USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 808 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 20 HIS : no HE2:sc= 0.757 K(o=1.3,f=-4.6!) USER MOD Set 1.2: A 31 ASN : amide:sc= 0.426 K(o=1.3,f=-5!) USER MOD Set 1.3: A 34 ASN : amide:sc= 0.121 K(o=1.3,f=-1.3) USER MOD Single : A 13 SER OG : rot -20:sc= 0.535 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0185 (180deg=-0.221) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.157 USER MOD Single : A 28 GLN : amide:sc= -1.99 K(o=-2,f=-4.7!) USER MOD Single : A 30 MET CE :methyl 178:sc= -2.78 (180deg=-2.87) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -23:sc= -0.743 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -74:sc= -6.74! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -30:sc= 0.835 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 0.314 (180deg=-1.28) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= -0.0358 (180deg=-0.216) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -3.79! K(o=-3.8!,f=-3.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 1.29 (180deg=1.16) USER MOD Single : A 84 THR OG1 : rot -18:sc= 1.2 USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= -0.387 (180deg=-0.584) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 1.17 (180deg=0.85) USER MOD Single : A 91 SER OG : rot 180:sc= -0.224 USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0531) USER MOD Single : A 100 CYS SG : rot 154:sc= 0.0644 USER MOD Single : A 101 GLN : amide:sc= -0.741 K(o=-0.74,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= 0.903 (180deg=-0.0445) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.423 0.476 0.611 1.00 0.00 N ATOM 78 CA ILE A 7 13.847 -0.876 0.998 1.00 0.00 C ATOM 79 C ILE A 7 13.367 -1.942 -0.007 1.00 0.00 C ATOM 80 O ILE A 7 12.191 -1.984 -0.380 1.00 0.00 O ATOM 81 CB ILE A 7 13.347 -1.239 2.425 1.00 0.00 C ATOM 82 CG1 ILE A 7 13.780 -2.667 2.809 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.830 -1.080 2.534 1.00 0.00 C ATOM 84 CD1 ILE A 7 13.360 -3.082 4.203 1.00 0.00 C ATOM 0 HA ILE A 7 14.937 -0.871 0.995 1.00 0.00 H new ATOM 0 HB ILE A 7 13.806 -0.545 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.359 -3.369 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.865 -2.741 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.508 -1.341 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.556 -0.047 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.343 -1.739 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.701 -4.099 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.802 -2.404 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.274 -3.043 4.283 1.00 0.00 H new ATOM 96 N ALA A 8 14.289 -2.809 -0.428 1.00 0.00 N ATOM 97 CA ALA A 8 14.002 -3.844 -1.432 1.00 0.00 C ATOM 98 C ALA A 8 12.783 -4.709 -1.063 1.00 0.00 C ATOM 99 O ALA A 8 12.032 -5.145 -1.940 1.00 0.00 O ATOM 100 CB ALA A 8 15.230 -4.721 -1.632 1.00 0.00 C ATOM 0 H ALA A 8 15.251 -2.817 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 8 13.755 -3.333 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.013 -5.487 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.063 -4.108 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.494 -5.198 -0.688 1.00 0.00 H new ATOM 106 N GLY A 9 12.595 -4.952 0.234 1.00 0.00 N ATOM 107 CA GLY A 9 11.445 -5.720 0.706 1.00 0.00 C ATOM 108 C GLY A 9 10.100 -5.081 0.356 1.00 0.00 C ATOM 109 O GLY A 9 9.121 -5.783 0.092 1.00 0.00 O ATOM 0 H GLY A 9 13.221 -4.630 0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.486 -6.721 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.514 -5.834 1.788 1.00 0.00 H new ATOM 113 N LEU A 10 10.048 -3.746 0.356 1.00 0.00 N ATOM 114 CA LEU A 10 8.820 -3.016 0.009 1.00 0.00 C ATOM 115 C LEU A 10 8.560 -3.081 -1.504 1.00 0.00 C ATOM 116 O LEU A 10 7.434 -3.300 -1.952 1.00 0.00 O ATOM 117 CB LEU A 10 8.919 -1.553 0.465 1.00 0.00 C ATOM 118 CG LEU A 10 7.631 -0.728 0.307 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.502 -1.322 1.154 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.877 0.735 0.680 1.00 0.00 C ATOM 0 H LEU A 10 10.839 -3.147 0.592 1.00 0.00 H new ATOM 0 HA LEU A 10 7.985 -3.489 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.216 -1.536 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.714 -1.066 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 10 7.327 -0.765 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.599 -0.724 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.307 -2.345 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.795 -1.320 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.953 1.301 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.209 0.795 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.645 1.152 0.028 1.00 0.00 H new ATOM 132 N GLU A 11 9.621 -2.887 -2.280 1.00 0.00 N ATOM 133 CA GLU A 11 9.561 -3.031 -3.738 1.00 0.00 C ATOM 134 C GLU A 11 9.118 -4.457 -4.122 1.00 0.00 C ATOM 135 O GLU A 11 8.369 -4.654 -5.082 1.00 0.00 O ATOM 136 CB GLU A 11 10.937 -2.678 -4.335 1.00 0.00 C ATOM 137 CG GLU A 11 11.035 -2.770 -5.860 1.00 0.00 C ATOM 138 CD GLU A 11 11.553 -4.117 -6.345 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.704 -4.472 -6.002 1.00 0.00 O ATOM 140 OE2 GLU A 11 10.825 -4.824 -7.071 1.00 0.00 O ATOM 0 H GLU A 11 10.541 -2.628 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 11 8.819 -2.346 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.196 -1.664 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.684 -3.341 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.051 -2.589 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.694 -1.982 -6.224 1.00 0.00 H new ATOM 147 N GLU A 12 9.566 -5.442 -3.338 1.00 0.00 N ATOM 148 CA GLU A 12 9.137 -6.837 -3.511 1.00 0.00 C ATOM 149 C GLU A 12 7.649 -7.012 -3.179 1.00 0.00 C ATOM 150 O GLU A 12 6.897 -7.576 -3.966 1.00 0.00 O ATOM 151 CB GLU A 12 9.971 -7.777 -2.622 1.00 0.00 C ATOM 152 CG GLU A 12 9.468 -9.224 -2.619 1.00 0.00 C ATOM 153 CD GLU A 12 10.298 -10.148 -1.741 1.00 0.00 C ATOM 154 OE1 GLU A 12 10.281 -9.982 -0.503 1.00 0.00 O ATOM 155 OE2 GLU A 12 10.972 -11.049 -2.285 1.00 0.00 O ATOM 0 H GLU A 12 10.228 -5.301 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 12 9.293 -7.095 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.006 -7.762 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.966 -7.397 -1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.433 -9.241 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.472 -9.605 -3.640 1.00 0.00 H new ATOM 162 N SER A 13 7.229 -6.527 -2.007 1.00 0.00 N ATOM 163 CA SER A 13 5.836 -6.689 -1.558 1.00 0.00 C ATOM 164 C SER A 13 4.843 -6.024 -2.523 1.00 0.00 C ATOM 165 O SER A 13 3.798 -6.598 -2.840 1.00 0.00 O ATOM 166 CB SER A 13 5.642 -6.123 -0.147 1.00 0.00 C ATOM 167 OG SER A 13 5.968 -4.744 -0.091 1.00 0.00 O ATOM 0 H SER A 13 7.826 -6.021 -1.353 1.00 0.00 H new ATOM 0 HA SER A 13 5.633 -7.760 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.607 -6.266 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.266 -6.674 0.556 1.00 0.00 H new ATOM 0 HG SER A 13 6.535 -4.511 -0.855 1.00 0.00 H new ATOM 173 N PHE A 14 5.166 -4.812 -2.985 1.00 0.00 N ATOM 174 CA PHE A 14 4.347 -4.128 -3.993 1.00 0.00 C ATOM 175 C PHE A 14 4.222 -4.988 -5.257 1.00 0.00 C ATOM 176 O PHE A 14 3.121 -5.308 -5.699 1.00 0.00 O ATOM 177 CB PHE A 14 4.948 -2.759 -4.356 1.00 0.00 C ATOM 178 CG PHE A 14 4.164 -2.032 -5.424 1.00 0.00 C ATOM 179 CD1 PHE A 14 2.999 -1.352 -5.102 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.577 -2.047 -6.751 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.264 -0.701 -6.074 1.00 0.00 C ATOM 182 CE2 PHE A 14 3.842 -1.401 -7.728 1.00 0.00 C ATOM 183 CZ PHE A 14 2.684 -0.726 -7.388 1.00 0.00 C ATOM 0 H PHE A 14 5.985 -4.286 -2.679 1.00 0.00 H new ATOM 0 HA PHE A 14 3.356 -3.972 -3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.992 -2.139 -3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.974 -2.898 -4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.661 -1.331 -4.076 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.483 -2.569 -7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.361 -0.173 -5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.172 -1.424 -8.756 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.110 -0.219 -8.149 1.00 0.00 H new ATOM 193 N ARG A 15 5.365 -5.361 -5.824 1.00 0.00 N ATOM 194 CA ARG A 15 5.409 -6.234 -7.002 1.00 0.00 C ATOM 195 C ARG A 15 4.685 -7.569 -6.744 1.00 0.00 C ATOM 196 O ARG A 15 4.045 -8.122 -7.637 1.00 0.00 O ATOM 197 CB ARG A 15 6.881 -6.447 -7.419 1.00 0.00 C ATOM 198 CG ARG A 15 7.165 -7.692 -8.265 1.00 0.00 C ATOM 199 CD ARG A 15 7.533 -8.892 -7.394 1.00 0.00 C ATOM 200 NE ARG A 15 7.930 -10.054 -8.186 1.00 0.00 N ATOM 201 CZ ARG A 15 9.156 -10.499 -8.268 1.00 0.00 C ATOM 202 NH1 ARG A 15 10.126 -9.872 -7.681 1.00 0.00 N ATOM 203 NH2 ARG A 15 9.415 -11.569 -8.940 1.00 0.00 N ATOM 0 H ARG A 15 6.283 -5.072 -5.486 1.00 0.00 H new ATOM 0 HA ARG A 15 4.878 -5.754 -7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.211 -5.570 -7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.490 -6.498 -6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.287 -7.933 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.979 -7.483 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.348 -8.616 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.682 -9.157 -6.767 1.00 0.00 H new ATOM 0 HE ARG A 15 7.206 -10.548 -8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.936 -9.023 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.079 -10.228 -7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.662 -12.071 -9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.373 -11.913 -9.002 1.00 0.00 H new ATOM 217 N LYS A 16 4.773 -8.061 -5.511 1.00 0.00 N ATOM 218 CA LYS A 16 4.147 -9.332 -5.124 1.00 0.00 C ATOM 219 C LYS A 16 2.616 -9.269 -5.232 1.00 0.00 C ATOM 220 O LYS A 16 1.984 -10.162 -5.801 1.00 0.00 O ATOM 221 CB LYS A 16 4.572 -9.703 -3.695 1.00 0.00 C ATOM 222 CG LYS A 16 3.927 -10.978 -3.153 1.00 0.00 C ATOM 223 CD LYS A 16 4.593 -11.451 -1.860 1.00 0.00 C ATOM 224 CE LYS A 16 6.066 -11.807 -2.073 1.00 0.00 C ATOM 225 NZ LYS A 16 6.239 -12.882 -3.089 1.00 0.00 N ATOM 0 H LYS A 16 5.275 -7.598 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 16 4.488 -10.103 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.655 -9.820 -3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.326 -8.875 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.867 -10.799 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.993 -11.765 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.514 -10.669 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.061 -12.321 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.612 -10.918 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.502 -12.129 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.217 -13.234 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.583 -13.663 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.038 -12.501 -4.035 1.00 0.00 H new ATOM 239 N PHE A 17 2.020 -8.215 -4.680 1.00 0.00 N ATOM 240 CA PHE A 17 0.575 -8.008 -4.796 1.00 0.00 C ATOM 241 C PHE A 17 0.194 -7.455 -6.182 1.00 0.00 C ATOM 242 O PHE A 17 -0.935 -7.622 -6.630 1.00 0.00 O ATOM 243 CB PHE A 17 0.061 -7.085 -3.680 1.00 0.00 C ATOM 244 CG PHE A 17 -0.105 -7.781 -2.352 1.00 0.00 C ATOM 245 CD1 PHE A 17 -1.290 -8.437 -2.051 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.913 -7.778 -1.411 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.457 -9.076 -0.839 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.751 -8.417 -0.194 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.437 -9.066 0.091 1.00 0.00 C ATOM 0 H PHE A 17 2.510 -7.494 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 17 0.094 -8.980 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.754 -6.252 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.897 -6.662 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.092 -8.448 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.842 -7.272 -1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.385 -9.583 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.551 -8.409 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.566 -9.564 1.040 1.00 0.00 H new ATOM 259 N ALA A 18 1.140 -6.813 -6.864 1.00 0.00 N ATOM 260 CA ALA A 18 0.901 -6.315 -8.223 1.00 0.00 C ATOM 261 C ALA A 18 0.705 -7.476 -9.211 1.00 0.00 C ATOM 262 O ALA A 18 -0.246 -7.487 -9.994 1.00 0.00 O ATOM 263 CB ALA A 18 2.052 -5.417 -8.663 1.00 0.00 C ATOM 0 H ALA A 18 2.075 -6.625 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.017 -5.727 -8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.864 -5.053 -9.673 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.134 -4.570 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.982 -5.985 -8.649 1.00 0.00 H new ATOM 269 N ILE A 19 1.600 -8.463 -9.153 1.00 0.00 N ATOM 270 CA ILE A 19 1.513 -9.643 -10.026 1.00 0.00 C ATOM 271 C ILE A 19 0.609 -10.736 -9.425 1.00 0.00 C ATOM 272 O ILE A 19 0.450 -11.810 -10.013 1.00 0.00 O ATOM 273 CB ILE A 19 2.915 -10.252 -10.298 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.502 -10.866 -9.012 1.00 0.00 C ATOM 275 CG2 ILE A 19 3.855 -9.191 -10.871 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.855 -11.519 -9.206 1.00 0.00 C ATOM 0 H ILE A 19 2.394 -8.472 -8.513 1.00 0.00 H new ATOM 0 HA ILE A 19 1.078 -9.296 -10.963 1.00 0.00 H new ATOM 0 HB ILE A 19 2.808 -11.049 -11.034 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.591 -10.086 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.804 -11.608 -8.624 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.834 -9.634 -11.056 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.446 -8.810 -11.807 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.956 -8.372 -10.159 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.201 -11.927 -8.257 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.770 -12.323 -9.937 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.569 -10.777 -9.564 1.00 0.00 H new ATOM 288 N HIS A 20 0.026 -10.455 -8.256 1.00 0.00 N ATOM 289 CA HIS A 20 -0.830 -11.419 -7.546 1.00 0.00 C ATOM 290 C HIS A 20 -1.933 -11.986 -8.462 1.00 0.00 C ATOM 291 O HIS A 20 -2.988 -11.376 -8.651 1.00 0.00 O ATOM 292 CB HIS A 20 -1.447 -10.759 -6.302 1.00 0.00 C ATOM 293 CG HIS A 20 -2.353 -11.656 -5.515 1.00 0.00 C ATOM 294 ND1 HIS A 20 -3.704 -11.425 -5.382 1.00 0.00 N ATOM 295 CD2 HIS A 20 -2.097 -12.780 -4.800 1.00 0.00 C ATOM 296 CE1 HIS A 20 -4.238 -12.362 -4.625 1.00 0.00 C ATOM 297 NE2 HIS A 20 -3.287 -13.193 -4.261 1.00 0.00 N ATOM 0 H HIS A 20 0.131 -9.561 -7.776 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.205 -12.256 -7.234 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.643 -10.413 -5.652 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.008 -9.877 -6.613 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.213 -10.648 -5.804 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.137 -13.259 -4.679 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.280 -12.435 -4.350 1.00 0.00 H new ATOM 306 N GLY A 21 -1.668 -13.161 -9.020 1.00 0.00 N ATOM 307 CA GLY A 21 -2.572 -13.779 -9.984 1.00 0.00 C ATOM 308 C GLY A 21 -1.826 -14.345 -11.188 1.00 0.00 C ATOM 309 O GLY A 21 -2.010 -15.509 -11.559 1.00 0.00 O ATOM 0 H GLY A 21 -0.830 -13.708 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.131 -14.578 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.300 -13.041 -10.323 1.00 0.00 H new ATOM 313 N ASP A 22 -0.966 -13.524 -11.786 1.00 0.00 N ATOM 314 CA ASP A 22 -0.160 -13.934 -12.943 1.00 0.00 C ATOM 315 C ASP A 22 1.341 -13.662 -12.705 1.00 0.00 C ATOM 316 O ASP A 22 1.773 -12.509 -12.677 1.00 0.00 O ATOM 317 CB ASP A 22 -0.618 -13.193 -14.206 1.00 0.00 C ATOM 318 CG ASP A 22 -2.052 -13.512 -14.587 1.00 0.00 C ATOM 319 OD1 ASP A 22 -2.274 -14.519 -15.292 1.00 0.00 O ATOM 320 OD2 ASP A 22 -2.966 -12.758 -14.194 1.00 0.00 O ATOM 0 H ASP A 22 -0.806 -12.562 -11.488 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.303 -15.006 -13.079 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.519 -12.119 -14.048 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.040 -13.455 -15.034 1.00 0.00 H new ATOM 325 N PRO A 23 2.164 -14.722 -12.555 1.00 0.00 N ATOM 326 CA PRO A 23 3.622 -14.576 -12.358 1.00 0.00 C ATOM 327 C PRO A 23 4.334 -14.041 -13.615 1.00 0.00 C ATOM 328 O PRO A 23 5.538 -13.782 -13.607 1.00 0.00 O ATOM 329 CB PRO A 23 4.076 -16.007 -12.036 1.00 0.00 C ATOM 330 CG PRO A 23 3.054 -16.880 -12.684 1.00 0.00 C ATOM 331 CD PRO A 23 1.748 -16.138 -12.560 1.00 0.00 C ATOM 0 HA PRO A 23 3.863 -13.854 -11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.073 -16.205 -12.429 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.118 -16.177 -10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.302 -17.064 -13.729 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.001 -17.852 -12.193 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.079 -16.358 -13.392 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.218 -16.405 -11.646 1.00 0.00 H new ATOM 339 N LYS A 24 3.571 -13.895 -14.698 1.00 0.00 N ATOM 340 CA LYS A 24 4.083 -13.348 -15.961 1.00 0.00 C ATOM 341 C LYS A 24 3.854 -11.831 -16.062 1.00 0.00 C ATOM 342 O LYS A 24 4.213 -11.206 -17.063 1.00 0.00 O ATOM 343 CB LYS A 24 3.401 -14.053 -17.142 1.00 0.00 C ATOM 344 CG LYS A 24 1.876 -14.012 -17.077 1.00 0.00 C ATOM 345 CD LYS A 24 1.235 -14.751 -18.245 1.00 0.00 C ATOM 346 CE LYS A 24 -0.267 -14.928 -18.054 1.00 0.00 C ATOM 347 NZ LYS A 24 -0.878 -15.691 -19.173 1.00 0.00 N ATOM 0 H LYS A 24 2.584 -14.150 -14.728 1.00 0.00 H new ATOM 0 HA LYS A 24 5.158 -13.525 -15.990 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.730 -13.588 -18.071 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.728 -15.092 -17.172 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.541 -14.456 -16.139 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.541 -12.975 -17.076 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.421 -14.201 -19.168 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.704 -15.729 -18.357 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.455 -15.447 -17.114 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.742 -13.950 -17.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.900 -15.791 -19.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.720 -15.183 -20.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.442 -16.634 -19.229 1.00 0.00 H new ATOM 361 N ALA A 25 3.249 -11.244 -15.033 1.00 0.00 N ATOM 362 CA ALA A 25 2.956 -9.807 -15.025 1.00 0.00 C ATOM 363 C ALA A 25 4.197 -8.971 -14.658 1.00 0.00 C ATOM 364 O ALA A 25 5.145 -9.473 -14.049 1.00 0.00 O ATOM 365 CB ALA A 25 1.810 -9.512 -14.063 1.00 0.00 C ATOM 0 H ALA A 25 2.951 -11.738 -14.192 1.00 0.00 H new ATOM 0 HA ALA A 25 2.659 -9.522 -16.034 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.600 -8.442 -14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.920 -10.057 -14.379 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.089 -9.826 -13.057 1.00 0.00 H new ATOM 371 N SER A 26 4.178 -7.692 -15.033 1.00 0.00 N ATOM 372 CA SER A 26 5.306 -6.781 -14.776 1.00 0.00 C ATOM 373 C SER A 26 5.496 -6.504 -13.271 1.00 0.00 C ATOM 374 O SER A 26 6.466 -6.967 -12.665 1.00 0.00 O ATOM 375 CB SER A 26 5.097 -5.467 -15.538 1.00 0.00 C ATOM 376 OG SER A 26 3.819 -4.911 -15.264 1.00 0.00 O ATOM 0 H SER A 26 3.393 -7.257 -15.518 1.00 0.00 H new ATOM 0 HA SER A 26 6.214 -7.268 -15.131 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.874 -4.755 -15.259 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.197 -5.645 -16.609 1.00 0.00 H new ATOM 0 HG SER A 26 3.713 -4.073 -15.761 1.00 0.00 H new ATOM 382 N GLY A 27 4.578 -5.740 -12.673 1.00 0.00 N ATOM 383 CA GLY A 27 4.618 -5.504 -11.225 1.00 0.00 C ATOM 384 C GLY A 27 5.003 -4.078 -10.820 1.00 0.00 C ATOM 385 O GLY A 27 5.322 -3.830 -9.659 1.00 0.00 O ATOM 0 H GLY A 27 3.808 -5.280 -13.159 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.639 -5.734 -10.806 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.328 -6.199 -10.777 1.00 0.00 H new ATOM 389 N GLN A 28 4.974 -3.137 -11.766 1.00 0.00 N ATOM 390 CA GLN A 28 5.259 -1.724 -11.460 1.00 0.00 C ATOM 391 C GLN A 28 3.962 -0.916 -11.269 1.00 0.00 C ATOM 392 O GLN A 28 3.995 0.305 -11.080 1.00 0.00 O ATOM 393 CB GLN A 28 6.126 -1.092 -12.565 1.00 0.00 C ATOM 394 CG GLN A 28 7.574 -1.586 -12.577 1.00 0.00 C ATOM 395 CD GLN A 28 7.712 -3.045 -12.985 1.00 0.00 C ATOM 396 OE1 GLN A 28 6.943 -3.557 -13.792 1.00 0.00 O ATOM 397 NE2 GLN A 28 8.689 -3.728 -12.423 1.00 0.00 N ATOM 0 H GLN A 28 4.758 -3.321 -12.746 1.00 0.00 H new ATOM 0 HA GLN A 28 5.813 -1.696 -10.522 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.673 -1.303 -13.534 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.123 -0.009 -12.440 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.155 -0.969 -13.262 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.004 -1.452 -11.584 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.311 -3.272 -11.756 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.823 -4.712 -12.656 1.00 0.00 H new ATOM 406 N GLU A 29 2.825 -1.611 -11.319 1.00 0.00 N ATOM 407 CA GLU A 29 1.505 -1.004 -11.102 1.00 0.00 C ATOM 408 C GLU A 29 0.562 -1.984 -10.376 1.00 0.00 C ATOM 409 O GLU A 29 0.603 -3.190 -10.618 1.00 0.00 O ATOM 410 CB GLU A 29 0.890 -0.569 -12.445 1.00 0.00 C ATOM 411 CG GLU A 29 1.425 0.758 -12.974 1.00 0.00 C ATOM 412 CD GLU A 29 0.926 1.094 -14.373 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.529 0.611 -15.356 1.00 0.00 O ATOM 414 OE2 GLU A 29 -0.065 1.847 -14.500 1.00 0.00 O ATOM 0 H GLU A 29 2.790 -2.612 -11.511 1.00 0.00 H new ATOM 0 HA GLU A 29 1.634 -0.124 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.077 -1.346 -13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.191 -0.493 -12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.136 1.557 -12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.514 0.725 -12.983 1.00 0.00 H new ATOM 421 N MET A 30 -0.285 -1.458 -9.489 1.00 0.00 N ATOM 422 CA MET A 30 -1.198 -2.288 -8.688 1.00 0.00 C ATOM 423 C MET A 30 -2.653 -1.790 -8.771 1.00 0.00 C ATOM 424 O MET A 30 -2.914 -0.586 -8.766 1.00 0.00 O ATOM 425 CB MET A 30 -0.736 -2.301 -7.224 1.00 0.00 C ATOM 426 CG MET A 30 -1.620 -3.131 -6.301 1.00 0.00 C ATOM 427 SD MET A 30 -1.054 -3.110 -4.590 1.00 0.00 S ATOM 428 CE MET A 30 0.585 -3.801 -4.771 1.00 0.00 C ATOM 0 H MET A 30 -0.360 -0.458 -9.304 1.00 0.00 H new ATOM 0 HA MET A 30 -1.171 -3.298 -9.096 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.282 -2.687 -7.179 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.705 -1.276 -6.855 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.641 -2.753 -6.346 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.645 -4.160 -6.658 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.081 -3.821 -3.800 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.511 -4.816 -5.161 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.164 -3.188 -5.462 1.00 0.00 H new ATOM 438 N ASN A 31 -3.600 -2.729 -8.839 1.00 0.00 N ATOM 439 CA ASN A 31 -5.032 -2.396 -8.893 1.00 0.00 C ATOM 440 C ASN A 31 -5.672 -2.383 -7.490 1.00 0.00 C ATOM 441 O ASN A 31 -5.110 -2.913 -6.529 1.00 0.00 O ATOM 442 CB ASN A 31 -5.774 -3.386 -9.807 1.00 0.00 C ATOM 443 CG ASN A 31 -5.537 -4.842 -9.427 1.00 0.00 C ATOM 444 OD1 ASN A 31 -5.302 -5.170 -8.271 1.00 0.00 O ATOM 445 ND2 ASN A 31 -5.603 -5.730 -10.398 1.00 0.00 N ATOM 0 H ASN A 31 -3.403 -3.730 -8.858 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.121 -1.390 -9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.843 -3.176 -9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.455 -3.229 -10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.457 -6.719 -10.196 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.800 -5.429 -11.352 1.00 0.00 H new ATOM 452 N GLY A 32 -6.861 -1.785 -7.388 1.00 0.00 N ATOM 453 CA GLY A 32 -7.575 -1.720 -6.111 1.00 0.00 C ATOM 454 C GLY A 32 -7.933 -3.094 -5.551 1.00 0.00 C ATOM 455 O GLY A 32 -8.084 -3.261 -4.342 1.00 0.00 O ATOM 0 H GLY A 32 -7.347 -1.342 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.960 -1.188 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.488 -1.139 -6.242 1.00 0.00 H new ATOM 459 N LYS A 33 -8.066 -4.078 -6.438 1.00 0.00 N ATOM 460 CA LYS A 33 -8.349 -5.461 -6.042 1.00 0.00 C ATOM 461 C LYS A 33 -7.253 -6.017 -5.110 1.00 0.00 C ATOM 462 O LYS A 33 -7.527 -6.443 -3.982 1.00 0.00 O ATOM 463 CB LYS A 33 -8.472 -6.330 -7.301 1.00 0.00 C ATOM 464 CG LYS A 33 -8.684 -7.817 -7.031 1.00 0.00 C ATOM 465 CD LYS A 33 -8.781 -8.610 -8.334 1.00 0.00 C ATOM 466 CE LYS A 33 -8.929 -10.105 -8.080 1.00 0.00 C ATOM 467 NZ LYS A 33 -9.037 -10.881 -9.344 1.00 0.00 N ATOM 0 H LYS A 33 -7.982 -3.943 -7.446 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.287 -5.480 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.304 -5.961 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.569 -6.208 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.860 -8.201 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.595 -7.957 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.633 -8.254 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.890 -8.430 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.072 -10.461 -7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.815 -10.282 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.136 -11.892 -9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.870 -10.560 -9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.181 -10.734 -9.916 1.00 0.00 H new ATOM 481 N ASN A 34 -6.010 -6.001 -5.589 1.00 0.00 N ATOM 482 CA ASN A 34 -4.873 -6.484 -4.805 1.00 0.00 C ATOM 483 C ASN A 34 -4.466 -5.473 -3.722 1.00 0.00 C ATOM 484 O ASN A 34 -3.908 -5.851 -2.699 1.00 0.00 O ATOM 485 CB ASN A 34 -3.686 -6.796 -5.724 1.00 0.00 C ATOM 486 CG ASN A 34 -3.977 -7.952 -6.672 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.718 -8.876 -6.342 1.00 0.00 O ATOM 488 ND2 ASN A 34 -3.387 -7.922 -7.849 1.00 0.00 N ATOM 0 H ASN A 34 -5.764 -5.658 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.179 -7.401 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.435 -5.908 -6.304 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.813 -7.038 -5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.540 -8.679 -8.515 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.778 -7.142 -8.094 1.00 0.00 H new ATOM 495 N TRP A 35 -4.752 -4.191 -3.953 1.00 0.00 N ATOM 496 CA TRP A 35 -4.535 -3.144 -2.940 1.00 0.00 C ATOM 497 C TRP A 35 -5.407 -3.395 -1.696 1.00 0.00 C ATOM 498 O TRP A 35 -4.936 -3.306 -0.557 1.00 0.00 O ATOM 499 CB TRP A 35 -4.843 -1.763 -3.547 1.00 0.00 C ATOM 500 CG TRP A 35 -4.934 -0.641 -2.547 1.00 0.00 C ATOM 501 CD1 TRP A 35 -6.050 0.083 -2.235 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.875 -0.116 -1.731 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.750 1.030 -1.288 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.425 0.926 -0.958 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.521 -0.425 -1.577 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.667 1.661 -0.052 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.769 0.308 -0.674 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.345 1.337 0.081 1.00 0.00 C ATOM 0 H TRP A 35 -5.136 -3.847 -4.833 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.491 -3.170 -2.627 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.069 -1.521 -4.275 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.785 -1.823 -4.092 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.027 -0.068 -2.671 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.408 1.703 -0.894 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.069 -1.220 -2.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.107 2.460 0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.720 0.082 -0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.733 1.886 0.782 1.00 0.00 H new ATOM 519 N ALA A 36 -6.678 -3.716 -1.926 1.00 0.00 N ATOM 520 CA ALA A 36 -7.600 -4.055 -0.840 1.00 0.00 C ATOM 521 C ALA A 36 -7.125 -5.304 -0.080 1.00 0.00 C ATOM 522 O ALA A 36 -7.117 -5.331 1.152 1.00 0.00 O ATOM 523 CB ALA A 36 -9.009 -4.265 -1.387 1.00 0.00 C ATOM 0 H ALA A 36 -7.095 -3.749 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.618 -3.222 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.683 -4.516 -0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.351 -3.350 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.000 -5.078 -2.113 1.00 0.00 H new ATOM 529 N LYS A 37 -6.717 -6.334 -0.823 1.00 0.00 N ATOM 530 CA LYS A 37 -6.188 -7.554 -0.219 1.00 0.00 C ATOM 531 C LYS A 37 -4.825 -7.311 0.450 1.00 0.00 C ATOM 532 O LYS A 37 -4.500 -7.946 1.447 1.00 0.00 O ATOM 533 CB LYS A 37 -6.085 -8.653 -1.279 1.00 0.00 C ATOM 534 CG LYS A 37 -7.438 -9.035 -1.877 1.00 0.00 C ATOM 535 CD LYS A 37 -7.344 -10.225 -2.831 1.00 0.00 C ATOM 536 CE LYS A 37 -8.704 -10.555 -3.439 1.00 0.00 C ATOM 537 NZ LYS A 37 -8.659 -11.768 -4.299 1.00 0.00 N ATOM 0 H LYS A 37 -6.743 -6.346 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.877 -7.875 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.422 -8.319 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.628 -9.537 -0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.133 -9.274 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.850 -8.178 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.632 -10.002 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.962 -11.094 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.430 -10.706 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.051 -9.707 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.605 -11.952 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.987 -11.617 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.354 -12.585 -3.732 1.00 0.00 H new ATOM 551 N LEU A 38 -4.043 -6.377 -0.093 1.00 0.00 N ATOM 552 CA LEU A 38 -2.736 -6.024 0.477 1.00 0.00 C ATOM 553 C LEU A 38 -2.892 -5.551 1.926 1.00 0.00 C ATOM 554 O LEU A 38 -2.287 -6.106 2.848 1.00 0.00 O ATOM 555 CB LEU A 38 -2.063 -4.930 -0.386 1.00 0.00 C ATOM 556 CG LEU A 38 -0.596 -4.572 -0.041 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.076 -3.878 -1.220 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.511 -3.681 1.200 1.00 0.00 C ATOM 0 H LEU A 38 -4.290 -5.848 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.100 -6.909 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.099 -5.249 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.661 -4.022 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.075 -5.505 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.106 -3.634 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.068 -4.541 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.465 -2.962 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.533 -3.450 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.058 -2.755 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.947 -4.202 2.052 1.00 0.00 H new ATOM 570 N CYS A 39 -3.714 -4.521 2.121 1.00 0.00 N ATOM 571 CA CYS A 39 -3.946 -3.955 3.455 1.00 0.00 C ATOM 572 C CYS A 39 -4.619 -4.970 4.391 1.00 0.00 C ATOM 573 O CYS A 39 -4.328 -5.010 5.589 1.00 0.00 O ATOM 574 CB CYS A 39 -4.800 -2.684 3.359 1.00 0.00 C ATOM 575 SG CYS A 39 -6.449 -2.948 2.669 1.00 0.00 S ATOM 0 H CYS A 39 -4.232 -4.059 1.374 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.973 -3.701 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.900 -2.251 4.354 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.275 -1.953 2.745 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.451 -4.032 1.951 1.00 0.00 H new ATOM 581 N LYS A 40 -5.514 -5.794 3.843 1.00 0.00 N ATOM 582 CA LYS A 40 -6.201 -6.825 4.635 1.00 0.00 C ATOM 583 C LYS A 40 -5.229 -7.931 5.083 1.00 0.00 C ATOM 584 O LYS A 40 -5.285 -8.397 6.223 1.00 0.00 O ATOM 585 CB LYS A 40 -7.357 -7.444 3.833 1.00 0.00 C ATOM 586 CG LYS A 40 -8.227 -8.403 4.649 1.00 0.00 C ATOM 587 CD LYS A 40 -9.376 -8.987 3.824 1.00 0.00 C ATOM 588 CE LYS A 40 -8.879 -9.926 2.728 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.005 -10.579 2.009 1.00 0.00 N ATOM 0 H LYS A 40 -5.782 -5.771 2.859 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.602 -6.339 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.984 -6.644 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.948 -7.979 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.609 -9.215 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.633 -7.876 5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.056 -9.528 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.947 -8.175 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.270 -9.366 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.236 -10.689 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.628 -11.209 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.572 -11.134 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.604 -9.852 1.569 1.00 0.00 H new ATOM 603 N ASP A 41 -4.337 -8.343 4.184 1.00 0.00 N ATOM 604 CA ASP A 41 -3.363 -9.401 4.480 1.00 0.00 C ATOM 605 C ASP A 41 -2.243 -8.924 5.413 1.00 0.00 C ATOM 606 O ASP A 41 -1.698 -9.714 6.187 1.00 0.00 O ATOM 607 CB ASP A 41 -2.766 -9.958 3.183 1.00 0.00 C ATOM 608 CG ASP A 41 -3.761 -10.797 2.399 1.00 0.00 C ATOM 609 OD1 ASP A 41 -4.871 -11.050 2.908 1.00 0.00 O ATOM 610 OD2 ASP A 41 -3.415 -11.253 1.297 1.00 0.00 O ATOM 0 H ASP A 41 -4.266 -7.961 3.241 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.903 -10.192 5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.422 -9.132 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.892 -10.564 3.420 1.00 0.00 H new ATOM 615 N CYS A 42 -1.881 -7.647 5.318 1.00 0.00 N ATOM 616 CA CYS A 42 -0.918 -7.048 6.252 1.00 0.00 C ATOM 617 C CYS A 42 -1.640 -6.460 7.474 1.00 0.00 C ATOM 618 O CYS A 42 -1.006 -6.014 8.430 1.00 0.00 O ATOM 619 CB CYS A 42 -0.099 -5.956 5.556 1.00 0.00 C ATOM 620 SG CYS A 42 -1.086 -4.587 4.912 1.00 0.00 S ATOM 0 H CYS A 42 -2.235 -7.005 4.609 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.242 -7.834 6.589 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.633 -5.561 6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.460 -6.404 4.734 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.722 -4.974 3.846 1.00 0.00 H new ATOM 626 N LYS A 43 -2.976 -6.477 7.422 1.00 0.00 N ATOM 627 CA LYS A 43 -3.841 -5.976 8.496 1.00 0.00 C ATOM 628 C LYS A 43 -3.555 -4.513 8.875 1.00 0.00 C ATOM 629 O LYS A 43 -3.847 -4.084 9.994 1.00 0.00 O ATOM 630 CB LYS A 43 -3.745 -6.897 9.711 1.00 0.00 C ATOM 631 CG LYS A 43 -4.079 -8.342 9.363 1.00 0.00 C ATOM 632 CD LYS A 43 -4.119 -9.236 10.590 1.00 0.00 C ATOM 633 CE LYS A 43 -5.295 -8.895 11.507 1.00 0.00 C ATOM 634 NZ LYS A 43 -5.379 -9.810 12.677 1.00 0.00 N ATOM 0 H LYS A 43 -3.494 -6.844 6.623 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.863 -5.984 8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.737 -6.848 10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.425 -6.545 10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.044 -8.378 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.338 -8.725 8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.192 -10.278 10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.186 -9.134 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.194 -7.868 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.224 -8.948 10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.190 -9.542 13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.502 -10.788 12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.504 -9.741 13.235 1.00 0.00 H new ATOM 648 N VAL A 44 -3.012 -3.742 7.932 1.00 0.00 N ATOM 649 CA VAL A 44 -2.896 -2.290 8.099 1.00 0.00 C ATOM 650 C VAL A 44 -4.292 -1.651 8.095 1.00 0.00 C ATOM 651 O VAL A 44 -4.558 -0.708 8.842 1.00 0.00 O ATOM 652 CB VAL A 44 -2.025 -1.652 6.986 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.025 -0.126 7.092 1.00 0.00 C ATOM 654 CG2 VAL A 44 -0.597 -2.195 7.047 1.00 0.00 C ATOM 0 H VAL A 44 -2.647 -4.095 7.048 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.407 -2.104 9.055 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.459 -1.921 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.406 0.294 6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.045 0.246 6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.624 0.171 8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.001 -1.737 6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.160 -1.960 8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.613 -3.276 6.908 1.00 0.00 H new ATOM 664 N ALA A 45 -5.182 -2.184 7.258 1.00 0.00 N ATOM 665 CA ALA A 45 -6.592 -1.791 7.275 1.00 0.00 C ATOM 666 C ALA A 45 -7.251 -2.268 8.572 1.00 0.00 C ATOM 667 O ALA A 45 -7.368 -3.471 8.818 1.00 0.00 O ATOM 668 CB ALA A 45 -7.322 -2.362 6.064 1.00 0.00 C ATOM 0 H ALA A 45 -4.952 -2.890 6.559 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.654 -0.704 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.369 -2.059 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.861 -1.986 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.258 -3.450 6.081 1.00 0.00 H new ATOM 674 N ASP A 46 -7.684 -1.324 9.394 1.00 0.00 N ATOM 675 CA ASP A 46 -8.205 -1.630 10.725 1.00 0.00 C ATOM 676 C ASP A 46 -9.538 -0.915 10.953 1.00 0.00 C ATOM 677 O ASP A 46 -9.571 0.183 11.483 1.00 0.00 O ATOM 678 CB ASP A 46 -7.179 -1.231 11.796 1.00 0.00 C ATOM 679 CG ASP A 46 -7.659 -1.535 13.204 1.00 0.00 C ATOM 680 OD1 ASP A 46 -7.751 -2.731 13.554 1.00 0.00 O ATOM 681 OD2 ASP A 46 -7.953 -0.584 13.961 1.00 0.00 O ATOM 0 H ASP A 46 -7.686 -0.330 9.163 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.380 -2.703 10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.243 -1.759 11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.965 -0.166 11.711 1.00 0.00 H new ATOM 686 N GLY A 47 -10.613 -1.541 10.491 1.00 0.00 N ATOM 687 CA GLY A 47 -11.976 -1.004 10.624 1.00 0.00 C ATOM 688 C GLY A 47 -12.258 -0.188 11.896 1.00 0.00 C ATOM 689 O GLY A 47 -13.102 0.710 11.876 1.00 0.00 O ATOM 0 H GLY A 47 -10.572 -2.440 10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.183 -0.374 9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.678 -1.837 10.587 1.00 0.00 H new ATOM 693 N LYS A 48 -11.589 -0.506 13.007 1.00 0.00 N ATOM 694 CA LYS A 48 -11.722 0.292 14.239 1.00 0.00 C ATOM 695 C LYS A 48 -11.219 1.732 14.024 1.00 0.00 C ATOM 696 O LYS A 48 -11.849 2.699 14.457 1.00 0.00 O ATOM 697 CB LYS A 48 -10.949 -0.366 15.393 1.00 0.00 C ATOM 698 CG LYS A 48 -11.435 -1.774 15.738 1.00 0.00 C ATOM 699 CD LYS A 48 -10.624 -2.404 16.874 1.00 0.00 C ATOM 700 CE LYS A 48 -9.143 -2.525 16.522 1.00 0.00 C ATOM 701 NZ LYS A 48 -8.363 -3.237 17.573 1.00 0.00 N ATOM 0 H LYS A 48 -10.955 -1.301 13.084 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.780 0.332 14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.892 -0.411 15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.031 0.264 16.279 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.486 -1.734 16.023 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.369 -2.406 14.853 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.734 -1.801 17.775 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.025 -3.392 17.100 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.040 -3.056 15.576 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.725 -1.529 16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.365 -3.293 17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.437 -2.718 18.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.742 -4.198 17.696 1.00 0.00 H new ATOM 715 N SER A 49 -10.068 1.855 13.369 1.00 0.00 N ATOM 716 CA SER A 49 -9.485 3.162 13.022 1.00 0.00 C ATOM 717 C SER A 49 -9.594 3.462 11.511 1.00 0.00 C ATOM 718 O SER A 49 -10.138 4.493 11.106 1.00 0.00 O ATOM 719 CB SER A 49 -8.011 3.205 13.450 1.00 0.00 C ATOM 720 OG SER A 49 -7.386 4.410 13.046 1.00 0.00 O ATOM 0 H SER A 49 -9.509 1.059 13.062 1.00 0.00 H new ATOM 0 HA SER A 49 -10.052 3.926 13.555 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.943 3.105 14.533 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.481 2.357 13.017 1.00 0.00 H new ATOM 0 HG SER A 49 -6.450 4.406 13.335 1.00 0.00 H new ATOM 726 N VAL A 50 -9.068 2.556 10.684 1.00 0.00 N ATOM 727 CA VAL A 50 -9.055 2.724 9.222 1.00 0.00 C ATOM 728 C VAL A 50 -10.025 1.753 8.527 1.00 0.00 C ATOM 729 O VAL A 50 -9.771 0.551 8.467 1.00 0.00 O ATOM 730 CB VAL A 50 -7.637 2.479 8.650 1.00 0.00 C ATOM 731 CG1 VAL A 50 -7.603 2.767 7.147 1.00 0.00 C ATOM 732 CG2 VAL A 50 -6.601 3.319 9.397 1.00 0.00 C ATOM 0 H VAL A 50 -8.640 1.687 11.003 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.369 3.749 9.026 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.384 1.429 8.795 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.598 2.589 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.307 2.111 6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.880 3.806 6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.612 3.132 8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.845 4.376 9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.606 3.049 10.453 1.00 0.00 H new ATOM 742 N THR A 51 -11.120 2.275 7.982 1.00 0.00 N ATOM 743 CA THR A 51 -12.109 1.436 7.289 1.00 0.00 C ATOM 744 C THR A 51 -11.664 1.085 5.863 1.00 0.00 C ATOM 745 O THR A 51 -10.932 1.845 5.225 1.00 0.00 O ATOM 746 CB THR A 51 -13.488 2.129 7.210 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.398 3.315 6.402 1.00 0.00 O ATOM 748 CG2 THR A 51 -14.001 2.488 8.604 1.00 0.00 C ATOM 0 H THR A 51 -11.350 3.269 8.003 1.00 0.00 H new ATOM 0 HA THR A 51 -12.190 0.522 7.878 1.00 0.00 H new ATOM 0 HB THR A 51 -14.192 1.434 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.277 3.747 6.356 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.973 2.974 8.520 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.100 1.581 9.200 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.297 3.165 9.088 1.00 0.00 H new ATOM 756 N GLY A 52 -12.123 -0.064 5.364 1.00 0.00 N ATOM 757 CA GLY A 52 -11.826 -0.471 3.991 1.00 0.00 C ATOM 758 C GLY A 52 -12.265 0.569 2.963 1.00 0.00 C ATOM 759 O GLY A 52 -11.661 0.703 1.896 1.00 0.00 O ATOM 0 H GLY A 52 -12.698 -0.725 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.755 -0.646 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.324 -1.417 3.781 1.00 0.00 H new ATOM 763 N THR A 53 -13.330 1.301 3.288 1.00 0.00 N ATOM 764 CA THR A 53 -13.793 2.414 2.453 1.00 0.00 C ATOM 765 C THR A 53 -12.720 3.505 2.354 1.00 0.00 C ATOM 766 O THR A 53 -12.362 3.927 1.258 1.00 0.00 O ATOM 767 CB THR A 53 -15.108 3.033 2.992 1.00 0.00 C ATOM 768 OG1 THR A 53 -16.154 2.049 2.968 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.539 4.245 2.169 1.00 0.00 C ATOM 0 H THR A 53 -13.891 1.144 4.125 1.00 0.00 H new ATOM 0 HA THR A 53 -13.987 2.005 1.462 1.00 0.00 H new ATOM 0 HB THR A 53 -14.924 3.362 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.983 2.444 3.311 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.464 4.651 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.760 5.007 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.701 3.943 1.134 1.00 0.00 H new ATOM 777 N ASP A 54 -12.190 3.939 3.499 1.00 0.00 N ATOM 778 CA ASP A 54 -11.143 4.970 3.521 1.00 0.00 C ATOM 779 C ASP A 54 -9.915 4.525 2.706 1.00 0.00 C ATOM 780 O ASP A 54 -9.337 5.311 1.953 1.00 0.00 O ATOM 781 CB ASP A 54 -10.741 5.292 4.968 1.00 0.00 C ATOM 782 CG ASP A 54 -9.792 6.478 5.059 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.260 7.633 4.920 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.582 6.271 5.280 1.00 0.00 O ATOM 0 H ASP A 54 -12.465 3.597 4.420 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.544 5.873 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.637 5.502 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.268 4.417 5.413 1.00 0.00 H new ATOM 789 N VAL A 55 -9.541 3.252 2.844 1.00 0.00 N ATOM 790 CA VAL A 55 -8.443 2.670 2.055 1.00 0.00 C ATOM 791 C VAL A 55 -8.721 2.775 0.538 1.00 0.00 C ATOM 792 O VAL A 55 -7.805 2.990 -0.269 1.00 0.00 O ATOM 793 CB VAL A 55 -8.212 1.183 2.435 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.062 0.582 1.629 1.00 0.00 C ATOM 795 CG2 VAL A 55 -7.954 1.037 3.935 1.00 0.00 C ATOM 0 H VAL A 55 -9.980 2.600 3.494 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.545 3.242 2.287 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.120 0.632 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.922 -0.460 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.295 0.638 0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.147 1.139 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.795 -0.014 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.068 1.610 4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.814 1.411 4.490 1.00 0.00 H new ATOM 805 N ASP A 56 -9.994 2.644 0.160 1.00 0.00 N ATOM 806 CA ASP A 56 -10.403 2.734 -1.242 1.00 0.00 C ATOM 807 C ASP A 56 -10.340 4.191 -1.723 1.00 0.00 C ATOM 808 O ASP A 56 -9.933 4.474 -2.852 1.00 0.00 O ATOM 809 CB ASP A 56 -11.821 2.166 -1.401 1.00 0.00 C ATOM 810 CG ASP A 56 -12.327 2.226 -2.831 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.072 1.277 -3.604 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.990 3.223 -3.190 1.00 0.00 O ATOM 0 H ASP A 56 -10.762 2.474 0.809 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.720 2.147 -1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.832 1.131 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.503 2.721 -0.756 1.00 0.00 H new ATOM 817 N ILE A 57 -10.725 5.114 -0.844 1.00 0.00 N ATOM 818 CA ILE A 57 -10.673 6.544 -1.150 1.00 0.00 C ATOM 819 C ILE A 57 -9.228 6.994 -1.405 1.00 0.00 C ATOM 820 O ILE A 57 -8.948 7.708 -2.369 1.00 0.00 O ATOM 821 CB ILE A 57 -11.272 7.399 -0.003 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.636 6.830 0.425 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.396 8.863 -0.430 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.417 7.718 1.380 1.00 0.00 C ATOM 0 H ILE A 57 -11.077 4.897 0.088 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.270 6.697 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.599 7.358 0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.239 6.657 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.479 5.860 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.818 9.446 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.410 9.253 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.048 8.934 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.364 7.240 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.838 7.871 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.610 8.681 0.906 1.00 0.00 H new ATOM 836 N VAL A 58 -8.312 6.563 -0.537 1.00 0.00 N ATOM 837 CA VAL A 58 -6.889 6.877 -0.698 1.00 0.00 C ATOM 838 C VAL A 58 -6.368 6.370 -2.053 1.00 0.00 C ATOM 839 O VAL A 58 -5.627 7.068 -2.746 1.00 0.00 O ATOM 840 CB VAL A 58 -6.038 6.264 0.443 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.552 6.573 0.243 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.518 6.763 1.806 1.00 0.00 C ATOM 0 H VAL A 58 -8.528 5.997 0.283 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.794 7.962 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.164 5.182 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.976 6.132 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.218 6.155 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.403 7.653 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.906 6.320 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.431 7.849 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.560 6.477 1.952 1.00 0.00 H new ATOM 852 N PHE A 59 -6.780 5.161 -2.430 1.00 0.00 N ATOM 853 CA PHE A 59 -6.413 4.585 -3.731 1.00 0.00 C ATOM 854 C PHE A 59 -6.803 5.524 -4.887 1.00 0.00 C ATOM 855 O PHE A 59 -6.029 5.741 -5.822 1.00 0.00 O ATOM 856 CB PHE A 59 -7.092 3.219 -3.915 1.00 0.00 C ATOM 857 CG PHE A 59 -6.810 2.567 -5.251 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.668 1.802 -5.438 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.686 2.722 -6.320 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.407 1.208 -6.658 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.426 2.130 -7.541 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.285 1.373 -7.710 1.00 0.00 C ATOM 0 H PHE A 59 -7.369 4.558 -1.856 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.331 4.456 -3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.763 2.551 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.169 3.342 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.975 1.669 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.581 3.313 -6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.515 0.614 -6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.115 2.260 -8.362 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.079 0.910 -8.664 1.00 0.00 H new ATOM 872 N SER A 60 -8.009 6.085 -4.812 1.00 0.00 N ATOM 873 CA SER A 60 -8.521 6.964 -5.873 1.00 0.00 C ATOM 874 C SER A 60 -7.964 8.392 -5.751 1.00 0.00 C ATOM 875 O SER A 60 -8.033 9.171 -6.700 1.00 0.00 O ATOM 876 CB SER A 60 -10.056 7.007 -5.850 1.00 0.00 C ATOM 877 OG SER A 60 -10.545 7.753 -4.743 1.00 0.00 O ATOM 0 H SER A 60 -8.652 5.950 -4.031 1.00 0.00 H new ATOM 0 HA SER A 60 -8.185 6.547 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.421 7.449 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.448 5.991 -5.806 1.00 0.00 H new ATOM 0 HG SER A 60 -9.916 7.679 -3.995 1.00 0.00 H new ATOM 883 N LYS A 61 -7.429 8.740 -4.577 1.00 0.00 N ATOM 884 CA LYS A 61 -6.835 10.070 -4.362 1.00 0.00 C ATOM 885 C LYS A 61 -5.374 10.131 -4.833 1.00 0.00 C ATOM 886 O LYS A 61 -4.906 11.177 -5.289 1.00 0.00 O ATOM 887 CB LYS A 61 -6.943 10.488 -2.885 1.00 0.00 C ATOM 888 CG LYS A 61 -8.375 10.782 -2.439 1.00 0.00 C ATOM 889 CD LYS A 61 -9.031 11.832 -3.333 1.00 0.00 C ATOM 890 CE LYS A 61 -10.500 12.053 -2.986 1.00 0.00 C ATOM 891 NZ LYS A 61 -10.680 12.692 -1.657 1.00 0.00 N ATOM 0 H LYS A 61 -7.393 8.126 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.404 10.776 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.532 9.695 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.330 11.374 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.961 9.863 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.372 11.131 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.492 12.775 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.949 11.521 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.961 12.677 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.021 11.096 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.695 12.820 -1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.265 12.086 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.207 13.618 -1.650 1.00 0.00 H new ATOM 905 N VAL A 62 -4.649 9.021 -4.710 1.00 0.00 N ATOM 906 CA VAL A 62 -3.285 8.933 -5.252 1.00 0.00 C ATOM 907 C VAL A 62 -3.316 8.590 -6.754 1.00 0.00 C ATOM 908 O VAL A 62 -2.350 8.821 -7.479 1.00 0.00 O ATOM 909 CB VAL A 62 -2.429 7.886 -4.491 1.00 0.00 C ATOM 910 CG1 VAL A 62 -2.289 8.268 -3.018 1.00 0.00 C ATOM 911 CG2 VAL A 62 -3.021 6.483 -4.634 1.00 0.00 C ATOM 0 H VAL A 62 -4.975 8.174 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.822 9.911 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.435 7.877 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.685 7.520 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.805 9.242 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.276 8.315 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.401 5.769 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.031 6.471 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.053 6.207 -5.688 1.00 0.00 H new ATOM 921 N LYS A 63 -4.447 8.045 -7.202 1.00 0.00 N ATOM 922 CA LYS A 63 -4.666 7.704 -8.613 1.00 0.00 C ATOM 923 C LYS A 63 -4.594 8.940 -9.531 1.00 0.00 C ATOM 924 O LYS A 63 -5.273 9.943 -9.300 1.00 0.00 O ATOM 925 CB LYS A 63 -6.041 7.025 -8.767 1.00 0.00 C ATOM 926 CG LYS A 63 -6.559 6.965 -10.204 1.00 0.00 C ATOM 927 CD LYS A 63 -7.985 6.418 -10.271 1.00 0.00 C ATOM 928 CE LYS A 63 -8.029 4.915 -10.022 1.00 0.00 C ATOM 929 NZ LYS A 63 -7.381 4.162 -11.127 1.00 0.00 N ATOM 0 H LYS A 63 -5.240 7.826 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.869 7.025 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.977 6.010 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.767 7.559 -8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.531 7.963 -10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.900 6.336 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.604 6.927 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.412 6.637 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.528 4.686 -9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.065 4.592 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.943 3.315 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.322 4.767 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.424 3.876 -10.838 1.00 0.00 H new ATOM 943 N GLY A 64 -3.763 8.858 -10.570 1.00 0.00 N ATOM 944 CA GLY A 64 -3.743 9.894 -11.599 1.00 0.00 C ATOM 945 C GLY A 64 -4.989 9.845 -12.482 1.00 0.00 C ATOM 946 O GLY A 64 -5.577 8.776 -12.669 1.00 0.00 O ATOM 0 H GLY A 64 -3.103 8.095 -10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.671 10.874 -11.126 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.854 9.773 -12.218 1.00 0.00 H new ATOM 950 N LYS A 65 -5.386 10.986 -13.041 1.00 0.00 N ATOM 951 CA LYS A 65 -6.625 11.079 -13.830 1.00 0.00 C ATOM 952 C LYS A 65 -6.694 10.036 -14.963 1.00 0.00 C ATOM 953 O LYS A 65 -7.726 9.391 -15.160 1.00 0.00 O ATOM 954 CB LYS A 65 -6.783 12.493 -14.403 1.00 0.00 C ATOM 955 CG LYS A 65 -7.010 13.559 -13.336 1.00 0.00 C ATOM 956 CD LYS A 65 -7.216 14.942 -13.948 1.00 0.00 C ATOM 957 CE LYS A 65 -7.468 15.998 -12.880 1.00 0.00 C ATOM 958 NZ LYS A 65 -6.336 16.103 -11.919 1.00 0.00 N ATOM 0 H LYS A 65 -4.871 11.863 -12.965 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.449 10.863 -13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.890 12.747 -14.975 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.621 12.503 -15.100 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.881 13.294 -12.737 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.155 13.585 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.337 15.217 -14.531 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.060 14.913 -14.638 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.629 16.965 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.382 15.754 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.451 16.958 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.325 15.265 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.440 16.159 -12.443 1.00 0.00 H new ATOM 972 N SER A 66 -5.595 9.856 -15.691 1.00 0.00 N ATOM 973 CA SER A 66 -5.554 8.888 -16.805 1.00 0.00 C ATOM 974 C SER A 66 -5.028 7.517 -16.351 1.00 0.00 C ATOM 975 O SER A 66 -4.849 6.609 -17.163 1.00 0.00 O ATOM 976 CB SER A 66 -4.675 9.417 -17.943 1.00 0.00 C ATOM 977 OG SER A 66 -3.316 9.534 -17.537 1.00 0.00 O ATOM 0 H SER A 66 -4.721 10.360 -15.538 1.00 0.00 H new ATOM 0 HA SER A 66 -6.577 8.762 -17.159 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.744 8.747 -18.800 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.044 10.390 -18.268 1.00 0.00 H new ATOM 0 HG SER A 66 -2.779 9.872 -18.284 1.00 0.00 H new ATOM 983 N ALA A 67 -4.792 7.366 -15.051 1.00 0.00 N ATOM 984 CA ALA A 67 -4.258 6.117 -14.498 1.00 0.00 C ATOM 985 C ALA A 67 -5.380 5.134 -14.130 1.00 0.00 C ATOM 986 O ALA A 67 -6.214 5.419 -13.262 1.00 0.00 O ATOM 987 CB ALA A 67 -3.390 6.409 -13.279 1.00 0.00 C ATOM 0 H ALA A 67 -4.961 8.093 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.647 5.647 -15.269 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.000 5.474 -12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.560 7.054 -13.569 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.989 6.909 -12.517 1.00 0.00 H new ATOM 993 N ARG A 68 -5.398 3.976 -14.786 1.00 0.00 N ATOM 994 CA ARG A 68 -6.396 2.935 -14.501 1.00 0.00 C ATOM 995 C ARG A 68 -6.127 2.303 -13.125 1.00 0.00 C ATOM 996 O ARG A 68 -7.047 1.941 -12.391 1.00 0.00 O ATOM 997 CB ARG A 68 -6.362 1.859 -15.599 1.00 0.00 C ATOM 998 CG ARG A 68 -6.442 2.431 -17.011 1.00 0.00 C ATOM 999 CD ARG A 68 -6.364 1.343 -18.079 1.00 0.00 C ATOM 1000 NE ARG A 68 -7.594 0.559 -18.175 1.00 0.00 N ATOM 1001 CZ ARG A 68 -7.658 -0.645 -18.676 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -6.580 -1.278 -19.021 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -8.803 -1.233 -18.801 1.00 0.00 N ATOM 0 H ARG A 68 -4.734 3.730 -15.520 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.386 3.390 -14.486 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.444 1.280 -15.501 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.192 1.169 -15.447 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.375 2.984 -17.125 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.630 3.143 -17.160 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.154 1.802 -19.045 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.530 0.678 -17.854 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.457 0.979 -17.829 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.669 -0.836 -18.902 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.643 -2.218 -19.411 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.656 -0.756 -18.508 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.853 -2.174 -19.192 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.848 2.201 -12.779 1.00 0.00 N ATOM 1018 CA VAL A 69 -4.409 1.678 -11.478 1.00 0.00 C ATOM 1019 C VAL A 69 -3.496 2.697 -10.767 1.00 0.00 C ATOM 1020 O VAL A 69 -3.528 3.886 -11.084 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.654 0.339 -11.660 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -4.566 -0.731 -12.251 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.426 0.531 -12.539 1.00 0.00 C ATOM 0 H VAL A 69 -4.080 2.478 -13.390 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.293 1.506 -10.864 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.330 0.002 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.009 -1.660 -12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.412 -0.897 -11.584 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.930 -0.402 -13.224 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.909 -0.422 -12.655 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.733 0.899 -13.518 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.755 1.254 -12.074 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.711 2.246 -9.784 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.704 3.108 -9.144 1.00 0.00 C ATOM 1035 C ILE A 70 -0.288 2.533 -9.314 1.00 0.00 C ATOM 1036 O ILE A 70 -0.105 1.320 -9.412 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.986 3.321 -7.632 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.924 1.983 -6.868 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -3.342 4.003 -7.434 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -2.045 2.130 -5.362 1.00 0.00 C ATOM 0 H ILE A 70 -2.750 1.296 -9.414 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.769 4.073 -9.647 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.212 3.973 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.723 1.334 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.982 1.486 -7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.526 4.146 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.339 4.971 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.129 3.378 -7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.993 1.146 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.231 2.752 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.999 2.597 -5.118 1.00 0.00 H new ATOM 1052 N ASN A 71 0.710 3.411 -9.362 1.00 0.00 N ATOM 1053 CA ASN A 71 2.114 2.993 -9.504 1.00 0.00 C ATOM 1054 C ASN A 71 2.864 3.069 -8.159 1.00 0.00 C ATOM 1055 O ASN A 71 2.354 3.622 -7.183 1.00 0.00 O ATOM 1056 CB ASN A 71 2.799 3.856 -10.577 1.00 0.00 C ATOM 1057 CG ASN A 71 2.616 5.342 -10.328 1.00 0.00 C ATOM 1058 OD1 ASN A 71 1.603 5.919 -10.699 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.594 5.978 -9.715 1.00 0.00 N ATOM 0 H ASN A 71 0.579 4.421 -9.305 1.00 0.00 H new ATOM 0 HA ASN A 71 2.140 1.950 -9.820 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.864 3.623 -10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.394 3.602 -11.557 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.519 6.980 -9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.426 5.469 -9.418 1.00 0.00 H new ATOM 1066 N TYR A 72 4.078 2.515 -8.116 1.00 0.00 N ATOM 1067 CA TYR A 72 4.865 2.424 -6.871 1.00 0.00 C ATOM 1068 C TYR A 72 5.040 3.793 -6.185 1.00 0.00 C ATOM 1069 O TYR A 72 4.960 3.898 -4.957 1.00 0.00 O ATOM 1070 CB TYR A 72 6.237 1.801 -7.163 1.00 0.00 C ATOM 1071 CG TYR A 72 7.112 1.622 -5.932 1.00 0.00 C ATOM 1072 CD1 TYR A 72 6.882 0.580 -5.041 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.166 2.492 -5.665 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.673 0.411 -3.919 1.00 0.00 C ATOM 1075 CE2 TYR A 72 8.960 2.329 -4.545 1.00 0.00 C ATOM 1076 CZ TYR A 72 8.711 1.286 -3.676 1.00 0.00 C ATOM 1077 OH TYR A 72 9.501 1.118 -2.560 1.00 0.00 O ATOM 0 H TYR A 72 4.545 2.119 -8.932 1.00 0.00 H new ATOM 0 HA TYR A 72 4.310 1.787 -6.182 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.090 0.830 -7.635 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.764 2.429 -7.882 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.072 -0.109 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.367 3.308 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.479 -0.403 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.771 3.015 -4.351 1.00 0.00 H new ATOM 0 HH TYR A 72 10.187 1.817 -2.537 1.00 0.00 H new ATOM 1087 N GLU A 73 5.281 4.833 -6.976 1.00 0.00 N ATOM 1088 CA GLU A 73 5.398 6.197 -6.440 1.00 0.00 C ATOM 1089 C GLU A 73 4.145 6.594 -5.640 1.00 0.00 C ATOM 1090 O GLU A 73 4.245 7.160 -4.550 1.00 0.00 O ATOM 1091 CB GLU A 73 5.633 7.198 -7.579 1.00 0.00 C ATOM 1092 CG GLU A 73 6.889 6.915 -8.397 1.00 0.00 C ATOM 1093 CD GLU A 73 7.052 7.869 -9.568 1.00 0.00 C ATOM 1094 OE1 GLU A 73 6.466 7.608 -10.639 1.00 0.00 O ATOM 1095 OE2 GLU A 73 7.768 8.883 -9.422 1.00 0.00 O ATOM 0 H GLU A 73 5.400 4.765 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 73 6.252 6.217 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.768 7.189 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.702 8.202 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.763 6.987 -7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.852 5.891 -8.770 1.00 0.00 H new ATOM 1102 N GLU A 74 2.966 6.272 -6.177 1.00 0.00 N ATOM 1103 CA GLU A 74 1.702 6.567 -5.494 1.00 0.00 C ATOM 1104 C GLU A 74 1.508 5.640 -4.283 1.00 0.00 C ATOM 1105 O GLU A 74 0.901 6.022 -3.283 1.00 0.00 O ATOM 1106 CB GLU A 74 0.510 6.421 -6.455 1.00 0.00 C ATOM 1107 CG GLU A 74 0.709 7.076 -7.819 1.00 0.00 C ATOM 1108 CD GLU A 74 1.342 8.459 -7.735 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.691 9.393 -7.219 1.00 0.00 O ATOM 1110 OE2 GLU A 74 2.502 8.614 -8.176 1.00 0.00 O ATOM 0 H GLU A 74 2.859 5.809 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 74 1.747 7.599 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.307 5.360 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.374 6.853 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.337 6.433 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.255 7.155 -8.321 1.00 0.00 H new ATOM 1117 N PHE A 75 2.030 4.417 -4.393 1.00 0.00 N ATOM 1118 CA PHE A 75 1.991 3.434 -3.300 1.00 0.00 C ATOM 1119 C PHE A 75 2.678 3.983 -2.036 1.00 0.00 C ATOM 1120 O PHE A 75 2.169 3.834 -0.924 1.00 0.00 O ATOM 1121 CB PHE A 75 2.667 2.136 -3.761 1.00 0.00 C ATOM 1122 CG PHE A 75 2.698 1.035 -2.731 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.523 0.445 -2.288 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.906 0.572 -2.224 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.553 -0.580 -1.363 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.938 -0.449 -1.296 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.761 -1.027 -0.867 1.00 0.00 C ATOM 0 H PHE A 75 2.491 4.078 -5.237 1.00 0.00 H new ATOM 0 HA PHE A 75 0.951 3.230 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.150 1.769 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.690 2.363 -4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.574 0.791 -2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.831 1.016 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.631 -1.032 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.884 -0.795 -0.906 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.785 -1.829 -0.144 1.00 0.00 H new ATOM 1137 N LYS A 76 3.835 4.619 -2.219 1.00 0.00 N ATOM 1138 CA LYS A 76 4.530 5.316 -1.123 1.00 0.00 C ATOM 1139 C LYS A 76 3.604 6.345 -0.449 1.00 0.00 C ATOM 1140 O LYS A 76 3.462 6.380 0.776 1.00 0.00 O ATOM 1141 CB LYS A 76 5.773 6.036 -1.672 1.00 0.00 C ATOM 1142 CG LYS A 76 6.807 5.103 -2.301 1.00 0.00 C ATOM 1143 CD LYS A 76 7.815 5.865 -3.168 1.00 0.00 C ATOM 1144 CE LYS A 76 8.604 6.909 -2.375 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.563 6.287 -1.424 1.00 0.00 N ATOM 0 H LYS A 76 4.317 4.669 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 76 4.826 4.574 -0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.457 6.766 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.246 6.591 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.338 4.567 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.298 4.355 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.509 5.156 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.287 6.357 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.147 7.553 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.910 7.545 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.074 7.032 -0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.044 5.692 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.242 5.701 -1.950 1.00 0.00 H new ATOM 1159 N LYS A 77 2.971 7.170 -1.280 1.00 0.00 N ATOM 1160 CA LYS A 77 2.044 8.214 -0.823 1.00 0.00 C ATOM 1161 C LYS A 77 0.816 7.613 -0.109 1.00 0.00 C ATOM 1162 O LYS A 77 0.305 8.181 0.865 1.00 0.00 O ATOM 1163 CB LYS A 77 1.601 9.050 -2.035 1.00 0.00 C ATOM 1164 CG LYS A 77 2.769 9.684 -2.791 1.00 0.00 C ATOM 1165 CD LYS A 77 2.390 10.110 -4.210 1.00 0.00 C ATOM 1166 CE LYS A 77 1.330 11.203 -4.233 1.00 0.00 C ATOM 1167 NZ LYS A 77 1.023 11.644 -5.621 1.00 0.00 N ATOM 0 H LYS A 77 3.084 7.137 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 77 2.559 8.846 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.036 8.416 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.926 9.836 -1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.126 10.553 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.595 8.974 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.281 10.463 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.024 9.243 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.420 10.837 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.674 12.056 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.121 12.161 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.782 12.267 -5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.951 10.813 -6.242 1.00 0.00 H new ATOM 1181 N ALA A 78 0.349 6.468 -0.604 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.786 5.758 -0.003 1.00 0.00 C ATOM 1183 C ALA A 78 -0.431 5.195 1.384 1.00 0.00 C ATOM 1184 O ALA A 78 -1.188 5.360 2.344 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.254 4.644 -0.934 1.00 0.00 C ATOM 0 H ALA A 78 0.740 6.007 -1.425 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.598 6.471 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.097 4.121 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.563 5.072 -1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.438 3.941 -1.099 1.00 0.00 H new ATOM 1191 N LEU A 79 0.727 4.537 1.486 1.00 0.00 N ATOM 1192 CA LEU A 79 1.205 4.002 2.767 1.00 0.00 C ATOM 1193 C LEU A 79 1.371 5.115 3.804 1.00 0.00 C ATOM 1194 O LEU A 79 0.926 4.987 4.940 1.00 0.00 O ATOM 1195 CB LEU A 79 2.543 3.271 2.589 1.00 0.00 C ATOM 1196 CG LEU A 79 2.494 1.973 1.766 1.00 0.00 C ATOM 1197 CD1 LEU A 79 3.882 1.344 1.680 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.487 0.992 2.367 1.00 0.00 C ATOM 0 H LEU A 79 1.351 4.361 0.699 1.00 0.00 H new ATOM 0 HA LEU A 79 0.455 3.296 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.248 3.954 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.942 3.038 3.576 1.00 0.00 H new ATOM 0 HG LEU A 79 2.166 2.216 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.830 0.426 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.569 2.042 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.240 1.114 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.467 0.080 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.779 0.751 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.496 1.445 2.371 1.00 0.00 H new ATOM 1210 N GLU A 80 2.019 6.207 3.401 1.00 0.00 N ATOM 1211 CA GLU A 80 2.222 7.362 4.281 1.00 0.00 C ATOM 1212 C GLU A 80 0.883 7.864 4.862 1.00 0.00 C ATOM 1213 O GLU A 80 0.789 8.206 6.044 1.00 0.00 O ATOM 1214 CB GLU A 80 2.921 8.486 3.503 1.00 0.00 C ATOM 1215 CG GLU A 80 3.314 9.685 4.356 1.00 0.00 C ATOM 1216 CD GLU A 80 3.964 10.792 3.540 1.00 0.00 C ATOM 1217 OE1 GLU A 80 5.197 10.754 3.346 1.00 0.00 O ATOM 1218 OE2 GLU A 80 3.241 11.704 3.086 1.00 0.00 O ATOM 0 H GLU A 80 2.415 6.318 2.467 1.00 0.00 H new ATOM 0 HA GLU A 80 2.851 7.054 5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.816 8.083 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.262 8.824 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.428 10.078 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.002 9.361 5.137 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.152 7.887 4.023 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.503 8.268 4.457 1.00 0.00 C ATOM 1227 C GLU A 81 -2.030 7.309 5.541 1.00 0.00 C ATOM 1228 O GLU A 81 -2.289 7.715 6.679 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.453 8.281 3.246 1.00 0.00 C ATOM 1230 CG GLU A 81 -3.914 8.593 3.579 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.122 9.994 4.136 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.174 10.959 3.341 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.245 10.135 5.366 1.00 0.00 O ATOM 0 H GLU A 81 -0.084 7.646 3.034 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.457 9.267 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.093 9.018 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.407 7.309 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.517 8.475 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.277 7.864 4.304 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.158 6.028 5.191 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.663 5.018 6.130 1.00 0.00 C ATOM 1242 C LEU A 82 -1.795 4.942 7.399 1.00 0.00 C ATOM 1243 O LEU A 82 -2.289 4.636 8.490 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.724 3.643 5.448 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.627 3.564 4.201 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.644 2.146 3.634 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -5.046 4.036 4.521 1.00 0.00 C ATOM 0 H LEU A 82 -1.921 5.664 4.268 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.668 5.315 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.713 3.352 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.073 2.910 6.176 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.213 4.230 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.287 2.113 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.632 1.854 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.025 1.457 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.662 3.970 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.472 3.405 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.017 5.070 4.866 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.503 5.226 7.250 1.00 0.00 N ATOM 1260 CA ALA A 83 0.420 5.272 8.384 1.00 0.00 C ATOM 1261 C ALA A 83 0.025 6.379 9.369 1.00 0.00 C ATOM 1262 O ALA A 83 -0.120 6.133 10.564 1.00 0.00 O ATOM 1263 CB ALA A 83 1.850 5.481 7.896 1.00 0.00 C ATOM 0 H ALA A 83 -0.069 5.429 6.350 1.00 0.00 H new ATOM 0 HA ALA A 83 0.364 4.317 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.525 5.513 8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.134 4.658 7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.914 6.421 7.348 1.00 0.00 H new ATOM 1269 N THR A 84 -0.167 7.593 8.854 1.00 0.00 N ATOM 1270 CA THR A 84 -0.557 8.741 9.691 1.00 0.00 C ATOM 1271 C THR A 84 -1.960 8.566 10.299 1.00 0.00 C ATOM 1272 O THR A 84 -2.326 9.267 11.247 1.00 0.00 O ATOM 1273 CB THR A 84 -0.522 10.074 8.903 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.459 10.042 7.816 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.878 10.362 8.363 1.00 0.00 C ATOM 0 H THR A 84 -0.061 7.813 7.864 1.00 0.00 H new ATOM 0 HA THR A 84 0.179 8.779 10.494 1.00 0.00 H new ATOM 0 HB THR A 84 -0.798 10.871 9.594 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.709 9.113 7.627 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.870 11.304 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.581 10.431 9.193 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.183 9.556 7.695 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.749 7.646 9.742 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.062 7.308 10.308 1.00 0.00 C ATOM 1285 C LYS A 85 -3.926 6.506 11.616 1.00 0.00 C ATOM 1286 O LYS A 85 -4.459 6.901 12.657 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.903 6.512 9.294 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.339 7.314 8.068 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.148 8.550 8.460 1.00 0.00 C ATOM 1290 CE LYS A 85 -6.762 9.238 7.246 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.795 8.394 6.591 1.00 0.00 N ATOM 0 H LYS A 85 -2.505 7.121 8.902 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.568 8.246 10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.328 5.648 8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.791 6.129 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.459 7.619 7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.937 6.681 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.939 8.261 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.504 9.253 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.208 10.184 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.977 9.474 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.234 8.925 5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.352 7.532 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.523 8.134 7.287 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.212 5.379 11.564 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.041 4.520 12.748 1.00 0.00 C ATOM 1307 C ARG A 86 -1.932 5.045 13.675 1.00 0.00 C ATOM 1308 O ARG A 86 -2.115 5.138 14.891 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.742 3.072 12.324 1.00 0.00 C ATOM 1310 CG ARG A 86 -3.892 2.418 11.563 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.605 0.961 11.204 1.00 0.00 C ATOM 1312 NE ARG A 86 -3.394 0.117 12.381 1.00 0.00 N ATOM 1313 CZ ARG A 86 -3.372 -1.189 12.355 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -3.609 -1.827 11.258 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -3.142 -1.853 13.441 1.00 0.00 N ATOM 0 H ARG A 86 -2.745 5.038 10.724 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.977 4.540 13.306 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.849 3.060 11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.519 2.479 13.211 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.798 2.468 12.167 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.086 2.982 10.651 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.437 0.564 10.623 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.721 0.916 10.567 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.255 0.578 13.280 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.815 -1.311 10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.590 -2.847 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.978 -1.357 14.317 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.125 -2.873 13.421 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.787 5.384 13.097 1.00 0.00 N ATOM 1330 CA PHE A 87 0.333 5.938 13.861 1.00 0.00 C ATOM 1331 C PHE A 87 0.172 7.458 14.028 1.00 0.00 C ATOM 1332 O PHE A 87 -0.341 8.140 13.138 1.00 0.00 O ATOM 1333 CB PHE A 87 1.658 5.614 13.156 1.00 0.00 C ATOM 1334 CG PHE A 87 1.869 4.134 12.927 1.00 0.00 C ATOM 1335 CD1 PHE A 87 2.349 3.326 13.947 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.587 3.552 11.695 1.00 0.00 C ATOM 1337 CE1 PHE A 87 2.543 1.972 13.747 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.781 2.199 11.491 1.00 0.00 C ATOM 1339 CZ PHE A 87 2.260 1.408 12.518 1.00 0.00 C ATOM 0 H PHE A 87 -0.605 5.286 12.098 1.00 0.00 H new ATOM 0 HA PHE A 87 0.340 5.484 14.852 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.687 6.130 12.197 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.483 6.003 13.752 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.574 3.760 14.910 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.212 4.165 10.889 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.916 1.355 14.551 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.558 1.760 10.530 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.413 0.351 12.360 1.00 0.00 H new ATOM 1349 N LYS A 88 0.593 7.990 15.173 1.00 0.00 N ATOM 1350 CA LYS A 88 0.428 9.421 15.453 1.00 0.00 C ATOM 1351 C LYS A 88 1.528 10.270 14.794 1.00 0.00 C ATOM 1352 O LYS A 88 2.621 9.782 14.493 1.00 0.00 O ATOM 1353 CB LYS A 88 0.383 9.676 16.965 1.00 0.00 C ATOM 1354 CG LYS A 88 -0.792 8.991 17.664 1.00 0.00 C ATOM 1355 CD LYS A 88 -1.031 9.548 19.066 1.00 0.00 C ATOM 1356 CE LYS A 88 -1.373 11.034 19.024 1.00 0.00 C ATOM 1357 NZ LYS A 88 -1.628 11.594 20.377 1.00 0.00 N ATOM 0 H LYS A 88 1.047 7.461 15.918 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.523 9.727 15.017 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.314 9.328 17.412 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.325 10.750 17.143 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.694 9.119 17.065 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.601 7.920 17.728 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.843 9.000 19.543 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.141 9.395 19.676 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.554 11.580 18.556 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.254 11.184 18.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.856 12.606 20.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.427 11.093 20.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.780 11.476 20.967 1.00 0.00 H new ATOM 1371 N GLY A 89 1.232 11.554 14.589 1.00 0.00 N ATOM 1372 CA GLY A 89 2.125 12.438 13.842 1.00 0.00 C ATOM 1373 C GLY A 89 3.330 12.935 14.640 1.00 0.00 C ATOM 1374 O GLY A 89 3.496 14.141 14.844 1.00 0.00 O ATOM 0 H GLY A 89 0.382 12.004 14.929 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.482 11.911 12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.556 13.299 13.492 1.00 0.00 H new ATOM 1378 N LYS A 90 4.169 12.009 15.096 1.00 0.00 N ATOM 1379 CA LYS A 90 5.438 12.364 15.746 1.00 0.00 C ATOM 1380 C LYS A 90 6.595 12.312 14.733 1.00 0.00 C ATOM 1381 O LYS A 90 7.536 13.102 14.798 1.00 0.00 O ATOM 1382 CB LYS A 90 5.732 11.415 16.922 1.00 0.00 C ATOM 1383 CG LYS A 90 5.928 9.955 16.512 1.00 0.00 C ATOM 1384 CD LYS A 90 6.448 9.100 17.669 1.00 0.00 C ATOM 1385 CE LYS A 90 6.757 7.678 17.216 1.00 0.00 C ATOM 1386 NZ LYS A 90 7.425 6.881 18.281 1.00 0.00 N ATOM 0 H LYS A 90 3.998 11.006 15.030 1.00 0.00 H new ATOM 0 HA LYS A 90 5.348 13.380 16.130 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.628 11.760 17.438 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.911 11.474 17.636 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.981 9.548 16.157 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.629 9.903 15.679 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.348 9.555 18.083 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.706 9.076 18.467 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.832 7.183 16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.396 7.710 16.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.885 6.050 17.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.140 7.467 18.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.717 6.567 18.976 1.00 0.00 H new ATOM 1400 N SER A 91 6.504 11.367 13.798 1.00 0.00 N ATOM 1401 CA SER A 91 7.519 11.183 12.757 1.00 0.00 C ATOM 1402 C SER A 91 7.013 10.251 11.650 1.00 0.00 C ATOM 1403 O SER A 91 6.750 9.072 11.897 1.00 0.00 O ATOM 1404 CB SER A 91 8.801 10.594 13.358 1.00 0.00 C ATOM 1405 OG SER A 91 9.759 10.303 12.353 1.00 0.00 O ATOM 0 H SER A 91 5.728 10.708 13.739 1.00 0.00 H new ATOM 0 HA SER A 91 7.730 12.162 12.327 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.225 11.298 14.074 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.562 9.684 13.909 1.00 0.00 H new ATOM 0 HG SER A 91 10.565 9.931 12.768 1.00 0.00 H new ATOM 1411 N LYS A 92 6.872 10.777 10.434 1.00 0.00 N ATOM 1412 CA LYS A 92 6.505 9.958 9.280 1.00 0.00 C ATOM 1413 C LYS A 92 7.616 8.951 8.954 1.00 0.00 C ATOM 1414 O LYS A 92 7.361 7.901 8.373 1.00 0.00 O ATOM 1415 CB LYS A 92 6.231 10.842 8.057 1.00 0.00 C ATOM 1416 CG LYS A 92 4.906 11.601 8.100 1.00 0.00 C ATOM 1417 CD LYS A 92 4.653 12.359 6.797 1.00 0.00 C ATOM 1418 CE LYS A 92 3.291 13.045 6.779 1.00 0.00 C ATOM 1419 NZ LYS A 92 3.155 14.057 7.855 1.00 0.00 N ATOM 0 H LYS A 92 7.006 11.766 10.223 1.00 0.00 H new ATOM 0 HA LYS A 92 5.597 9.410 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.043 11.562 7.957 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.247 10.218 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.090 10.901 8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.914 12.302 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.435 13.105 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.719 11.666 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.141 13.524 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.508 12.295 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.248 14.555 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.187 13.585 8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.935 14.741 7.788 1.00 0.00 H new ATOM 1433 N GLU A 93 8.847 9.288 9.331 1.00 0.00 N ATOM 1434 CA GLU A 93 9.995 8.399 9.127 1.00 0.00 C ATOM 1435 C GLU A 93 9.768 7.034 9.804 1.00 0.00 C ATOM 1436 O GLU A 93 9.777 5.992 9.147 1.00 0.00 O ATOM 1437 CB GLU A 93 11.268 9.055 9.680 1.00 0.00 C ATOM 1438 CG GLU A 93 11.577 10.418 9.068 1.00 0.00 C ATOM 1439 CD GLU A 93 12.824 11.055 9.664 1.00 0.00 C ATOM 1440 OE1 GLU A 93 13.933 10.790 9.159 1.00 0.00 O ATOM 1441 OE2 GLU A 93 12.702 11.818 10.649 1.00 0.00 O ATOM 0 H GLU A 93 9.079 10.173 9.781 1.00 0.00 H new ATOM 0 HA GLU A 93 10.110 8.231 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.168 9.167 10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.113 8.389 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.708 10.308 7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.726 11.082 9.219 1.00 0.00 H new ATOM 1448 N GLU A 94 9.546 7.057 11.120 1.00 0.00 N ATOM 1449 CA GLU A 94 9.307 5.827 11.887 1.00 0.00 C ATOM 1450 C GLU A 94 7.935 5.211 11.545 1.00 0.00 C ATOM 1451 O GLU A 94 7.790 3.990 11.471 1.00 0.00 O ATOM 1452 CB GLU A 94 9.396 6.113 13.394 1.00 0.00 C ATOM 1453 CG GLU A 94 9.350 4.856 14.259 1.00 0.00 C ATOM 1454 CD GLU A 94 9.387 5.154 15.752 1.00 0.00 C ATOM 1455 OE1 GLU A 94 10.482 5.446 16.284 1.00 0.00 O ATOM 1456 OE2 GLU A 94 8.325 5.085 16.407 1.00 0.00 O ATOM 0 H GLU A 94 9.526 7.911 11.678 1.00 0.00 H new ATOM 0 HA GLU A 94 10.079 5.107 11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.321 6.651 13.599 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.575 6.771 13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.443 4.297 14.029 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.193 4.215 14.002 1.00 0.00 H new ATOM 1463 N ALA A 95 6.931 6.066 11.334 1.00 0.00 N ATOM 1464 CA ALA A 95 5.586 5.606 10.962 1.00 0.00 C ATOM 1465 C ALA A 95 5.602 4.829 9.636 1.00 0.00 C ATOM 1466 O ALA A 95 4.941 3.796 9.500 1.00 0.00 O ATOM 1467 CB ALA A 95 4.632 6.790 10.870 1.00 0.00 C ATOM 0 H ALA A 95 7.021 7.079 11.414 1.00 0.00 H new ATOM 0 HA ALA A 95 5.238 4.927 11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.639 6.436 10.594 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.582 7.293 11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.991 7.489 10.115 1.00 0.00 H new ATOM 1473 N PHE A 96 6.368 5.332 8.666 1.00 0.00 N ATOM 1474 CA PHE A 96 6.504 4.678 7.360 1.00 0.00 C ATOM 1475 C PHE A 96 7.256 3.344 7.503 1.00 0.00 C ATOM 1476 O PHE A 96 6.894 2.350 6.876 1.00 0.00 O ATOM 1477 CB PHE A 96 7.235 5.603 6.372 1.00 0.00 C ATOM 1478 CG PHE A 96 7.180 5.141 4.936 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.049 5.374 4.164 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.255 4.477 4.358 1.00 0.00 C ATOM 1481 CE1 PHE A 96 5.993 4.956 2.847 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.201 4.058 3.041 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.069 4.297 2.286 1.00 0.00 C ATOM 0 H PHE A 96 6.906 6.193 8.760 1.00 0.00 H new ATOM 0 HA PHE A 96 5.507 4.472 6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.802 6.601 6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.279 5.688 6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.204 5.888 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.142 4.286 4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.108 5.145 2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.044 3.544 2.603 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.026 3.969 1.258 1.00 0.00 H new ATOM 1493 N ASP A 97 8.296 3.337 8.340 1.00 0.00 N ATOM 1494 CA ASP A 97 9.034 2.107 8.660 1.00 0.00 C ATOM 1495 C ASP A 97 8.085 1.025 9.186 1.00 0.00 C ATOM 1496 O ASP A 97 8.047 -0.094 8.681 1.00 0.00 O ATOM 1497 CB ASP A 97 10.104 2.398 9.721 1.00 0.00 C ATOM 1498 CG ASP A 97 10.954 1.178 10.052 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.879 0.863 9.277 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.702 0.528 11.092 1.00 0.00 O ATOM 0 H ASP A 97 8.649 4.170 8.811 1.00 0.00 H new ATOM 0 HA ASP A 97 9.508 1.749 7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.751 3.201 9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.620 2.756 10.630 1.00 0.00 H new ATOM 1505 N ALA A 98 7.310 1.397 10.196 1.00 0.00 N ATOM 1506 CA ALA A 98 6.395 0.481 10.871 1.00 0.00 C ATOM 1507 C ALA A 98 5.305 -0.068 9.929 1.00 0.00 C ATOM 1508 O ALA A 98 5.118 -1.287 9.824 1.00 0.00 O ATOM 1509 CB ALA A 98 5.778 1.191 12.065 1.00 0.00 C ATOM 0 H ALA A 98 7.297 2.345 10.573 1.00 0.00 H new ATOM 0 HA ALA A 98 6.965 -0.385 11.208 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.093 0.515 12.576 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.566 1.497 12.753 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.232 2.071 11.723 1.00 0.00 H new ATOM 1515 N ILE A 99 4.587 0.819 9.234 1.00 0.00 N ATOM 1516 CA ILE A 99 3.556 0.373 8.288 1.00 0.00 C ATOM 1517 C ILE A 99 4.170 -0.513 7.189 1.00 0.00 C ATOM 1518 O ILE A 99 3.580 -1.512 6.773 1.00 0.00 O ATOM 1519 CB ILE A 99 2.786 1.560 7.647 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.606 1.038 6.809 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.713 2.425 6.794 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.715 2.131 6.257 1.00 0.00 C ATOM 0 H ILE A 99 4.695 1.831 9.304 1.00 0.00 H new ATOM 0 HA ILE A 99 2.837 -0.212 8.861 1.00 0.00 H new ATOM 0 HB ILE A 99 2.396 2.185 8.450 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.995 0.447 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.005 0.368 7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.145 3.247 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.512 2.826 7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.144 1.820 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.093 1.684 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.295 2.709 7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.301 2.788 5.614 1.00 0.00 H new ATOM 1534 N CYS A 100 5.378 -0.158 6.745 1.00 0.00 N ATOM 1535 CA CYS A 100 6.116 -0.970 5.774 1.00 0.00 C ATOM 1536 C CYS A 100 6.675 -2.239 6.425 1.00 0.00 C ATOM 1537 O CYS A 100 6.920 -3.228 5.752 1.00 0.00 O ATOM 1538 CB CYS A 100 7.254 -0.162 5.139 1.00 0.00 C ATOM 1539 SG CYS A 100 6.694 1.246 4.153 1.00 0.00 S ATOM 0 H CYS A 100 5.866 0.687 7.042 1.00 0.00 H new ATOM 0 HA CYS A 100 5.416 -1.263 4.992 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.914 0.199 5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.846 -0.823 4.506 1.00 0.00 H new ATOM 0 HG CYS A 100 7.626 2.152 4.122 1.00 0.00 H new ATOM 1545 N GLN A 101 6.873 -2.210 7.739 1.00 0.00 N ATOM 1546 CA GLN A 101 7.316 -3.400 8.475 1.00 0.00 C ATOM 1547 C GLN A 101 6.252 -4.505 8.368 1.00 0.00 C ATOM 1548 O GLN A 101 6.564 -5.698 8.318 1.00 0.00 O ATOM 1549 CB GLN A 101 7.568 -3.054 9.956 1.00 0.00 C ATOM 1550 CG GLN A 101 8.606 -3.943 10.646 1.00 0.00 C ATOM 1551 CD GLN A 101 10.030 -3.395 10.552 1.00 0.00 C ATOM 1552 OE1 GLN A 101 10.855 -3.635 11.425 1.00 0.00 O ATOM 1553 NE2 GLN A 101 10.328 -2.642 9.510 1.00 0.00 N ATOM 0 H GLN A 101 6.736 -1.382 8.318 1.00 0.00 H new ATOM 0 HA GLN A 101 8.249 -3.756 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.894 -2.016 10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.626 -3.128 10.499 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.336 -4.056 11.696 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.577 -4.937 10.200 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.623 -2.457 8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.263 -2.245 9.418 1.00 0.00 H new ATOM 1562 N LEU A 102 4.990 -4.082 8.334 1.00 0.00 N ATOM 1563 CA LEU A 102 3.857 -5.003 8.181 1.00 0.00 C ATOM 1564 C LEU A 102 3.635 -5.428 6.712 1.00 0.00 C ATOM 1565 O LEU A 102 3.079 -6.497 6.453 1.00 0.00 O ATOM 1566 CB LEU A 102 2.577 -4.343 8.720 1.00 0.00 C ATOM 1567 CG LEU A 102 2.606 -3.958 10.209 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.307 -3.257 10.612 1.00 0.00 C ATOM 1569 CD2 LEU A 102 2.850 -5.188 11.084 1.00 0.00 C ATOM 0 H LEU A 102 4.721 -3.101 8.411 1.00 0.00 H new ATOM 0 HA LEU A 102 4.092 -5.902 8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.378 -3.445 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.741 -5.023 8.555 1.00 0.00 H new ATOM 0 HG LEU A 102 3.431 -3.263 10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.349 -2.993 11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.182 -2.352 10.017 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.464 -3.925 10.438 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.866 -4.891 12.133 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.051 -5.912 10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.807 -5.639 10.820 1.00 0.00 H new ATOM 1581 N VAL A 103 4.056 -4.587 5.762 1.00 0.00 N ATOM 1582 CA VAL A 103 3.815 -4.836 4.327 1.00 0.00 C ATOM 1583 C VAL A 103 5.051 -5.413 3.605 1.00 0.00 C ATOM 1584 O VAL A 103 4.964 -6.441 2.934 1.00 0.00 O ATOM 1585 CB VAL A 103 3.377 -3.537 3.601 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.146 -3.792 2.111 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.123 -2.949 4.252 1.00 0.00 C ATOM 0 H VAL A 103 4.566 -3.725 5.956 1.00 0.00 H new ATOM 0 HA VAL A 103 3.016 -5.577 4.285 1.00 0.00 H new ATOM 0 HB VAL A 103 4.184 -2.810 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.840 -2.865 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.069 -4.152 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.364 -4.541 1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.833 -2.039 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.311 -3.674 4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.331 -2.715 5.296 1.00 0.00 H new ATOM 1597 N ALA A 104 6.186 -4.729 3.728 1.00 0.00 N ATOM 1598 CA ALA A 104 7.429 -5.117 3.043 1.00 0.00 C ATOM 1599 C ALA A 104 7.804 -6.589 3.273 1.00 0.00 C ATOM 1600 O ALA A 104 7.907 -7.049 4.410 1.00 0.00 O ATOM 1601 CB ALA A 104 8.576 -4.213 3.487 1.00 0.00 C ATOM 0 H ALA A 104 6.276 -3.891 4.303 1.00 0.00 H new ATOM 0 HA ALA A 104 7.251 -4.996 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.491 -4.508 2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.340 -3.178 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.717 -4.306 4.564 1.00 0.00 H new ATOM 1607 N GLY A 105 8.008 -7.315 2.175 1.00 0.00 N ATOM 1608 CA GLY A 105 8.392 -8.723 2.245 1.00 0.00 C ATOM 1609 C GLY A 105 7.284 -9.653 2.747 1.00 0.00 C ATOM 1610 O GLY A 105 7.487 -10.866 2.851 1.00 0.00 O ATOM 0 H GLY A 105 7.914 -6.951 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.705 -9.052 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.257 -8.820 2.901 1.00 0.00 H new ATOM 1614 N LYS A 106 6.113 -9.095 3.046 1.00 0.00 N ATOM 1615 CA LYS A 106 5.006 -9.867 3.615 1.00 0.00 C ATOM 1616 C LYS A 106 4.141 -10.497 2.504 1.00 0.00 C ATOM 1617 O LYS A 106 3.786 -9.846 1.521 1.00 0.00 O ATOM 1618 CB LYS A 106 4.171 -8.958 4.538 1.00 0.00 C ATOM 1619 CG LYS A 106 3.347 -9.701 5.589 1.00 0.00 C ATOM 1620 CD LYS A 106 2.081 -10.316 5.006 1.00 0.00 C ATOM 1621 CE LYS A 106 1.317 -11.123 6.043 1.00 0.00 C ATOM 1622 NZ LYS A 106 0.099 -11.739 5.464 1.00 0.00 N ATOM 0 H LYS A 106 5.904 -8.107 2.904 1.00 0.00 H new ATOM 0 HA LYS A 106 5.408 -10.689 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.841 -8.264 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.498 -8.360 3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.957 -10.486 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.078 -9.012 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.440 -9.526 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.343 -10.959 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.963 -11.902 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.038 -10.477 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.208 -12.531 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.659 -11.029 5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.309 -12.090 4.508 1.00 0.00 H new ATOM 1636 N GLU A 107 3.807 -11.773 2.681 1.00 0.00 N ATOM 1637 CA GLU A 107 3.090 -12.555 1.660 1.00 0.00 C ATOM 1638 C GLU A 107 1.552 -12.453 1.794 1.00 0.00 C ATOM 1639 O GLU A 107 1.020 -12.199 2.882 1.00 0.00 O ATOM 1640 CB GLU A 107 3.524 -14.032 1.741 1.00 0.00 C ATOM 1641 CG GLU A 107 3.020 -14.790 2.976 1.00 0.00 C ATOM 1642 CD GLU A 107 3.480 -14.190 4.300 1.00 0.00 C ATOM 1643 OE1 GLU A 107 4.696 -13.953 4.464 1.00 0.00 O ATOM 1644 OE2 GLU A 107 2.628 -13.952 5.183 1.00 0.00 O ATOM 0 H GLU A 107 4.021 -12.298 3.529 1.00 0.00 H new ATOM 0 HA GLU A 107 3.353 -12.134 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.171 -14.548 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.613 -14.076 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.930 -14.811 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.360 -15.824 2.919 1.00 0.00 H new ATOM 1651 N PRO A 108 0.814 -12.659 0.677 1.00 0.00 N ATOM 1652 CA PRO A 108 -0.659 -12.683 0.694 1.00 0.00 C ATOM 1653 C PRO A 108 -1.216 -13.826 1.560 1.00 0.00 C ATOM 1654 O PRO A 108 -0.954 -15.005 1.305 1.00 0.00 O ATOM 1655 CB PRO A 108 -1.039 -12.877 -0.788 1.00 0.00 C ATOM 1656 CG PRO A 108 0.182 -13.454 -1.427 1.00 0.00 C ATOM 1657 CD PRO A 108 1.351 -12.867 -0.683 1.00 0.00 C ATOM 0 HA PRO A 108 -1.076 -11.775 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -1.893 -13.546 -0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.317 -11.931 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.182 -14.542 -1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.226 -13.201 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.206 -13.542 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.685 -11.932 -1.132 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.989 -13.467 2.581 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.502 -14.439 3.550 1.00 0.00 C ATOM 1667 C ALA A 109 -3.941 -14.871 3.235 1.00 0.00 C ATOM 1668 O ALA A 109 -4.223 -16.067 3.129 1.00 0.00 O ATOM 1669 CB ALA A 109 -2.425 -13.857 4.958 1.00 0.00 C ATOM 0 H ALA A 109 -2.277 -12.505 2.762 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.876 -15.329 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.808 -14.584 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.388 -13.622 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.024 -12.948 5.009 1.00 0.00 H new