USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 73 ASN : amide:sc= 1.15 K(o=2,f=-6.5!) USER MOD Set 1.2: A 99 ASN : amide:sc= 0.801 K(o=2,f=0.45) USER MOD Set 2.1: A 35 THR OG1 : rot -56:sc= 0.675 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0.615 USER MOD Single : A 10 THR OG1 : rot 170:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0783 X(o=-0.078,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0041) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 142:sc= 1.15 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= 0.12 (180deg=0.0244) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0683 X(o=-0.068,f=-0.16) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 2.21 K(o=2.2,f=-0.18) USER MOD Single : A 49 LYS NZ :NH3+ 139:sc= 1.04 (180deg=-0.0481) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 151:sc= -1.98 (180deg=-5.54!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 87:sc= -0.138 USER MOD Single : A 80 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.12) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.648 USER MOD Single : A 82 HIS : no HE2:sc= -0.754 K(o=-0.75,f=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 91 SER OG : rot 78:sc= 1.25 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 103:sc= 1.09 USER MOD Single : A 106 TYR OH : rot 30:sc= -0.0257 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.044 -15.135 -4.129 1.00 0.00 N ATOM 86 CA PHE A 9 7.743 -14.511 -3.983 1.00 0.00 C ATOM 87 C PHE A 9 6.795 -15.243 -3.014 1.00 0.00 C ATOM 88 O PHE A 9 7.028 -16.375 -2.583 1.00 0.00 O ATOM 89 CB PHE A 9 7.224 -14.275 -5.397 1.00 0.00 C ATOM 90 CG PHE A 9 5.870 -13.610 -5.494 1.00 0.00 C ATOM 91 CD1 PHE A 9 4.694 -14.355 -5.292 1.00 0.00 C ATOM 92 CD2 PHE A 9 5.792 -12.223 -5.717 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.455 -13.702 -5.314 1.00 0.00 C ATOM 94 CE2 PHE A 9 4.548 -11.572 -5.714 1.00 0.00 C ATOM 95 CZ PHE A 9 3.377 -12.322 -5.510 1.00 0.00 C ATOM 0 HA PHE A 9 7.818 -13.551 -3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.949 -13.662 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.175 -15.235 -5.912 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.746 -15.420 -5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.694 -11.656 -5.892 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.549 -14.273 -5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.491 -10.504 -5.867 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.416 -11.830 -5.505 1.00 0.00 H new ATOM 105 N THR A 10 5.723 -14.562 -2.610 1.00 0.00 N ATOM 106 CA THR A 10 4.752 -15.024 -1.633 1.00 0.00 C ATOM 107 C THR A 10 3.701 -15.956 -2.258 1.00 0.00 C ATOM 108 O THR A 10 3.969 -17.148 -2.404 1.00 0.00 O ATOM 109 CB THR A 10 4.205 -13.788 -0.887 1.00 0.00 C ATOM 110 OG1 THR A 10 5.251 -12.925 -0.513 1.00 0.00 O ATOM 111 CG2 THR A 10 3.436 -14.107 0.394 1.00 0.00 C ATOM 0 H THR A 10 5.503 -13.635 -2.973 1.00 0.00 H new ATOM 0 HA THR A 10 5.216 -15.667 -0.885 1.00 0.00 H new ATOM 0 HB THR A 10 3.520 -13.332 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.877 -12.079 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.089 -13.180 0.851 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.579 -14.737 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.090 -14.632 1.090 1.00 0.00 H new ATOM 119 N ARG A 11 2.522 -15.394 -2.564 1.00 0.00 N ATOM 120 CA ARG A 11 1.301 -15.810 -3.265 1.00 0.00 C ATOM 121 C ARG A 11 0.053 -15.811 -2.395 1.00 0.00 C ATOM 122 O ARG A 11 -1.015 -15.543 -2.940 1.00 0.00 O ATOM 123 CB ARG A 11 1.419 -17.149 -3.972 1.00 0.00 C ATOM 124 CG ARG A 11 2.106 -17.067 -5.341 1.00 0.00 C ATOM 125 CD ARG A 11 1.654 -18.183 -6.290 1.00 0.00 C ATOM 126 NE ARG A 11 0.204 -18.072 -6.515 1.00 0.00 N ATOM 127 CZ ARG A 11 -0.597 -18.851 -7.234 1.00 0.00 C ATOM 128 NH1 ARG A 11 -0.114 -19.794 -8.032 1.00 0.00 N ATOM 129 NH2 ARG A 11 -1.902 -18.647 -7.124 1.00 0.00 N ATOM 0 H ARG A 11 2.384 -14.432 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 11 1.186 -15.034 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.977 -17.837 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.422 -17.571 -4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.892 -16.099 -5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.186 -17.124 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.187 -18.109 -7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.894 -19.157 -5.865 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.251 -17.285 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.894 -19.934 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.750 -20.379 -8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.254 -17.916 -6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.555 -19.221 -7.657 1.00 0.00 H new ATOM 143 N ASP A 12 0.158 -16.093 -1.098 1.00 0.00 N ATOM 144 CA ASP A 12 -1.018 -16.259 -0.227 1.00 0.00 C ATOM 145 C ASP A 12 -0.952 -15.340 0.995 1.00 0.00 C ATOM 146 O ASP A 12 -1.668 -15.512 1.978 1.00 0.00 O ATOM 147 CB ASP A 12 -1.162 -17.733 0.174 1.00 0.00 C ATOM 148 CG ASP A 12 -2.548 -18.013 0.770 1.00 0.00 C ATOM 149 OD1 ASP A 12 -3.560 -17.488 0.262 1.00 0.00 O ATOM 150 OD2 ASP A 12 -2.638 -18.804 1.738 1.00 0.00 O ATOM 0 H ASP A 12 1.050 -16.213 -0.618 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.907 -15.965 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.003 -18.367 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.392 -17.992 0.900 1.00 0.00 H new ATOM 155 N ALA A 13 -0.040 -14.361 0.954 1.00 0.00 N ATOM 156 CA ALA A 13 0.269 -13.353 1.966 1.00 0.00 C ATOM 157 C ALA A 13 0.828 -13.894 3.280 1.00 0.00 C ATOM 158 O ALA A 13 1.489 -13.148 4.004 1.00 0.00 O ATOM 159 CB ALA A 13 -0.945 -12.471 2.235 1.00 0.00 C ATOM 0 H ALA A 13 0.554 -14.247 0.133 1.00 0.00 H new ATOM 0 HA ALA A 13 1.078 -12.766 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.694 -11.727 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.240 -11.967 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.770 -13.087 2.592 1.00 0.00 H new ATOM 165 N SER A 14 0.627 -15.171 3.597 1.00 0.00 N ATOM 166 CA SER A 14 0.973 -15.689 4.908 1.00 0.00 C ATOM 167 C SER A 14 2.482 -15.628 5.179 1.00 0.00 C ATOM 168 O SER A 14 2.888 -15.550 6.336 1.00 0.00 O ATOM 169 CB SER A 14 0.424 -17.108 5.057 1.00 0.00 C ATOM 170 OG SER A 14 -0.927 -17.178 4.624 1.00 0.00 O ATOM 0 H SER A 14 0.227 -15.861 2.961 1.00 0.00 H new ATOM 0 HA SER A 14 0.510 -15.052 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.033 -17.800 4.475 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.493 -17.421 6.099 1.00 0.00 H new ATOM 0 HG SER A 14 -1.256 -18.095 4.727 1.00 0.00 H new ATOM 176 N GLN A 15 3.308 -15.570 4.126 1.00 0.00 N ATOM 177 CA GLN A 15 4.766 -15.493 4.214 1.00 0.00 C ATOM 178 C GLN A 15 5.279 -14.047 4.073 1.00 0.00 C ATOM 179 O GLN A 15 6.447 -13.830 3.730 1.00 0.00 O ATOM 180 CB GLN A 15 5.409 -16.485 3.224 1.00 0.00 C ATOM 181 CG GLN A 15 4.870 -17.916 3.421 1.00 0.00 C ATOM 182 CD GLN A 15 5.700 -19.012 2.751 1.00 0.00 C ATOM 183 OE1 GLN A 15 5.788 -20.131 3.253 1.00 0.00 O ATOM 184 NE2 GLN A 15 6.345 -18.749 1.628 1.00 0.00 N ATOM 0 H GLN A 15 2.968 -15.576 3.164 1.00 0.00 H new ATOM 0 HA GLN A 15 5.077 -15.798 5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.212 -16.159 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.491 -16.482 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.814 -18.124 4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.852 -17.962 3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.277 -17.823 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.911 -19.472 1.184 1.00 0.00 H new ATOM 193 N LEU A 16 4.425 -13.042 4.314 1.00 0.00 N ATOM 194 CA LEU A 16 4.847 -11.662 4.577 1.00 0.00 C ATOM 195 C LEU A 16 5.511 -11.575 5.971 1.00 0.00 C ATOM 196 O LEU A 16 6.033 -12.567 6.484 1.00 0.00 O ATOM 197 CB LEU A 16 3.661 -10.684 4.405 1.00 0.00 C ATOM 198 CG LEU A 16 3.134 -10.483 2.966 1.00 0.00 C ATOM 199 CD1 LEU A 16 2.245 -9.232 2.957 1.00 0.00 C ATOM 200 CD2 LEU A 16 4.223 -10.290 1.907 1.00 0.00 C ATOM 0 H LEU A 16 3.413 -13.167 4.332 1.00 0.00 H new ATOM 0 HA LEU A 16 5.596 -11.360 3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.836 -11.037 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.961 -9.712 4.797 1.00 0.00 H new ATOM 0 HG LEU A 16 2.601 -11.397 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.859 -9.067 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.412 -9.372 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.831 -8.367 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.760 -10.157 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.816 -9.408 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.869 -11.167 1.886 1.00 0.00 H new ATOM 212 N LYS A 17 5.583 -10.373 6.560 1.00 0.00 N ATOM 213 CA LYS A 17 6.225 -10.105 7.847 1.00 0.00 C ATOM 214 C LYS A 17 5.523 -10.825 8.984 1.00 0.00 C ATOM 215 O LYS A 17 5.937 -11.921 9.364 1.00 0.00 O ATOM 216 CB LYS A 17 6.392 -8.589 8.061 1.00 0.00 C ATOM 217 CG LYS A 17 7.850 -8.192 7.870 1.00 0.00 C ATOM 218 CD LYS A 17 8.695 -8.619 9.078 1.00 0.00 C ATOM 219 CE LYS A 17 10.139 -8.214 8.836 1.00 0.00 C ATOM 220 NZ LYS A 17 10.833 -9.119 7.895 1.00 0.00 N ATOM 0 H LYS A 17 5.182 -9.536 6.137 1.00 0.00 H new ATOM 0 HA LYS A 17 7.233 -10.520 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.763 -8.043 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.061 -8.316 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.242 -8.655 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.923 -7.113 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.319 -8.149 9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.625 -9.697 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.167 -7.197 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.674 -8.204 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.828 -8.829 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.788 -10.094 8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.372 -9.072 6.964 1.00 0.00 H new ATOM 234 N GLY A 18 4.465 -10.215 9.505 1.00 0.00 N ATOM 235 CA GLY A 18 3.476 -10.984 10.248 1.00 0.00 C ATOM 236 C GLY A 18 2.388 -10.276 11.022 1.00 0.00 C ATOM 237 O GLY A 18 1.410 -10.924 11.396 1.00 0.00 O ATOM 0 H GLY A 18 4.273 -9.216 9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.986 -11.652 9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.019 -11.612 10.954 1.00 0.00 H new ATOM 241 N THR A 19 2.497 -8.980 11.244 1.00 0.00 N ATOM 242 CA THR A 19 1.446 -8.217 11.891 1.00 0.00 C ATOM 243 C THR A 19 0.504 -7.820 10.754 1.00 0.00 C ATOM 244 O THR A 19 0.975 -7.330 9.723 1.00 0.00 O ATOM 245 CB THR A 19 2.075 -7.018 12.597 1.00 0.00 C ATOM 246 OG1 THR A 19 3.177 -7.344 13.424 1.00 0.00 O ATOM 247 CG2 THR A 19 1.092 -6.165 13.401 1.00 0.00 C ATOM 0 H THR A 19 3.314 -8.428 10.982 1.00 0.00 H new ATOM 0 HA THR A 19 0.898 -8.764 12.658 1.00 0.00 H new ATOM 0 HB THR A 19 2.434 -6.424 11.757 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.527 -6.528 13.840 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.626 -5.337 13.868 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.323 -5.772 12.736 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.626 -6.777 14.173 1.00 0.00 H new ATOM 255 N PHE A 20 -0.787 -8.102 10.886 1.00 0.00 N ATOM 256 CA PHE A 20 -1.793 -8.005 9.834 1.00 0.00 C ATOM 257 C PHE A 20 -2.953 -7.165 10.361 1.00 0.00 C ATOM 258 O PHE A 20 -3.498 -7.443 11.432 1.00 0.00 O ATOM 259 CB PHE A 20 -2.221 -9.414 9.390 1.00 0.00 C ATOM 260 CG PHE A 20 -1.492 -9.933 8.161 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.106 -10.172 8.198 1.00 0.00 C ATOM 262 CD2 PHE A 20 -2.198 -10.185 6.968 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.570 -10.628 7.054 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.524 -10.635 5.821 1.00 0.00 C ATOM 265 CZ PHE A 20 -0.136 -10.838 5.857 1.00 0.00 C ATOM 0 H PHE A 20 -1.180 -8.420 11.772 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.395 -7.512 8.947 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.057 -10.107 10.215 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.292 -9.408 9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.443 -10.004 9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.266 -10.031 6.935 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.633 -10.817 7.094 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.074 -10.825 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.388 -11.155 4.967 1.00 0.00 H new ATOM 275 N LEU A 21 -3.274 -6.084 9.642 1.00 0.00 N ATOM 276 CA LEU A 21 -4.243 -5.072 10.012 1.00 0.00 C ATOM 277 C LEU A 21 -5.243 -4.940 8.872 1.00 0.00 C ATOM 278 O LEU A 21 -4.865 -5.116 7.707 1.00 0.00 O ATOM 279 CB LEU A 21 -3.571 -3.699 10.174 1.00 0.00 C ATOM 280 CG LEU A 21 -2.160 -3.571 10.776 1.00 0.00 C ATOM 281 CD1 LEU A 21 -2.087 -4.193 12.167 1.00 0.00 C ATOM 282 CD2 LEU A 21 -1.010 -4.050 9.875 1.00 0.00 C ATOM 0 H LEU A 21 -2.837 -5.891 8.741 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.712 -5.366 10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.539 -3.241 9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.235 -3.089 10.786 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.998 -2.497 10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.077 -4.084 12.562 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.791 -3.688 12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.341 -5.251 12.106 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.061 -3.916 10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.148 -5.105 9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.004 -3.469 8.953 1.00 0.00 H new ATOM 294 N SER A 22 -6.454 -4.486 9.172 1.00 0.00 N ATOM 295 CA SER A 22 -7.464 -4.214 8.157 1.00 0.00 C ATOM 296 C SER A 22 -8.323 -3.019 8.556 1.00 0.00 C ATOM 297 O SER A 22 -8.521 -2.751 9.747 1.00 0.00 O ATOM 298 CB SER A 22 -8.350 -5.441 7.948 1.00 0.00 C ATOM 299 OG SER A 22 -7.620 -6.610 7.630 1.00 0.00 O ATOM 0 H SER A 22 -6.763 -4.296 10.125 1.00 0.00 H new ATOM 0 HA SER A 22 -6.952 -3.980 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.932 -5.619 8.852 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.061 -5.236 7.147 1.00 0.00 H new ATOM 0 HG SER A 22 -8.239 -7.360 7.510 1.00 0.00 H new ATOM 305 N THR A 23 -8.867 -2.327 7.561 1.00 0.00 N ATOM 306 CA THR A 23 -9.673 -1.121 7.698 1.00 0.00 C ATOM 307 C THR A 23 -10.588 -1.021 6.481 1.00 0.00 C ATOM 308 O THR A 23 -10.264 -1.519 5.400 1.00 0.00 O ATOM 309 CB THR A 23 -8.772 0.129 7.836 1.00 0.00 C ATOM 310 OG1 THR A 23 -9.453 1.323 7.513 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.557 0.101 6.914 1.00 0.00 C ATOM 0 H THR A 23 -8.751 -2.607 6.587 1.00 0.00 H new ATOM 0 HA THR A 23 -10.278 -1.173 8.603 1.00 0.00 H new ATOM 0 HB THR A 23 -8.468 0.107 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.166 2.038 8.119 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.968 1.006 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.945 -0.771 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.888 0.048 5.877 1.00 0.00 H new ATOM 319 N THR A 24 -11.678 -0.278 6.632 1.00 0.00 N ATOM 320 CA THR A 24 -12.561 0.146 5.560 1.00 0.00 C ATOM 321 C THR A 24 -12.718 1.663 5.652 1.00 0.00 C ATOM 322 O THR A 24 -13.214 2.170 6.667 1.00 0.00 O ATOM 323 CB THR A 24 -13.892 -0.612 5.664 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.640 -1.998 5.563 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.877 -0.219 4.561 1.00 0.00 C ATOM 0 H THR A 24 -11.981 0.058 7.546 1.00 0.00 H new ATOM 0 HA THR A 24 -12.151 -0.089 4.578 1.00 0.00 H new ATOM 0 HB THR A 24 -14.340 -0.355 6.624 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.485 -2.490 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.802 -0.784 4.681 1.00 0.00 H new ATOM 0 HG22 THR A 24 -15.092 0.847 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 24 -14.440 -0.440 3.587 1.00 0.00 H new ATOM 333 N LEU A 25 -12.318 2.392 4.603 1.00 0.00 N ATOM 334 CA LEU A 25 -12.579 3.821 4.493 1.00 0.00 C ATOM 335 C LEU A 25 -13.812 3.939 3.608 1.00 0.00 C ATOM 336 O LEU A 25 -14.009 3.127 2.693 1.00 0.00 O ATOM 337 CB LEU A 25 -11.438 4.618 3.812 1.00 0.00 C ATOM 338 CG LEU A 25 -9.998 4.581 4.376 1.00 0.00 C ATOM 339 CD1 LEU A 25 -9.254 5.860 3.975 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.954 4.487 5.907 1.00 0.00 C ATOM 0 H LEU A 25 -11.806 2.003 3.811 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.691 4.234 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.385 4.280 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.746 5.663 3.790 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.531 3.688 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.240 5.831 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.215 5.932 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.778 6.727 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.917 4.465 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.456 5.353 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.459 3.577 6.230 1.00 0.00 H new ATOM 352 N LYS A 26 -14.610 4.985 3.811 1.00 0.00 N ATOM 353 CA LYS A 26 -15.507 5.452 2.756 1.00 0.00 C ATOM 354 C LYS A 26 -14.672 6.356 1.842 1.00 0.00 C ATOM 355 O LYS A 26 -13.603 6.823 2.240 1.00 0.00 O ATOM 356 CB LYS A 26 -16.742 6.116 3.392 1.00 0.00 C ATOM 357 CG LYS A 26 -17.965 6.073 2.460 1.00 0.00 C ATOM 358 CD LYS A 26 -19.272 6.507 3.141 1.00 0.00 C ATOM 359 CE LYS A 26 -19.752 5.441 4.142 1.00 0.00 C ATOM 360 NZ LYS A 26 -21.100 5.728 4.676 1.00 0.00 N ATOM 0 H LYS A 26 -14.655 5.517 4.680 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.914 4.650 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.982 5.612 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.510 7.152 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.780 6.719 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -18.084 5.060 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.120 7.454 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -20.041 6.675 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.759 4.466 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -19.044 5.379 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -21.375 4.980 5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -21.091 6.645 5.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -21.784 5.761 3.893 1.00 0.00 H new ATOM 374 N LYS A 27 -15.080 6.567 0.593 1.00 0.00 N ATOM 375 CA LYS A 27 -14.396 7.453 -0.347 1.00 0.00 C ATOM 376 C LYS A 27 -14.763 8.888 0.037 1.00 0.00 C ATOM 377 O LYS A 27 -15.856 9.349 -0.312 1.00 0.00 O ATOM 378 CB LYS A 27 -14.825 7.076 -1.771 1.00 0.00 C ATOM 379 CG LYS A 27 -14.131 7.909 -2.864 1.00 0.00 C ATOM 380 CD LYS A 27 -12.867 7.232 -3.416 1.00 0.00 C ATOM 381 CE LYS A 27 -12.363 8.016 -4.635 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.417 7.250 -5.473 1.00 0.00 N ATOM 0 H LYS A 27 -15.908 6.120 0.199 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.311 7.359 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.610 6.021 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.904 7.200 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.831 8.083 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.867 8.885 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.095 7.196 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.085 6.202 -3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.216 8.316 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.878 8.931 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.512 7.548 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.445 7.427 -5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.628 6.235 -5.395 1.00 0.00 H new ATOM 396 N SER A 28 -13.909 9.589 0.776 1.00 0.00 N ATOM 397 CA SER A 28 -14.312 10.757 1.559 1.00 0.00 C ATOM 398 C SER A 28 -13.462 11.980 1.230 1.00 0.00 C ATOM 399 O SER A 28 -12.285 11.859 0.907 1.00 0.00 O ATOM 400 CB SER A 28 -14.178 10.404 3.040 1.00 0.00 C ATOM 401 OG SER A 28 -14.989 9.286 3.344 1.00 0.00 O ATOM 0 H SER A 28 -12.917 9.365 0.850 1.00 0.00 H new ATOM 0 HA SER A 28 -15.343 11.012 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.137 10.184 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.472 11.255 3.654 1.00 0.00 H new ATOM 0 HG SER A 28 -14.897 9.064 4.294 1.00 0.00 H new ATOM 407 N ASN A 29 -14.040 13.168 1.395 1.00 0.00 N ATOM 408 CA ASN A 29 -13.488 14.489 1.110 1.00 0.00 C ATOM 409 C ASN A 29 -13.133 14.626 -0.374 1.00 0.00 C ATOM 410 O ASN A 29 -13.911 15.216 -1.131 1.00 0.00 O ATOM 411 CB ASN A 29 -12.328 14.873 2.052 1.00 0.00 C ATOM 412 CG ASN A 29 -12.569 14.605 3.536 1.00 0.00 C ATOM 413 OD1 ASN A 29 -13.704 14.572 4.017 1.00 0.00 O ATOM 414 ND2 ASN A 29 -11.499 14.415 4.279 1.00 0.00 N ATOM 0 H ASN A 29 -14.989 13.236 1.763 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.269 15.220 1.320 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.436 14.328 1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.114 15.934 1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.597 14.235 5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -10.572 14.448 3.855 1.00 0.00 H new ATOM 421 N MET A 30 -11.986 14.089 -0.794 1.00 0.00 N ATOM 422 CA MET A 30 -11.496 14.006 -2.165 1.00 0.00 C ATOM 423 C MET A 30 -10.639 12.737 -2.271 1.00 0.00 C ATOM 424 O MET A 30 -9.411 12.794 -2.373 1.00 0.00 O ATOM 425 CB MET A 30 -10.698 15.267 -2.544 1.00 0.00 C ATOM 426 CG MET A 30 -11.553 16.417 -3.071 1.00 0.00 C ATOM 427 SD MET A 30 -10.524 17.808 -3.611 1.00 0.00 S ATOM 428 CE MET A 30 -11.755 18.832 -4.446 1.00 0.00 C ATOM 0 H MET A 30 -11.330 13.671 -0.134 1.00 0.00 H new ATOM 0 HA MET A 30 -12.328 13.951 -2.867 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.147 15.611 -1.669 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.960 15.002 -3.301 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.163 16.068 -3.904 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.239 16.750 -2.292 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.277 19.731 -4.836 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.198 18.271 -5.269 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.534 19.114 -3.738 1.00 0.00 H new ATOM 438 N GLY A 31 -11.295 11.577 -2.241 1.00 0.00 N ATOM 439 CA GLY A 31 -10.638 10.287 -2.412 1.00 0.00 C ATOM 440 C GLY A 31 -9.840 9.899 -1.174 1.00 0.00 C ATOM 441 O GLY A 31 -9.806 10.628 -0.186 1.00 0.00 O ATOM 0 H GLY A 31 -12.302 11.509 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.386 9.521 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.975 10.327 -3.276 1.00 0.00 H new ATOM 445 N PHE A 32 -9.256 8.702 -1.175 1.00 0.00 N ATOM 446 CA PHE A 32 -8.653 8.176 0.039 1.00 0.00 C ATOM 447 C PHE A 32 -7.414 8.994 0.383 1.00 0.00 C ATOM 448 O PHE A 32 -6.502 9.088 -0.436 1.00 0.00 O ATOM 449 CB PHE A 32 -8.337 6.682 -0.080 1.00 0.00 C ATOM 450 CG PHE A 32 -9.422 5.849 -0.736 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.516 5.401 0.025 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.335 5.515 -2.103 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.478 4.557 -0.549 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.318 4.698 -2.688 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.360 4.186 -1.897 1.00 0.00 C ATOM 0 H PHE A 32 -9.190 8.091 -1.989 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.371 8.267 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.415 6.565 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.148 6.285 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.616 5.708 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.515 5.886 -2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.305 4.195 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.272 4.465 -3.742 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.075 3.502 -2.330 1.00 0.00 H new ATOM 465 N GLY A 33 -7.370 9.558 1.592 1.00 0.00 N ATOM 466 CA GLY A 33 -6.254 10.347 2.101 1.00 0.00 C ATOM 467 C GLY A 33 -5.048 9.489 2.482 1.00 0.00 C ATOM 468 O GLY A 33 -4.518 9.621 3.581 1.00 0.00 O ATOM 0 H GLY A 33 -8.135 9.474 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.954 11.073 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.582 10.912 2.973 1.00 0.00 H new ATOM 472 N PHE A 34 -4.596 8.626 1.581 1.00 0.00 N ATOM 473 CA PHE A 34 -3.276 8.017 1.556 1.00 0.00 C ATOM 474 C PHE A 34 -2.902 7.862 0.081 1.00 0.00 C ATOM 475 O PHE A 34 -3.777 7.953 -0.784 1.00 0.00 O ATOM 476 CB PHE A 34 -3.286 6.681 2.320 1.00 0.00 C ATOM 477 CG PHE A 34 -4.116 5.560 1.721 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.498 5.499 1.976 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.498 4.534 0.978 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.276 4.435 1.490 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.280 3.480 0.469 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.666 3.433 0.707 1.00 0.00 C ATOM 0 H PHE A 34 -5.177 8.315 0.803 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.529 8.631 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.257 6.332 2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.648 6.870 3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.968 6.281 2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.433 4.556 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.331 4.385 1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.811 2.699 -0.111 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.260 2.633 0.292 1.00 0.00 H new ATOM 492 N THR A 35 -1.636 7.594 -0.236 1.00 0.00 N ATOM 493 CA THR A 35 -1.274 7.148 -1.580 1.00 0.00 C ATOM 494 C THR A 35 -0.370 5.926 -1.478 1.00 0.00 C ATOM 495 O THR A 35 0.142 5.618 -0.401 1.00 0.00 O ATOM 496 CB THR A 35 -0.700 8.281 -2.451 1.00 0.00 C ATOM 497 OG1 THR A 35 0.532 8.793 -1.982 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.657 9.462 -2.615 1.00 0.00 C ATOM 0 H THR A 35 -0.852 7.677 0.411 1.00 0.00 H new ATOM 0 HA THR A 35 -2.178 6.848 -2.110 1.00 0.00 H new ATOM 0 HB THR A 35 -0.545 7.795 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.430 9.093 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.191 10.224 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.579 9.121 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.885 9.884 -1.636 1.00 0.00 H new ATOM 506 N ILE A 36 -0.168 5.223 -2.589 1.00 0.00 N ATOM 507 CA ILE A 36 0.517 3.949 -2.674 1.00 0.00 C ATOM 508 C ILE A 36 1.704 4.128 -3.633 1.00 0.00 C ATOM 509 O ILE A 36 1.762 5.105 -4.388 1.00 0.00 O ATOM 510 CB ILE A 36 -0.514 2.873 -3.112 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.827 2.925 -2.289 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.079 1.464 -2.981 1.00 0.00 C ATOM 513 CD1 ILE A 36 -2.924 3.816 -2.892 1.00 0.00 C ATOM 0 H ILE A 36 -0.497 5.549 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 36 0.926 3.609 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.750 3.096 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.216 1.912 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.597 3.283 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.661 0.727 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.963 1.381 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.357 1.281 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.805 3.793 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.559 4.840 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.187 3.448 -3.884 1.00 0.00 H new ATOM 525 N ILE A 37 2.675 3.224 -3.568 1.00 0.00 N ATOM 526 CA ILE A 37 3.812 3.100 -4.468 1.00 0.00 C ATOM 527 C ILE A 37 3.916 1.620 -4.844 1.00 0.00 C ATOM 528 O ILE A 37 3.516 0.751 -4.061 1.00 0.00 O ATOM 529 CB ILE A 37 5.085 3.677 -3.799 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.311 3.637 -4.729 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.393 3.053 -2.423 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.474 4.507 -4.223 1.00 0.00 C ATOM 0 H ILE A 37 2.688 2.513 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 37 3.689 3.679 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 37 4.857 4.726 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.652 2.606 -4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.018 3.974 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.297 3.504 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.558 3.234 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.542 1.979 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.309 4.439 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.147 5.544 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.791 4.156 -3.241 1.00 0.00 H new ATOM 544 N GLY A 38 4.424 1.358 -6.046 1.00 0.00 N ATOM 545 CA GLY A 38 4.643 0.038 -6.623 1.00 0.00 C ATOM 546 C GLY A 38 5.968 0.047 -7.374 1.00 0.00 C ATOM 547 O GLY A 38 6.400 1.116 -7.822 1.00 0.00 O ATOM 0 H GLY A 38 4.710 2.106 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.658 -0.719 -5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.827 -0.219 -7.299 1.00 0.00 H new ATOM 551 N GLY A 39 6.625 -1.111 -7.472 1.00 0.00 N ATOM 552 CA GLY A 39 8.052 -1.175 -7.727 1.00 0.00 C ATOM 553 C GLY A 39 8.415 -0.722 -9.129 1.00 0.00 C ATOM 554 O GLY A 39 9.229 0.191 -9.277 1.00 0.00 O ATOM 0 H GLY A 39 6.178 -2.023 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.575 -0.553 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.398 -2.198 -7.578 1.00 0.00 H new ATOM 558 N ASP A 40 7.817 -1.349 -10.137 1.00 0.00 N ATOM 559 CA ASP A 40 7.796 -0.924 -11.536 1.00 0.00 C ATOM 560 C ASP A 40 6.985 -1.953 -12.327 1.00 0.00 C ATOM 561 O ASP A 40 6.148 -1.588 -13.154 1.00 0.00 O ATOM 562 CB ASP A 40 9.197 -0.741 -12.168 1.00 0.00 C ATOM 563 CG ASP A 40 9.421 0.707 -12.624 1.00 0.00 C ATOM 564 OD1 ASP A 40 8.545 1.239 -13.343 1.00 0.00 O ATOM 565 OD2 ASP A 40 10.466 1.309 -12.263 1.00 0.00 O ATOM 0 H ASP A 40 7.304 -2.218 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 40 7.340 0.065 -11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.963 -1.019 -11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.304 -1.413 -13.020 1.00 0.00 H new ATOM 570 N GLU A 41 7.183 -3.237 -12.016 1.00 0.00 N ATOM 571 CA GLU A 41 6.619 -4.377 -12.739 1.00 0.00 C ATOM 572 C GLU A 41 5.419 -4.988 -11.992 1.00 0.00 C ATOM 573 O GLU A 41 5.226 -4.698 -10.805 1.00 0.00 O ATOM 574 CB GLU A 41 7.743 -5.413 -12.970 1.00 0.00 C ATOM 575 CG GLU A 41 8.685 -5.047 -14.131 1.00 0.00 C ATOM 576 CD GLU A 41 8.081 -5.188 -15.541 1.00 0.00 C ATOM 577 OE1 GLU A 41 6.944 -4.735 -15.773 1.00 0.00 O ATOM 578 OE2 GLU A 41 8.789 -5.683 -16.457 1.00 0.00 O ATOM 0 H GLU A 41 7.762 -3.520 -11.225 1.00 0.00 H new ATOM 0 HA GLU A 41 6.232 -4.043 -13.702 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.328 -5.513 -12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.294 -6.386 -13.169 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.016 -4.017 -13.997 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.572 -5.677 -14.069 1.00 0.00 H new ATOM 585 N PRO A 42 4.605 -5.835 -12.659 1.00 0.00 N ATOM 586 CA PRO A 42 3.355 -6.393 -12.133 1.00 0.00 C ATOM 587 C PRO A 42 3.497 -7.494 -11.073 1.00 0.00 C ATOM 588 O PRO A 42 2.545 -8.249 -10.855 1.00 0.00 O ATOM 589 CB PRO A 42 2.568 -6.855 -13.375 1.00 0.00 C ATOM 590 CG PRO A 42 3.665 -7.214 -14.366 1.00 0.00 C ATOM 591 CD PRO A 42 4.700 -6.137 -14.086 1.00 0.00 C ATOM 0 HA PRO A 42 2.832 -5.626 -11.562 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.930 -7.710 -13.153 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.921 -6.066 -13.758 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.060 -8.215 -14.194 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.311 -7.183 -15.397 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.701 -6.484 -14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.507 -5.247 -14.685 1.00 0.00 H new ATOM 599 N ASP A 43 4.647 -7.614 -10.418 1.00 0.00 N ATOM 600 CA ASP A 43 4.875 -8.555 -9.323 1.00 0.00 C ATOM 601 C ASP A 43 5.841 -8.022 -8.258 1.00 0.00 C ATOM 602 O ASP A 43 6.158 -8.753 -7.316 1.00 0.00 O ATOM 603 CB ASP A 43 5.312 -9.933 -9.842 1.00 0.00 C ATOM 604 CG ASP A 43 6.822 -10.113 -9.987 1.00 0.00 C ATOM 605 OD1 ASP A 43 7.482 -9.228 -10.575 1.00 0.00 O ATOM 606 OD2 ASP A 43 7.329 -11.180 -9.572 1.00 0.00 O ATOM 0 H ASP A 43 5.466 -7.047 -10.637 1.00 0.00 H new ATOM 0 HA ASP A 43 3.913 -8.675 -8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.932 -10.698 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.845 -10.105 -10.812 1.00 0.00 H new ATOM 611 N GLU A 44 6.284 -6.760 -8.346 1.00 0.00 N ATOM 612 CA GLU A 44 6.889 -6.118 -7.186 1.00 0.00 C ATOM 613 C GLU A 44 5.786 -5.810 -6.175 1.00 0.00 C ATOM 614 O GLU A 44 4.621 -5.636 -6.543 1.00 0.00 O ATOM 615 CB GLU A 44 7.657 -4.835 -7.542 1.00 0.00 C ATOM 616 CG GLU A 44 8.956 -5.109 -8.311 1.00 0.00 C ATOM 617 CD GLU A 44 10.044 -4.072 -8.007 1.00 0.00 C ATOM 618 OE1 GLU A 44 10.547 -4.032 -6.856 1.00 0.00 O ATOM 619 OE2 GLU A 44 10.347 -3.252 -8.904 1.00 0.00 O ATOM 0 H GLU A 44 6.235 -6.183 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 44 7.623 -6.804 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.016 -4.189 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.891 -4.292 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.324 -6.103 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.748 -5.111 -9.381 1.00 0.00 H new ATOM 626 N PHE A 45 6.148 -5.703 -4.897 1.00 0.00 N ATOM 627 CA PHE A 45 5.180 -5.425 -3.843 1.00 0.00 C ATOM 628 C PHE A 45 4.698 -3.972 -3.926 1.00 0.00 C ATOM 629 O PHE A 45 5.265 -3.136 -4.643 1.00 0.00 O ATOM 630 CB PHE A 45 5.755 -5.772 -2.454 1.00 0.00 C ATOM 631 CG PHE A 45 6.010 -7.246 -2.150 1.00 0.00 C ATOM 632 CD1 PHE A 45 5.990 -8.245 -3.150 1.00 0.00 C ATOM 633 CD2 PHE A 45 6.226 -7.633 -0.810 1.00 0.00 C ATOM 634 CE1 PHE A 45 6.229 -9.586 -2.822 1.00 0.00 C ATOM 635 CE2 PHE A 45 6.429 -8.986 -0.480 1.00 0.00 C ATOM 636 CZ PHE A 45 6.445 -9.964 -1.489 1.00 0.00 C ATOM 0 H PHE A 45 7.108 -5.805 -4.568 1.00 0.00 H new ATOM 0 HA PHE A 45 4.311 -6.066 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.696 -5.235 -2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.070 -5.386 -1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.789 -7.972 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.236 -6.885 -0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.247 -10.334 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.573 -9.273 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.622 -11.000 -1.240 1.00 0.00 H new ATOM 646 N LEU A 46 3.642 -3.662 -3.175 1.00 0.00 N ATOM 647 CA LEU A 46 3.008 -2.354 -3.099 1.00 0.00 C ATOM 648 C LEU A 46 3.059 -1.913 -1.649 1.00 0.00 C ATOM 649 O LEU A 46 2.699 -2.694 -0.765 1.00 0.00 O ATOM 650 CB LEU A 46 1.539 -2.452 -3.522 1.00 0.00 C ATOM 651 CG LEU A 46 1.312 -2.708 -5.020 1.00 0.00 C ATOM 652 CD1 LEU A 46 -0.034 -3.404 -5.165 1.00 0.00 C ATOM 653 CD2 LEU A 46 1.251 -1.408 -5.827 1.00 0.00 C ATOM 0 H LEU A 46 3.187 -4.351 -2.576 1.00 0.00 H new ATOM 0 HA LEU A 46 3.520 -1.651 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.066 -3.254 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.034 -1.526 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 46 2.142 -3.305 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.229 -3.602 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.018 -4.345 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.820 -2.764 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.089 -1.640 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.430 -0.791 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.190 -0.866 -5.715 1.00 0.00 H new ATOM 665 N GLN A 47 3.450 -0.666 -1.392 1.00 0.00 N ATOM 666 CA GLN A 47 3.529 -0.126 -0.038 1.00 0.00 C ATOM 667 C GLN A 47 2.768 1.193 0.011 1.00 0.00 C ATOM 668 O GLN A 47 2.679 1.896 -0.996 1.00 0.00 O ATOM 669 CB GLN A 47 4.992 0.050 0.412 1.00 0.00 C ATOM 670 CG GLN A 47 5.835 -1.222 0.187 1.00 0.00 C ATOM 671 CD GLN A 47 7.226 -1.182 0.821 1.00 0.00 C ATOM 672 OE1 GLN A 47 8.247 -1.238 0.146 1.00 0.00 O ATOM 673 NE2 GLN A 47 7.312 -1.082 2.133 1.00 0.00 N ATOM 0 H GLN A 47 3.721 -0.002 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 47 3.072 -0.830 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.440 0.880 -0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.014 0.315 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.292 -2.078 0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.943 -1.386 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.464 -1.035 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.227 -1.051 2.583 1.00 0.00 H new ATOM 682 N VAL A 48 2.221 1.575 1.165 1.00 0.00 N ATOM 683 CA VAL A 48 1.695 2.918 1.357 1.00 0.00 C ATOM 684 C VAL A 48 2.862 3.907 1.170 1.00 0.00 C ATOM 685 O VAL A 48 3.904 3.803 1.829 1.00 0.00 O ATOM 686 CB VAL A 48 1.042 2.979 2.745 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.629 4.400 3.125 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.211 2.090 2.784 1.00 0.00 C ATOM 0 H VAL A 48 2.133 0.968 1.980 1.00 0.00 H new ATOM 0 HA VAL A 48 0.925 3.186 0.634 1.00 0.00 H new ATOM 0 HB VAL A 48 1.788 2.627 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.172 4.394 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.508 5.044 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.088 4.778 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.664 2.143 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.927 2.437 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.068 1.059 2.567 1.00 0.00 H new ATOM 698 N LYS A 49 2.718 4.835 0.221 1.00 0.00 N ATOM 699 CA LYS A 49 3.662 5.909 -0.079 1.00 0.00 C ATOM 700 C LYS A 49 3.552 7.022 0.958 1.00 0.00 C ATOM 701 O LYS A 49 4.580 7.566 1.358 1.00 0.00 O ATOM 702 CB LYS A 49 3.371 6.465 -1.481 1.00 0.00 C ATOM 703 CG LYS A 49 4.497 7.360 -2.022 1.00 0.00 C ATOM 704 CD LYS A 49 4.056 8.206 -3.225 1.00 0.00 C ATOM 705 CE LYS A 49 3.956 7.442 -4.551 1.00 0.00 C ATOM 706 NZ LYS A 49 2.655 7.618 -5.228 1.00 0.00 N ATOM 0 H LYS A 49 1.900 4.857 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 49 4.676 5.511 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.213 5.634 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.443 7.036 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.845 8.020 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.343 6.737 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.085 8.648 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.760 9.029 -3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.752 7.776 -5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.121 6.381 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.808 7.732 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.060 6.782 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.180 8.463 -4.852 1.00 0.00 H new ATOM 720 N SER A 50 2.329 7.379 1.351 1.00 0.00 N ATOM 721 CA SER A 50 2.053 8.414 2.342 1.00 0.00 C ATOM 722 C SER A 50 0.680 8.198 2.969 1.00 0.00 C ATOM 723 O SER A 50 -0.179 7.569 2.346 1.00 0.00 O ATOM 724 CB SER A 50 2.097 9.801 1.685 1.00 0.00 C ATOM 725 OG SER A 50 1.421 9.858 0.433 1.00 0.00 O ATOM 0 H SER A 50 1.484 6.945 0.979 1.00 0.00 H new ATOM 0 HA SER A 50 2.815 8.355 3.119 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.652 10.530 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.137 10.093 1.541 1.00 0.00 H new ATOM 0 HG SER A 50 1.484 10.765 0.068 1.00 0.00 H new ATOM 731 N VAL A 51 0.441 8.818 4.125 1.00 0.00 N ATOM 732 CA VAL A 51 -0.850 8.933 4.800 1.00 0.00 C ATOM 733 C VAL A 51 -1.057 10.428 5.052 1.00 0.00 C ATOM 734 O VAL A 51 -0.204 11.069 5.668 1.00 0.00 O ATOM 735 CB VAL A 51 -0.863 8.117 6.111 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.264 8.135 6.740 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.462 6.651 5.895 1.00 0.00 C ATOM 0 H VAL A 51 1.187 9.280 4.645 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.661 8.527 4.195 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.133 8.588 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.256 7.555 7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.551 9.163 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.981 7.699 6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.488 6.123 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.159 6.182 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.546 6.606 5.482 1.00 0.00 H new ATOM 747 N ILE A 52 -2.129 11.008 4.513 1.00 0.00 N ATOM 748 CA ILE A 52 -2.351 12.448 4.572 1.00 0.00 C ATOM 749 C ILE A 52 -2.810 12.816 5.993 1.00 0.00 C ATOM 750 O ILE A 52 -3.732 12.168 6.502 1.00 0.00 O ATOM 751 CB ILE A 52 -3.389 12.871 3.513 1.00 0.00 C ATOM 752 CG1 ILE A 52 -3.094 12.401 2.087 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.562 14.369 3.388 1.00 0.00 C ATOM 754 CD1 ILE A 52 -1.662 12.529 1.557 1.00 0.00 C ATOM 0 H ILE A 52 -2.863 10.494 4.026 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.427 12.982 4.350 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.283 12.385 3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.381 11.352 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.748 12.955 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.308 14.587 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.891 14.778 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.612 14.823 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.618 12.154 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.361 13.576 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.988 11.948 2.186 1.00 0.00 H new ATOM 766 N PRO A 53 -2.211 13.840 6.629 1.00 0.00 N ATOM 767 CA PRO A 53 -2.670 14.342 7.913 1.00 0.00 C ATOM 768 C PRO A 53 -4.050 14.971 7.754 1.00 0.00 C ATOM 769 O PRO A 53 -4.371 15.507 6.691 1.00 0.00 O ATOM 770 CB PRO A 53 -1.651 15.403 8.322 1.00 0.00 C ATOM 771 CG PRO A 53 -1.113 15.930 6.997 1.00 0.00 C ATOM 772 CD PRO A 53 -1.189 14.716 6.080 1.00 0.00 C ATOM 0 HA PRO A 53 -2.751 13.552 8.660 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.115 16.196 8.908 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.856 14.977 8.934 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.714 16.757 6.620 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.091 16.297 7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.441 15.015 5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.227 14.206 6.033 1.00 0.00 H new ATOM 780 N ASP A 54 -4.848 14.958 8.825 1.00 0.00 N ATOM 781 CA ASP A 54 -6.217 15.490 8.814 1.00 0.00 C ATOM 782 C ASP A 54 -7.066 14.870 7.688 1.00 0.00 C ATOM 783 O ASP A 54 -8.043 15.452 7.213 1.00 0.00 O ATOM 784 CB ASP A 54 -6.161 17.028 8.795 1.00 0.00 C ATOM 785 CG ASP A 54 -7.527 17.695 8.929 1.00 0.00 C ATOM 786 OD1 ASP A 54 -8.104 17.679 10.040 1.00 0.00 O ATOM 787 OD2 ASP A 54 -7.979 18.350 7.960 1.00 0.00 O ATOM 0 H ASP A 54 -4.564 14.578 9.728 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.735 15.199 9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.519 17.369 9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.697 17.354 7.864 1.00 0.00 H new ATOM 792 N GLY A 55 -6.676 13.681 7.225 1.00 0.00 N ATOM 793 CA GLY A 55 -7.360 12.908 6.211 1.00 0.00 C ATOM 794 C GLY A 55 -8.047 11.705 6.856 1.00 0.00 C ATOM 795 O GLY A 55 -7.681 11.286 7.959 1.00 0.00 O ATOM 0 H GLY A 55 -5.835 13.218 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.096 13.529 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.650 12.572 5.456 1.00 0.00 H new ATOM 799 N PRO A 56 -8.993 11.064 6.151 1.00 0.00 N ATOM 800 CA PRO A 56 -9.781 9.970 6.702 1.00 0.00 C ATOM 801 C PRO A 56 -8.907 8.774 7.083 1.00 0.00 C ATOM 802 O PRO A 56 -9.235 8.077 8.041 1.00 0.00 O ATOM 803 CB PRO A 56 -10.813 9.604 5.624 1.00 0.00 C ATOM 804 CG PRO A 56 -10.213 10.170 4.335 1.00 0.00 C ATOM 805 CD PRO A 56 -9.420 11.383 4.804 1.00 0.00 C ATOM 0 HA PRO A 56 -10.272 10.270 7.628 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.957 8.526 5.558 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.787 10.043 5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.572 9.441 3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.989 10.450 3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.565 11.569 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.034 12.284 4.789 1.00 0.00 H new ATOM 813 N ALA A 57 -7.813 8.531 6.354 1.00 0.00 N ATOM 814 CA ALA A 57 -6.917 7.419 6.628 1.00 0.00 C ATOM 815 C ALA A 57 -6.166 7.627 7.949 1.00 0.00 C ATOM 816 O ALA A 57 -6.014 6.668 8.703 1.00 0.00 O ATOM 817 CB ALA A 57 -5.945 7.256 5.455 1.00 0.00 C ATOM 0 H ALA A 57 -7.530 9.104 5.559 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.502 6.505 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.270 6.423 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.506 7.057 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.366 8.171 5.333 1.00 0.00 H new ATOM 823 N ALA A 58 -5.714 8.857 8.223 1.00 0.00 N ATOM 824 CA ALA A 58 -5.025 9.198 9.461 1.00 0.00 C ATOM 825 C ALA A 58 -5.977 9.095 10.652 1.00 0.00 C ATOM 826 O ALA A 58 -5.595 8.520 11.673 1.00 0.00 O ATOM 827 CB ALA A 58 -4.424 10.603 9.372 1.00 0.00 C ATOM 0 H ALA A 58 -5.820 9.645 7.584 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.213 8.486 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.914 10.840 10.305 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.711 10.642 8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.219 11.328 9.199 1.00 0.00 H new ATOM 833 N GLN A 59 -7.209 9.605 10.526 1.00 0.00 N ATOM 834 CA GLN A 59 -8.187 9.478 11.602 1.00 0.00 C ATOM 835 C GLN A 59 -8.476 8.000 11.883 1.00 0.00 C ATOM 836 O GLN A 59 -8.464 7.583 13.042 1.00 0.00 O ATOM 837 CB GLN A 59 -9.491 10.223 11.285 1.00 0.00 C ATOM 838 CG GLN A 59 -9.376 11.754 11.307 1.00 0.00 C ATOM 839 CD GLN A 59 -10.560 12.400 12.036 1.00 0.00 C ATOM 840 OE1 GLN A 59 -10.387 13.021 13.081 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.784 12.273 11.548 1.00 0.00 N ATOM 0 H GLN A 59 -7.544 10.102 9.701 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.756 9.937 12.492 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.841 9.912 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.252 9.919 12.004 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.446 12.042 11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.328 12.130 10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.936 11.759 10.680 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.575 12.689 12.040 1.00 0.00 H new ATOM 850 N ASP A 60 -8.708 7.207 10.830 1.00 0.00 N ATOM 851 CA ASP A 60 -9.017 5.782 10.957 1.00 0.00 C ATOM 852 C ASP A 60 -7.857 5.019 11.598 1.00 0.00 C ATOM 853 O ASP A 60 -8.059 4.051 12.333 1.00 0.00 O ATOM 854 CB ASP A 60 -9.348 5.193 9.584 1.00 0.00 C ATOM 855 CG ASP A 60 -10.078 3.863 9.737 1.00 0.00 C ATOM 856 OD1 ASP A 60 -11.318 3.920 9.925 1.00 0.00 O ATOM 857 OD2 ASP A 60 -9.438 2.799 9.583 1.00 0.00 O ATOM 0 H ASP A 60 -8.686 7.538 9.865 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.885 5.679 11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.967 5.892 9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.431 5.048 9.013 1.00 0.00 H new ATOM 862 N GLY A 61 -6.632 5.491 11.354 1.00 0.00 N ATOM 863 CA GLY A 61 -5.448 5.212 12.147 1.00 0.00 C ATOM 864 C GLY A 61 -4.738 3.930 11.745 1.00 0.00 C ATOM 865 O GLY A 61 -3.557 3.756 12.052 1.00 0.00 O ATOM 0 H GLY A 61 -6.437 6.104 10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.753 6.047 12.055 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.731 5.147 13.198 1.00 0.00 H new ATOM 869 N LYS A 62 -5.420 3.030 11.032 1.00 0.00 N ATOM 870 CA LYS A 62 -4.801 1.810 10.519 1.00 0.00 C ATOM 871 C LYS A 62 -3.676 2.144 9.555 1.00 0.00 C ATOM 872 O LYS A 62 -2.622 1.510 9.610 1.00 0.00 O ATOM 873 CB LYS A 62 -5.831 0.910 9.828 1.00 0.00 C ATOM 874 CG LYS A 62 -6.433 -0.129 10.776 1.00 0.00 C ATOM 875 CD LYS A 62 -7.561 0.429 11.647 1.00 0.00 C ATOM 876 CE LYS A 62 -8.161 -0.723 12.455 1.00 0.00 C ATOM 877 NZ LYS A 62 -9.507 -0.398 12.960 1.00 0.00 N ATOM 0 H LYS A 62 -6.408 3.127 10.797 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.389 1.268 11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.630 1.527 9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.358 0.400 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.815 -0.966 10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.646 -0.522 11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.178 1.201 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.325 0.895 11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.213 -1.615 11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.506 -0.958 13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.878 -1.204 13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.454 0.438 13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.140 -0.199 12.159 1.00 0.00 H new ATOM 891 N MET A 63 -3.931 3.074 8.638 1.00 0.00 N ATOM 892 CA MET A 63 -3.028 3.373 7.543 1.00 0.00 C ATOM 893 C MET A 63 -1.742 3.951 8.113 1.00 0.00 C ATOM 894 O MET A 63 -1.794 4.963 8.813 1.00 0.00 O ATOM 895 CB MET A 63 -3.699 4.366 6.588 1.00 0.00 C ATOM 896 CG MET A 63 -3.253 4.127 5.142 1.00 0.00 C ATOM 897 SD MET A 63 -4.102 2.770 4.292 1.00 0.00 S ATOM 898 CE MET A 63 -5.812 3.327 4.509 1.00 0.00 C ATOM 0 H MET A 63 -4.778 3.642 8.639 1.00 0.00 H new ATOM 0 HA MET A 63 -2.791 2.467 6.985 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.782 4.268 6.659 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.451 5.385 6.885 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.407 5.044 4.574 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.182 3.925 5.137 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.420 2.966 3.680 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.206 2.935 5.446 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.840 4.416 4.532 1.00 0.00 H new ATOM 908 N GLU A 64 -0.603 3.337 7.801 1.00 0.00 N ATOM 909 CA GLU A 64 0.720 3.859 8.110 1.00 0.00 C ATOM 910 C GLU A 64 1.603 3.677 6.889 1.00 0.00 C ATOM 911 O GLU A 64 1.261 2.945 5.958 1.00 0.00 O ATOM 912 CB GLU A 64 1.324 3.168 9.334 1.00 0.00 C ATOM 913 CG GLU A 64 0.684 3.730 10.605 1.00 0.00 C ATOM 914 CD GLU A 64 0.983 2.901 11.844 1.00 0.00 C ATOM 915 OE1 GLU A 64 2.108 2.373 11.979 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.053 2.742 12.674 1.00 0.00 O ATOM 0 H GLU A 64 -0.577 2.441 7.314 1.00 0.00 H new ATOM 0 HA GLU A 64 0.643 4.918 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.159 2.092 9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.403 3.324 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.039 4.748 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.396 3.787 10.466 1.00 0.00 H new ATOM 923 N THR A 65 2.720 4.391 6.881 1.00 0.00 N ATOM 924 CA THR A 65 3.556 4.547 5.710 1.00 0.00 C ATOM 925 C THR A 65 4.567 3.400 5.667 1.00 0.00 C ATOM 926 O THR A 65 5.058 2.944 6.699 1.00 0.00 O ATOM 927 CB THR A 65 4.193 5.946 5.736 1.00 0.00 C ATOM 928 OG1 THR A 65 3.232 6.916 6.120 1.00 0.00 O ATOM 929 CG2 THR A 65 4.663 6.354 4.341 1.00 0.00 C ATOM 0 H THR A 65 3.072 4.883 7.702 1.00 0.00 H new ATOM 0 HA THR A 65 2.980 4.486 4.787 1.00 0.00 H new ATOM 0 HB THR A 65 5.027 5.902 6.437 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.650 7.802 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.110 7.347 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.403 5.638 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.812 6.368 3.660 1.00 0.00 H new ATOM 937 N GLY A 66 4.867 2.897 4.470 1.00 0.00 N ATOM 938 CA GLY A 66 5.715 1.725 4.314 1.00 0.00 C ATOM 939 C GLY A 66 4.949 0.414 4.525 1.00 0.00 C ATOM 940 O GLY A 66 5.485 -0.628 4.161 1.00 0.00 O ATOM 0 H GLY A 66 4.530 3.289 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.155 1.729 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.539 1.779 5.026 1.00 0.00 H new ATOM 944 N ASP A 67 3.722 0.418 5.066 1.00 0.00 N ATOM 945 CA ASP A 67 2.994 -0.841 5.275 1.00 0.00 C ATOM 946 C ASP A 67 2.614 -1.408 3.896 1.00 0.00 C ATOM 947 O ASP A 67 2.387 -0.644 2.952 1.00 0.00 O ATOM 948 CB ASP A 67 1.738 -0.645 6.136 1.00 0.00 C ATOM 949 CG ASP A 67 1.885 -0.860 7.647 1.00 0.00 C ATOM 950 OD1 ASP A 67 2.947 -0.551 8.236 1.00 0.00 O ATOM 951 OD2 ASP A 67 0.892 -1.274 8.282 1.00 0.00 O ATOM 0 H ASP A 67 3.223 1.257 5.360 1.00 0.00 H new ATOM 0 HA ASP A 67 3.637 -1.537 5.814 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.371 0.368 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.968 -1.325 5.771 1.00 0.00 H new ATOM 956 N VAL A 68 2.541 -2.734 3.765 1.00 0.00 N ATOM 957 CA VAL A 68 2.412 -3.451 2.490 1.00 0.00 C ATOM 958 C VAL A 68 0.942 -3.744 2.225 1.00 0.00 C ATOM 959 O VAL A 68 0.293 -4.341 3.081 1.00 0.00 O ATOM 960 CB VAL A 68 3.260 -4.746 2.523 1.00 0.00 C ATOM 961 CG1 VAL A 68 2.871 -5.793 1.463 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.730 -4.388 2.294 1.00 0.00 C ATOM 0 H VAL A 68 2.571 -3.361 4.569 1.00 0.00 H new ATOM 0 HA VAL A 68 2.789 -2.834 1.674 1.00 0.00 H new ATOM 0 HB VAL A 68 3.077 -5.190 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.516 -6.666 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.833 -6.091 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.988 -5.364 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.333 -5.296 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.840 -3.903 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.066 -3.710 3.079 1.00 0.00 H new ATOM 972 N ILE A 69 0.422 -3.340 1.063 1.00 0.00 N ATOM 973 CA ILE A 69 -0.920 -3.645 0.588 1.00 0.00 C ATOM 974 C ILE A 69 -0.943 -5.121 0.200 1.00 0.00 C ATOM 975 O ILE A 69 -0.324 -5.517 -0.785 1.00 0.00 O ATOM 976 CB ILE A 69 -1.338 -2.731 -0.583 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.388 -1.244 -0.177 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.763 -3.100 -1.044 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.049 -0.521 -0.064 1.00 0.00 C ATOM 0 H ILE A 69 0.951 -2.768 0.404 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.649 -3.455 1.376 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.595 -2.875 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.002 -0.713 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.897 -1.170 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.057 -2.454 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.782 -4.139 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.459 -2.968 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.219 0.516 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.568 -1.013 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.462 -0.548 -1.027 1.00 0.00 H new ATOM 991 N VAL A 70 -1.664 -5.927 0.974 1.00 0.00 N ATOM 992 CA VAL A 70 -1.871 -7.332 0.667 1.00 0.00 C ATOM 993 C VAL A 70 -3.023 -7.477 -0.332 1.00 0.00 C ATOM 994 O VAL A 70 -2.871 -8.050 -1.417 1.00 0.00 O ATOM 995 CB VAL A 70 -2.174 -8.118 1.956 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.994 -9.595 1.660 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.324 -7.744 3.173 1.00 0.00 C ATOM 0 H VAL A 70 -2.121 -5.620 1.833 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.964 -7.739 0.221 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.196 -7.861 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.203 -10.174 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.681 -9.894 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.969 -9.780 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.619 -8.357 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.271 -7.917 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.475 -6.692 3.413 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.199 -6.986 0.064 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.450 -7.151 -0.650 1.00 0.00 C ATOM 1009 C TYR A 71 -6.142 -5.795 -0.699 1.00 0.00 C ATOM 1010 O TYR A 71 -5.945 -4.950 0.184 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.383 -8.165 0.045 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.864 -9.575 0.284 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -6.084 -10.582 -0.669 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -5.276 -9.921 1.514 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.677 -11.904 -0.428 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.895 -11.246 1.786 1.00 0.00 C ATOM 1017 CZ TYR A 71 -5.077 -12.243 0.804 1.00 0.00 C ATOM 1018 OH TYR A 71 -4.728 -13.528 1.078 1.00 0.00 O ATOM 0 H TYR A 71 -4.301 -6.444 0.922 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.235 -7.532 -1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.668 -7.747 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.293 -8.242 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.573 -10.337 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.115 -9.157 2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.823 -12.661 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.464 -11.500 2.743 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.327 -13.575 1.971 1.00 0.00 H new ATOM 1028 N ILE A 72 -6.997 -5.622 -1.702 1.00 0.00 N ATOM 1029 CA ILE A 72 -7.920 -4.511 -1.811 1.00 0.00 C ATOM 1030 C ILE A 72 -9.285 -5.135 -2.022 1.00 0.00 C ATOM 1031 O ILE A 72 -9.558 -5.740 -3.064 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.528 -3.538 -2.938 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.119 -2.980 -2.652 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.573 -2.409 -3.075 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -5.654 -1.918 -3.646 1.00 0.00 C ATOM 0 H ILE A 72 -7.064 -6.275 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.910 -3.894 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.508 -4.068 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.106 -2.554 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.406 -3.804 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.276 -1.733 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.547 -2.841 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.635 -1.855 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.655 -1.578 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.632 -2.343 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.343 -1.074 -3.625 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.140 -4.946 -1.027 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.549 -5.287 -0.943 1.00 0.00 C ATOM 1049 C ASN A 73 -11.775 -6.791 -0.861 1.00 0.00 C ATOM 1050 O ASN A 73 -12.282 -7.285 0.146 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.363 -4.595 -2.058 1.00 0.00 C ATOM 1052 CG ASN A 73 -13.736 -4.146 -1.569 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -13.968 -3.971 -0.376 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -14.649 -3.863 -2.475 1.00 0.00 N ATOM 0 H ASN A 73 -9.826 -4.501 -0.165 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.931 -4.892 -0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.810 -3.732 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.483 -5.280 -2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.556 -3.496 -2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.449 -4.011 -3.464 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.357 -7.515 -1.895 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.366 -8.973 -1.975 1.00 0.00 C ATOM 1063 C GLU A 74 -10.346 -9.495 -3.016 1.00 0.00 C ATOM 1064 O GLU A 74 -10.308 -10.694 -3.310 1.00 0.00 O ATOM 1065 CB GLU A 74 -12.793 -9.393 -2.348 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.127 -10.865 -2.014 1.00 0.00 C ATOM 1067 CD GLU A 74 -14.063 -11.474 -3.058 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -13.843 -11.246 -4.271 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -15.098 -12.076 -2.700 1.00 0.00 O ATOM 0 H GLU A 74 -10.985 -7.081 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.071 -9.404 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.498 -8.745 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.940 -9.232 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.206 -11.447 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.592 -10.920 -1.030 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.523 -8.627 -3.614 1.00 0.00 N ATOM 1077 CA VAL A 75 -8.562 -8.981 -4.658 1.00 0.00 C ATOM 1078 C VAL A 75 -7.177 -8.991 -4.018 1.00 0.00 C ATOM 1079 O VAL A 75 -6.829 -8.042 -3.312 1.00 0.00 O ATOM 1080 CB VAL A 75 -8.654 -7.969 -5.823 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -7.726 -8.363 -6.976 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.084 -7.884 -6.381 1.00 0.00 C ATOM 0 H VAL A 75 -9.508 -7.635 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.773 -9.965 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.356 -7.003 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.814 -7.632 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.696 -8.390 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.007 -9.348 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.113 -7.164 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.390 -8.863 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.764 -7.565 -5.591 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.401 -10.048 -4.244 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.014 -10.144 -3.828 1.00 0.00 C ATOM 1094 C CYS A 76 -4.190 -9.337 -4.820 1.00 0.00 C ATOM 1095 O CYS A 76 -4.155 -9.670 -6.003 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.580 -11.611 -3.797 1.00 0.00 C ATOM 1097 SG CYS A 76 -3.042 -11.762 -2.841 1.00 0.00 S ATOM 0 H CYS A 76 -6.732 -10.879 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.871 -9.748 -2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.362 -12.224 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.429 -11.979 -4.812 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.326 -11.896 -1.580 1.00 0.00 H new ATOM 1103 N VAL A 77 -3.542 -8.276 -4.347 1.00 0.00 N ATOM 1104 CA VAL A 77 -2.785 -7.362 -5.199 1.00 0.00 C ATOM 1105 C VAL A 77 -1.299 -7.352 -4.833 1.00 0.00 C ATOM 1106 O VAL A 77 -0.538 -6.580 -5.400 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.425 -5.958 -5.174 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -4.905 -6.000 -5.587 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.317 -5.261 -3.809 1.00 0.00 C ATOM 0 H VAL A 77 -3.527 -8.025 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.832 -7.719 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.852 -5.378 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.320 -4.993 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.989 -6.397 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.457 -6.640 -4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.787 -4.279 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.820 -5.863 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.267 -5.146 -3.541 1.00 0.00 H new ATOM 1119 N LEU A 78 -0.872 -8.214 -3.907 1.00 0.00 N ATOM 1120 CA LEU A 78 0.463 -8.255 -3.310 1.00 0.00 C ATOM 1121 C LEU A 78 1.584 -8.298 -4.348 1.00 0.00 C ATOM 1122 O LEU A 78 2.664 -7.776 -4.085 1.00 0.00 O ATOM 1123 CB LEU A 78 0.492 -9.427 -2.306 1.00 0.00 C ATOM 1124 CG LEU A 78 1.202 -10.743 -2.695 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.723 -10.699 -2.512 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.702 -11.896 -1.810 1.00 0.00 C ATOM 0 H LEU A 78 -1.482 -8.941 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 78 0.659 -7.326 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.958 -9.062 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.541 -9.673 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 78 0.971 -10.888 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.153 -11.657 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.142 -9.908 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.958 -10.500 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.209 -12.818 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.915 -11.671 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.373 -12.017 -1.944 1.00 0.00 H new ATOM 1138 N GLY A 79 1.323 -8.917 -5.498 1.00 0.00 N ATOM 1139 CA GLY A 79 2.143 -8.888 -6.694 1.00 0.00 C ATOM 1140 C GLY A 79 1.195 -8.639 -7.849 1.00 0.00 C ATOM 1141 O GLY A 79 1.001 -9.517 -8.691 1.00 0.00 O ATOM 0 H GLY A 79 0.483 -9.483 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.895 -8.102 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.676 -9.830 -6.824 1.00 0.00 H new ATOM 1145 N HIS A 80 0.518 -7.497 -7.809 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.034 -6.828 -8.979 1.00 0.00 C ATOM 1147 C HIS A 80 0.716 -5.522 -9.231 1.00 0.00 C ATOM 1148 O HIS A 80 1.394 -5.001 -8.348 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.539 -6.573 -8.789 1.00 0.00 C ATOM 1150 CG HIS A 80 -2.470 -7.613 -9.367 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -3.840 -7.520 -9.382 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -2.133 -8.715 -10.101 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.320 -8.536 -10.111 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -3.313 -9.284 -10.590 1.00 0.00 N ATOM 0 H HIS A 80 0.334 -6.999 -6.938 1.00 0.00 H new ATOM 0 HA HIS A 80 0.090 -7.471 -9.851 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.740 -6.489 -7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.782 -5.609 -9.236 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.132 -9.082 -10.273 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.368 -8.727 -10.288 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.393 -10.104 -11.191 1.00 0.00 H new ATOM 1162 N THR A 81 0.569 -4.984 -10.443 1.00 0.00 N ATOM 1163 CA THR A 81 1.120 -3.690 -10.802 1.00 0.00 C ATOM 1164 C THR A 81 0.290 -2.603 -10.124 1.00 0.00 C ATOM 1165 O THR A 81 -0.930 -2.728 -9.940 1.00 0.00 O ATOM 1166 CB THR A 81 1.238 -3.513 -12.336 1.00 0.00 C ATOM 1167 OG1 THR A 81 1.436 -2.168 -12.706 1.00 0.00 O ATOM 1168 CG2 THR A 81 0.029 -4.058 -13.095 1.00 0.00 C ATOM 0 H THR A 81 0.062 -5.441 -11.201 1.00 0.00 H new ATOM 0 HA THR A 81 2.145 -3.611 -10.440 1.00 0.00 H new ATOM 0 HB THR A 81 2.115 -4.097 -12.615 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.506 -2.104 -13.681 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.171 -3.904 -14.165 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.078 -5.124 -12.892 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.871 -3.535 -12.770 1.00 0.00 H new ATOM 1176 N HIS A 82 0.953 -1.482 -9.855 1.00 0.00 N ATOM 1177 CA HIS A 82 0.300 -0.235 -9.515 1.00 0.00 C ATOM 1178 C HIS A 82 -0.705 0.174 -10.597 1.00 0.00 C ATOM 1179 O HIS A 82 -1.731 0.743 -10.248 1.00 0.00 O ATOM 1180 CB HIS A 82 1.378 0.827 -9.247 1.00 0.00 C ATOM 1181 CG HIS A 82 0.975 1.913 -8.282 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.435 3.206 -8.308 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.159 1.791 -7.185 1.00 0.00 C ATOM 1184 CE1 HIS A 82 0.888 3.850 -7.271 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.089 3.038 -6.558 1.00 0.00 N ATOM 0 H HIS A 82 1.971 -1.420 -9.869 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.289 -0.350 -8.605 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.268 0.330 -8.861 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.656 1.288 -10.195 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.077 3.604 -8.994 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.341 0.890 -6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.066 4.889 -7.037 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.504 -0.177 -11.873 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.462 0.116 -12.939 1.00 0.00 C ATOM 1195 C ALA A 83 -2.851 -0.456 -12.644 1.00 0.00 C ATOM 1196 O ALA A 83 -3.860 0.184 -12.962 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.954 -0.464 -14.261 1.00 0.00 C ATOM 0 H ALA A 83 0.328 -0.672 -12.193 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.552 1.200 -13.005 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.669 -0.244 -15.053 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.009 -0.018 -14.508 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.840 -1.544 -14.165 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.898 -1.651 -12.052 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.133 -2.358 -11.754 1.00 0.00 C ATOM 1205 C ASP A 84 -4.768 -1.702 -10.522 1.00 0.00 C ATOM 1206 O ASP A 84 -5.853 -1.147 -10.573 1.00 0.00 O ATOM 1207 CB ASP A 84 -3.855 -3.865 -11.567 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.137 -4.697 -11.639 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -6.103 -4.380 -10.909 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.206 -5.679 -12.412 1.00 0.00 O ATOM 0 H ASP A 84 -2.062 -2.158 -11.764 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.840 -2.287 -12.581 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.159 -4.203 -12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.371 -4.028 -10.604 1.00 0.00 H new ATOM 1215 N VAL A 85 -4.046 -1.645 -9.414 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.395 -1.040 -8.133 1.00 0.00 C ATOM 1217 C VAL A 85 -4.852 0.416 -8.266 1.00 0.00 C ATOM 1218 O VAL A 85 -5.855 0.804 -7.665 1.00 0.00 O ATOM 1219 CB VAL A 85 -3.178 -1.261 -7.206 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -3.124 -0.381 -5.954 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.186 -2.741 -6.805 1.00 0.00 C ATOM 0 H VAL A 85 -3.114 -2.059 -9.383 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.273 -1.514 -7.693 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.290 -0.971 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.230 -0.621 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.096 0.668 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.008 -0.563 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.341 -2.944 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.115 -2.972 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.108 -3.360 -7.698 1.00 0.00 H new ATOM 1231 N VAL A 86 -4.205 1.227 -9.091 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.644 2.589 -9.346 1.00 0.00 C ATOM 1233 C VAL A 86 -5.953 2.587 -10.153 1.00 0.00 C ATOM 1234 O VAL A 86 -6.763 3.505 -9.982 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.491 3.360 -10.018 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -3.948 4.736 -10.505 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.307 3.538 -9.038 1.00 0.00 C ATOM 0 H VAL A 86 -3.363 0.959 -9.601 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.879 3.107 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.169 2.772 -10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.110 5.253 -10.974 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.753 4.616 -11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.307 5.321 -9.658 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.504 4.085 -9.533 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.640 4.096 -8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.942 2.559 -8.727 1.00 0.00 H new ATOM 1247 N LYS A 87 -6.237 1.573 -10.986 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.538 1.479 -11.640 1.00 0.00 C ATOM 1249 C LYS A 87 -8.579 1.122 -10.580 1.00 0.00 C ATOM 1250 O LYS A 87 -9.695 1.634 -10.593 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.432 0.493 -12.828 1.00 0.00 C ATOM 1252 CG LYS A 87 -8.042 -0.907 -12.642 1.00 0.00 C ATOM 1253 CD LYS A 87 -7.408 -1.985 -13.541 1.00 0.00 C ATOM 1254 CE LYS A 87 -8.221 -2.408 -14.766 1.00 0.00 C ATOM 1255 NZ LYS A 87 -9.198 -3.472 -14.461 1.00 0.00 N ATOM 0 H LYS A 87 -5.589 0.820 -11.216 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.864 2.422 -12.078 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.907 0.955 -13.693 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.377 0.371 -13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.932 -1.206 -11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.111 -0.858 -12.848 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.439 -1.620 -13.882 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.219 -2.870 -12.933 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.747 -1.541 -15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.543 -2.756 -15.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.721 -3.721 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.697 -4.311 -14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.865 -3.134 -13.738 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.197 0.299 -9.606 1.00 0.00 N ATOM 1270 CA LEU A 88 -9.083 -0.218 -8.581 1.00 0.00 C ATOM 1271 C LEU A 88 -9.439 0.878 -7.589 1.00 0.00 C ATOM 1272 O LEU A 88 -10.569 0.927 -7.117 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.413 -1.401 -7.869 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.270 -2.681 -8.715 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.459 -3.695 -7.908 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.605 -3.299 -9.135 1.00 0.00 C ATOM 0 H LEU A 88 -7.237 -0.032 -9.511 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.006 -0.566 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.422 -1.091 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.988 -1.639 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.767 -2.407 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.344 -4.612 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.476 -3.280 -7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.978 -3.917 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.421 -4.196 -9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.180 -3.562 -8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.167 -2.580 -9.731 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.521 1.785 -7.254 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.847 2.901 -6.366 1.00 0.00 C ATOM 1290 C PHE A 89 -9.718 3.950 -7.070 1.00 0.00 C ATOM 1291 O PHE A 89 -10.532 4.606 -6.412 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.571 3.513 -5.780 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.939 2.702 -4.658 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.656 2.460 -3.468 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.618 2.228 -4.770 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -7.045 1.812 -2.385 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -5.021 1.547 -3.693 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.721 1.360 -2.491 1.00 0.00 C ATOM 0 H PHE A 89 -7.555 1.770 -7.580 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.439 2.513 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.841 3.633 -6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.801 4.510 -5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.686 2.777 -3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.063 2.387 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.595 1.661 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.016 1.165 -3.792 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.244 0.872 -1.654 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.585 4.101 -8.391 1.00 0.00 N ATOM 1309 CA GLN A 90 -10.440 4.975 -9.190 1.00 0.00 C ATOM 1310 C GLN A 90 -11.813 4.347 -9.470 1.00 0.00 C ATOM 1311 O GLN A 90 -12.781 5.079 -9.716 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.712 5.345 -10.487 1.00 0.00 C ATOM 1313 CG GLN A 90 -8.618 6.380 -10.188 1.00 0.00 C ATOM 1314 CD GLN A 90 -7.855 6.771 -11.445 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -7.933 7.906 -11.915 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -7.060 5.865 -11.979 1.00 0.00 N ATOM 0 H GLN A 90 -8.874 3.615 -8.938 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.637 5.883 -8.619 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.271 4.454 -10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.420 5.749 -11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.068 7.268 -9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.924 5.974 -9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.009 4.930 -11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.496 6.099 -12.796 1.00 0.00 H new ATOM 1325 N SER A 91 -11.937 3.026 -9.336 1.00 0.00 N ATOM 1326 CA SER A 91 -13.186 2.288 -9.473 1.00 0.00 C ATOM 1327 C SER A 91 -14.162 2.521 -8.311 1.00 0.00 C ATOM 1328 O SER A 91 -15.312 2.097 -8.407 1.00 0.00 O ATOM 1329 CB SER A 91 -12.857 0.801 -9.613 1.00 0.00 C ATOM 1330 OG SER A 91 -12.161 0.547 -10.823 1.00 0.00 O ATOM 0 H SER A 91 -11.142 2.423 -9.122 1.00 0.00 H new ATOM 0 HA SER A 91 -13.697 2.656 -10.363 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.252 0.477 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.777 0.217 -9.589 1.00 0.00 H new ATOM 0 HG SER A 91 -11.224 0.817 -10.724 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.740 3.219 -7.250 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.555 3.499 -6.073 1.00 0.00 C ATOM 1338 C VAL A 92 -15.098 4.932 -6.193 1.00 0.00 C ATOM 1339 O VAL A 92 -14.319 5.877 -6.017 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.736 3.292 -4.778 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.675 3.195 -3.568 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.865 2.031 -4.835 1.00 0.00 C ATOM 0 H VAL A 92 -12.800 3.611 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.395 2.806 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.077 4.155 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -14.087 3.049 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.253 4.115 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.353 2.352 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.310 1.930 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.500 1.156 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.166 2.109 -5.667 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.371 5.149 -6.559 1.00 0.00 N ATOM 1353 CA PRO A 93 -16.988 6.462 -6.480 1.00 0.00 C ATOM 1354 C PRO A 93 -17.205 6.886 -5.024 1.00 0.00 C ATOM 1355 O PRO A 93 -17.028 6.117 -4.072 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.295 6.370 -7.272 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.619 4.883 -7.352 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.293 4.174 -7.103 1.00 0.00 C ATOM 0 HA PRO A 93 -16.347 7.234 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.094 6.920 -6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.182 6.801 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.363 4.601 -6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.029 4.621 -8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.427 3.344 -6.409 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.903 3.754 -8.030 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.578 8.148 -4.864 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.896 8.772 -3.594 1.00 0.00 C ATOM 1368 C ILE A 94 -19.174 8.120 -3.060 1.00 0.00 C ATOM 1369 O ILE A 94 -20.080 7.778 -3.821 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.988 10.292 -3.825 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -16.585 10.835 -4.196 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -18.537 11.023 -2.591 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -16.645 12.094 -5.058 1.00 0.00 C ATOM 0 H ILE A 94 -17.670 8.790 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 94 -17.133 8.624 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 94 -18.684 10.476 -4.643 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.032 11.052 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -16.031 10.062 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -18.587 12.093 -2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -19.535 10.651 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.879 10.845 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.633 12.428 -5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -17.172 11.875 -5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -17.173 12.880 -4.518 1.00 0.00 H new ATOM 1385 N GLY A 95 -19.241 7.915 -1.746 1.00 0.00 N ATOM 1386 CA GLY A 95 -20.347 7.226 -1.098 1.00 0.00 C ATOM 1387 C GLY A 95 -20.201 5.707 -1.122 1.00 0.00 C ATOM 1388 O GLY A 95 -21.035 5.014 -0.531 1.00 0.00 O ATOM 0 H GLY A 95 -18.519 8.228 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.421 7.562 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -21.279 7.504 -1.590 1.00 0.00 H new ATOM 1392 N GLN A 96 -19.151 5.173 -1.752 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.768 3.774 -1.620 1.00 0.00 C ATOM 1394 C GLN A 96 -17.589 3.671 -0.656 1.00 0.00 C ATOM 1395 O GLN A 96 -16.991 4.675 -0.263 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.397 3.163 -2.979 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.313 3.536 -4.144 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.790 3.240 -3.936 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.175 2.249 -3.306 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.650 4.068 -4.496 1.00 0.00 N ATOM 0 H GLN A 96 -18.542 5.707 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.618 3.214 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.380 3.467 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.390 2.078 -2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.199 4.601 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -18.975 3.004 -5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.313 4.881 -5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.652 3.896 -4.413 1.00 0.00 H new ATOM 1409 N SER A 97 -17.234 2.446 -0.298 1.00 0.00 N ATOM 1410 CA SER A 97 -16.199 2.077 0.639 1.00 0.00 C ATOM 1411 C SER A 97 -15.530 0.801 0.133 1.00 0.00 C ATOM 1412 O SER A 97 -16.156 0.020 -0.593 1.00 0.00 O ATOM 1413 CB SER A 97 -16.868 1.831 1.996 1.00 0.00 C ATOM 1414 OG SER A 97 -18.122 1.178 1.856 1.00 0.00 O ATOM 0 H SER A 97 -17.701 1.627 -0.688 1.00 0.00 H new ATOM 0 HA SER A 97 -15.445 2.858 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.211 1.226 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 97 -17.009 2.782 2.509 1.00 0.00 H new ATOM 0 HG SER A 97 -18.518 1.036 2.741 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.283 0.577 0.536 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.534 -0.634 0.227 1.00 0.00 C ATOM 1422 C VAL A 98 -12.758 -1.067 1.461 1.00 0.00 C ATOM 1423 O VAL A 98 -12.292 -0.217 2.228 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.595 -0.399 -0.973 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.421 -0.182 -2.239 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -11.617 0.772 -0.771 1.00 0.00 C ATOM 0 H VAL A 98 -13.756 1.246 1.097 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.224 -1.430 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.981 -1.295 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.754 -0.016 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.035 -1.063 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.065 0.688 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.988 0.878 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.179 1.692 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.990 0.576 0.099 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.572 -2.376 1.613 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.729 -2.929 2.663 1.00 0.00 C ATOM 1438 C ASN A 99 -10.307 -2.855 2.126 1.00 0.00 C ATOM 1439 O ASN A 99 -10.085 -2.912 0.913 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.038 -4.406 2.986 1.00 0.00 C ATOM 1441 CG ASN A 99 -13.490 -4.717 3.327 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -13.857 -4.853 4.490 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -14.338 -4.866 2.323 1.00 0.00 N ATOM 0 H ASN A 99 -13.001 -3.079 1.012 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.894 -2.367 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.746 -5.015 2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.413 -4.714 3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.314 -5.097 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.016 -4.749 1.362 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.333 -2.774 3.018 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.916 -2.828 2.701 1.00 0.00 C ATOM 1452 C LEU A 100 -7.283 -3.701 3.766 1.00 0.00 C ATOM 1453 O LEU A 100 -7.719 -3.683 4.921 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.280 -1.426 2.730 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.895 -0.415 1.746 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.402 0.983 2.101 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.543 -0.675 0.277 1.00 0.00 C ATOM 0 H LEU A 100 -9.514 -2.665 4.016 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.762 -3.225 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.365 -1.025 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.216 -1.521 2.513 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.976 -0.518 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.832 1.707 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.706 1.228 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.315 1.015 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.015 0.081 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.462 -0.629 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.901 -1.663 -0.014 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.244 -4.426 3.374 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.521 -5.348 4.224 1.00 0.00 C ATOM 1471 C VAL A 101 -4.072 -4.938 4.083 1.00 0.00 C ATOM 1472 O VAL A 101 -3.538 -5.007 2.971 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.745 -6.800 3.757 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -5.209 -7.790 4.782 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -7.239 -7.108 3.562 1.00 0.00 C ATOM 0 H VAL A 101 -5.873 -4.384 2.425 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.852 -5.312 5.262 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.216 -6.902 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.379 -8.807 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.140 -7.628 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.724 -7.645 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.358 -8.140 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.766 -6.965 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.654 -6.437 2.810 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.448 -4.488 5.172 1.00 0.00 N ATOM 1486 CA LEU A 102 -2.024 -4.210 5.173 1.00 0.00 C ATOM 1487 C LEU A 102 -1.312 -5.249 6.027 1.00 0.00 C ATOM 1488 O LEU A 102 -1.929 -5.928 6.859 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.659 -2.784 5.633 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.215 -1.581 4.839 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.373 -0.314 5.066 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.235 -1.755 3.328 1.00 0.00 C ATOM 0 H LEU A 102 -3.913 -4.310 6.062 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.690 -4.271 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.987 -2.677 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.572 -2.705 5.633 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.234 -1.502 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.795 0.511 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.379 -0.058 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.348 -0.495 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.642 -0.857 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.220 -1.922 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.857 -2.612 3.069 1.00 0.00 H new ATOM 1504 N CYS A 103 0.005 -5.316 5.853 1.00 0.00 N ATOM 1505 CA CYS A 103 0.925 -5.983 6.747 1.00 0.00 C ATOM 1506 C CYS A 103 1.873 -4.914 7.294 1.00 0.00 C ATOM 1507 O CYS A 103 2.353 -4.066 6.532 1.00 0.00 O ATOM 1508 CB CYS A 103 1.650 -7.096 5.975 1.00 0.00 C ATOM 1509 SG CYS A 103 2.742 -8.043 7.070 1.00 0.00 S ATOM 0 H CYS A 103 0.471 -4.888 5.053 1.00 0.00 H new ATOM 0 HA CYS A 103 0.424 -6.463 7.588 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.918 -7.763 5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.232 -6.660 5.163 1.00 0.00 H new ATOM 0 HG CYS A 103 2.178 -9.175 7.372 1.00 0.00 H new ATOM 1515 N ARG A 104 2.171 -4.983 8.592 1.00 0.00 N ATOM 1516 CA ARG A 104 3.223 -4.234 9.282 1.00 0.00 C ATOM 1517 C ARG A 104 4.567 -4.924 9.092 1.00 0.00 C ATOM 1518 O ARG A 104 4.595 -6.144 8.925 1.00 0.00 O ATOM 1519 CB ARG A 104 2.950 -4.217 10.796 1.00 0.00 C ATOM 1520 CG ARG A 104 3.140 -2.852 11.481 1.00 0.00 C ATOM 1521 CD ARG A 104 1.887 -2.244 12.115 1.00 0.00 C ATOM 1522 NE ARG A 104 1.066 -1.538 11.126 1.00 0.00 N ATOM 1523 CZ ARG A 104 0.249 -0.508 11.360 1.00 0.00 C ATOM 1524 NH1 ARG A 104 0.014 -0.059 12.590 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.327 0.061 10.313 1.00 0.00 N ATOM 0 H ARG A 104 1.657 -5.596 9.225 1.00 0.00 H new ATOM 0 HA ARG A 104 3.237 -3.224 8.871 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.927 -4.553 10.968 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.608 -4.941 11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.901 -2.958 12.255 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.530 -2.149 10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.296 -3.032 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.178 -1.553 12.906 1.00 0.00 H new ATOM 0 HE ARG A 104 1.125 -1.867 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.464 -0.504 13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.616 0.730 12.733 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.139 -0.290 9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.959 0.851 10.445 1.00 0.00 H new ATOM 1539 N GLY A 105 5.664 -4.184 9.210 1.00 0.00 N ATOM 1540 CA GLY A 105 6.977 -4.729 9.529 1.00 0.00 C ATOM 1541 C GLY A 105 7.992 -4.594 8.407 1.00 0.00 C ATOM 1542 O GLY A 105 9.185 -4.761 8.666 1.00 0.00 O ATOM 0 H GLY A 105 5.665 -3.172 9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.362 -4.226 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.869 -5.784 9.783 1.00 0.00 H new ATOM 1546 N TYR A 106 7.558 -4.322 7.174 1.00 0.00 N ATOM 1547 CA TYR A 106 8.476 -4.005 6.094 1.00 0.00 C ATOM 1548 C TYR A 106 8.830 -2.513 6.168 1.00 0.00 C ATOM 1549 O TYR A 106 7.965 -1.685 6.477 1.00 0.00 O ATOM 1550 CB TYR A 106 7.893 -4.420 4.738 1.00 0.00 C ATOM 1551 CG TYR A 106 7.853 -5.929 4.535 1.00 0.00 C ATOM 1552 CD1 TYR A 106 9.058 -6.660 4.511 1.00 0.00 C ATOM 1553 CD2 TYR A 106 6.630 -6.612 4.371 1.00 0.00 C ATOM 1554 CE1 TYR A 106 9.043 -8.057 4.351 1.00 0.00 C ATOM 1555 CE2 TYR A 106 6.607 -8.001 4.215 1.00 0.00 C ATOM 1556 CZ TYR A 106 7.809 -8.730 4.211 1.00 0.00 C ATOM 1557 OH TYR A 106 7.744 -10.079 4.088 1.00 0.00 O ATOM 0 H TYR A 106 6.574 -4.317 6.905 1.00 0.00 H new ATOM 0 HA TYR A 106 9.399 -4.575 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.883 -4.021 4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.486 -3.969 3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.000 -6.143 4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.703 -6.057 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 106 9.969 -8.612 4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.664 -8.515 4.097 1.00 0.00 H new ATOM 0 HH TYR A 106 8.496 -10.488 4.565 1.00 0.00 H new ATOM 1567 N PRO A 107 10.101 -2.156 5.923 1.00 0.00 N ATOM 1568 CA PRO A 107 10.567 -0.778 5.933 1.00 0.00 C ATOM 1569 C PRO A 107 10.120 -0.062 4.653 1.00 0.00 C ATOM 1570 O PRO A 107 9.520 -0.655 3.753 1.00 0.00 O ATOM 1571 CB PRO A 107 12.091 -0.889 6.020 1.00 0.00 C ATOM 1572 CG PRO A 107 12.356 -2.134 5.183 1.00 0.00 C ATOM 1573 CD PRO A 107 11.193 -3.045 5.555 1.00 0.00 C ATOM 0 HA PRO A 107 10.162 -0.195 6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.590 -0.009 5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.435 -1.005 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.369 -1.909 4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.318 -2.587 5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.913 -3.684 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.459 -3.702 6.383 1.00 0.00 H new ATOM 1581 N LEU A 108 10.424 1.230 4.558 1.00 0.00 N ATOM 1582 CA LEU A 108 10.177 1.996 3.344 1.00 0.00 C ATOM 1583 C LEU A 108 11.104 1.489 2.233 1.00 0.00 C ATOM 1584 O LEU A 108 12.246 1.128 2.521 1.00 0.00 O ATOM 1585 CB LEU A 108 10.418 3.485 3.614 1.00 0.00 C ATOM 1586 CG LEU A 108 9.354 4.059 4.569 1.00 0.00 C ATOM 1587 CD1 LEU A 108 9.953 5.181 5.415 1.00 0.00 C ATOM 1588 CD2 LEU A 108 8.132 4.575 3.806 1.00 0.00 C ATOM 0 H LEU A 108 10.845 1.770 5.314 1.00 0.00 H new ATOM 0 HA LEU A 108 9.142 1.868 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.409 3.623 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.400 4.035 2.673 1.00 0.00 H new ATOM 0 HG LEU A 108 9.025 3.250 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 108 9.191 5.578 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.784 4.790 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.312 5.977 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.403 4.972 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.438 5.364 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.683 3.757 3.243 1.00 0.00 H new ATOM 1600 N PRO A 109 10.646 1.483 0.970 1.00 0.00 N ATOM 1601 CA PRO A 109 11.452 0.987 -0.141 1.00 0.00 C ATOM 1602 C PRO A 109 12.581 1.962 -0.479 1.00 0.00 C ATOM 1603 O PRO A 109 13.696 1.552 -0.790 1.00 0.00 O ATOM 1604 CB PRO A 109 10.473 0.832 -1.306 1.00 0.00 C ATOM 1605 CG PRO A 109 9.324 1.792 -0.992 1.00 0.00 C ATOM 1606 CD PRO A 109 9.325 1.903 0.526 1.00 0.00 C ATOM 0 HA PRO A 109 11.942 0.043 0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.947 1.082 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 109 10.117 -0.195 -1.388 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.479 2.764 -1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.373 1.408 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.117 2.926 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.550 1.272 0.962 1.00 0.00 H new