00 N ATOM 711 NH2 ARG A 50 -17.818 -3.907 9.372 1.00 0.00 N ATOM 0 H ARG A 50 -12.373 -5.476 5.521 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.671 -7.716 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.242 -6.208 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.254 -7.477 4.897 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.604 -4.895 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.040 -5.160 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.542 -7.159 6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.268 -6.556 7.936 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.663 -4.928 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.340 -5.948 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.031 -4.877 10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.508 -3.577 8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.819 -3.540 10.324 1.00 0.00 H new ATOM 725 N ASP A 51 -11.978 -7.843 3.944 1.00 0.00 N ATOM 726 CA ASP A 51 -11.322 -8.692 2.933 1.00 0.00 C ATOM 727 C ASP A 51 -10.517 -9.820 3.567 1.00 0.00 C ATOM 728 O ASP A 51 -10.777 -10.999 3.310 1.00 0.00 O ATOM 729 CB ASP A 51 -10.427 -7.844 2.047 1.00 0.00 C ATOM 730 CG ASP A 51 -9.657 -8.645 1.031 1.00 0.00 C ATOM 731 OD1 ASP A 51 -10.219 -8.956 -0.048 1.00 0.00 O ATOM 732 OD2 ASP A 51 -8.480 -8.947 1.274 1.00 0.00 O ATOM 0 H ASP A 51 -11.766 -6.850 3.844 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.105 -9.151 2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.037 -7.105 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.724 -7.294 2.673 1.00 0.00 H new ATOM 737 N GLY A 52 -9.535 -9.460 4.368 1.00 0.00 N ATOM 738 CA GLY A 52 -8.786 -10.457 5.097 1.00 0.00 C ATOM 739 C GLY A 52 -7.442 -10.804 4.482 1.00 0.00 C ATOM 740 O GLY A 52 -6.579 -11.385 5.161 1.00 0.00 O ATOM 0 H GLY A 52 -9.241 -8.496 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.625 -10.101 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.385 -11.365 5.167 1.00 0.00 H new ATOM 744 N ARG A 53 -7.238 -10.470 3.221 1.00 0.00 N ATOM 745 CA ARG A 53 -5.965 -10.773 2.585 1.00 0.00 C ATOM 746 C ARG A 53 -5.055 -9.592 2.847 1.00 0.00 C ATOM 747 O ARG A 53 -3.906 -9.759 3.268 1.00 0.00 O ATOM 748 CB ARG A 53 -6.153 -11.009 1.059 1.00 0.00 C ATOM 749 CG ARG A 53 -5.165 -11.989 0.339 1.00 0.00 C ATOM 750 CD ARG A 53 -3.719 -11.488 0.127 1.00 0.00 C ATOM 751 NE ARG A 53 -2.962 -11.320 1.371 1.00 0.00 N ATOM 752 CZ ARG A 53 -1.745 -11.805 1.648 1.00 0.00 C ATOM 753 NH1 ARG A 53 -1.137 -12.657 0.826 1.00 0.00 N ATOM 754 NH2 ARG A 53 -1.150 -11.444 2.780 1.00 0.00 N ATOM 0 H ARG A 53 -7.920 -9.999 2.626 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.533 -11.688 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.166 -11.380 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.086 -10.042 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.123 -12.913 0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.584 -12.239 -0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.191 -12.192 -0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.749 -10.535 -0.401 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.411 -10.774 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.598 -12.953 -0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.210 -13.014 1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.620 -10.807 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.223 -11.804 3.006 1.00 0.00 H new ATOM 768 N ILE A 54 -5.571 -8.411 2.634 1.00 0.00 N ATOM 769 CA ILE A 54 -4.797 -7.211 2.869 1.00 0.00 C ATOM 770 C ILE A 54 -4.683 -7.008 4.393 1.00 0.00 C ATOM 771 O ILE A 54 -5.609 -7.369 5.142 1.00 0.00 O ATOM 772 CB ILE A 54 -5.451 -5.975 2.178 1.00 0.00 C ATOM 773 CG1 ILE A 54 -4.431 -4.852 2.001 1.00 0.00 C ATOM 774 CG2 ILE A 54 -6.649 -5.477 2.985 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.952 -3.684 1.190 1.00 0.00 C ATOM 0 H ILE A 54 -6.521 -8.249 2.299 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.802 -7.318 2.436 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.800 -6.285 1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.123 -4.493 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.542 -5.253 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.091 -4.615 2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.391 -6.271 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.321 -5.189 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.175 -2.925 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.233 -4.029 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.824 -3.257 1.686 1.00 0.00 H new ATOM 787 N GLN A 55 -3.565 -6.497 4.863 1.00 0.00 N ATOM 788 CA GLN A 55 -3.384 -6.365 6.295 1.00 0.00 C ATOM 789 C GLN A 55 -2.724 -5.034 6.638 1.00 0.00 C ATOM 790 O GLN A 55 -2.514 -4.191 5.770 1.00 0.00 O ATOM 791 CB GLN A 55 -2.517 -7.498 6.859 1.00 0.00 C ATOM 792 CG GLN A 55 -2.916 -8.900 6.455 1.00 0.00 C ATOM 793 CD GLN A 55 -2.032 -9.940 7.086 1.00 0.00 C ATOM 794 OE1 GLN A 55 -2.338 -10.465 8.154 1.00 0.00 O ATOM 795 NE2 GLN A 55 -0.893 -10.173 6.500 1.00 0.00 N ATOM 0 H GLN A 55 -2.784 -6.173 4.292 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.376 -6.414 6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.486 -7.330 6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.535 -7.435 7.947 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.951 -9.080 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.867 -8.993 5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.673 -9.719 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.220 -10.810 6.927 1.00 0.00 H new ATOM 804 N VAL A 56 -2.377 -4.882 7.909 1.00 0.00 N ATOM 805 CA VAL A 56 -1.768 -3.664 8.433 1.00 0.00 C ATOM 806 C VAL A 56 -0.254 -3.775 8.406 1.00 0.00 C ATOM 807 O VAL A 56 0.444 -2.821 8.157 1.00 0.00 O ATOM 808 CB VAL A 56 -2.214 -3.425 9.904 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.648 -2.130 10.464 1.00 0.00 C ATOM 810 CG2 VAL A 56 -3.725 -3.457 10.040 1.00 0.00 C ATOM 0 H VAL A 56 -2.511 -5.607 8.613 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.091 -2.833 7.806 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.806 -4.245 10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.984 -2.001 11.493 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.559 -2.168 10.440 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.995 -1.291 9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.000 -3.286 11.081 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.163 -2.678 9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.099 -4.430 9.721 1.00 0.00 H new ATOM 820 N ASN A 57 0.248 -4.947 8.628 1.00 0.00 N ATOM 821 CA ASN A 57 1.689 -5.117 8.747 1.00 0.00 C ATOM 822 C ASN A 57 2.358 -5.464 7.424 1.00 0.00 C ATOM 823 O ASN A 57 3.487 -5.965 7.400 1.00 0.00 O ATOM 824 CB ASN A 57 2.032 -6.134 9.836 1.00 0.00 C ATOM 825 CG ASN A 57 1.731 -5.635 11.245 1.00 0.00 C ATOM 826 OD1 ASN A 57 2.571 -5.001 11.890 1.00 0.00 O ATOM 827 ND2 ASN A 57 0.550 -5.915 11.746 1.00 0.00 N ATOM 0 H ASN A 57 -0.298 -5.802 8.732 1.00 0.00 H new ATOM 0 HA ASN A 57 2.095 -4.150 9.044 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.472 -7.051 9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.090 -6.388 9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.310 -5.607 12.688 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.127 -6.440 11.193 1.00 0.00 H new ATOM 834 N ASP A 58 1.683 -5.156 6.335 1.00 0.00 N ATOM 835 CA ASP A 58 2.219 -5.375 4.997 1.00 0.00 C ATOM 836 C ASP A 58 2.728 -4.059 4.418 1.00 0.00 C ATOM 837 O ASP A 58 2.768 -3.028 5.120 1.00 0.00 O ATOM 838 CB ASP A 58 1.182 -6.035 4.061 1.00 0.00 C ATOM 839 CG ASP A 58 0.957 -7.509 4.361 1.00 0.00 C ATOM 840 OD1 ASP A 58 0.152 -7.835 5.248 1.00 0.00 O ATOM 841 OD2 ASP A 58 1.613 -8.366 3.754 1.00 0.00 O ATOM 0 H ASP A 58 0.749 -4.747 6.347 1.00 0.00 H new ATOM 0 HA ASP A 58 3.055 -6.070 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.234 -5.504 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.514 -5.928 3.028 1.00 0.00 H new ATOM 846 N GLN A 59 3.111 -4.063 3.162 1.00 0.00 N ATOM 847 CA GLN A 59 3.704 -2.888 2.562 1.00 0.00 C ATOM 848 C GLN A 59 3.003 -2.518 1.249 1.00 0.00 C ATOM 849 O GLN A 59 2.891 -3.354 0.358 1.00 0.00 O ATOM 850 CB GLN A 59 5.173 -3.183 2.302 1.00 0.00 C ATOM 851 CG GLN A 59 5.964 -2.000 1.815 1.00 0.00 C ATOM 852 CD GLN A 59 7.418 -2.312 1.583 1.00 0.00 C ATOM 853 OE1 GLN A 59 7.790 -3.421 1.225 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.244 -1.340 1.796 1.00 0.00 N ATOM 0 H GLN A 59 3.023 -4.864 2.537 1.00 0.00 H new ATOM 0 HA GLN A 59 3.594 -2.041 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.625 -3.554 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.246 -3.983 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.525 -1.635 0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.884 -1.193 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.894 -0.429 2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.245 -1.484 1.666 1.00 0.00 H new ATOM 863 N ILE A 60 2.548 -1.267 1.123 1.00 0.00 N ATOM 864 CA ILE A 60 1.900 -0.817 -0.110 1.00 0.00 C ATOM 865 C ILE A 60 2.967 -0.612 -1.163 1.00 0.00 C ATOM 866 O ILE A 60 3.671 0.371 -1.125 1.00 0.00 O ATOM 867 CB ILE A 60 1.176 0.543 0.028 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.140 0.549 1.157 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.506 0.872 -1.293 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.963 -0.481 1.014 1.00 0.00 C ATOM 0 H ILE A 60 2.616 -0.556 1.852 1.00 0.00 H new ATOM 0 HA ILE A 60 1.166 -1.581 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 60 1.920 1.297 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.654 0.381 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.312 1.539 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.009 1.829 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.260 0.931 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.214 0.092 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.647 -0.401 1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.508 -0.304 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.527 -1.480 0.993 1.00 0.00 H new ATOM 882 N VAL A 61 3.070 -1.510 -2.089 1.00 0.00 N ATOM 883 CA VAL A 61 4.130 -1.442 -3.071 1.00 0.00 C ATOM 884 C VAL A 61 3.686 -0.661 -4.320 1.00 0.00 C ATOM 885 O VAL A 61 4.346 0.289 -4.762 1.00 0.00 O ATOM 886 CB VAL A 61 4.606 -2.878 -3.416 1.00 0.00 C ATOM 887 CG1 VAL A 61 5.657 -2.908 -4.489 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.096 -3.584 -2.162 1.00 0.00 C ATOM 0 H VAL A 61 2.438 -2.304 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 61 4.973 -0.893 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 61 3.744 -3.410 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.948 -3.940 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.258 -2.464 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.528 -2.341 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.427 -4.591 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.928 -3.026 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.285 -3.642 -1.437 1.00 0.00 H new ATOM 898 N GLU A 62 2.556 -1.022 -4.844 1.00 0.00 N ATOM 899 CA GLU A 62 2.027 -0.400 -6.028 1.00 0.00 C ATOM 900 C GLU A 62 0.516 -0.414 -5.995 1.00 0.00 C ATOM 901 O GLU A 62 -0.110 -1.442 -6.147 1.00 0.00 O ATOM 902 CB GLU A 62 2.571 -1.072 -7.317 1.00 0.00 C ATOM 903 CG GLU A 62 1.876 -0.610 -8.591 1.00 0.00 C ATOM 904 CD GLU A 62 2.478 -1.179 -9.850 1.00 0.00 C ATOM 905 OE1 GLU A 62 2.088 -2.283 -10.284 1.00 0.00 O ATOM 906 OE2 GLU A 62 3.312 -0.515 -10.448 1.00 0.00 O ATOM 0 H GLU A 62 1.967 -1.762 -4.463 1.00 0.00 H new ATOM 0 HA GLU A 62 2.361 0.637 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.638 -0.865 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.462 -2.153 -7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.824 -0.891 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.913 0.478 -8.641 1.00 0.00 H new ATOM 913 N VAL A 63 -0.056 0.719 -5.742 1.00 0.00 N ATOM 914 CA VAL A 63 -1.488 0.851 -5.737 1.00 0.00 C ATOM 915 C VAL A 63 -1.982 1.400 -7.032 1.00 0.00 C ATOM 916 O VAL A 63 -1.429 2.363 -7.550 1.00 0.00 O ATOM 917 CB VAL A 63 -2.004 1.677 -4.529 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.361 2.316 -4.822 1.00 0.00 C ATOM 919 CG2 VAL A 63 -2.148 0.743 -3.376 1.00 0.00 C ATOM 0 H VAL A 63 0.449 1.580 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.899 -0.152 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.298 2.479 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.690 2.886 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.272 2.982 -5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.090 1.536 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.510 1.292 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.859 -0.043 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.180 0.297 -3.146 1.00 0.00 H new ATOM 929 N ASP A 64 -2.928 0.678 -7.611 1.00 0.00 N ATOM 930 CA ASP A 64 -3.679 1.059 -8.826 1.00 0.00 C ATOM 931 C ASP A 64 -2.826 0.995 -10.090 1.00 0.00 C ATOM 932 O ASP A 64 -3.323 1.005 -11.199 1.00 0.00 O ATOM 933 CB ASP A 64 -4.385 2.427 -8.650 1.00 0.00 C ATOM 934 CG ASP A 64 -5.273 2.825 -9.820 1.00 0.00 C ATOM 935 OD1 ASP A 64 -6.426 2.317 -9.916 1.00 0.00 O ATOM 936 OD2 ASP A 64 -4.864 3.687 -10.624 1.00 0.00 O ATOM 0 H ASP A 64 -3.215 -0.229 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.461 0.313 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.989 2.398 -7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.628 3.198 -8.504 1.00 0.00 H new ATOM 941 N GLY A 65 -1.563 0.823 -9.885 1.00 0.00 N ATOM 942 CA GLY A 65 -0.617 0.827 -10.949 1.00 0.00 C ATOM 943 C GLY A 65 0.151 2.130 -10.991 1.00 0.00 C ATOM 944 O GLY A 65 0.861 2.416 -11.957 1.00 0.00 O ATOM 0 H GLY A 65 -1.154 0.674 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.077 -0.004 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.132 0.674 -11.898 1.00 0.00 H new ATOM 948 N ILE A 66 0.032 2.918 -9.919 1.00 0.00 N ATOM 949 CA ILE A 66 0.689 4.209 -9.839 1.00 0.00 C ATOM 950 C ILE A 66 2.212 4.049 -9.630 1.00 0.00 C ATOM 951 O ILE A 66 2.992 4.962 -9.909 1.00 0.00 O ATOM 952 CB ILE A 66 0.084 5.085 -8.693 1.00 0.00 C ATOM 953 CG1 ILE A 66 0.346 6.558 -8.989 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.698 4.702 -7.343 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.340 7.505 -8.052 1.00 0.00 C ATOM 0 H ILE A 66 -0.518 2.676 -9.095 1.00 0.00 H new ATOM 0 HA ILE A 66 0.519 4.716 -10.789 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.991 4.911 -8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.420 6.739 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.024 6.775 -10.007 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.265 5.322 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.490 3.653 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.776 4.859 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.101 8.531 -8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.418 7.355 -8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.000 7.319 -7.033 1.00 0.00 H new ATOM 967 N SER A 67 2.603 2.852 -9.190 1.00 0.00 N ATOM 968 CA SER A 67 3.978 2.495 -8.840 1.00 0.00 C ATOM 969 C SER A 67 4.629 3.497 -7.872 1.00 0.00 C ATOM 970 O SER A 67 5.380 4.387 -8.265 1.00 0.00 O ATOM 971 CB SER A 67 4.848 2.202 -10.089 1.00 0.00 C ATOM 972 OG SER A 67 4.786 3.257 -11.051 1.00 0.00 O ATOM 0 H SER A 67 1.949 2.079 -9.063 1.00 0.00 H new ATOM 0 HA SER A 67 3.919 1.557 -8.288 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.883 2.054 -9.782 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.516 1.272 -10.551 1.00 0.00 H new ATOM 0 HG SER A 67 4.803 4.122 -10.590 1.00 0.00 H new ATOM 978 N LEU A 68 4.330 3.343 -6.603 1.00 0.00 N ATOM 979 CA LEU A 68 4.810 4.271 -5.596 1.00 0.00 C ATOM 980 C LEU A 68 6.077 3.726 -4.949 1.00 0.00 C ATOM 981 O LEU A 68 6.508 4.166 -3.892 1.00 0.00 O ATOM 982 CB LEU A 68 3.709 4.532 -4.573 1.00 0.00 C ATOM 983 CG LEU A 68 3.248 3.337 -3.770 1.00 0.00 C ATOM 984 CD1 LEU A 68 3.770 3.402 -2.344 1.00 0.00 C ATOM 985 CD2 LEU A 68 1.753 3.219 -3.824 1.00 0.00 C ATOM 0 H LEU A 68 3.755 2.583 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 68 5.065 5.224 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.060 5.296 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.847 4.947 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 68 3.665 2.433 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.423 2.530 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.860 3.414 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.402 4.308 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.435 2.354 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.302 4.121 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.435 3.096 -4.859 1.00 0.00 H new ATOM 997 N VAL A 69 6.638 2.748 -5.597 1.00 0.00 N ATOM 998 CA VAL A 69 7.911 2.173 -5.216 1.00 0.00 C ATOM 999 C VAL A 69 9.004 3.255 -5.195 1.00 0.00 C ATOM 1000 O VAL A 69 9.504 3.673 -6.247 1.00 0.00 O ATOM 1001 CB VAL A 69 8.333 1.034 -6.185 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.662 0.403 -5.766 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.242 -0.019 -6.268 1.00 0.00 C ATOM 0 H VAL A 69 6.223 2.314 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 69 7.793 1.753 -4.217 1.00 0.00 H new ATOM 0 HB VAL A 69 8.475 1.471 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.925 -0.389 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.443 1.164 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.566 -0.015 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.552 -0.811 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.067 -0.441 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.323 0.438 -6.635 1.00 0.00 H new ATOM 1013 N GLY A 70 9.280 3.758 -4.014 1.00 0.00 N ATOM 1014 CA GLY A 70 10.330 4.723 -3.832 1.00 0.00 C ATOM 1015 C GLY A 70 9.800 6.127 -3.661 1.00 0.00 C ATOM 1016 O GLY A 70 10.421 7.084 -4.117 1.00 0.00 O ATOM 0 H GLY A 70 8.783 3.509 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.921 4.452 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.000 4.693 -4.691 1.00 0.00 H new ATOM 1020 N VAL A 71 8.658 6.265 -3.012 1.00 0.00 N ATOM 1021 CA VAL A 71 8.068 7.591 -2.799 1.00 0.00 C ATOM 1022 C VAL A 71 8.029 7.946 -1.317 1.00 0.00 C ATOM 1023 O VAL A 71 8.400 7.139 -0.465 1.00 0.00 O ATOM 1024 CB VAL A 71 6.632 7.712 -3.376 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.612 7.378 -4.859 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.646 6.842 -2.596 1.00 0.00 C ATOM 0 H VAL A 71 8.120 5.490 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 71 8.713 8.288 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 71 6.313 8.748 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.595 7.470 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.264 8.067 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.963 6.357 -5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.649 6.948 -3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.956 5.799 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.628 7.158 -1.553 1.00 0.00 H new ATOM 1036 N THR A 72 7.565 9.132 -1.028 1.00 0.00 N ATOM 1037 CA THR A 72 7.433 9.613 0.315 1.00 0.00 C ATOM 1038 C THR A 72 6.065 9.293 0.861 1.00 0.00 C ATOM 1039 O THR A 72 5.167 8.840 0.117 1.00 0.00 O ATOM 1040 CB THR A 72 7.645 11.120 0.351 1.00 0.00 C ATOM 1041 OG1 THR A 72 6.898 11.711 -0.727 1.00 0.00 O ATOM 1042 CG2 THR A 72 9.115 11.471 0.245 1.00 0.00 C ATOM 0 H THR A 72 7.263 9.802 -1.736 1.00 0.00 H new ATOM 0 HA THR A 72 8.187 9.121 0.930 1.00 0.00 H new ATOM 0 HB THR A 72 7.292 11.513 1.305 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.145 12.655 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.233 12.554 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.657 11.025 1.079 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.514 11.087 -0.694 1.00 0.00 H new ATOM 1050 N GLN A 73 5.882 9.553 2.141 1.00 0.00 N ATOM 1051 CA GLN A 73 4.631 9.266 2.789 1.00 0.00 C ATOM 1052 C GLN A 73 3.521 10.143 2.208 1.00 0.00 C ATOM 1053 O GLN A 73 2.402 9.710 2.092 1.00 0.00 O ATOM 1054 CB GLN A 73 4.708 9.400 4.347 1.00 0.00 C ATOM 1055 CG GLN A 73 4.413 10.784 4.921 1.00 0.00 C ATOM 1056 CD GLN A 73 5.419 11.825 4.524 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.082 12.980 4.348 1.00 0.00 O ATOM 1058 NE2 GLN A 73 6.652 11.446 4.429 1.00 0.00 N ATOM 0 H GLN A 73 6.591 9.964 2.749 1.00 0.00 H new ATOM 0 HA GLN A 73 4.396 8.221 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.007 8.690 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.706 9.102 4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.424 11.102 4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.380 10.718 6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.898 10.468 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.378 12.125 4.200 1.00 0.00 H new ATOM 1067 N ASN A 74 3.868 11.358 1.786 1.00 0.00 N ATOM 1068 CA ASN A 74 2.867 12.281 1.252 1.00 0.00 C ATOM 1069 C ASN A 74 2.387 11.831 -0.107 1.00 0.00 C ATOM 1070 O ASN A 74 1.196 11.964 -0.426 1.00 0.00 O ATOM 1071 CB ASN A 74 3.344 13.754 1.222 1.00 0.00 C ATOM 1072 CG ASN A 74 4.567 13.998 0.359 1.00 0.00 C ATOM 1073 OD1 ASN A 74 4.460 14.222 -0.842 1.00 0.00 O ATOM 1074 ND2 ASN A 74 5.725 14.007 0.963 1.00 0.00 N ATOM 0 H ASN A 74 4.820 11.723 1.802 1.00 0.00 H new ATOM 0 HA ASN A 74 2.025 12.253 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.528 14.380 0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.564 14.073 2.241 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.575 14.204 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.780 13.817 1.964 1.00 0.00 H new ATOM 1081 N PHE A 75 3.291 11.256 -0.897 1.00 0.00 N ATOM 1082 CA PHE A 75 2.916 10.724 -2.183 1.00 0.00 C ATOM 1083 C PHE A 75 1.983 9.555 -1.951 1.00 0.00 C ATOM 1084 O PHE A 75 0.870 9.519 -2.475 1.00 0.00 O ATOM 1085 CB PHE A 75 4.143 10.259 -2.983 1.00 0.00 C ATOM 1086 CG PHE A 75 3.824 9.862 -4.418 1.00 0.00 C ATOM 1087 CD1 PHE A 75 3.255 8.626 -4.717 1.00 0.00 C ATOM 1088 CD2 PHE A 75 4.083 10.734 -5.459 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.957 8.277 -6.013 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.784 10.388 -6.764 1.00 0.00 C ATOM 1091 CZ PHE A 75 3.219 9.159 -7.042 1.00 0.00 C ATOM 0 H PHE A 75 4.278 11.152 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 75 2.426 11.505 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.884 11.059 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.598 9.410 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.045 7.931 -3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.524 11.697 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.518 7.313 -6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.993 11.080 -7.567 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.983 8.889 -8.061 1.00 0.00 H new ATOM 1101 N ALA A 76 2.429 8.627 -1.110 1.00 0.00 N ATOM 1102 CA ALA A 76 1.666 7.436 -0.799 1.00 0.00 C ATOM 1103 C ALA A 76 0.309 7.767 -0.180 1.00 0.00 C ATOM 1104 O ALA A 76 -0.703 7.240 -0.613 1.00 0.00 O ATOM 1105 CB ALA A 76 2.459 6.521 0.092 1.00 0.00 C ATOM 0 H ALA A 76 3.327 8.684 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 76 1.467 6.920 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.871 5.631 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.380 6.230 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.702 7.038 1.020 1.00 0.00 H new ATOM 1111 N ALA A 77 0.284 8.675 0.791 1.00 0.00 N ATOM 1112 CA ALA A 77 -0.959 9.079 1.459 1.00 0.00 C ATOM 1113 C ALA A 77 -1.959 9.621 0.452 1.00 0.00 C ATOM 1114 O ALA A 77 -3.163 9.419 0.590 1.00 0.00 O ATOM 1115 CB ALA A 77 -0.686 10.109 2.544 1.00 0.00 C ATOM 0 H ALA A 77 1.116 9.151 1.139 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.388 8.195 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.624 10.391 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.012 9.684 3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.226 10.992 2.100 1.00 0.00 H new ATOM 1121 N THR A 78 -1.447 10.280 -0.570 1.00 0.00 N ATOM 1122 CA THR A 78 -2.261 10.782 -1.641 1.00 0.00 C ATOM 1123 C THR A 78 -2.843 9.605 -2.463 1.00 0.00 C ATOM 1124 O THR A 78 -4.041 9.580 -2.765 1.00 0.00 O ATOM 1125 CB THR A 78 -1.437 11.724 -2.551 1.00 0.00 C ATOM 1126 OG1 THR A 78 -0.966 12.869 -1.801 1.00 0.00 O ATOM 1127 CG2 THR A 78 -2.243 12.184 -3.753 1.00 0.00 C ATOM 0 H THR A 78 -0.452 10.479 -0.674 1.00 0.00 H new ATOM 0 HA THR A 78 -3.086 11.353 -1.216 1.00 0.00 H new ATOM 0 HB THR A 78 -0.579 11.160 -2.917 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.274 12.584 -1.168 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.633 12.844 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.547 11.318 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.128 12.721 -3.413 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.000 8.630 -2.788 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.414 7.448 -3.556 1.00 0.00 C ATOM 1137 C VAL A 79 -3.477 6.657 -2.805 1.00 0.00 C ATOM 1138 O VAL A 79 -4.541 6.384 -3.340 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.245 6.491 -3.848 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -1.702 5.366 -4.767 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.082 7.236 -4.442 1.00 0.00 C ATOM 0 H VAL A 79 -1.013 8.631 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.806 7.832 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.912 6.051 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.865 4.696 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.507 4.809 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.061 5.787 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.733 6.540 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.391 7.709 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.256 8.000 -3.742 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.191 6.335 -1.550 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.110 5.563 -0.698 1.00 0.00 C ATOM 1153 C LEU A 80 -5.380 6.358 -0.334 1.00 0.00 C ATOM 1154 O LEU A 80 -6.282 5.850 0.330 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.413 5.011 0.575 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.373 3.860 0.399 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -2.939 2.716 -0.402 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.076 4.325 -0.215 1.00 0.00 C ATOM 0 H LEU A 80 -2.320 6.597 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.422 4.706 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.910 5.843 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.189 4.659 1.255 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.151 3.510 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.186 1.935 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.814 2.313 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.227 3.072 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.395 3.479 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.271 4.748 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.623 5.085 0.422 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.420 7.601 -0.740 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.596 8.421 -0.608 1.00 0.00 C ATOM 1172 C ARG A 81 -7.351 8.471 -1.951 1.00 0.00 C ATOM 1173 O ARG A 81 -8.575 8.547 -1.990 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.200 9.834 -0.097 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.261 10.948 -0.208 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.291 11.581 -1.613 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.329 12.612 -1.744 1.00 0.00 N ATOM 1178 CZ ARG A 81 -8.700 13.205 -2.897 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -8.171 12.812 -4.062 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -9.619 14.168 -2.878 1.00 0.00 N ATOM 0 H ARG A 81 -4.630 8.077 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.272 7.988 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.912 9.746 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.314 10.155 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.243 10.537 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.054 11.720 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.318 12.020 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.462 10.802 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.809 12.904 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.483 12.060 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.456 13.265 -4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.039 14.454 -1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.903 14.619 -3.748 1.00 0.00 H new ATOM 1194 N ASN A 82 -6.594 8.408 -3.044 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.136 8.483 -4.421 1.00 0.00 C ATOM 1196 C ASN A 82 -7.702 7.168 -4.871 1.00 0.00 C ATOM 1197 O ASN A 82 -8.061 6.979 -6.038 1.00 0.00 O ATOM 1198 CB ASN A 82 -6.078 8.959 -5.406 1.00 0.00 C ATOM 1199 CG ASN A 82 -6.080 10.455 -5.552 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -6.731 10.998 -6.433 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -5.399 11.138 -4.683 1.00 0.00 N ATOM 0 H ASN A 82 -5.580 8.303 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.947 9.211 -4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.095 8.628 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.254 8.499 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.397 12.157 -4.724 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.866 10.655 -3.960 1.00 0.00 H new ATOM 1208 N THR A 83 -7.743 6.263 -3.957 1.00 0.00 N ATOM 1209 CA THR A 83 -8.317 4.991 -4.144 1.00 0.00 C ATOM 1210 C THR A 83 -9.847 5.072 -4.248 1.00 0.00 C ATOM 1211 O THR A 83 -10.468 6.105 -3.944 1.00 0.00 O ATOM 1212 CB THR A 83 -7.909 4.115 -2.979 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.051 4.886 -1.785 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.464 3.673 -3.130 1.00 0.00 C ATOM 0 H THR A 83 -7.359 6.402 -3.022 1.00 0.00 H new ATOM 0 HA THR A 83 -7.958 4.567 -5.082 1.00 0.00 H new ATOM 0 HB THR A 83 -8.536 3.224 -2.943 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.993 4.901 -1.515 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.186 3.044 -2.285 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.351 3.108 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.817 4.549 -3.159 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.420 3.973 -4.617 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.828 3.827 -4.884 1.00 0.00 C ATOM 1224 C LYS A 84 -12.232 2.407 -4.498 1.00 0.00 C ATOM 1225 O LYS A 84 -11.521 1.790 -3.715 1.00 0.00 O ATOM 1226 CB LYS A 84 -12.104 4.169 -6.388 1.00 0.00 C ATOM 1227 CG LYS A 84 -10.925 3.894 -7.347 1.00 0.00 C ATOM 1228 CD LYS A 84 -10.604 2.418 -7.489 1.00 0.00 C ATOM 1229 CE LYS A 84 -9.221 2.193 -8.121 1.00 0.00 C ATOM 1230 NZ LYS A 84 -9.061 2.821 -9.451 1.00 0.00 N ATOM 0 H LYS A 84 -9.900 3.106 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.433 4.516 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.967 3.594 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.375 5.222 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.160 4.305 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.041 4.419 -6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.637 1.943 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.366 1.938 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.457 2.586 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.044 1.121 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.138 2.557 -9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.819 2.493 -10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.114 3.855 -9.355 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.358 1.928 -4.993 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.827 0.578 -4.704 1.00 0.00 C ATOM 1246 C GLY A 85 -12.824 -0.516 -5.055 1.00 0.00 C ATOM 1247 O GLY A 85 -12.184 -1.076 -4.170 1.00 0.00 O ATOM 0 H GLY A 85 -13.975 2.460 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.069 0.508 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.751 0.400 -5.254 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.668 -0.816 -6.327 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.756 -1.886 -6.729 1.00 0.00 C ATOM 1253 C ASN A 86 -10.366 -1.371 -6.941 1.00 0.00 C ATOM 1254 O ASN A 86 -10.092 -0.701 -7.923 1.00 0.00 O ATOM 1255 CB ASN A 86 -12.241 -2.661 -7.955 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.456 -3.519 -7.664 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -14.603 -3.084 -7.821 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.226 -4.732 -7.228 1.00 0.00 N ATOM 0 H ASN A 86 -13.148 -0.348 -7.095 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.740 -2.592 -5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.481 -1.958 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -11.433 -3.295 -8.321 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.006 -5.351 -7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.267 -5.058 -7.110 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.493 -1.675 -6.011 1.00 0.00 N ATOM 1266 CA VAL A 87 -8.133 -1.166 -6.037 1.00 0.00 C ATOM 1267 C VAL A 87 -7.164 -2.300 -6.190 1.00 0.00 C ATOM 1268 O VAL A 87 -7.292 -3.298 -5.521 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.756 -0.490 -4.715 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.560 0.410 -4.882 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.915 0.208 -4.071 1.00 0.00 C ATOM 0 H VAL A 87 -9.699 -2.279 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.086 -0.459 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.469 -1.282 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.318 0.875 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.708 -0.177 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.787 1.184 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.590 0.669 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.295 0.978 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.705 -0.514 -3.863 1.00 0.00 H new ATOM 1281 N ARG A 88 -6.192 -2.137 -7.025 1.00 0.00 N ATOM 1282 CA ARG A 88 -5.155 -3.115 -7.178 1.00 0.00 C ATOM 1283 C ARG A 88 -4.004 -2.782 -6.282 1.00 0.00 C ATOM 1284 O ARG A 88 -3.222 -1.871 -6.567 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.702 -3.173 -8.610 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.721 -3.786 -9.528 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.384 -3.486 -10.955 1.00 0.00 C ATOM 1288 NE ARG A 88 -4.060 -3.984 -11.340 1.00 0.00 N ATOM 1289 CZ ARG A 88 -3.144 -3.291 -12.032 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -3.362 -2.019 -12.374 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -2.009 -3.872 -12.363 1.00 0.00 N ATOM 0 H ARG A 88 -6.090 -1.319 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.547 -4.093 -6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.473 -2.164 -8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.777 -3.747 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.756 -4.865 -9.375 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.712 -3.398 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.138 -3.932 -11.604 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.423 -2.408 -11.115 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.816 -4.934 -11.059 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.234 -1.562 -12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.656 -1.504 -12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.834 -4.840 -12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.305 -3.354 -12.889 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.945 -3.450 -5.176 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.866 -3.293 -4.255 1.00 0.00 C ATOM 1307 C PHE A 89 -1.831 -4.301 -4.572 1.00 0.00 C ATOM 1308 O PHE A 89 -2.002 -5.469 -4.278 1.00 0.00 O ATOM 1309 CB PHE A 89 -3.303 -3.537 -2.820 1.00 0.00 C ATOM 1310 CG PHE A 89 -4.293 -2.593 -2.291 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.887 -1.449 -1.654 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.628 -2.852 -2.410 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.798 -0.568 -1.145 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.546 -1.974 -1.901 1.00 0.00 C ATOM 1315 CZ PHE A 89 -6.133 -0.834 -1.272 1.00 0.00 C ATOM 0 H PHE A 89 -4.651 -4.126 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.497 -2.271 -4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.714 -4.544 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.421 -3.508 -2.180 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.832 -1.242 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.960 -3.752 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.467 0.331 -0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.601 -2.183 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.861 -0.142 -0.875 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.795 -3.900 -5.188 1.00 0.00 N ATOM 1326 CA VAL A 90 0.266 -4.799 -5.429 1.00 0.00 C ATOM 1327 C VAL A 90 1.192 -4.626 -4.265 1.00 0.00 C ATOM 1328 O VAL A 90 2.002 -3.728 -4.232 1.00 0.00 O ATOM 1329 CB VAL A 90 0.999 -4.530 -6.755 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.055 -5.600 -7.022 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.011 -4.441 -7.909 1.00 0.00 C ATOM 0 H VAL A 90 -0.653 -2.953 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.111 -5.817 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 90 1.509 -3.570 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.559 -5.387 -7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.785 -5.601 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.576 -6.578 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.551 -4.250 -8.836 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.535 -5.380 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.692 -3.628 -7.725 1.00 0.00 H new ATOM 1341 N ILE A 91 0.897 -5.348 -3.256 1.00 0.00 N ATOM 1342 CA ILE A 91 1.605 -5.356 -2.030 1.00 0.00 C ATOM 1343 C ILE A 91 2.499 -6.557 -1.986 1.00 0.00 C ATOM 1344 O ILE A 91 2.306 -7.500 -2.732 1.00 0.00 O ATOM 1345 CB ILE A 91 0.551 -5.382 -0.892 1.00 0.00 C ATOM 1346 CG1 ILE A 91 -0.134 -4.038 -0.833 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.081 -5.819 0.481 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -1.225 -3.970 0.145 1.00 0.00 C ATOM 0 H ILE A 91 0.105 -5.991 -3.260 1.00 0.00 H new ATOM 0 HA ILE A 91 2.237 -4.475 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.166 -6.164 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.605 -3.274 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.529 -3.799 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.268 -5.804 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.485 -6.829 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.867 -5.135 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.667 -2.974 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.986 -4.709 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.834 -4.177 1.141 1.00 0.00 H new ATOM 1360 N GLY A 92 3.480 -6.505 -1.174 1.00 0.00 N ATOM 1361 CA GLY A 92 4.313 -7.602 -1.028 1.00 0.00 C ATOM 1362 C GLY A 92 4.495 -7.925 0.414 1.00 0.00 C ATOM 1363 O GLY A 92 4.298 -7.061 1.283 1.00 0.00 O ATOM 0 H GLY A 92 3.718 -5.698 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.890 -8.461 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.280 -7.396 -1.486 1.00 0.00 H new ATOM 1367 N ARG A 93 4.860 -9.133 0.664 1.00 0.00 N ATOM 1368 CA ARG A 93 5.090 -9.624 1.983 1.00 0.00 C ATOM 1369 C ARG A 93 6.392 -10.382 1.998 1.00 0.00 C ATOM 1370 O ARG A 93 6.732 -11.081 1.027 1.00 0.00 O ATOM 1371 CB ARG A 93 3.921 -10.528 2.434 1.00 0.00 C ATOM 1372 CG ARG A 93 4.163 -11.332 3.715 1.00 0.00 C ATOM 1373 CD ARG A 93 4.448 -10.471 4.933 1.00 0.00 C ATOM 1374 NE ARG A 93 3.298 -9.702 5.388 1.00 0.00 N ATOM 1375 CZ ARG A 93 2.996 -9.505 6.678 1.00 0.00 C ATOM 1376 NH1 ARG A 93 3.806 -9.966 7.637 1.00 0.00 N ATOM 1377 NH2 ARG A 93 1.902 -8.850 7.012 1.00 0.00 N ATOM 0 H ARG A 93 5.012 -9.831 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 93 5.150 -8.790 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.038 -9.905 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.691 -11.224 1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.288 -11.951 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.002 -12.009 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.792 -11.110 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.263 -9.786 4.700 1.00 0.00 H new ATOM 0 HE ARG A 93 2.687 -9.289 4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.657 -10.470 7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.573 -9.814 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.281 -8.491 6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.676 -8.702 7.996 1.00 0.00 H new ATOM 1391 N GLU A 94 7.146 -10.181 3.044 1.00 0.00 N ATOM 1392 CA GLU A 94 8.339 -10.911 3.263 1.00 0.00 C ATOM 1393 C GLU A 94 7.984 -12.302 3.779 1.00 0.00 C ATOM 1394 O GLU A 94 7.729 -12.474 4.988 1.00 0.00 O ATOM 1395 CB GLU A 94 9.295 -10.149 4.202 1.00 0.00 C ATOM 1396 CG GLU A 94 8.667 -9.621 5.486 1.00 0.00 C ATOM 1397 CD GLU A 94 9.684 -8.986 6.393 1.00 0.00 C ATOM 1398 OE1 GLU A 94 9.961 -7.773 6.255 1.00 0.00 O ATOM 1399 OE2 GLU A 94 10.245 -9.689 7.246 1.00 0.00 O ATOM 0 H GLU A 94 6.936 -9.495 3.769 1.00 0.00 H new ATOM 0 HA GLU A 94 8.879 -11.027 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.121 -10.810 4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.722 -9.309 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.896 -8.891 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.174 -10.439 6.011 1.00 0.00 H new