USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 56 GLN : amide:sc= 0.0189 X(o=-0.38,f=-0.42) USER MOD Set 1.2: A 61 CYS SG : rot 140:sc= -0.398 USER MOD Set 2.1: A 41 LYS NZ :NH3+ 149:sc= -0.0244 (180deg=-0.878) USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 CYS SG : rot -26:sc= -1.14 USER MOD Set 3.2: A 78 CYS SG : rot -97:sc= 0.238 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.54) USER MOD Single : A 20 MET CE :methyl -172:sc= -2.74! (180deg=-3.26!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -42:sc= -0.795 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.00345 X(o=-0.0034,f=-0.0034) USER MOD Single : A 66 HIS : no HD1:sc=-0.00734 X(o=-0.0073,f=-0.12) USER MOD Single : A 70 MET CE :methyl -170:sc= -3.35 (180deg=-3.68!) USER MOD Single : A 73 ASN : amide:sc= -4.73! C(o=-4.7!,f=-13!) USER MOD Single : A 76 TYR OH : rot -46:sc= 1.06 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 120:sc= -5.13! USER MOD Single : A 82 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 8.146 15.910 -4.176 1.00 0.00 N ATOM 67 CA ALA A 8 7.247 15.781 -3.036 1.00 0.00 C ATOM 68 C ALA A 8 7.904 14.996 -1.905 1.00 0.00 C ATOM 69 O ALA A 8 8.834 14.221 -2.133 1.00 0.00 O ATOM 70 CB ALA A 8 5.949 15.111 -3.461 1.00 0.00 C ATOM 0 HA ALA A 8 7.023 16.782 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.287 15.021 -2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.464 15.712 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.165 14.119 -3.858 1.00 0.00 H new ATOM 76 N ARG A 9 7.416 15.201 -0.687 1.00 0.00 N ATOM 77 CA ARG A 9 7.957 14.513 0.479 1.00 0.00 C ATOM 78 C ARG A 9 6.861 13.749 1.218 1.00 0.00 C ATOM 79 O ARG A 9 5.830 14.317 1.578 1.00 0.00 O ATOM 80 CB ARG A 9 8.622 15.515 1.426 1.00 0.00 C ATOM 81 CG ARG A 9 7.641 16.469 2.089 1.00 0.00 C ATOM 82 CD ARG A 9 8.351 17.684 2.666 1.00 0.00 C ATOM 83 NE ARG A 9 8.851 17.436 4.015 1.00 0.00 N ATOM 84 CZ ARG A 9 8.069 17.358 5.086 1.00 0.00 C ATOM 85 NH1 ARG A 9 6.757 17.507 4.965 1.00 0.00 N ATOM 86 NH2 ARG A 9 8.599 17.129 6.281 1.00 0.00 N ATOM 0 H ARG A 9 6.647 15.838 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 9 8.704 13.798 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.163 14.968 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.359 16.094 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.897 16.792 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.105 15.948 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.182 17.961 2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.665 18.531 2.684 1.00 0.00 H new ATOM 0 HE ARG A 9 9.856 17.316 4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.346 17.682 4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.159 17.447 5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.608 17.013 6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.998 17.069 7.103 1.00 0.00 H new ATOM 100 N PHE A 10 7.092 12.460 1.438 1.00 0.00 N ATOM 101 CA PHE A 10 6.125 11.617 2.132 1.00 0.00 C ATOM 102 C PHE A 10 5.837 12.158 3.529 1.00 0.00 C ATOM 103 O PHE A 10 6.678 12.079 4.425 1.00 0.00 O ATOM 104 CB PHE A 10 6.642 10.180 2.225 1.00 0.00 C ATOM 105 CG PHE A 10 6.524 9.416 0.938 1.00 0.00 C ATOM 106 CD1 PHE A 10 7.554 9.431 0.011 1.00 0.00 C ATOM 107 CD2 PHE A 10 5.383 8.684 0.653 1.00 0.00 C ATOM 108 CE1 PHE A 10 7.449 8.728 -1.175 1.00 0.00 C ATOM 109 CE2 PHE A 10 5.272 7.979 -0.530 1.00 0.00 C ATOM 110 CZ PHE A 10 6.306 8.002 -1.446 1.00 0.00 C ATOM 0 H PHE A 10 7.941 11.975 1.146 1.00 0.00 H new ATOM 0 HA PHE A 10 5.197 11.625 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.687 10.198 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.089 9.653 3.003 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.449 9.999 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.570 8.664 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.260 8.747 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.378 7.410 -0.739 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.221 7.453 -2.372 1.00 0.00 H new ATOM 120 N THR A 11 4.640 12.709 3.709 1.00 0.00 N ATOM 121 CA THR A 11 4.240 13.264 4.996 1.00 0.00 C ATOM 122 C THR A 11 3.694 12.180 5.917 1.00 0.00 C ATOM 123 O THR A 11 3.948 12.190 7.121 1.00 0.00 O ATOM 124 CB THR A 11 3.174 14.363 4.827 1.00 0.00 C ATOM 125 OG1 THR A 11 2.432 14.517 6.042 1.00 0.00 O ATOM 126 CG2 THR A 11 2.225 14.025 3.686 1.00 0.00 C ATOM 0 H THR A 11 3.931 12.783 2.979 1.00 0.00 H new ATOM 0 HA THR A 11 5.133 13.700 5.443 1.00 0.00 H new ATOM 0 HB THR A 11 3.682 15.298 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.757 15.219 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.481 14.815 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.789 13.937 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.724 13.080 3.897 1.00 0.00 H new ATOM 134 N GLU A 12 2.943 11.245 5.343 1.00 0.00 N ATOM 135 CA GLU A 12 2.361 10.153 6.115 1.00 0.00 C ATOM 136 C GLU A 12 3.106 8.846 5.856 1.00 0.00 C ATOM 137 O GLU A 12 3.167 8.367 4.725 1.00 0.00 O ATOM 138 CB GLU A 12 0.880 9.986 5.767 1.00 0.00 C ATOM 139 CG GLU A 12 -0.032 10.945 6.513 1.00 0.00 C ATOM 140 CD GLU A 12 -0.150 10.611 7.987 1.00 0.00 C ATOM 141 OE1 GLU A 12 0.789 10.932 8.746 1.00 0.00 O ATOM 142 OE2 GLU A 12 -1.182 10.029 8.382 1.00 0.00 O ATOM 0 H GLU A 12 2.724 11.222 4.347 1.00 0.00 H new ATOM 0 HA GLU A 12 2.453 10.400 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.749 10.133 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.576 8.963 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.348 11.961 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.023 10.925 6.059 1.00 0.00 H new ATOM 149 N GLY A 13 3.673 8.276 6.915 1.00 0.00 N ATOM 150 CA GLY A 13 4.407 7.031 6.783 1.00 0.00 C ATOM 151 C GLY A 13 3.495 5.821 6.745 1.00 0.00 C ATOM 152 O GLY A 13 2.708 5.599 7.666 1.00 0.00 O ATOM 0 H GLY A 13 3.637 8.654 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.005 7.060 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.102 6.932 7.617 1.00 0.00 H new ATOM 156 N LEU A 14 3.599 5.037 5.678 1.00 0.00 N ATOM 157 CA LEU A 14 2.775 3.843 5.523 1.00 0.00 C ATOM 158 C LEU A 14 2.703 3.058 6.829 1.00 0.00 C ATOM 159 O LEU A 14 3.729 2.692 7.402 1.00 0.00 O ATOM 160 CB LEU A 14 3.334 2.954 4.410 1.00 0.00 C ATOM 161 CG LEU A 14 2.960 3.352 2.982 1.00 0.00 C ATOM 162 CD1 LEU A 14 4.020 2.876 2.001 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.596 2.788 2.611 1.00 0.00 C ATOM 0 H LEU A 14 4.245 5.206 4.907 1.00 0.00 H new ATOM 0 HA LEU A 14 1.767 4.159 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.421 2.945 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.994 1.933 4.582 1.00 0.00 H new ATOM 0 HG LEU A 14 2.908 4.439 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.737 3.168 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.979 3.328 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.104 1.791 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.346 3.081 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.621 1.700 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.843 3.178 3.296 1.00 0.00 H new ATOM 175 N ARG A 15 1.484 2.800 7.292 1.00 0.00 N ATOM 176 CA ARG A 15 1.278 2.057 8.529 1.00 0.00 C ATOM 177 C ARG A 15 1.190 0.559 8.255 1.00 0.00 C ATOM 178 O ARG A 15 0.861 0.139 7.147 1.00 0.00 O ATOM 179 CB ARG A 15 0.005 2.534 9.229 1.00 0.00 C ATOM 180 CG ARG A 15 -0.519 1.559 10.271 1.00 0.00 C ATOM 181 CD ARG A 15 -1.498 2.232 11.221 1.00 0.00 C ATOM 182 NE ARG A 15 -2.484 1.292 11.747 1.00 0.00 N ATOM 183 CZ ARG A 15 -3.130 1.469 12.894 1.00 0.00 C ATOM 184 NH1 ARG A 15 -2.894 2.546 13.632 1.00 0.00 N ATOM 185 NH2 ARG A 15 -4.014 0.569 13.305 1.00 0.00 N ATOM 0 H ARG A 15 0.624 3.095 6.829 1.00 0.00 H new ATOM 0 HA ARG A 15 2.133 2.240 9.180 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.201 3.493 9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.769 2.704 8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.010 0.722 9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.316 1.148 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.949 2.682 12.048 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.010 3.041 10.700 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.688 0.453 11.204 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.215 3.240 13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.391 2.680 14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.198 -0.260 12.740 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.509 0.706 14.186 1.00 0.00 H new ATOM 199 N ASN A 16 1.488 -0.242 9.274 1.00 0.00 N ATOM 200 CA ASN A 16 1.443 -1.694 9.143 1.00 0.00 C ATOM 201 C ASN A 16 0.062 -2.157 8.691 1.00 0.00 C ATOM 202 O ASN A 16 -0.933 -1.462 8.894 1.00 0.00 O ATOM 203 CB ASN A 16 1.807 -2.358 10.472 1.00 0.00 C ATOM 204 CG ASN A 16 1.072 -1.742 11.647 1.00 0.00 C ATOM 205 OD1 ASN A 16 1.555 -0.796 12.268 1.00 0.00 O ATOM 206 ND2 ASN A 16 -0.103 -2.278 11.956 1.00 0.00 N ATOM 0 H ASN A 16 1.763 0.090 10.198 1.00 0.00 H new ATOM 0 HA ASN A 16 2.170 -1.988 8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.575 -3.422 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.882 -2.274 10.635 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.644 -1.906 12.736 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.465 -3.062 11.413 1.00 0.00 H new ATOM 213 N GLU A 17 0.009 -3.336 8.079 1.00 0.00 N ATOM 214 CA GLU A 17 -1.250 -3.892 7.599 1.00 0.00 C ATOM 215 C GLU A 17 -1.308 -5.397 7.842 1.00 0.00 C ATOM 216 O GLU A 17 -0.277 -6.063 7.924 1.00 0.00 O ATOM 217 CB GLU A 17 -1.428 -3.597 6.108 1.00 0.00 C ATOM 218 CG GLU A 17 -2.879 -3.598 5.656 1.00 0.00 C ATOM 219 CD GLU A 17 -3.641 -2.379 6.139 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.019 -1.305 6.275 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.860 -2.500 6.380 1.00 0.00 O ATOM 0 H GLU A 17 0.824 -3.924 7.904 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.061 -3.421 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.987 -2.626 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.876 -4.339 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.917 -3.638 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.370 -4.499 6.025 1.00 0.00 H new ATOM 228 N GLU A 18 -2.523 -5.926 7.956 1.00 0.00 N ATOM 229 CA GLU A 18 -2.716 -7.352 8.191 1.00 0.00 C ATOM 230 C GLU A 18 -3.973 -7.854 7.488 1.00 0.00 C ATOM 231 O GLU A 18 -5.038 -7.246 7.589 1.00 0.00 O ATOM 232 CB GLU A 18 -2.809 -7.636 9.691 1.00 0.00 C ATOM 233 CG GLU A 18 -1.466 -7.927 10.341 1.00 0.00 C ATOM 234 CD GLU A 18 -1.421 -7.512 11.799 1.00 0.00 C ATOM 235 OE1 GLU A 18 -2.373 -7.838 12.538 1.00 0.00 O ATOM 236 OE2 GLU A 18 -0.434 -6.862 12.200 1.00 0.00 O ATOM 0 H GLU A 18 -3.387 -5.389 7.889 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.856 -7.881 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.265 -6.779 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.472 -8.486 9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.253 -8.993 10.264 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.681 -7.405 9.794 1.00 0.00 H new ATOM 243 N ALA A 19 -3.841 -8.968 6.775 1.00 0.00 N ATOM 244 CA ALA A 19 -4.966 -9.553 6.056 1.00 0.00 C ATOM 245 C ALA A 19 -4.887 -11.076 6.060 1.00 0.00 C ATOM 246 O ALA A 19 -3.889 -11.654 6.488 1.00 0.00 O ATOM 247 CB ALA A 19 -5.010 -9.029 4.628 1.00 0.00 C ATOM 0 H ALA A 19 -2.966 -9.483 6.680 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.883 -9.261 6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.855 -9.474 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.122 -7.945 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.085 -9.292 4.115 1.00 0.00 H new ATOM 253 N MET A 20 -5.947 -11.720 5.580 1.00 0.00 N ATOM 254 CA MET A 20 -5.996 -13.176 5.529 1.00 0.00 C ATOM 255 C MET A 20 -5.884 -13.673 4.091 1.00 0.00 C ATOM 256 O MET A 20 -6.469 -13.093 3.177 1.00 0.00 O ATOM 257 CB MET A 20 -7.295 -13.686 6.157 1.00 0.00 C ATOM 258 CG MET A 20 -7.305 -13.612 7.675 1.00 0.00 C ATOM 259 SD MET A 20 -8.395 -14.838 8.423 1.00 0.00 S ATOM 260 CE MET A 20 -7.485 -16.345 8.095 1.00 0.00 C ATOM 0 H MET A 20 -6.782 -11.257 5.222 1.00 0.00 H new ATOM 0 HA MET A 20 -5.150 -13.564 6.096 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.130 -13.104 5.767 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.456 -14.720 5.851 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.291 -13.757 8.049 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.619 -12.615 7.984 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.095 -17.206 8.370 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.239 -16.398 7.034 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.566 -16.350 8.681 1.00 0.00 H new ATOM 270 N GLU A 21 -5.129 -14.750 3.899 1.00 0.00 N ATOM 271 CA GLU A 21 -4.940 -15.323 2.572 1.00 0.00 C ATOM 272 C GLU A 21 -6.279 -15.514 1.866 1.00 0.00 C ATOM 273 O GLU A 21 -7.151 -16.235 2.349 1.00 0.00 O ATOM 274 CB GLU A 21 -4.208 -16.663 2.670 1.00 0.00 C ATOM 275 CG GLU A 21 -4.094 -17.393 1.342 1.00 0.00 C ATOM 276 CD GLU A 21 -2.930 -18.365 1.308 1.00 0.00 C ATOM 277 OE1 GLU A 21 -2.858 -19.234 2.202 1.00 0.00 O ATOM 278 OE2 GLU A 21 -2.092 -18.256 0.389 1.00 0.00 O ATOM 0 H GLU A 21 -4.639 -15.243 4.645 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.336 -14.629 1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.208 -16.493 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.730 -17.302 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.020 -17.934 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.977 -16.664 0.540 1.00 0.00 H new ATOM 285 N GLY A 22 -6.435 -14.859 0.719 1.00 0.00 N ATOM 286 CA GLY A 22 -7.670 -14.969 -0.035 1.00 0.00 C ATOM 287 C GLY A 22 -8.556 -13.749 0.123 1.00 0.00 C ATOM 288 O GLY A 22 -9.650 -13.690 -0.438 1.00 0.00 O ATOM 0 H GLY A 22 -5.729 -14.255 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.437 -15.111 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.214 -15.855 0.293 1.00 0.00 H new ATOM 292 N ALA A 23 -8.084 -12.773 0.891 1.00 0.00 N ATOM 293 CA ALA A 23 -8.841 -11.548 1.122 1.00 0.00 C ATOM 294 C ALA A 23 -8.299 -10.400 0.277 1.00 0.00 C ATOM 295 O ALA A 23 -7.361 -10.577 -0.502 1.00 0.00 O ATOM 296 CB ALA A 23 -8.811 -11.180 2.598 1.00 0.00 C ATOM 0 H ALA A 23 -7.181 -12.806 1.364 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.874 -11.727 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.380 -10.264 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.252 -11.987 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.779 -11.025 2.914 1.00 0.00 H new ATOM 302 N THR A 24 -8.894 -9.222 0.435 1.00 0.00 N ATOM 303 CA THR A 24 -8.473 -8.046 -0.314 1.00 0.00 C ATOM 304 C THR A 24 -7.949 -6.959 0.618 1.00 0.00 C ATOM 305 O THR A 24 -8.711 -6.356 1.373 1.00 0.00 O ATOM 306 CB THR A 24 -9.628 -7.472 -1.156 1.00 0.00 C ATOM 307 OG1 THR A 24 -10.168 -8.490 -2.005 1.00 0.00 O ATOM 308 CG2 THR A 24 -9.152 -6.300 -2.001 1.00 0.00 C ATOM 0 H THR A 24 -9.670 -9.058 1.076 1.00 0.00 H new ATOM 0 HA THR A 24 -7.672 -8.366 -0.981 1.00 0.00 H new ATOM 0 HB THR A 24 -10.403 -7.118 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.903 -8.118 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.985 -5.912 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.769 -5.514 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.361 -6.633 -2.672 1.00 0.00 H new ATOM 316 N ALA A 25 -6.644 -6.714 0.559 1.00 0.00 N ATOM 317 CA ALA A 25 -6.019 -5.697 1.396 1.00 0.00 C ATOM 318 C ALA A 25 -5.567 -4.502 0.563 1.00 0.00 C ATOM 319 O ALA A 25 -5.472 -4.586 -0.662 1.00 0.00 O ATOM 320 CB ALA A 25 -4.842 -6.290 2.156 1.00 0.00 C ATOM 0 H ALA A 25 -5.999 -7.206 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.760 -5.346 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.385 -5.520 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.191 -7.106 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.106 -6.670 1.448 1.00 0.00 H new ATOM 326 N THR A 26 -5.289 -3.390 1.235 1.00 0.00 N ATOM 327 CA THR A 26 -4.849 -2.177 0.557 1.00 0.00 C ATOM 328 C THR A 26 -4.046 -1.283 1.496 1.00 0.00 C ATOM 329 O THR A 26 -4.231 -1.319 2.713 1.00 0.00 O ATOM 330 CB THR A 26 -6.043 -1.378 0.002 1.00 0.00 C ATOM 331 OG1 THR A 26 -5.634 -0.614 -1.138 1.00 0.00 O ATOM 332 CG2 THR A 26 -6.613 -0.449 1.064 1.00 0.00 C ATOM 0 H THR A 26 -5.361 -3.304 2.249 1.00 0.00 H new ATOM 0 HA THR A 26 -4.215 -2.491 -0.272 1.00 0.00 H new ATOM 0 HB THR A 26 -6.818 -2.084 -0.294 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.758 -0.210 -0.964 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.455 0.105 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.950 -1.036 1.918 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.842 0.251 1.387 1.00 0.00 H new ATOM 340 N LEU A 27 -3.155 -0.481 0.923 1.00 0.00 N ATOM 341 CA LEU A 27 -2.324 0.424 1.709 1.00 0.00 C ATOM 342 C LEU A 27 -2.679 1.879 1.420 1.00 0.00 C ATOM 343 O LEU A 27 -2.818 2.275 0.263 1.00 0.00 O ATOM 344 CB LEU A 27 -0.844 0.179 1.409 1.00 0.00 C ATOM 345 CG LEU A 27 -0.280 -1.166 1.867 1.00 0.00 C ATOM 346 CD1 LEU A 27 1.022 -1.474 1.143 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.068 -1.170 3.374 1.00 0.00 C ATOM 0 H LEU A 27 -2.990 -0.439 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.512 0.226 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.693 0.266 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.263 0.973 1.878 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.002 -1.944 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.408 -2.435 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.840 -1.514 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.752 -0.693 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.334 -2.135 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.634 -0.381 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.020 -0.996 3.876 1.00 0.00 H new ATOM 359 N GLN A 28 -2.822 2.669 2.479 1.00 0.00 N ATOM 360 CA GLN A 28 -3.159 4.081 2.338 1.00 0.00 C ATOM 361 C GLN A 28 -2.009 4.965 2.807 1.00 0.00 C ATOM 362 O GLN A 28 -1.406 4.714 3.852 1.00 0.00 O ATOM 363 CB GLN A 28 -4.425 4.406 3.132 1.00 0.00 C ATOM 364 CG GLN A 28 -5.245 5.538 2.533 1.00 0.00 C ATOM 365 CD GLN A 28 -6.719 5.435 2.875 1.00 0.00 C ATOM 366 OE1 GLN A 28 -7.104 5.508 4.042 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.552 5.264 1.855 1.00 0.00 N ATOM 0 H GLN A 28 -2.710 2.356 3.443 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.339 4.282 1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.045 3.512 3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.146 4.671 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.858 6.492 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.126 5.534 1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.189 5.209 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.555 5.188 2.023 1.00 0.00 H new ATOM 376 N CYS A 29 -1.709 6.000 2.030 1.00 0.00 N ATOM 377 CA CYS A 29 -0.630 6.921 2.366 1.00 0.00 C ATOM 378 C CYS A 29 -0.997 8.352 1.984 1.00 0.00 C ATOM 379 O CYS A 29 -2.088 8.607 1.476 1.00 0.00 O ATOM 380 CB CYS A 29 0.661 6.507 1.659 1.00 0.00 C ATOM 381 SG CYS A 29 0.489 6.298 -0.129 1.00 0.00 S ATOM 0 H CYS A 29 -2.198 6.222 1.163 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.474 6.881 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.426 7.258 1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.015 5.571 2.091 1.00 0.00 H new ATOM 0 HG CYS A 29 -0.741 5.988 -0.413 1.00 0.00 H new ATOM 387 N GLU A 30 -0.078 9.280 2.233 1.00 0.00 N ATOM 388 CA GLU A 30 -0.307 10.685 1.917 1.00 0.00 C ATOM 389 C GLU A 30 1.003 11.384 1.566 1.00 0.00 C ATOM 390 O GLU A 30 2.035 11.144 2.194 1.00 0.00 O ATOM 391 CB GLU A 30 -0.977 11.393 3.096 1.00 0.00 C ATOM 392 CG GLU A 30 -1.768 12.627 2.695 1.00 0.00 C ATOM 393 CD GLU A 30 -2.407 13.321 3.882 1.00 0.00 C ATOM 394 OE1 GLU A 30 -1.669 13.950 4.669 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.645 13.236 4.024 1.00 0.00 O ATOM 0 H GLU A 30 0.831 9.084 2.652 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.967 10.734 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.643 10.692 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.213 11.680 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.108 13.326 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.544 12.342 1.985 1.00 0.00 H new ATOM 402 N LEU A 31 0.954 12.249 0.559 1.00 0.00 N ATOM 403 CA LEU A 31 2.137 12.984 0.123 1.00 0.00 C ATOM 404 C LEU A 31 1.976 14.478 0.385 1.00 0.00 C ATOM 405 O LEU A 31 0.871 15.016 0.311 1.00 0.00 O ATOM 406 CB LEU A 31 2.394 12.739 -1.365 1.00 0.00 C ATOM 407 CG LEU A 31 2.839 11.327 -1.746 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.623 11.082 -3.231 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.298 11.109 -1.374 1.00 0.00 C ATOM 0 H LEU A 31 0.108 12.459 0.029 1.00 0.00 H new ATOM 0 HA LEU A 31 2.991 12.624 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.481 12.971 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.156 13.442 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 31 2.233 10.613 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.945 10.072 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.565 11.195 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.203 11.803 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.597 10.099 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.920 11.831 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.423 11.241 -0.299 1.00 0.00 H new ATOM 421 N SER A 32 3.086 15.143 0.688 1.00 0.00 N ATOM 422 CA SER A 32 3.069 16.575 0.961 1.00 0.00 C ATOM 423 C SER A 32 2.215 17.314 -0.065 1.00 0.00 C ATOM 424 O SER A 32 1.706 18.403 0.201 1.00 0.00 O ATOM 425 CB SER A 32 4.493 17.135 0.955 1.00 0.00 C ATOM 426 OG SER A 32 4.485 18.548 0.858 1.00 0.00 O ATOM 0 H SER A 32 4.009 14.713 0.751 1.00 0.00 H new ATOM 0 HA SER A 32 2.632 16.726 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.010 16.833 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.049 16.713 0.118 1.00 0.00 H new ATOM 0 HG SER A 32 5.407 18.881 0.858 1.00 0.00 H new ATOM 432 N LYS A 33 2.063 16.713 -1.241 1.00 0.00 N ATOM 433 CA LYS A 33 1.271 17.311 -2.309 1.00 0.00 C ATOM 434 C LYS A 33 1.150 16.359 -3.495 1.00 0.00 C ATOM 435 O LYS A 33 2.073 15.599 -3.789 1.00 0.00 O ATOM 436 CB LYS A 33 1.901 18.630 -2.762 1.00 0.00 C ATOM 437 CG LYS A 33 3.316 18.477 -3.294 1.00 0.00 C ATOM 438 CD LYS A 33 3.906 19.817 -3.701 1.00 0.00 C ATOM 439 CE LYS A 33 4.503 20.548 -2.509 1.00 0.00 C ATOM 440 NZ LYS A 33 5.256 21.764 -2.924 1.00 0.00 N ATOM 0 H LYS A 33 2.478 15.812 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 33 0.272 17.508 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.276 19.074 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.910 19.326 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.945 18.018 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.313 17.804 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.676 19.662 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.131 20.434 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.707 20.831 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.169 19.876 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.647 22.234 -2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.032 21.491 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.615 22.417 -3.419 1.00 0.00 H new ATOM 454 N ALA A 34 0.008 16.407 -4.173 1.00 0.00 N ATOM 455 CA ALA A 34 -0.231 15.552 -5.328 1.00 0.00 C ATOM 456 C ALA A 34 1.034 15.395 -6.166 1.00 0.00 C ATOM 457 O ALA A 34 1.599 16.378 -6.644 1.00 0.00 O ATOM 458 CB ALA A 34 -1.362 16.115 -6.177 1.00 0.00 C ATOM 0 H ALA A 34 -0.766 17.029 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.520 14.566 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.530 15.466 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.273 16.169 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.095 17.114 -6.523 1.00 0.00 H new ATOM 464 N ALA A 35 1.473 14.153 -6.339 1.00 0.00 N ATOM 465 CA ALA A 35 2.670 13.867 -7.120 1.00 0.00 C ATOM 466 C ALA A 35 2.732 12.395 -7.512 1.00 0.00 C ATOM 467 O ALA A 35 2.191 11.523 -6.831 1.00 0.00 O ATOM 468 CB ALA A 35 3.916 14.261 -6.340 1.00 0.00 C ATOM 0 H ALA A 35 1.017 13.328 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 35 2.626 14.457 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.802 14.042 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.883 15.327 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.956 13.696 -5.409 1.00 0.00 H new ATOM 474 N PRO A 36 3.406 12.109 -8.635 1.00 0.00 N ATOM 475 CA PRO A 36 3.554 10.741 -9.143 1.00 0.00 C ATOM 476 C PRO A 36 4.465 9.892 -8.264 1.00 0.00 C ATOM 477 O PRO A 36 5.477 10.373 -7.754 1.00 0.00 O ATOM 478 CB PRO A 36 4.180 10.942 -10.525 1.00 0.00 C ATOM 479 CG PRO A 36 4.890 12.249 -10.434 1.00 0.00 C ATOM 480 CD PRO A 36 4.076 13.097 -9.497 1.00 0.00 C ATOM 0 HA PRO A 36 2.603 10.209 -9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.869 10.133 -10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.419 10.958 -11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.905 12.117 -10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.971 12.718 -11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.705 13.773 -8.919 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.356 13.713 -10.036 1.00 0.00 H new ATOM 488 N VAL A 37 4.100 8.626 -8.090 1.00 0.00 N ATOM 489 CA VAL A 37 4.886 7.709 -7.273 1.00 0.00 C ATOM 490 C VAL A 37 4.935 6.320 -7.899 1.00 0.00 C ATOM 491 O VAL A 37 4.232 6.041 -8.869 1.00 0.00 O ATOM 492 CB VAL A 37 4.315 7.597 -5.847 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.373 8.943 -5.141 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.890 7.067 -5.884 1.00 0.00 C ATOM 0 H VAL A 37 3.265 8.212 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 37 5.895 8.117 -7.221 1.00 0.00 H new ATOM 0 HB VAL A 37 4.926 6.892 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.965 8.844 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.408 9.278 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.787 9.673 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.502 6.994 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.264 7.746 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.881 6.080 -6.347 1.00 0.00 H new ATOM 504 N GLU A 38 5.771 5.452 -7.337 1.00 0.00 N ATOM 505 CA GLU A 38 5.912 4.091 -7.841 1.00 0.00 C ATOM 506 C GLU A 38 6.079 3.100 -6.693 1.00 0.00 C ATOM 507 O GLU A 38 6.883 3.315 -5.786 1.00 0.00 O ATOM 508 CB GLU A 38 7.109 3.996 -8.789 1.00 0.00 C ATOM 509 CG GLU A 38 7.022 2.835 -9.765 1.00 0.00 C ATOM 510 CD GLU A 38 5.860 2.969 -10.729 1.00 0.00 C ATOM 511 OE1 GLU A 38 4.713 2.696 -10.317 1.00 0.00 O ATOM 512 OE2 GLU A 38 6.096 3.346 -11.896 1.00 0.00 O ATOM 0 H GLU A 38 6.360 5.667 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 38 5.004 3.838 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.191 4.926 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.021 3.897 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.952 2.770 -10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.921 1.904 -9.208 1.00 0.00 H new ATOM 519 N TRP A 39 5.314 2.016 -6.739 1.00 0.00 N ATOM 520 CA TRP A 39 5.376 0.991 -5.703 1.00 0.00 C ATOM 521 C TRP A 39 6.341 -0.122 -6.095 1.00 0.00 C ATOM 522 O TRP A 39 6.459 -0.468 -7.270 1.00 0.00 O ATOM 523 CB TRP A 39 3.984 0.410 -5.447 1.00 0.00 C ATOM 524 CG TRP A 39 2.976 1.441 -5.038 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.420 2.404 -5.831 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.406 1.612 -3.736 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.539 3.163 -5.100 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.511 2.697 -3.812 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.562 0.953 -2.513 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.778 3.137 -2.713 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.834 1.391 -1.423 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.951 2.473 -1.529 1.00 0.00 C ATOM 0 H TRP A 39 4.643 1.824 -7.483 1.00 0.00 H new ATOM 0 HA TRP A 39 5.741 1.457 -4.788 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.635 -0.090 -6.350 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.053 -0.350 -4.668 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.641 2.548 -6.878 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.994 3.947 -5.458 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.239 0.117 -2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.098 3.972 -2.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.948 0.890 -0.473 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.395 2.790 -0.659 1.00 0.00 H new ATOM 543 N ARG A 40 7.029 -0.678 -5.104 1.00 0.00 N ATOM 544 CA ARG A 40 7.985 -1.752 -5.346 1.00 0.00 C ATOM 545 C ARG A 40 8.058 -2.696 -4.150 1.00 0.00 C ATOM 546 O ARG A 40 8.183 -2.259 -3.006 1.00 0.00 O ATOM 547 CB ARG A 40 9.371 -1.174 -5.638 1.00 0.00 C ATOM 548 CG ARG A 40 9.451 -0.416 -6.953 1.00 0.00 C ATOM 549 CD ARG A 40 10.889 -0.269 -7.425 1.00 0.00 C ATOM 550 NE ARG A 40 10.967 0.233 -8.794 1.00 0.00 N ATOM 551 CZ ARG A 40 12.038 0.836 -9.296 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.117 1.011 -8.546 1.00 0.00 N ATOM 553 NH2 ARG A 40 12.033 1.265 -10.552 1.00 0.00 N ATOM 0 H ARG A 40 6.943 -0.403 -4.126 1.00 0.00 H new ATOM 0 HA ARG A 40 7.644 -2.318 -6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.655 -0.505 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.098 -1.986 -5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.870 -0.940 -7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.004 0.571 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.421 0.410 -6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.391 -1.235 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 40 10.154 0.114 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.126 0.682 -7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.938 1.475 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.205 1.132 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.857 1.728 -10.936 1.00 0.00 H new ATOM 567 N LYS A 41 7.977 -3.995 -4.422 1.00 0.00 N ATOM 568 CA LYS A 41 8.034 -5.002 -3.369 1.00 0.00 C ATOM 569 C LYS A 41 9.471 -5.451 -3.123 1.00 0.00 C ATOM 570 O LYS A 41 10.040 -6.205 -3.910 1.00 0.00 O ATOM 571 CB LYS A 41 7.169 -6.208 -3.742 1.00 0.00 C ATOM 572 CG LYS A 41 6.733 -7.037 -2.546 1.00 0.00 C ATOM 573 CD LYS A 41 6.079 -8.338 -2.978 1.00 0.00 C ATOM 574 CE LYS A 41 4.677 -8.105 -3.520 1.00 0.00 C ATOM 575 NZ LYS A 41 4.002 -9.383 -3.879 1.00 0.00 N ATOM 0 H LYS A 41 7.872 -4.374 -5.363 1.00 0.00 H new ATOM 0 HA LYS A 41 7.649 -4.556 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.284 -5.859 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.725 -6.844 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.597 -7.254 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.034 -6.462 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.691 -8.817 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.033 -9.022 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.082 -7.577 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.729 -7.463 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.976 -9.286 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.193 -9.608 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.365 -10.149 -3.276 1.00 0.00 H new ATOM 589 N GLY A 42 10.053 -4.982 -2.022 1.00 0.00 N ATOM 590 CA GLY A 42 11.418 -5.347 -1.691 1.00 0.00 C ATOM 591 C GLY A 42 12.400 -4.969 -2.782 1.00 0.00 C ATOM 592 O GLY A 42 12.997 -3.892 -2.744 1.00 0.00 O ATOM 0 H GLY A 42 9.603 -4.356 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.707 -4.857 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.471 -6.421 -1.515 1.00 0.00 H new ATOM 596 N LEU A 43 12.569 -5.856 -3.757 1.00 0.00 N ATOM 597 CA LEU A 43 13.488 -5.610 -4.863 1.00 0.00 C ATOM 598 C LEU A 43 12.811 -5.883 -6.203 1.00 0.00 C ATOM 599 O LEU A 43 13.474 -6.205 -7.189 1.00 0.00 O ATOM 600 CB LEU A 43 14.734 -6.485 -4.721 1.00 0.00 C ATOM 601 CG LEU A 43 15.930 -6.096 -5.591 1.00 0.00 C ATOM 602 CD1 LEU A 43 16.602 -4.845 -5.048 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.925 -7.245 -5.675 1.00 0.00 C ATOM 0 H LEU A 43 12.082 -6.751 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 43 13.783 -4.561 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.048 -6.468 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.460 -7.514 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 43 15.568 -5.881 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.451 -4.584 -5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.888 -4.022 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.950 -5.031 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.769 -6.950 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.281 -7.492 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.438 -8.117 -6.112 1.00 0.00 H new ATOM 615 N GLU A 44 11.489 -5.749 -6.231 1.00 0.00 N ATOM 616 CA GLU A 44 10.724 -5.979 -7.451 1.00 0.00 C ATOM 617 C GLU A 44 10.080 -4.686 -7.942 1.00 0.00 C ATOM 618 O GLU A 44 9.742 -3.808 -7.148 1.00 0.00 O ATOM 619 CB GLU A 44 9.647 -7.039 -7.211 1.00 0.00 C ATOM 620 CG GLU A 44 8.910 -7.454 -8.473 1.00 0.00 C ATOM 621 CD GLU A 44 9.612 -8.573 -9.217 1.00 0.00 C ATOM 622 OE1 GLU A 44 9.346 -9.753 -8.905 1.00 0.00 O ATOM 623 OE2 GLU A 44 10.427 -8.269 -10.113 1.00 0.00 O ATOM 0 H GLU A 44 10.926 -5.483 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 44 11.411 -6.336 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.109 -7.919 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.926 -6.656 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.901 -7.773 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.811 -6.591 -9.132 1.00 0.00 H new ATOM 630 N ALA A 45 9.914 -4.577 -9.256 1.00 0.00 N ATOM 631 CA ALA A 45 9.310 -3.393 -9.853 1.00 0.00 C ATOM 632 C ALA A 45 7.832 -3.622 -10.154 1.00 0.00 C ATOM 633 O ALA A 45 7.482 -4.232 -11.166 1.00 0.00 O ATOM 634 CB ALA A 45 10.054 -3.003 -11.122 1.00 0.00 C ATOM 0 H ALA A 45 10.189 -5.294 -9.927 1.00 0.00 H new ATOM 0 HA ALA A 45 9.386 -2.577 -9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.592 -2.117 -11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.095 -2.788 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.009 -3.824 -11.837 1.00 0.00 H new ATOM 640 N LEU A 46 6.970 -3.132 -9.270 1.00 0.00 N ATOM 641 CA LEU A 46 5.530 -3.285 -9.441 1.00 0.00 C ATOM 642 C LEU A 46 4.989 -2.269 -10.441 1.00 0.00 C ATOM 643 O LEU A 46 5.562 -1.194 -10.620 1.00 0.00 O ATOM 644 CB LEU A 46 4.817 -3.124 -8.097 1.00 0.00 C ATOM 645 CG LEU A 46 5.159 -4.161 -7.027 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.326 -3.932 -5.775 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.946 -5.569 -7.562 1.00 0.00 C ATOM 0 H LEU A 46 7.243 -2.626 -8.428 1.00 0.00 H new ATOM 0 HA LEU A 46 5.340 -4.286 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.048 -2.135 -7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.742 -3.154 -8.273 1.00 0.00 H new ATOM 0 HG LEU A 46 6.211 -4.049 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.583 -4.680 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.529 -2.937 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.268 -4.015 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.194 -6.294 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.903 -5.693 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.588 -5.730 -8.428 1.00 0.00 H new ATOM 659 N ARG A 47 3.882 -2.615 -11.090 1.00 0.00 N ATOM 660 CA ARG A 47 3.263 -1.733 -12.072 1.00 0.00 C ATOM 661 C ARG A 47 1.742 -1.812 -11.991 1.00 0.00 C ATOM 662 O ARG A 47 1.190 -2.701 -11.343 1.00 0.00 O ATOM 663 CB ARG A 47 3.730 -2.097 -13.482 1.00 0.00 C ATOM 664 CG ARG A 47 3.630 -3.582 -13.792 1.00 0.00 C ATOM 665 CD ARG A 47 4.901 -4.320 -13.399 1.00 0.00 C ATOM 666 NE ARG A 47 5.876 -4.347 -14.487 1.00 0.00 N ATOM 667 CZ ARG A 47 5.712 -5.048 -15.603 1.00 0.00 C ATOM 668 NH1 ARG A 47 4.616 -5.774 -15.779 1.00 0.00 N ATOM 669 NH2 ARG A 47 6.644 -5.022 -16.547 1.00 0.00 N ATOM 0 H ARG A 47 3.395 -3.501 -10.953 1.00 0.00 H new ATOM 0 HA ARG A 47 3.568 -0.711 -11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.135 -1.542 -14.207 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.764 -1.777 -13.607 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.780 -4.010 -13.260 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.442 -3.721 -14.857 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.344 -3.840 -12.527 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.653 -5.341 -13.109 1.00 0.00 H new ATOM 0 HE ARG A 47 6.729 -3.797 -14.384 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.897 -5.795 -15.056 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.493 -6.311 -16.637 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.487 -4.463 -16.416 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.517 -5.561 -17.404 1.00 0.00 H new ATOM 683 N ASP A 48 1.070 -0.877 -12.654 1.00 0.00 N ATOM 684 CA ASP A 48 -0.388 -0.841 -12.658 1.00 0.00 C ATOM 685 C ASP A 48 -0.952 -1.798 -13.703 1.00 0.00 C ATOM 686 O ASP A 48 -0.618 -1.711 -14.884 1.00 0.00 O ATOM 687 CB ASP A 48 -0.883 0.580 -12.931 1.00 0.00 C ATOM 688 CG ASP A 48 -0.234 1.195 -14.155 1.00 0.00 C ATOM 689 OD1 ASP A 48 0.994 1.425 -14.124 1.00 0.00 O ATOM 690 OD2 ASP A 48 -0.953 1.446 -15.144 1.00 0.00 O ATOM 0 H ASP A 48 1.512 -0.134 -13.196 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.738 -1.157 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.965 0.565 -13.066 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.679 1.206 -12.062 1.00 0.00 H new ATOM 695 N GLY A 49 -1.808 -2.714 -13.259 1.00 0.00 N ATOM 696 CA GLY A 49 -2.404 -3.675 -14.169 1.00 0.00 C ATOM 697 C GLY A 49 -3.667 -4.298 -13.608 1.00 0.00 C ATOM 698 O GLY A 49 -4.564 -3.592 -13.148 1.00 0.00 O ATOM 0 H GLY A 49 -2.099 -2.808 -12.286 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.634 -3.182 -15.114 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.681 -4.461 -14.387 1.00 0.00 H new ATOM 702 N ASP A 50 -3.738 -5.624 -13.646 1.00 0.00 N ATOM 703 CA ASP A 50 -4.900 -6.343 -13.138 1.00 0.00 C ATOM 704 C ASP A 50 -4.680 -6.781 -11.694 1.00 0.00 C ATOM 705 O ASP A 50 -5.359 -6.310 -10.781 1.00 0.00 O ATOM 706 CB ASP A 50 -5.196 -7.562 -14.014 1.00 0.00 C ATOM 707 CG ASP A 50 -6.387 -8.357 -13.516 1.00 0.00 C ATOM 708 OD1 ASP A 50 -6.378 -8.762 -12.334 1.00 0.00 O ATOM 709 OD2 ASP A 50 -7.327 -8.575 -14.308 1.00 0.00 O ATOM 0 H ASP A 50 -3.004 -6.223 -14.024 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.755 -5.668 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.384 -7.234 -15.036 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.318 -8.207 -14.042 1.00 0.00 H new ATOM 714 N LYS A 51 -3.727 -7.685 -11.493 1.00 0.00 N ATOM 715 CA LYS A 51 -3.416 -8.187 -10.160 1.00 0.00 C ATOM 716 C LYS A 51 -3.432 -7.057 -9.136 1.00 0.00 C ATOM 717 O LYS A 51 -3.991 -7.199 -8.048 1.00 0.00 O ATOM 718 CB LYS A 51 -2.049 -8.873 -10.157 1.00 0.00 C ATOM 719 CG LYS A 51 -1.660 -9.449 -8.807 1.00 0.00 C ATOM 720 CD LYS A 51 -2.484 -10.680 -8.468 1.00 0.00 C ATOM 721 CE LYS A 51 -1.999 -11.339 -7.185 1.00 0.00 C ATOM 722 NZ LYS A 51 -2.430 -12.762 -7.096 1.00 0.00 N ATOM 0 H LYS A 51 -3.156 -8.085 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.181 -8.914 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.052 -9.674 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.291 -8.154 -10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.601 -9.709 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.799 -8.693 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.532 -10.400 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.428 -11.394 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.911 -11.285 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.383 -10.789 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.080 -13.176 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.469 -12.812 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.043 -13.293 -7.902 1.00 0.00 H new ATOM 736 N TYR A 52 -2.817 -5.934 -9.491 1.00 0.00 N ATOM 737 CA TYR A 52 -2.760 -4.780 -8.602 1.00 0.00 C ATOM 738 C TYR A 52 -3.645 -3.650 -9.119 1.00 0.00 C ATOM 739 O TYR A 52 -3.806 -3.475 -10.326 1.00 0.00 O ATOM 740 CB TYR A 52 -1.318 -4.290 -8.460 1.00 0.00 C ATOM 741 CG TYR A 52 -0.403 -5.287 -7.787 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.488 -5.525 -6.421 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.548 -5.990 -8.516 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.347 -6.435 -5.801 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.385 -6.903 -7.905 1.00 0.00 C ATOM 746 CZ TYR A 52 1.282 -7.122 -6.547 1.00 0.00 C ATOM 747 OH TYR A 52 2.115 -8.029 -5.935 1.00 0.00 O ATOM 0 H TYR A 52 -2.351 -5.799 -10.388 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.130 -5.088 -7.624 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.923 -4.057 -9.449 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.313 -3.362 -7.888 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.219 -4.990 -5.833 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.634 -5.820 -9.579 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.268 -6.607 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.117 -7.443 -8.488 1.00 0.00 H new ATOM 0 HH TYR A 52 2.713 -8.426 -6.602 1.00 0.00 H new ATOM 757 N SER A 53 -4.216 -2.884 -8.194 1.00 0.00 N ATOM 758 CA SER A 53 -5.088 -1.772 -8.555 1.00 0.00 C ATOM 759 C SER A 53 -4.535 -0.454 -8.022 1.00 0.00 C ATOM 760 O SER A 53 -4.572 -0.192 -6.819 1.00 0.00 O ATOM 761 CB SER A 53 -6.498 -2.004 -8.009 1.00 0.00 C ATOM 762 OG SER A 53 -7.268 -2.788 -8.903 1.00 0.00 O ATOM 0 H SER A 53 -4.090 -3.013 -7.190 1.00 0.00 H new ATOM 0 HA SER A 53 -5.132 -1.715 -9.643 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.439 -2.502 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.990 -1.045 -7.845 1.00 0.00 H new ATOM 0 HG SER A 53 -8.164 -2.924 -8.531 1.00 0.00 H new ATOM 768 N LEU A 54 -4.021 0.374 -8.926 1.00 0.00 N ATOM 769 CA LEU A 54 -3.460 1.666 -8.548 1.00 0.00 C ATOM 770 C LEU A 54 -4.489 2.778 -8.722 1.00 0.00 C ATOM 771 O LEU A 54 -5.287 2.759 -9.659 1.00 0.00 O ATOM 772 CB LEU A 54 -2.218 1.969 -9.388 1.00 0.00 C ATOM 773 CG LEU A 54 -0.910 1.340 -8.905 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.615 1.757 -7.472 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.974 -0.176 -9.019 1.00 0.00 C ATOM 0 H LEU A 54 -3.981 0.173 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.178 1.619 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.404 1.634 -10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.085 3.050 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.100 1.698 -9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.319 1.300 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.526 2.842 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.426 1.428 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.035 -0.607 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.794 -0.552 -8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.138 -0.456 -10.060 1.00 0.00 H new ATOM 787 N ARG A 55 -4.463 3.748 -7.813 1.00 0.00 N ATOM 788 CA ARG A 55 -5.393 4.870 -7.866 1.00 0.00 C ATOM 789 C ARG A 55 -4.915 6.014 -6.977 1.00 0.00 C ATOM 790 O ARG A 55 -4.067 5.823 -6.106 1.00 0.00 O ATOM 791 CB ARG A 55 -6.790 4.422 -7.433 1.00 0.00 C ATOM 792 CG ARG A 55 -6.831 3.817 -6.040 1.00 0.00 C ATOM 793 CD ARG A 55 -8.260 3.631 -5.555 1.00 0.00 C ATOM 794 NE ARG A 55 -8.355 2.618 -4.507 1.00 0.00 N ATOM 795 CZ ARG A 55 -9.499 2.062 -4.123 1.00 0.00 C ATOM 796 NH1 ARG A 55 -10.639 2.418 -4.700 1.00 0.00 N ATOM 797 NH2 ARG A 55 -9.504 1.148 -3.162 1.00 0.00 N ATOM 0 H ARG A 55 -3.808 3.779 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.436 5.226 -8.895 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.464 5.278 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.166 3.691 -8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.319 2.855 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.291 4.462 -5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.641 4.580 -5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.893 3.344 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.496 2.321 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.639 3.120 -5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.516 1.990 -4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.629 0.871 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.383 0.722 -2.868 1.00 0.00 H new ATOM 811 N GLN A 56 -5.465 7.203 -7.205 1.00 0.00 N ATOM 812 CA GLN A 56 -5.094 8.378 -6.426 1.00 0.00 C ATOM 813 C GLN A 56 -6.300 9.284 -6.199 1.00 0.00 C ATOM 814 O GLN A 56 -7.181 9.386 -7.053 1.00 0.00 O ATOM 815 CB GLN A 56 -3.983 9.155 -7.133 1.00 0.00 C ATOM 816 CG GLN A 56 -2.685 8.376 -7.266 1.00 0.00 C ATOM 817 CD GLN A 56 -1.645 9.111 -8.088 1.00 0.00 C ATOM 818 OE1 GLN A 56 -1.647 9.044 -9.318 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.748 9.819 -7.411 1.00 0.00 N ATOM 0 H GLN A 56 -6.169 7.377 -7.923 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.730 8.039 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.328 9.443 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.789 10.076 -6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.283 8.176 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.891 7.410 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.784 9.847 -6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.024 10.335 -7.910 1.00 0.00 H new ATOM 828 N ASP A 57 -6.333 9.938 -5.043 1.00 0.00 N ATOM 829 CA ASP A 57 -7.431 10.836 -4.704 1.00 0.00 C ATOM 830 C ASP A 57 -6.902 12.171 -4.189 1.00 0.00 C ATOM 831 O ASP A 57 -7.307 12.643 -3.127 1.00 0.00 O ATOM 832 CB ASP A 57 -8.338 10.193 -3.654 1.00 0.00 C ATOM 833 CG ASP A 57 -9.629 10.963 -3.454 1.00 0.00 C ATOM 834 OD1 ASP A 57 -10.022 11.711 -4.374 1.00 0.00 O ATOM 835 OD2 ASP A 57 -10.246 10.817 -2.379 1.00 0.00 O ATOM 0 H ASP A 57 -5.612 9.863 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.010 11.020 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.571 9.172 -3.955 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.804 10.132 -2.706 1.00 0.00 H new ATOM 840 N GLY A 58 -5.992 12.774 -4.948 1.00 0.00 N ATOM 841 CA GLY A 58 -5.421 14.048 -4.551 1.00 0.00 C ATOM 842 C GLY A 58 -4.519 13.926 -3.340 1.00 0.00 C ATOM 843 O GLY A 58 -4.990 13.937 -2.203 1.00 0.00 O ATOM 0 H GLY A 58 -5.640 12.403 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.853 14.463 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.225 14.751 -4.332 1.00 0.00 H new ATOM 847 N ALA A 59 -3.218 13.808 -3.582 1.00 0.00 N ATOM 848 CA ALA A 59 -2.247 13.684 -2.502 1.00 0.00 C ATOM 849 C ALA A 59 -2.517 12.440 -1.662 1.00 0.00 C ATOM 850 O ALA A 59 -2.149 12.379 -0.489 1.00 0.00 O ATOM 851 CB ALA A 59 -2.270 14.929 -1.627 1.00 0.00 C ATOM 0 H ALA A 59 -2.812 13.796 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.257 13.583 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.540 14.823 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.022 15.802 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.265 15.054 -1.199 1.00 0.00 H new ATOM 857 N VAL A 60 -3.161 11.449 -2.271 1.00 0.00 N ATOM 858 CA VAL A 60 -3.479 10.206 -1.579 1.00 0.00 C ATOM 859 C VAL A 60 -3.433 9.018 -2.534 1.00 0.00 C ATOM 860 O VAL A 60 -4.160 8.979 -3.527 1.00 0.00 O ATOM 861 CB VAL A 60 -4.871 10.269 -0.923 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.185 8.963 -0.209 1.00 0.00 C ATOM 863 CG2 VAL A 60 -4.954 11.445 0.039 1.00 0.00 C ATOM 0 H VAL A 60 -3.472 11.483 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.725 10.074 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.616 10.416 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.172 9.027 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.170 8.143 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.438 8.782 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.944 11.474 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.200 11.331 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.777 12.373 -0.505 1.00 0.00 H new ATOM 873 N CYS A 61 -2.575 8.052 -2.226 1.00 0.00 N ATOM 874 CA CYS A 61 -2.433 6.862 -3.058 1.00 0.00 C ATOM 875 C CYS A 61 -2.928 5.622 -2.321 1.00 0.00 C ATOM 876 O CYS A 61 -2.791 5.516 -1.102 1.00 0.00 O ATOM 877 CB CYS A 61 -0.973 6.675 -3.472 1.00 0.00 C ATOM 878 SG CYS A 61 -0.275 8.080 -4.370 1.00 0.00 S ATOM 0 H CYS A 61 -1.967 8.069 -1.407 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.042 6.999 -3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.374 6.494 -2.580 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.894 5.784 -4.095 1.00 0.00 H new ATOM 0 HG CYS A 61 0.946 8.286 -3.973 1.00 0.00 H new ATOM 884 N GLU A 62 -3.506 4.687 -3.068 1.00 0.00 N ATOM 885 CA GLU A 62 -4.023 3.455 -2.484 1.00 0.00 C ATOM 886 C GLU A 62 -3.707 2.256 -3.374 1.00 0.00 C ATOM 887 O GLU A 62 -4.128 2.199 -4.531 1.00 0.00 O ATOM 888 CB GLU A 62 -5.535 3.561 -2.271 1.00 0.00 C ATOM 889 CG GLU A 62 -6.046 2.726 -1.109 1.00 0.00 C ATOM 890 CD GLU A 62 -7.560 2.699 -1.032 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.193 3.691 -1.452 1.00 0.00 O ATOM 892 OE2 GLU A 62 -8.112 1.688 -0.551 1.00 0.00 O ATOM 0 H GLU A 62 -3.628 4.759 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.536 3.308 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.797 4.605 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.045 3.250 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.673 1.707 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.645 3.124 -0.177 1.00 0.00 H new ATOM 899 N LEU A 63 -2.964 1.301 -2.827 1.00 0.00 N ATOM 900 CA LEU A 63 -2.590 0.102 -3.571 1.00 0.00 C ATOM 901 C LEU A 63 -3.404 -1.102 -3.107 1.00 0.00 C ATOM 902 O LEU A 63 -3.196 -1.617 -2.009 1.00 0.00 O ATOM 903 CB LEU A 63 -1.096 -0.181 -3.401 1.00 0.00 C ATOM 904 CG LEU A 63 -0.594 -1.502 -3.986 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.415 -1.386 -5.492 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.712 -1.916 -3.322 1.00 0.00 C ATOM 0 H LEU A 63 -2.608 1.333 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.803 0.276 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.537 0.633 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.862 -0.166 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.340 -2.272 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.057 -2.336 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.370 -1.136 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.311 -0.603 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.055 -2.858 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.465 -1.146 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.552 -2.041 -2.251 1.00 0.00 H new ATOM 918 N GLN A 64 -4.328 -1.546 -3.953 1.00 0.00 N ATOM 919 CA GLN A 64 -5.171 -2.690 -3.630 1.00 0.00 C ATOM 920 C GLN A 64 -4.563 -3.983 -4.165 1.00 0.00 C ATOM 921 O GLN A 64 -4.289 -4.103 -5.360 1.00 0.00 O ATOM 922 CB GLN A 64 -6.574 -2.496 -4.208 1.00 0.00 C ATOM 923 CG GLN A 64 -7.513 -1.739 -3.282 1.00 0.00 C ATOM 924 CD GLN A 64 -8.974 -2.016 -3.579 1.00 0.00 C ATOM 925 OE1 GLN A 64 -9.474 -1.686 -4.655 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.667 -2.626 -2.625 1.00 0.00 N ATOM 0 H GLN A 64 -4.511 -1.131 -4.866 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.239 -2.764 -2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.498 -1.959 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.005 -3.472 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.298 -2.013 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.324 -0.669 -3.374 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.212 -2.882 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.654 -2.839 -2.769 1.00 0.00 H new ATOM 935 N ILE A 65 -4.354 -4.946 -3.274 1.00 0.00 N ATOM 936 CA ILE A 65 -3.779 -6.229 -3.658 1.00 0.00 C ATOM 937 C ILE A 65 -4.841 -7.323 -3.677 1.00 0.00 C ATOM 938 O ILE A 65 -5.098 -7.973 -2.663 1.00 0.00 O ATOM 939 CB ILE A 65 -2.646 -6.646 -2.702 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.636 -5.507 -2.545 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.959 -7.904 -3.212 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.860 -5.563 -1.248 1.00 0.00 C ATOM 0 H ILE A 65 -4.574 -4.862 -2.282 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.370 -6.105 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.077 -6.862 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.936 -5.536 -3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.163 -4.554 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.161 -8.186 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.685 -8.714 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.538 -7.714 -4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.163 -4.726 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.551 -5.504 -0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.305 -6.500 -1.196 1.00 0.00 H new ATOM 954 N HIS A 66 -5.455 -7.524 -4.839 1.00 0.00 N ATOM 955 CA HIS A 66 -6.488 -8.542 -4.993 1.00 0.00 C ATOM 956 C HIS A 66 -5.908 -9.939 -4.792 1.00 0.00 C ATOM 957 O HIS A 66 -4.768 -10.209 -5.169 1.00 0.00 O ATOM 958 CB HIS A 66 -7.134 -8.439 -6.374 1.00 0.00 C ATOM 959 CG HIS A 66 -8.147 -7.341 -6.481 1.00 0.00 C ATOM 960 ND1 HIS A 66 -9.244 -7.245 -5.651 1.00 0.00 N ATOM 961 CD2 HIS A 66 -8.224 -6.287 -7.327 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.952 -6.180 -5.982 1.00 0.00 C ATOM 963 NE2 HIS A 66 -9.354 -5.581 -6.996 1.00 0.00 N ATOM 0 H HIS A 66 -5.255 -6.995 -5.688 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.249 -8.370 -4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.355 -8.277 -7.119 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.613 -9.388 -6.614 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.526 -6.046 -8.116 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.864 -5.854 -5.505 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -9.679 -4.732 -7.458 1.00 0.00 H new ATOM 971 N GLY A 67 -6.701 -10.824 -4.196 1.00 0.00 N ATOM 972 CA GLY A 67 -6.248 -12.182 -3.955 1.00 0.00 C ATOM 973 C GLY A 67 -4.927 -12.230 -3.213 1.00 0.00 C ATOM 974 O GLY A 67 -3.860 -12.207 -3.828 1.00 0.00 O ATOM 0 H GLY A 67 -7.649 -10.625 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.004 -12.717 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.145 -12.702 -4.908 1.00 0.00 H new ATOM 978 N LEU A 68 -4.996 -12.294 -1.888 1.00 0.00 N ATOM 979 CA LEU A 68 -3.795 -12.344 -1.061 1.00 0.00 C ATOM 980 C LEU A 68 -3.350 -13.785 -0.834 1.00 0.00 C ATOM 981 O LEU A 68 -4.137 -14.719 -0.981 1.00 0.00 O ATOM 982 CB LEU A 68 -4.050 -11.659 0.283 1.00 0.00 C ATOM 983 CG LEU A 68 -4.120 -10.131 0.255 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.970 -9.615 1.405 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.722 -9.532 0.312 1.00 0.00 C ATOM 0 H LEU A 68 -5.870 -12.313 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.999 -11.816 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.988 -12.038 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.260 -11.954 0.974 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.587 -9.825 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.008 -8.526 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.980 -10.017 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.532 -9.932 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.791 -8.444 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.229 -9.847 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.144 -9.875 -0.546 1.00 0.00 H new ATOM 997 N ALA A 69 -2.082 -13.956 -0.473 1.00 0.00 N ATOM 998 CA ALA A 69 -1.533 -15.283 -0.221 1.00 0.00 C ATOM 999 C ALA A 69 -0.109 -15.194 0.318 1.00 0.00 C ATOM 1000 O ALA A 69 0.414 -14.102 0.538 1.00 0.00 O ATOM 1001 CB ALA A 69 -1.567 -16.118 -1.492 1.00 0.00 C ATOM 0 H ALA A 69 -1.417 -13.193 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.151 -15.767 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.154 -17.106 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.597 -16.218 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.974 -15.629 -2.265 1.00 0.00 H new ATOM 1007 N MET A 70 0.512 -16.350 0.529 1.00 0.00 N ATOM 1008 CA MET A 70 1.876 -16.401 1.041 1.00 0.00 C ATOM 1009 C MET A 70 2.867 -15.876 0.007 1.00 0.00 C ATOM 1010 O MET A 70 4.056 -15.732 0.289 1.00 0.00 O ATOM 1011 CB MET A 70 2.243 -17.834 1.434 1.00 0.00 C ATOM 1012 CG MET A 70 1.624 -18.281 2.748 1.00 0.00 C ATOM 1013 SD MET A 70 -0.074 -18.857 2.556 1.00 0.00 S ATOM 1014 CE MET A 70 -0.924 -17.804 3.728 1.00 0.00 C ATOM 0 H MET A 70 0.093 -17.263 0.353 1.00 0.00 H new ATOM 0 HA MET A 70 1.929 -15.764 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.924 -18.512 0.642 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.328 -17.916 1.506 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.228 -19.081 3.176 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.644 -17.452 3.455 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.948 -18.155 3.857 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.406 -17.835 4.687 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.936 -16.780 3.355 1.00 0.00 H new ATOM 1024 N ALA A 71 2.368 -15.592 -1.192 1.00 0.00 N ATOM 1025 CA ALA A 71 3.209 -15.081 -2.268 1.00 0.00 C ATOM 1026 C ALA A 71 3.197 -13.557 -2.297 1.00 0.00 C ATOM 1027 O ALA A 71 3.963 -12.935 -3.033 1.00 0.00 O ATOM 1028 CB ALA A 71 2.751 -15.641 -3.606 1.00 0.00 C ATOM 0 H ALA A 71 1.386 -15.707 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 71 4.233 -15.406 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.387 -15.251 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.819 -16.729 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.718 -15.345 -3.790 1.00 0.00 H new ATOM 1034 N ASP A 72 2.323 -12.961 -1.493 1.00 0.00 N ATOM 1035 CA ASP A 72 2.211 -11.508 -1.427 1.00 0.00 C ATOM 1036 C ASP A 72 2.969 -10.960 -0.222 1.00 0.00 C ATOM 1037 O ASP A 72 3.360 -9.794 -0.201 1.00 0.00 O ATOM 1038 CB ASP A 72 0.742 -11.091 -1.354 1.00 0.00 C ATOM 1039 CG ASP A 72 0.232 -11.012 0.072 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.784 -10.212 0.855 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.717 -11.753 0.404 1.00 0.00 O ATOM 0 H ASP A 72 1.682 -13.462 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 72 2.653 -11.092 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.619 -10.121 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.137 -11.804 -1.914 1.00 0.00 H new ATOM 1046 N ASN A 73 3.172 -11.809 0.780 1.00 0.00 N ATOM 1047 CA ASN A 73 3.882 -11.409 1.989 1.00 0.00 C ATOM 1048 C ASN A 73 5.249 -10.823 1.649 1.00 0.00 C ATOM 1049 O ASN A 73 5.978 -11.362 0.818 1.00 0.00 O ATOM 1050 CB ASN A 73 4.047 -12.605 2.928 1.00 0.00 C ATOM 1051 CG ASN A 73 2.880 -12.754 3.885 1.00 0.00 C ATOM 1052 OD1 ASN A 73 2.355 -11.767 4.400 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.469 -13.994 4.128 1.00 0.00 N ATOM 0 H ASN A 73 2.855 -12.778 0.779 1.00 0.00 H new ATOM 0 HA ASN A 73 3.292 -10.641 2.489 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.148 -13.516 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.969 -12.491 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.688 -14.157 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.934 -14.783 3.679 1.00 0.00 H new ATOM 1060 N GLY A 74 5.590 -9.714 2.299 1.00 0.00 N ATOM 1061 CA GLY A 74 6.869 -9.073 2.053 1.00 0.00 C ATOM 1062 C GLY A 74 6.878 -7.617 2.476 1.00 0.00 C ATOM 1063 O GLY A 74 5.992 -7.168 3.202 1.00 0.00 O ATOM 0 H GLY A 74 5.003 -9.248 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.650 -9.609 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.108 -9.141 0.992 1.00 0.00 H new ATOM 1067 N VAL A 75 7.885 -6.878 2.022 1.00 0.00 N ATOM 1068 CA VAL A 75 8.007 -5.464 2.358 1.00 0.00 C ATOM 1069 C VAL A 75 7.736 -4.585 1.143 1.00 0.00 C ATOM 1070 O VAL A 75 8.353 -4.754 0.091 1.00 0.00 O ATOM 1071 CB VAL A 75 9.407 -5.138 2.912 1.00 0.00 C ATOM 1072 CG1 VAL A 75 10.484 -5.801 2.066 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.618 -3.633 2.974 1.00 0.00 C ATOM 0 H VAL A 75 8.628 -7.234 1.421 1.00 0.00 H new ATOM 0 HA VAL A 75 7.262 -5.256 3.126 1.00 0.00 H new ATOM 0 HB VAL A 75 9.479 -5.534 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.466 -5.559 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.342 -6.882 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.416 -5.437 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.612 -3.421 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.526 -3.211 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.867 -3.187 3.626 1.00 0.00 H new ATOM 1083 N TYR A 76 6.810 -3.645 1.295 1.00 0.00 N ATOM 1084 CA TYR A 76 6.455 -2.739 0.209 1.00 0.00 C ATOM 1085 C TYR A 76 7.143 -1.388 0.379 1.00 0.00 C ATOM 1086 O TYR A 76 7.569 -1.030 1.477 1.00 0.00 O ATOM 1087 CB TYR A 76 4.938 -2.548 0.151 1.00 0.00 C ATOM 1088 CG TYR A 76 4.174 -3.833 -0.074 1.00 0.00 C ATOM 1089 CD1 TYR A 76 4.190 -4.848 0.874 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.438 -4.032 -1.235 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.493 -6.024 0.673 1.00 0.00 C ATOM 1092 CE2 TYR A 76 2.737 -5.204 -1.444 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.769 -6.197 -0.488 1.00 0.00 C ATOM 1094 OH TYR A 76 2.073 -7.367 -0.693 1.00 0.00 O ATOM 0 H TYR A 76 6.292 -3.490 2.160 1.00 0.00 H new ATOM 0 HA TYR A 76 6.795 -3.184 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.602 -2.094 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.699 -1.848 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.757 -4.716 1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.413 -3.257 -1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.515 -6.803 1.421 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.167 -5.342 -2.351 1.00 0.00 H new ATOM 0 HH TYR A 76 2.643 -8.131 -0.467 1.00 0.00 H new ATOM 1104 N SER A 77 7.247 -0.642 -0.716 1.00 0.00 N ATOM 1105 CA SER A 77 7.886 0.669 -0.690 1.00 0.00 C ATOM 1106 C SER A 77 7.179 1.637 -1.634 1.00 0.00 C ATOM 1107 O SER A 77 6.633 1.232 -2.661 1.00 0.00 O ATOM 1108 CB SER A 77 9.361 0.548 -1.077 1.00 0.00 C ATOM 1109 OG SER A 77 10.078 -0.214 -0.121 1.00 0.00 O ATOM 0 H SER A 77 6.897 -0.923 -1.632 1.00 0.00 H new ATOM 0 HA SER A 77 7.814 1.061 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.446 0.080 -2.058 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.801 1.542 -1.159 1.00 0.00 H new ATOM 0 HG SER A 77 11.018 -0.278 -0.392 1.00 0.00 H new ATOM 1115 N CYS A 78 7.192 2.916 -1.278 1.00 0.00 N ATOM 1116 CA CYS A 78 6.552 3.943 -2.092 1.00 0.00 C ATOM 1117 C CYS A 78 7.525 5.075 -2.405 1.00 0.00 C ATOM 1118 O CYS A 78 7.787 5.934 -1.563 1.00 0.00 O ATOM 1119 CB CYS A 78 5.320 4.498 -1.374 1.00 0.00 C ATOM 1120 SG CYS A 78 4.186 5.406 -2.450 1.00 0.00 S ATOM 0 H CYS A 78 7.639 3.267 -0.431 1.00 0.00 H new ATOM 0 HA CYS A 78 6.242 3.485 -3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.781 3.672 -0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.647 5.157 -0.570 1.00 0.00 H new ATOM 0 HG CYS A 78 4.421 6.681 -2.351 1.00 0.00 H new ATOM 1126 N VAL A 79 8.061 5.068 -3.622 1.00 0.00 N ATOM 1127 CA VAL A 79 9.006 6.093 -4.046 1.00 0.00 C ATOM 1128 C VAL A 79 8.286 7.275 -4.686 1.00 0.00 C ATOM 1129 O VAL A 79 7.342 7.096 -5.456 1.00 0.00 O ATOM 1130 CB VAL A 79 10.033 5.530 -5.047 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.049 6.596 -5.427 1.00 0.00 C ATOM 1132 CG2 VAL A 79 10.725 4.305 -4.467 1.00 0.00 C ATOM 0 H VAL A 79 7.856 4.364 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 79 9.528 6.431 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 79 9.505 5.227 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.766 6.180 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.535 7.441 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.575 6.933 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.447 3.920 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.241 4.580 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.983 3.536 -4.251 1.00 0.00 H new ATOM 1142 N CYS A 80 8.737 8.481 -4.361 1.00 0.00 N ATOM 1143 CA CYS A 80 8.135 9.694 -4.904 1.00 0.00 C ATOM 1144 C CYS A 80 9.175 10.539 -5.633 1.00 0.00 C ATOM 1145 O CYS A 80 8.946 10.994 -6.752 1.00 0.00 O ATOM 1146 CB CYS A 80 7.489 10.512 -3.785 1.00 0.00 C ATOM 1147 SG CYS A 80 6.842 12.114 -4.321 1.00 0.00 S ATOM 0 H CYS A 80 9.517 8.645 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 80 7.367 9.400 -5.619 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.676 9.932 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 80 8.224 10.674 -2.997 1.00 0.00 H new ATOM 0 HG CYS A 80 5.563 12.164 -4.091 1.00 0.00 H new ATOM 1153 N GLY A 81 10.319 10.745 -4.988 1.00 0.00 N ATOM 1154 CA GLY A 81 11.377 11.536 -5.589 1.00 0.00 C ATOM 1155 C GLY A 81 12.700 11.381 -4.865 1.00 0.00 C ATOM 1156 O GLY A 81 13.728 11.119 -5.487 1.00 0.00 O ATOM 0 H GLY A 81 10.532 10.378 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.500 11.241 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.086 12.587 -5.588 1.00 0.00 H new ATOM 1160 N GLN A 82 12.673 11.546 -3.546 1.00 0.00 N ATOM 1161 CA GLN A 82 13.881 11.426 -2.737 1.00 0.00 C ATOM 1162 C GLN A 82 13.665 10.457 -1.579 1.00 0.00 C ATOM 1163 O GLN A 82 14.365 9.451 -1.462 1.00 0.00 O ATOM 1164 CB GLN A 82 14.299 12.796 -2.200 1.00 0.00 C ATOM 1165 CG GLN A 82 15.744 12.849 -1.730 1.00 0.00 C ATOM 1166 CD GLN A 82 15.966 12.088 -0.438 1.00 0.00 C ATOM 1167 OE1 GLN A 82 15.497 12.496 0.625 1.00 0.00 O ATOM 1168 NE2 GLN A 82 16.685 10.975 -0.523 1.00 0.00 N ATOM 0 H GLN A 82 11.829 11.763 -3.015 1.00 0.00 H new ATOM 0 HA GLN A 82 14.676 11.035 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.151 13.543 -2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.646 13.067 -1.371 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.390 12.437 -2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.038 13.889 -1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.054 10.674 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.868 10.421 0.314 1.00 0.00 H new ATOM 1177 N GLU A 83 12.694 10.767 -0.727 1.00 0.00 N ATOM 1178 CA GLU A 83 12.388 9.923 0.422 1.00 0.00 C ATOM 1179 C GLU A 83 11.387 8.834 0.047 1.00 0.00 C ATOM 1180 O GLU A 83 10.388 9.099 -0.622 1.00 0.00 O ATOM 1181 CB GLU A 83 11.833 10.768 1.571 1.00 0.00 C ATOM 1182 CG GLU A 83 10.399 11.221 1.355 1.00 0.00 C ATOM 1183 CD GLU A 83 10.085 12.523 2.066 1.00 0.00 C ATOM 1184 OE1 GLU A 83 10.754 13.536 1.773 1.00 0.00 O ATOM 1185 OE2 GLU A 83 9.170 12.529 2.915 1.00 0.00 O ATOM 0 H GLU A 83 12.106 11.596 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 83 13.313 9.446 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.888 10.191 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.466 11.645 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.217 11.342 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.720 10.445 1.709 1.00 0.00 H new ATOM 1192 N ARG A 84 11.662 7.610 0.484 1.00 0.00 N ATOM 1193 CA ARG A 84 10.787 6.480 0.193 1.00 0.00 C ATOM 1194 C ARG A 84 10.486 5.685 1.460 1.00 0.00 C ATOM 1195 O ARG A 84 11.396 5.204 2.136 1.00 0.00 O ATOM 1196 CB ARG A 84 11.428 5.568 -0.855 1.00 0.00 C ATOM 1197 CG ARG A 84 12.619 4.782 -0.331 1.00 0.00 C ATOM 1198 CD ARG A 84 13.399 4.131 -1.463 1.00 0.00 C ATOM 1199 NE ARG A 84 14.428 5.018 -1.999 1.00 0.00 N ATOM 1200 CZ ARG A 84 15.539 5.335 -1.343 1.00 0.00 C ATOM 1201 NH1 ARG A 84 15.763 4.840 -0.133 1.00 0.00 N ATOM 1202 NH2 ARG A 84 16.429 6.148 -1.897 1.00 0.00 N ATOM 0 H ARG A 84 12.484 7.375 1.041 1.00 0.00 H new ATOM 0 HA ARG A 84 9.849 6.871 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.677 4.870 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.747 6.172 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.276 5.446 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.274 4.015 0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.863 3.213 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.712 3.849 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 84 14.286 5.416 -2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.081 4.214 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.617 5.085 0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.261 6.530 -2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.282 6.391 -1.392 1.00 0.00 H new ATOM 1216 N THR A 85 9.202 5.551 1.777 1.00 0.00 N ATOM 1217 CA THR A 85 8.781 4.817 2.963 1.00 0.00 C ATOM 1218 C THR A 85 8.562 3.341 2.647 1.00 0.00 C ATOM 1219 O THR A 85 8.306 2.974 1.501 1.00 0.00 O ATOM 1220 CB THR A 85 7.484 5.401 3.555 1.00 0.00 C ATOM 1221 OG1 THR A 85 7.128 4.694 4.748 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.345 5.316 2.550 1.00 0.00 C ATOM 0 H THR A 85 8.436 5.941 1.228 1.00 0.00 H new ATOM 0 HA THR A 85 9.582 4.915 3.696 1.00 0.00 H new ATOM 0 HB THR A 85 7.660 6.450 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.304 5.072 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.440 5.734 2.990 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.607 5.880 1.655 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.171 4.273 2.284 1.00 0.00 H new ATOM 1230 N SER A 86 8.664 2.500 3.671 1.00 0.00 N ATOM 1231 CA SER A 86 8.480 1.064 3.502 1.00 0.00 C ATOM 1232 C SER A 86 7.581 0.498 4.597 1.00 0.00 C ATOM 1233 O SER A 86 7.579 0.986 5.727 1.00 0.00 O ATOM 1234 CB SER A 86 9.833 0.350 3.518 1.00 0.00 C ATOM 1235 OG SER A 86 10.446 0.446 4.792 1.00 0.00 O ATOM 0 H SER A 86 8.873 2.789 4.627 1.00 0.00 H new ATOM 0 HA SER A 86 7.999 0.896 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.697 -0.699 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.487 0.786 2.763 1.00 0.00 H new ATOM 0 HG SER A 86 11.308 -0.020 4.776 1.00 0.00 H new ATOM 1241 N ALA A 87 6.818 -0.535 4.253 1.00 0.00 N ATOM 1242 CA ALA A 87 5.916 -1.169 5.206 1.00 0.00 C ATOM 1243 C ALA A 87 5.995 -2.689 5.109 1.00 0.00 C ATOM 1244 O ALA A 87 6.703 -3.232 4.260 1.00 0.00 O ATOM 1245 CB ALA A 87 4.488 -0.696 4.975 1.00 0.00 C ATOM 0 H ALA A 87 6.807 -0.950 3.321 1.00 0.00 H new ATOM 0 HA ALA A 87 6.225 -0.879 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.825 -1.177 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.438 0.385 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.177 -0.957 3.963 1.00 0.00 H new ATOM 1251 N THR A 88 5.263 -3.372 5.984 1.00 0.00 N ATOM 1252 CA THR A 88 5.252 -4.829 5.998 1.00 0.00 C ATOM 1253 C THR A 88 3.827 -5.367 6.056 1.00 0.00 C ATOM 1254 O THR A 88 3.002 -4.885 6.834 1.00 0.00 O ATOM 1255 CB THR A 88 6.048 -5.386 7.193 1.00 0.00 C ATOM 1256 OG1 THR A 88 7.303 -4.706 7.305 1.00 0.00 O ATOM 1257 CG2 THR A 88 6.287 -6.880 7.035 1.00 0.00 C ATOM 0 H THR A 88 4.670 -2.939 6.692 1.00 0.00 H new ATOM 0 HA THR A 88 5.724 -5.157 5.072 1.00 0.00 H new ATOM 0 HB THR A 88 5.464 -5.222 8.099 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.802 -5.065 8.068 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.851 -7.251 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.329 -7.398 6.980 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.852 -7.063 6.121 1.00 0.00 H new ATOM 1265 N LEU A 89 3.543 -6.369 5.231 1.00 0.00 N ATOM 1266 CA LEU A 89 2.216 -6.974 5.189 1.00 0.00 C ATOM 1267 C LEU A 89 2.255 -8.407 5.708 1.00 0.00 C ATOM 1268 O LEU A 89 3.167 -9.171 5.388 1.00 0.00 O ATOM 1269 CB LEU A 89 1.668 -6.951 3.761 1.00 0.00 C ATOM 1270 CG LEU A 89 0.266 -7.530 3.571 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.737 -6.799 4.450 1.00 0.00 C ATOM 1272 CD2 LEU A 89 -0.148 -7.455 2.109 1.00 0.00 C ATOM 0 H LEU A 89 4.214 -6.780 4.582 1.00 0.00 H new ATOM 0 HA LEU A 89 1.557 -6.391 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.663 -5.919 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.357 -7.501 3.120 1.00 0.00 H new ATOM 0 HG LEU A 89 0.283 -8.578 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.729 -7.225 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.449 -6.905 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.752 -5.742 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.148 -7.872 1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.148 -6.415 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.555 -8.025 1.502 1.00 0.00 H new ATOM 1284 N THR A 90 1.258 -8.768 6.510 1.00 0.00 N ATOM 1285 CA THR A 90 1.178 -10.110 7.073 1.00 0.00 C ATOM 1286 C THR A 90 -0.039 -10.858 6.539 1.00 0.00 C ATOM 1287 O THR A 90 -1.158 -10.348 6.573 1.00 0.00 O ATOM 1288 CB THR A 90 1.107 -10.072 8.611 1.00 0.00 C ATOM 1289 OG1 THR A 90 2.404 -9.798 9.154 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.589 -11.391 9.163 1.00 0.00 C ATOM 0 H THR A 90 0.495 -8.149 6.784 1.00 0.00 H new ATOM 0 HA THR A 90 2.085 -10.633 6.772 1.00 0.00 H new ATOM 0 HB THR A 90 0.417 -9.280 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.351 -9.774 10.132 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.548 -11.339 10.251 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.410 -11.582 8.771 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.257 -12.198 8.863 1.00 0.00 H new ATOM 1298 N VAL A 91 0.188 -12.071 6.045 1.00 0.00 N ATOM 1299 CA VAL A 91 -0.890 -12.891 5.505 1.00 0.00 C ATOM 1300 C VAL A 91 -0.944 -14.251 6.192 1.00 0.00 C ATOM 1301 O VAL A 91 0.070 -14.939 6.309 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.729 -13.101 3.987 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -2.002 -13.681 3.391 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.358 -11.793 3.305 1.00 0.00 C ATOM 0 H VAL A 91 1.109 -12.508 6.008 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.820 -12.355 5.694 1.00 0.00 H new ATOM 0 HB VAL A 91 0.079 -13.813 3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.870 -13.823 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.219 -14.641 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.831 -12.996 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.248 -11.960 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.142 -11.057 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.583 -11.424 3.713 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.134 -14.631 6.645 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.321 -15.909 7.322 1.00 0.00 C ATOM 1316 C ARG A 92 -3.177 -16.850 6.480 1.00 0.00 C ATOM 1317 O ARG A 92 -4.158 -16.431 5.867 1.00 0.00 O ATOM 1318 CB ARG A 92 -2.972 -15.696 8.690 1.00 0.00 C ATOM 1319 CG ARG A 92 -1.972 -15.464 9.811 1.00 0.00 C ATOM 1320 CD ARG A 92 -2.657 -15.419 11.168 1.00 0.00 C ATOM 1321 NE ARG A 92 -1.750 -14.980 12.225 1.00 0.00 N ATOM 1322 CZ ARG A 92 -2.112 -14.848 13.496 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -3.355 -15.121 13.867 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -1.229 -14.443 14.400 1.00 0.00 N ATOM 0 H ARG A 92 -2.983 -14.073 6.556 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.341 -16.364 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.646 -14.841 8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.581 -16.567 8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.226 -16.259 9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.441 -14.528 9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.512 -14.744 11.120 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.045 -16.408 11.411 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.786 -14.763 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.037 -15.433 13.176 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.630 -15.019 14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.271 -14.233 14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.508 -14.342 15.376 1.00 0.00 H new ATOM 1338 N ALA A 93 -2.799 -18.124 6.456 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.533 -19.124 5.691 1.00 0.00 C ATOM 1340 C ALA A 93 -4.901 -19.393 6.309 1.00 0.00 C ATOM 1341 O ALA A 93 -5.023 -19.565 7.523 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.730 -20.414 5.601 1.00 0.00 C ATOM 0 H ALA A 93 -1.989 -18.488 6.958 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.688 -18.734 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.290 -21.152 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.778 -20.217 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.546 -20.798 6.604 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.929 -19.427 5.468 1.00 0.00 N ATOM 1349 CA LEU A 94 -7.290 -19.674 5.932 1.00 0.00 C ATOM 1350 C LEU A 94 -7.408 -21.059 6.560 1.00 0.00 C ATOM 1351 O LEU A 94 -6.726 -22.006 6.167 1.00 0.00 O ATOM 1352 CB LEU A 94 -8.277 -19.542 4.771 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.632 -18.115 4.351 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -9.427 -18.123 3.054 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -9.413 -17.414 5.453 1.00 0.00 C ATOM 0 H LEU A 94 -5.846 -19.287 4.461 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.530 -18.930 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.862 -20.061 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.197 -20.059 5.042 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.706 -17.565 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.671 -17.099 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.833 -18.586 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.348 -18.689 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.657 -16.400 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.333 -17.963 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.809 -17.376 6.359 1.00 0.00 H new