USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 528 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= -0.229 USER MOD Set 2.1: A 35 CYS SG : rot 140:sc= 1.68 USER MOD Set 2.2: A 38 CYS SG : rot 55:sc= 0.675 USER MOD Set 2.3: A 58 CYS SG : rot -137:sc= -2.68! USER MOD Set 3.1: A 8 CYS SG : rot 167:sc= -0.524! USER MOD Set 3.2: A 11 CYS SG : rot -44:sc= 1.31 USER MOD Set 3.3: A 29 HIS : no HD1:sc= -0.0659 K(o=-1.5,f=-5.3!) USER MOD Set 3.4: A 32 CYS SG : rot 137:sc= -2.22! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0754 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.189 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 163:sc= 1.53 USER MOD Single : A 37 SER OG : rot 155:sc= 0.06 USER MOD Single : A 39 GLN : amide:sc= -3.17! K(o=-3.2!,f=-0.35) USER MOD Single : A 41 GLN : amide:sc= 1.54 K(o=1.5,f=-6.8!) USER MOD Single : A 47 THR OG1 : rot 73:sc= 0.152 USER MOD Single : A 48 SER OG : rot -14:sc= 0.709 USER MOD Single : A 49 SER OG : rot 150:sc= -1.34 USER MOD Single : A 50 TYR OH : rot 30:sc= 0.889 USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.21! USER MOD Single : A 53 SER OG : rot 119:sc= 0.434 USER MOD Single : A 55 MET CE :methyl -112:sc= -0.905 (180deg=-4.2!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -9.993 -3.599 -0.942 1.00 0.00 N ATOM 98 CA ARG A 7 -9.707 -3.895 0.468 1.00 0.00 C ATOM 99 C ARG A 7 -8.248 -3.548 0.821 1.00 0.00 C ATOM 100 O ARG A 7 -7.409 -3.388 -0.068 1.00 0.00 O ATOM 101 CB ARG A 7 -10.054 -5.373 0.763 1.00 0.00 C ATOM 102 CG ARG A 7 -9.190 -6.047 1.815 1.00 0.00 C ATOM 103 CD ARG A 7 -8.253 -7.065 1.192 1.00 0.00 C ATOM 104 NE ARG A 7 -6.919 -6.992 1.771 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.999 -7.951 1.659 1.00 0.00 C ATOM 106 NH1 ARG A 7 -6.294 -9.095 1.048 1.00 0.00 N ATOM 107 NH2 ARG A 7 -4.793 -7.770 2.181 1.00 0.00 N ATOM 0 HA ARG A 7 -10.331 -3.270 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.095 -5.428 1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.975 -5.939 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.609 -5.294 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.827 -6.538 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.657 -8.067 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.193 -6.895 0.117 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.672 -6.153 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.227 -9.242 0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.587 -9.826 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.572 -6.900 2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.086 -8.501 2.098 1.00 0.00 H new ATOM 121 N CYS A 8 -7.975 -3.307 2.107 1.00 0.00 N ATOM 122 CA CYS A 8 -6.651 -2.876 2.533 1.00 0.00 C ATOM 123 C CYS A 8 -5.615 -3.971 2.336 1.00 0.00 C ATOM 124 O CYS A 8 -5.678 -5.024 2.972 1.00 0.00 O ATOM 125 CB CYS A 8 -6.661 -2.451 3.997 1.00 0.00 C ATOM 126 SG CYS A 8 -5.062 -1.808 4.592 1.00 0.00 S ATOM 0 H CYS A 8 -8.653 -3.404 2.863 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.380 -2.023 1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.424 -1.685 4.137 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.949 -3.304 4.611 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.229 -1.227 5.743 1.00 0.00 H new ATOM 131 N ALA A 9 -4.600 -3.663 1.549 1.00 0.00 N ATOM 132 CA ALA A 9 -3.479 -4.565 1.359 1.00 0.00 C ATOM 133 C ALA A 9 -2.464 -4.389 2.480 1.00 0.00 C ATOM 134 O ALA A 9 -1.507 -5.154 2.591 1.00 0.00 O ATOM 135 CB ALA A 9 -2.828 -4.324 0.009 1.00 0.00 C ATOM 0 H ALA A 9 -4.529 -2.789 1.028 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.849 -5.590 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.989 -5.008 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.558 -4.494 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.469 -3.296 -0.043 1.00 0.00 H new ATOM 141 N GLY A 10 -2.704 -3.398 3.329 1.00 0.00 N ATOM 142 CA GLY A 10 -1.822 -3.146 4.447 1.00 0.00 C ATOM 143 C GLY A 10 -1.985 -4.169 5.546 1.00 0.00 C ATOM 144 O GLY A 10 -1.001 -4.734 6.025 1.00 0.00 O ATOM 0 H GLY A 10 -3.499 -2.762 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.789 -3.150 4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.020 -2.152 4.847 1.00 0.00 H new ATOM 148 N CYS A 11 -3.226 -4.469 5.894 1.00 0.00 N ATOM 149 CA CYS A 11 -3.496 -5.492 6.884 1.00 0.00 C ATOM 150 C CYS A 11 -4.176 -6.687 6.223 1.00 0.00 C ATOM 151 O CYS A 11 -3.512 -7.603 5.732 1.00 0.00 O ATOM 152 CB CYS A 11 -4.359 -4.930 8.025 1.00 0.00 C ATOM 153 SG CYS A 11 -5.831 -3.993 7.487 1.00 0.00 S ATOM 0 H CYS A 11 -4.056 -4.020 5.507 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.551 -5.824 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.684 -5.757 8.656 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.739 -4.281 8.644 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.505 -3.194 6.515 1.00 0.00 H new ATOM 158 N GLY A 12 -5.493 -6.634 6.155 1.00 0.00 N ATOM 159 CA GLY A 12 -6.259 -7.686 5.525 1.00 0.00 C ATOM 160 C GLY A 12 -7.724 -7.592 5.880 1.00 0.00 C ATOM 161 O GLY A 12 -8.231 -8.393 6.664 1.00 0.00 O ATOM 0 H GLY A 12 -6.054 -5.869 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.141 -7.626 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.870 -8.656 5.834 1.00 0.00 H new ATOM 165 N GLY A 13 -8.385 -6.571 5.360 1.00 0.00 N ATOM 166 CA GLY A 13 -9.764 -6.341 5.672 1.00 0.00 C ATOM 167 C GLY A 13 -10.269 -5.100 4.981 1.00 0.00 C ATOM 168 O GLY A 13 -9.512 -4.153 4.757 1.00 0.00 O ATOM 0 H GLY A 13 -7.976 -5.892 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.359 -7.201 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.885 -6.237 6.750 1.00 0.00 H new ATOM 172 N LYS A 14 -11.508 -5.151 4.549 1.00 0.00 N ATOM 173 CA LYS A 14 -12.124 -4.034 3.847 1.00 0.00 C ATOM 174 C LYS A 14 -12.121 -2.799 4.732 1.00 0.00 C ATOM 175 O LYS A 14 -12.599 -2.838 5.866 1.00 0.00 O ATOM 176 CB LYS A 14 -13.559 -4.369 3.433 1.00 0.00 C ATOM 177 CG LYS A 14 -13.689 -5.663 2.648 1.00 0.00 C ATOM 178 CD LYS A 14 -15.146 -6.039 2.439 1.00 0.00 C ATOM 179 CE LYS A 14 -15.649 -6.975 3.529 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.053 -6.675 3.909 1.00 0.00 N ATOM 0 H LYS A 14 -12.119 -5.959 4.670 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.543 -3.838 2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.178 -4.435 4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.953 -3.550 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.197 -5.555 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.177 -6.466 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.756 -5.136 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.262 -6.517 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.578 -8.006 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.008 -6.888 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.359 -7.333 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.116 -5.699 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.668 -6.782 3.077 1.00 0.00 H new ATOM 194 N ILE A 15 -11.505 -1.737 4.242 1.00 0.00 N ATOM 195 CA ILE A 15 -11.373 -0.508 5.005 1.00 0.00 C ATOM 196 C ILE A 15 -12.731 0.148 5.218 1.00 0.00 C ATOM 197 O ILE A 15 -13.386 0.567 4.263 1.00 0.00 O ATOM 198 CB ILE A 15 -10.429 0.488 4.305 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.302 -0.261 3.588 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.861 1.480 5.311 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.364 0.647 2.830 1.00 0.00 C ATOM 0 H ILE A 15 -11.086 -1.702 3.313 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.947 -0.774 5.972 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.999 1.045 3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.731 -0.830 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.738 -0.981 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.196 2.176 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.677 2.033 5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.303 0.942 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.591 0.050 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.923 1.198 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.900 1.350 3.522 1.00 0.00 H new ATOM 212 N ALA A 16 -13.139 0.249 6.474 1.00 0.00 N ATOM 213 CA ALA A 16 -14.411 0.869 6.818 1.00 0.00 C ATOM 214 C ALA A 16 -14.211 2.338 7.161 1.00 0.00 C ATOM 215 O ALA A 16 -15.055 2.965 7.799 1.00 0.00 O ATOM 216 CB ALA A 16 -15.067 0.132 7.974 1.00 0.00 C ATOM 0 H ALA A 16 -12.606 -0.091 7.275 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.072 0.806 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.016 0.609 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.244 -0.905 7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.411 0.163 8.844 1.00 0.00 H new ATOM 222 N ASP A 17 -13.095 2.882 6.708 1.00 0.00 N ATOM 223 CA ASP A 17 -12.789 4.288 6.906 1.00 0.00 C ATOM 224 C ASP A 17 -13.107 5.061 5.638 1.00 0.00 C ATOM 225 O ASP A 17 -12.994 4.525 4.535 1.00 0.00 O ATOM 226 CB ASP A 17 -11.314 4.468 7.273 1.00 0.00 C ATOM 227 CG ASP A 17 -11.082 4.538 8.769 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.019 4.908 9.513 1.00 0.00 O ATOM 229 OD2 ASP A 17 -9.961 4.221 9.215 1.00 0.00 O ATOM 0 H ASP A 17 -12.380 2.366 6.196 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.398 4.670 7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.738 3.640 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.938 5.380 6.809 1.00 0.00 H new ATOM 234 N ARG A 18 -13.503 6.315 5.791 1.00 0.00 N ATOM 235 CA ARG A 18 -13.812 7.157 4.641 1.00 0.00 C ATOM 236 C ARG A 18 -12.571 7.928 4.209 1.00 0.00 C ATOM 237 O ARG A 18 -12.592 8.684 3.239 1.00 0.00 O ATOM 238 CB ARG A 18 -14.964 8.117 4.954 1.00 0.00 C ATOM 239 CG ARG A 18 -14.835 8.838 6.284 1.00 0.00 C ATOM 240 CD ARG A 18 -16.077 8.652 7.141 1.00 0.00 C ATOM 241 NE ARG A 18 -16.045 7.389 7.872 1.00 0.00 N ATOM 242 CZ ARG A 18 -17.061 6.530 7.933 1.00 0.00 C ATOM 243 NH1 ARG A 18 -18.224 6.821 7.362 1.00 0.00 N ATOM 244 NH2 ARG A 18 -16.916 5.383 8.578 1.00 0.00 N ATOM 0 H ARG A 18 -13.618 6.773 6.695 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.130 6.514 3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.030 8.858 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.899 7.557 4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.963 8.463 6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.669 9.901 6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.159 9.479 7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.964 8.684 6.508 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.188 7.148 8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.344 7.708 6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.997 6.158 7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.028 5.159 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.692 4.723 8.626 1.00 0.00 H new ATOM 258 N PHE A 19 -11.468 7.658 4.892 1.00 0.00 N ATOM 259 CA PHE A 19 -10.178 8.232 4.538 1.00 0.00 C ATOM 260 C PHE A 19 -9.172 7.108 4.306 1.00 0.00 C ATOM 261 O PHE A 19 -8.506 6.662 5.241 1.00 0.00 O ATOM 262 CB PHE A 19 -9.653 9.160 5.643 1.00 0.00 C ATOM 263 CG PHE A 19 -10.710 9.814 6.487 1.00 0.00 C ATOM 264 CD1 PHE A 19 -11.574 10.750 5.948 1.00 0.00 C ATOM 265 CD2 PHE A 19 -10.823 9.502 7.832 1.00 0.00 C ATOM 266 CE1 PHE A 19 -12.536 11.358 6.731 1.00 0.00 C ATOM 267 CE2 PHE A 19 -11.779 10.110 8.621 1.00 0.00 C ATOM 268 CZ PHE A 19 -12.638 11.038 8.070 1.00 0.00 C ATOM 0 H PHE A 19 -11.441 7.039 5.702 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.307 8.821 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.995 8.586 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.045 9.939 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.496 11.009 4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.155 8.774 8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.208 12.083 6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.854 9.859 9.669 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.388 11.513 8.685 1.00 0.00 H new ATOM 278 N LEU A 20 -9.114 6.603 3.083 1.00 0.00 N ATOM 279 CA LEU A 20 -8.236 5.483 2.773 1.00 0.00 C ATOM 280 C LEU A 20 -7.023 5.931 1.979 1.00 0.00 C ATOM 281 O LEU A 20 -7.083 6.887 1.204 1.00 0.00 O ATOM 282 CB LEU A 20 -8.963 4.388 1.976 1.00 0.00 C ATOM 283 CG LEU A 20 -10.483 4.519 1.845 1.00 0.00 C ATOM 284 CD1 LEU A 20 -10.848 5.484 0.724 1.00 0.00 C ATOM 285 CD2 LEU A 20 -11.097 3.152 1.581 1.00 0.00 C ATOM 0 H LEU A 20 -9.660 6.947 2.293 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.916 5.076 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.537 4.360 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.744 3.427 2.442 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.879 4.917 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.933 5.561 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.428 6.467 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.445 5.115 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.179 3.251 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.690 2.743 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.863 2.482 2.408 1.00 0.00 H new ATOM 297 N LEU A 21 -5.988 5.120 2.047 1.00 0.00 N ATOM 298 CA LEU A 21 -4.823 5.295 1.212 1.00 0.00 C ATOM 299 C LEU A 21 -4.954 4.361 0.013 1.00 0.00 C ATOM 300 O LEU A 21 -5.641 3.347 0.087 1.00 0.00 O ATOM 301 CB LEU A 21 -3.554 4.972 2.008 1.00 0.00 C ATOM 302 CG LEU A 21 -2.377 5.924 1.787 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.491 5.966 3.021 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.573 5.503 0.567 1.00 0.00 C ATOM 0 H LEU A 21 -5.933 4.323 2.682 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.752 6.328 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.803 4.970 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.234 3.962 1.754 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.770 6.925 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.658 6.648 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.073 6.313 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.106 4.967 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.740 6.191 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.189 4.494 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.213 5.522 -0.315 1.00 0.00 H new ATOM 316 N TYR A 22 -4.342 4.723 -1.091 1.00 0.00 N ATOM 317 CA TYR A 22 -4.394 3.914 -2.297 1.00 0.00 C ATOM 318 C TYR A 22 -2.981 3.700 -2.819 1.00 0.00 C ATOM 319 O TYR A 22 -2.224 4.659 -2.974 1.00 0.00 O ATOM 320 CB TYR A 22 -5.257 4.579 -3.380 1.00 0.00 C ATOM 321 CG TYR A 22 -6.439 5.378 -2.860 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.321 6.727 -2.544 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.684 4.786 -2.717 1.00 0.00 C ATOM 324 CE1 TYR A 22 -7.406 7.452 -2.095 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.777 5.509 -2.277 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.632 6.843 -1.967 1.00 0.00 C ATOM 327 OH TYR A 22 -9.722 7.572 -1.541 1.00 0.00 O ATOM 0 H TYR A 22 -3.796 5.580 -1.183 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.849 2.955 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.624 5.240 -3.972 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.628 3.806 -4.053 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.364 7.216 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -7.803 3.739 -2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.292 8.496 -1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.740 5.030 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.511 6.991 -1.506 1.00 0.00 H new ATOM 337 N ALA A 23 -2.601 2.449 -3.030 1.00 0.00 N ATOM 338 CA ALA A 23 -1.260 2.147 -3.491 1.00 0.00 C ATOM 339 C ALA A 23 -1.235 0.843 -4.273 1.00 0.00 C ATOM 340 O ALA A 23 -1.562 -0.218 -3.734 1.00 0.00 O ATOM 341 CB ALA A 23 -0.296 2.092 -2.311 1.00 0.00 C ATOM 0 H ALA A 23 -3.199 1.634 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.939 2.943 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.707 1.864 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.289 3.056 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.616 1.316 -1.615 1.00 0.00 H new ATOM 347 N MET A 24 -0.847 0.936 -5.545 1.00 0.00 N ATOM 348 CA MET A 24 -0.773 -0.220 -6.438 1.00 0.00 C ATOM 349 C MET A 24 -2.138 -0.888 -6.591 1.00 0.00 C ATOM 350 O MET A 24 -2.276 -2.091 -6.371 1.00 0.00 O ATOM 351 CB MET A 24 0.264 -1.232 -5.938 1.00 0.00 C ATOM 352 CG MET A 24 1.596 -1.156 -6.669 1.00 0.00 C ATOM 353 SD MET A 24 2.496 -2.718 -6.637 1.00 0.00 S ATOM 354 CE MET A 24 2.117 -3.355 -8.270 1.00 0.00 C ATOM 0 H MET A 24 -0.575 1.815 -5.985 1.00 0.00 H new ATOM 0 HA MET A 24 -0.459 0.140 -7.418 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.434 -1.069 -4.874 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.142 -2.238 -6.045 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.422 -0.863 -7.704 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.210 -0.378 -6.216 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.603 -4.321 -8.406 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.038 -3.474 -8.373 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.479 -2.658 -9.026 1.00 0.00 H new ATOM 364 N ASP A 25 -3.140 -0.078 -6.947 1.00 0.00 N ATOM 365 CA ASP A 25 -4.526 -0.532 -7.160 1.00 0.00 C ATOM 366 C ASP A 25 -5.253 -0.836 -5.853 1.00 0.00 C ATOM 367 O ASP A 25 -6.435 -0.515 -5.707 1.00 0.00 O ATOM 368 CB ASP A 25 -4.588 -1.758 -8.074 1.00 0.00 C ATOM 369 CG ASP A 25 -5.001 -1.408 -9.487 1.00 0.00 C ATOM 370 OD1 ASP A 25 -6.153 -0.965 -9.685 1.00 0.00 O ATOM 371 OD2 ASP A 25 -4.179 -1.578 -10.411 1.00 0.00 O ATOM 0 H ASP A 25 -3.015 0.923 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.035 0.300 -7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.612 -2.242 -8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.293 -2.480 -7.661 1.00 0.00 H new ATOM 376 N SER A 26 -4.560 -1.458 -4.916 1.00 0.00 N ATOM 377 CA SER A 26 -5.158 -1.820 -3.644 1.00 0.00 C ATOM 378 C SER A 26 -5.208 -0.617 -2.723 1.00 0.00 C ATOM 379 O SER A 26 -4.452 0.342 -2.889 1.00 0.00 O ATOM 380 CB SER A 26 -4.365 -2.954 -2.996 1.00 0.00 C ATOM 381 OG SER A 26 -3.396 -3.467 -3.896 1.00 0.00 O ATOM 0 H SER A 26 -3.580 -1.723 -5.013 1.00 0.00 H new ATOM 0 HA SER A 26 -6.178 -2.162 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.874 -2.591 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.043 -3.751 -2.691 1.00 0.00 H new ATOM 0 HG SER A 26 -2.898 -4.191 -3.462 1.00 0.00 H new ATOM 387 N TYR A 27 -6.111 -0.662 -1.767 1.00 0.00 N ATOM 388 CA TYR A 27 -6.251 0.419 -0.818 1.00 0.00 C ATOM 389 C TYR A 27 -5.564 0.029 0.476 1.00 0.00 C ATOM 390 O TYR A 27 -5.253 -1.141 0.682 1.00 0.00 O ATOM 391 CB TYR A 27 -7.727 0.744 -0.587 1.00 0.00 C ATOM 392 CG TYR A 27 -8.420 1.340 -1.799 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.760 1.475 -3.020 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.743 1.756 -1.723 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.401 2.000 -4.123 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.388 2.289 -2.822 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.713 2.407 -4.019 1.00 0.00 C ATOM 398 OH TYR A 27 -10.357 2.921 -5.120 1.00 0.00 O ATOM 0 H TYR A 27 -6.759 -1.437 -1.627 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.779 1.319 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.248 -0.167 -0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.810 1.441 0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.729 1.163 -3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.276 1.661 -0.789 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.877 2.091 -5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.416 2.612 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.277 3.159 -4.879 1.00 0.00 H new ATOM 408 N TRP A 28 -5.195 1.019 1.261 1.00 0.00 N ATOM 409 CA TRP A 28 -4.431 0.793 2.476 1.00 0.00 C ATOM 410 C TRP A 28 -4.988 1.651 3.601 1.00 0.00 C ATOM 411 O TRP A 28 -5.553 2.718 3.352 1.00 0.00 O ATOM 412 CB TRP A 28 -2.951 1.157 2.266 1.00 0.00 C ATOM 413 CG TRP A 28 -2.219 0.322 1.250 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.475 0.233 -0.088 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.082 -0.514 1.491 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.582 -0.621 -0.687 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.715 -1.089 0.261 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.338 -0.832 2.631 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.357 -1.969 0.139 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.726 -1.707 2.507 1.00 0.00 C ATOM 421 CH2 TRP A 28 1.067 -2.261 1.271 1.00 0.00 C ATOM 0 H TRP A 28 -5.413 1.999 1.079 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.508 -0.263 2.733 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.891 2.202 1.963 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.434 1.072 3.222 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.266 0.759 -0.602 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.568 -0.866 -1.677 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.589 -0.403 3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.618 -2.405 -0.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.304 -1.967 3.382 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.909 -2.934 1.208 1.00 0.00 H new ATOM 432 N HIS A 29 -4.644 1.298 4.827 1.00 0.00 N ATOM 433 CA HIS A 29 -4.897 2.181 5.949 1.00 0.00 C ATOM 434 C HIS A 29 -3.781 3.208 5.987 1.00 0.00 C ATOM 435 O HIS A 29 -2.677 2.937 5.507 1.00 0.00 O ATOM 436 CB HIS A 29 -4.931 1.412 7.275 1.00 0.00 C ATOM 437 CG HIS A 29 -6.254 0.792 7.598 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.457 -0.556 7.478 1.00 0.00 N ATOM 439 CD2 HIS A 29 -7.394 1.367 8.060 1.00 0.00 C ATOM 440 CE1 HIS A 29 -7.698 -0.787 7.862 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.309 0.354 8.227 1.00 0.00 N ATOM 0 H HIS A 29 -4.193 0.415 5.069 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.870 2.656 5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.174 0.628 7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.655 2.091 8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.552 2.417 8.258 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.161 -1.762 7.881 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.267 0.450 8.563 1.00 0.00 H new ATOM 449 N SER A 30 -4.043 4.365 6.562 1.00 0.00 N ATOM 450 CA SER A 30 -3.033 5.403 6.651 1.00 0.00 C ATOM 451 C SER A 30 -1.841 4.921 7.483 1.00 0.00 C ATOM 452 O SER A 30 -0.707 5.340 7.265 1.00 0.00 O ATOM 453 CB SER A 30 -3.650 6.659 7.257 1.00 0.00 C ATOM 454 OG SER A 30 -4.969 6.392 7.712 1.00 0.00 O ATOM 0 H SER A 30 -4.943 4.610 6.974 1.00 0.00 H new ATOM 0 HA SER A 30 -2.667 5.638 5.652 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.036 7.010 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.669 7.457 6.515 1.00 0.00 H new ATOM 0 HG SER A 30 -5.352 7.206 8.100 1.00 0.00 H new ATOM 460 N ARG A 31 -2.108 4.003 8.406 1.00 0.00 N ATOM 461 CA ARG A 31 -1.067 3.427 9.246 1.00 0.00 C ATOM 462 C ARG A 31 -0.644 2.045 8.740 1.00 0.00 C ATOM 463 O ARG A 31 0.188 1.382 9.354 1.00 0.00 O ATOM 464 CB ARG A 31 -1.554 3.320 10.692 1.00 0.00 C ATOM 465 CG ARG A 31 -0.433 3.270 11.714 1.00 0.00 C ATOM 466 CD ARG A 31 -0.346 4.560 12.505 1.00 0.00 C ATOM 467 NE ARG A 31 0.890 5.291 12.224 1.00 0.00 N ATOM 468 CZ ARG A 31 1.935 5.337 13.049 1.00 0.00 C ATOM 469 NH1 ARG A 31 1.918 4.645 14.183 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.999 6.066 12.730 1.00 0.00 N ATOM 0 H ARG A 31 -3.043 3.641 8.591 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.201 4.087 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.197 4.172 10.913 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.166 2.424 10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.597 2.435 12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.515 3.088 11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.203 5.190 12.266 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.401 4.337 13.570 1.00 0.00 H new ATOM 0 HE ARG A 31 0.956 5.797 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.105 4.078 14.422 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.718 4.681 14.814 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.015 6.589 11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.800 6.102 13.361 1.00 0.00 H new ATOM 484 N CYS A 32 -1.229 1.599 7.633 1.00 0.00 N ATOM 485 CA CYS A 32 -0.902 0.289 7.084 1.00 0.00 C ATOM 486 C CYS A 32 0.186 0.402 6.015 1.00 0.00 C ATOM 487 O CYS A 32 1.035 -0.483 5.890 1.00 0.00 O ATOM 488 CB CYS A 32 -2.154 -0.392 6.520 1.00 0.00 C ATOM 489 SG CYS A 32 -3.061 -1.410 7.739 1.00 0.00 S ATOM 0 H CYS A 32 -1.926 2.121 7.102 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.515 -0.330 7.893 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.826 0.372 6.129 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.865 -1.022 5.679 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.338 -1.206 7.610 1.00 0.00 H new ATOM 494 N LEU A 33 0.226 1.531 5.318 1.00 0.00 N ATOM 495 CA LEU A 33 1.291 1.780 4.352 1.00 0.00 C ATOM 496 C LEU A 33 2.527 2.314 5.066 1.00 0.00 C ATOM 497 O LEU A 33 2.721 3.524 5.189 1.00 0.00 O ATOM 498 CB LEU A 33 0.841 2.764 3.268 1.00 0.00 C ATOM 499 CG LEU A 33 1.860 2.992 2.146 1.00 0.00 C ATOM 500 CD1 LEU A 33 1.851 1.834 1.165 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.579 4.294 1.422 1.00 0.00 C ATOM 0 H LEU A 33 -0.459 2.282 5.401 1.00 0.00 H new ATOM 0 HA LEU A 33 1.535 0.835 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.087 2.399 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.617 3.722 3.737 1.00 0.00 H new ATOM 0 HG LEU A 33 2.850 3.053 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.582 2.018 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.106 0.912 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.859 1.739 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.314 4.436 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.580 4.261 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.641 5.123 2.127 1.00 0.00 H new ATOM 513 N LYS A 34 3.304 1.400 5.620 1.00 0.00 N ATOM 514 CA LYS A 34 4.469 1.765 6.407 1.00 0.00 C ATOM 515 C LYS A 34 5.677 0.922 6.021 1.00 0.00 C ATOM 516 O LYS A 34 5.546 -0.098 5.339 1.00 0.00 O ATOM 517 CB LYS A 34 4.167 1.596 7.901 1.00 0.00 C ATOM 518 CG LYS A 34 4.202 0.152 8.380 1.00 0.00 C ATOM 519 CD LYS A 34 2.814 -0.364 8.709 1.00 0.00 C ATOM 520 CE LYS A 34 2.652 -1.822 8.312 1.00 0.00 C ATOM 521 NZ LYS A 34 1.905 -2.594 9.335 1.00 0.00 N ATOM 0 H LYS A 34 3.148 0.395 5.539 1.00 0.00 H new ATOM 0 HA LYS A 34 4.704 2.810 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.889 2.176 8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.183 2.014 8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.651 -0.476 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.837 0.077 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.628 -0.254 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.068 0.240 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.129 -1.882 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.635 -2.270 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.816 -3.583 9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.417 -2.558 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.958 -2.183 9.457 1.00 0.00 H new ATOM 535 N CYS A 35 6.838 1.334 6.511 1.00 0.00 N ATOM 536 CA CYS A 35 8.076 0.610 6.286 1.00 0.00 C ATOM 537 C CYS A 35 8.019 -0.756 6.959 1.00 0.00 C ATOM 538 O CYS A 35 7.446 -0.903 8.041 1.00 0.00 O ATOM 539 CB CYS A 35 9.245 1.424 6.841 1.00 0.00 C ATOM 540 SG CYS A 35 10.904 0.769 6.449 1.00 0.00 S ATOM 0 H CYS A 35 6.946 2.178 7.074 1.00 0.00 H new ATOM 0 HA CYS A 35 8.216 0.460 5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.173 2.441 6.456 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.143 1.485 7.924 1.00 0.00 H new ATOM 0 HG CYS A 35 11.704 1.754 6.169 1.00 0.00 H new ATOM 545 N SER A 36 8.649 -1.740 6.339 1.00 0.00 N ATOM 546 CA SER A 36 8.715 -3.080 6.900 1.00 0.00 C ATOM 547 C SER A 36 9.690 -3.120 8.072 1.00 0.00 C ATOM 548 O SER A 36 9.677 -4.053 8.878 1.00 0.00 O ATOM 549 CB SER A 36 9.135 -4.082 5.822 1.00 0.00 C ATOM 550 OG SER A 36 9.084 -3.486 4.534 1.00 0.00 O ATOM 0 H SER A 36 9.124 -1.635 5.443 1.00 0.00 H new ATOM 0 HA SER A 36 7.726 -3.354 7.266 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.145 -4.438 6.023 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.479 -4.952 5.852 1.00 0.00 H new ATOM 0 HG SER A 36 9.601 -4.028 3.902 1.00 0.00 H new ATOM 556 N SER A 37 10.542 -2.105 8.157 1.00 0.00 N ATOM 557 CA SER A 37 11.530 -2.032 9.217 1.00 0.00 C ATOM 558 C SER A 37 11.215 -0.899 10.193 1.00 0.00 C ATOM 559 O SER A 37 11.270 -1.087 11.410 1.00 0.00 O ATOM 560 CB SER A 37 12.919 -1.857 8.609 1.00 0.00 C ATOM 561 OG SER A 37 12.985 -2.472 7.329 1.00 0.00 O ATOM 0 H SER A 37 10.565 -1.323 7.503 1.00 0.00 H new ATOM 0 HA SER A 37 11.503 -2.963 9.783 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.153 -0.796 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.668 -2.295 9.268 1.00 0.00 H new ATOM 0 HG SER A 37 13.688 -2.045 6.797 1.00 0.00 H new ATOM 567 N CYS A 38 10.824 0.259 9.667 1.00 0.00 N ATOM 568 CA CYS A 38 10.474 1.388 10.519 1.00 0.00 C ATOM 569 C CYS A 38 9.095 1.202 11.135 1.00 0.00 C ATOM 570 O CYS A 38 8.916 1.391 12.339 1.00 0.00 O ATOM 571 CB CYS A 38 10.496 2.699 9.732 1.00 0.00 C ATOM 572 SG CYS A 38 12.148 3.205 9.174 1.00 0.00 S ATOM 0 H CYS A 38 10.743 0.438 8.666 1.00 0.00 H new ATOM 0 HA CYS A 38 11.219 1.433 11.313 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.846 2.599 8.863 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.077 3.490 10.354 1.00 0.00 H new ATOM 0 HG CYS A 38 12.686 2.244 8.484 1.00 0.00 H new ATOM 577 N GLN A 39 8.115 0.910 10.281 1.00 0.00 N ATOM 578 CA GLN A 39 6.721 0.778 10.700 1.00 0.00 C ATOM 579 C GLN A 39 6.186 2.113 11.215 1.00 0.00 C ATOM 580 O GLN A 39 5.309 2.159 12.083 1.00 0.00 O ATOM 581 CB GLN A 39 6.567 -0.304 11.771 1.00 0.00 C ATOM 582 CG GLN A 39 6.067 -1.633 11.230 1.00 0.00 C ATOM 583 CD GLN A 39 7.185 -2.624 10.959 1.00 0.00 C ATOM 584 OE1 GLN A 39 6.985 -3.626 10.273 1.00 0.00 O ATOM 585 NE2 GLN A 39 8.367 -2.359 11.495 1.00 0.00 N ATOM 0 H GLN A 39 8.264 0.759 9.283 1.00 0.00 H new ATOM 0 HA GLN A 39 6.137 0.480 9.829 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.529 -0.459 12.259 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.876 0.050 12.536 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.368 -2.069 11.944 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.513 -1.458 10.308 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.495 -1.518 12.058 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.149 -2.996 11.345 1.00 0.00 H new ATOM 594 N ALA A 40 6.723 3.197 10.674 1.00 0.00 N ATOM 595 CA ALA A 40 6.314 4.531 11.069 1.00 0.00 C ATOM 596 C ALA A 40 5.337 5.117 10.054 1.00 0.00 C ATOM 597 O ALA A 40 4.669 4.386 9.324 1.00 0.00 O ATOM 598 CB ALA A 40 7.537 5.425 11.222 1.00 0.00 C ATOM 0 H ALA A 40 7.447 3.175 9.956 1.00 0.00 H new ATOM 0 HA ALA A 40 5.803 4.472 12.030 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.222 6.425 11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.197 5.011 11.985 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.069 5.479 10.272 1.00 0.00 H new ATOM 604 N GLN A 41 5.278 6.435 9.993 1.00 0.00 N ATOM 605 CA GLN A 41 4.398 7.122 9.062 1.00 0.00 C ATOM 606 C GLN A 41 5.158 7.509 7.800 1.00 0.00 C ATOM 607 O GLN A 41 5.893 8.498 7.782 1.00 0.00 O ATOM 608 CB GLN A 41 3.789 8.362 9.723 1.00 0.00 C ATOM 609 CG GLN A 41 2.419 8.743 9.179 1.00 0.00 C ATOM 610 CD GLN A 41 1.482 7.558 9.066 1.00 0.00 C ATOM 611 OE1 GLN A 41 1.495 6.654 9.903 1.00 0.00 O ATOM 612 NE2 GLN A 41 0.649 7.565 8.039 1.00 0.00 N ATOM 0 H GLN A 41 5.833 7.056 10.582 1.00 0.00 H new ATOM 0 HA GLN A 41 3.590 6.446 8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.707 8.186 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.469 9.203 9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.971 9.494 9.830 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.538 9.202 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.672 8.334 7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.016 6.802 7.917 1.00 0.00 H new ATOM 621 N LEU A 42 4.991 6.710 6.753 1.00 0.00 N ATOM 622 CA LEU A 42 5.685 6.934 5.486 1.00 0.00 C ATOM 623 C LEU A 42 5.097 8.128 4.734 1.00 0.00 C ATOM 624 O LEU A 42 5.599 8.526 3.683 1.00 0.00 O ATOM 625 CB LEU A 42 5.608 5.675 4.615 1.00 0.00 C ATOM 626 CG LEU A 42 6.904 5.277 3.898 1.00 0.00 C ATOM 627 CD1 LEU A 42 8.122 5.837 4.617 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.004 3.766 3.791 1.00 0.00 C ATOM 0 H LEU A 42 4.377 5.895 6.755 1.00 0.00 H new ATOM 0 HA LEU A 42 6.729 7.156 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.292 4.841 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.831 5.822 3.865 1.00 0.00 H new ATOM 0 HG LEU A 42 6.879 5.701 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.026 5.539 4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.060 6.925 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.154 5.449 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.929 3.498 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.002 3.330 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.153 3.384 3.226 1.00 0.00 H new ATOM 640 N GLY A 43 4.040 8.700 5.287 1.00 0.00 N ATOM 641 CA GLY A 43 3.411 9.848 4.674 1.00 0.00 C ATOM 642 C GLY A 43 3.379 11.046 5.598 1.00 0.00 C ATOM 643 O GLY A 43 2.557 11.943 5.431 1.00 0.00 O ATOM 0 H GLY A 43 3.605 8.387 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.947 10.110 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.393 9.589 4.382 1.00 0.00 H new ATOM 647 N ASP A 44 4.265 11.057 6.585 1.00 0.00 N ATOM 648 CA ASP A 44 4.322 12.160 7.542 1.00 0.00 C ATOM 649 C ASP A 44 5.521 13.052 7.272 1.00 0.00 C ATOM 650 O ASP A 44 5.397 14.274 7.178 1.00 0.00 O ATOM 651 CB ASP A 44 4.399 11.628 8.973 1.00 0.00 C ATOM 652 CG ASP A 44 4.144 12.708 10.003 1.00 0.00 C ATOM 653 OD1 ASP A 44 2.962 13.038 10.239 1.00 0.00 O ATOM 654 OD2 ASP A 44 5.117 13.233 10.578 1.00 0.00 O ATOM 0 H ASP A 44 4.952 10.320 6.746 1.00 0.00 H new ATOM 0 HA ASP A 44 3.411 12.746 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.669 10.828 9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.383 11.192 9.143 1.00 0.00 H new ATOM 659 N ILE A 45 6.684 12.429 7.155 1.00 0.00 N ATOM 660 CA ILE A 45 7.930 13.148 6.916 1.00 0.00 C ATOM 661 C ILE A 45 8.245 13.191 5.426 1.00 0.00 C ATOM 662 O ILE A 45 9.301 12.735 4.985 1.00 0.00 O ATOM 663 CB ILE A 45 9.106 12.489 7.667 1.00 0.00 C ATOM 664 CG1 ILE A 45 8.929 10.967 7.707 1.00 0.00 C ATOM 665 CG2 ILE A 45 9.211 13.047 9.076 1.00 0.00 C ATOM 666 CD1 ILE A 45 10.230 10.202 7.614 1.00 0.00 C ATOM 0 H ILE A 45 6.793 11.417 7.222 1.00 0.00 H new ATOM 0 HA ILE A 45 7.800 14.164 7.289 1.00 0.00 H new ATOM 0 HB ILE A 45 10.029 12.716 7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.422 10.693 8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.280 10.664 6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.045 12.573 9.594 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.377 14.123 9.030 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.286 12.846 9.617 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.026 9.132 7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.729 10.446 6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.874 10.476 8.450 1.00 0.00 H new ATOM 677 N GLY A 46 7.274 13.649 4.651 1.00 0.00 N ATOM 678 CA GLY A 46 7.404 13.633 3.211 1.00 0.00 C ATOM 679 C GLY A 46 6.776 12.388 2.629 1.00 0.00 C ATOM 680 O GLY A 46 7.124 11.276 3.023 1.00 0.00 O ATOM 0 H GLY A 46 6.395 14.033 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.927 14.518 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.458 13.677 2.936 1.00 0.00 H new ATOM 684 N THR A 47 5.764 12.560 1.794 1.00 0.00 N ATOM 685 CA THR A 47 5.025 11.421 1.284 1.00 0.00 C ATOM 686 C THR A 47 5.789 10.742 0.152 1.00 0.00 C ATOM 687 O THR A 47 5.731 11.176 -1.000 1.00 0.00 O ATOM 688 CB THR A 47 3.655 11.884 0.760 1.00 0.00 C ATOM 689 OG1 THR A 47 3.597 13.320 0.781 1.00 0.00 O ATOM 690 CG2 THR A 47 2.526 11.314 1.601 1.00 0.00 C ATOM 0 H THR A 47 5.440 13.467 1.459 1.00 0.00 H new ATOM 0 HA THR A 47 4.892 10.708 2.097 1.00 0.00 H new ATOM 0 HB THR A 47 3.535 11.521 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.159 13.681 0.064 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.570 11.658 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.562 10.225 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.636 11.649 2.632 1.00 0.00 H new ATOM 698 N SER A 48 6.448 9.637 0.476 1.00 0.00 N ATOM 699 CA SER A 48 7.180 8.849 -0.506 1.00 0.00 C ATOM 700 C SER A 48 7.450 7.448 0.034 1.00 0.00 C ATOM 701 O SER A 48 8.271 7.269 0.935 1.00 0.00 O ATOM 702 CB SER A 48 8.509 9.524 -0.871 1.00 0.00 C ATOM 703 OG SER A 48 8.308 10.820 -1.413 1.00 0.00 O ATOM 0 H SER A 48 6.490 9.263 1.424 1.00 0.00 H new ATOM 0 HA SER A 48 6.566 8.778 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.137 9.594 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.045 8.907 -1.592 1.00 0.00 H new ATOM 0 HG SER A 48 7.366 10.929 -1.658 1.00 0.00 H new ATOM 709 N SER A 49 6.806 6.457 -0.554 1.00 0.00 N ATOM 710 CA SER A 49 7.041 5.072 -0.182 1.00 0.00 C ATOM 711 C SER A 49 7.700 4.339 -1.342 1.00 0.00 C ATOM 712 O SER A 49 7.648 4.809 -2.480 1.00 0.00 O ATOM 713 CB SER A 49 5.719 4.399 0.192 1.00 0.00 C ATOM 714 OG SER A 49 4.673 4.808 -0.672 1.00 0.00 O ATOM 0 H SER A 49 6.114 6.585 -1.293 1.00 0.00 H new ATOM 0 HA SER A 49 7.704 5.037 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.833 3.316 0.143 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.461 4.646 1.222 1.00 0.00 H new ATOM 0 HG SER A 49 4.018 4.084 -0.758 1.00 0.00 H new ATOM 720 N TYR A 50 8.346 3.217 -1.057 1.00 0.00 N ATOM 721 CA TYR A 50 9.008 2.444 -2.096 1.00 0.00 C ATOM 722 C TYR A 50 8.363 1.075 -2.243 1.00 0.00 C ATOM 723 O TYR A 50 8.363 0.278 -1.305 1.00 0.00 O ATOM 724 CB TYR A 50 10.492 2.279 -1.779 1.00 0.00 C ATOM 725 CG TYR A 50 11.365 3.338 -2.406 1.00 0.00 C ATOM 726 CD1 TYR A 50 11.626 3.332 -3.771 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.928 4.343 -1.632 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.428 4.300 -4.346 1.00 0.00 C ATOM 729 CE2 TYR A 50 12.728 5.315 -2.199 1.00 0.00 C ATOM 730 CZ TYR A 50 12.977 5.291 -3.554 1.00 0.00 C ATOM 731 OH TYR A 50 13.777 6.262 -4.116 1.00 0.00 O ATOM 0 H TYR A 50 8.425 2.824 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 50 8.902 2.987 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.629 2.301 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.821 1.298 -2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.196 2.560 -4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.737 4.365 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.625 4.282 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.157 6.091 -1.583 1.00 0.00 H new ATOM 0 HH TYR A 50 13.498 6.420 -5.042 1.00 0.00 H new ATOM 741 N THR A 51 7.828 0.804 -3.424 1.00 0.00 N ATOM 742 CA THR A 51 7.208 -0.482 -3.703 1.00 0.00 C ATOM 743 C THR A 51 8.225 -1.457 -4.277 1.00 0.00 C ATOM 744 O THR A 51 8.535 -1.404 -5.466 1.00 0.00 O ATOM 745 CB THR A 51 6.056 -0.345 -4.713 1.00 0.00 C ATOM 746 OG1 THR A 51 5.919 1.022 -5.133 1.00 0.00 O ATOM 747 CG2 THR A 51 4.750 -0.836 -4.110 1.00 0.00 C ATOM 0 H THR A 51 7.811 1.459 -4.206 1.00 0.00 H new ATOM 0 HA THR A 51 6.819 -0.856 -2.756 1.00 0.00 H new ATOM 0 HB THR A 51 6.291 -0.961 -5.581 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.184 1.094 -5.777 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.949 -0.730 -4.842 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.850 -1.885 -3.831 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.513 -0.246 -3.225 1.00 0.00 H new ATOM 755 N LYS A 52 8.716 -2.367 -3.449 1.00 0.00 N ATOM 756 CA LYS A 52 9.679 -3.364 -3.901 1.00 0.00 C ATOM 757 C LYS A 52 9.541 -4.640 -3.079 1.00 0.00 C ATOM 758 O LYS A 52 9.269 -4.578 -1.881 1.00 0.00 O ATOM 759 CB LYS A 52 11.113 -2.820 -3.796 1.00 0.00 C ATOM 760 CG LYS A 52 11.507 -1.891 -4.939 1.00 0.00 C ATOM 761 CD LYS A 52 12.392 -2.593 -5.956 1.00 0.00 C ATOM 762 CE LYS A 52 13.277 -1.614 -6.720 1.00 0.00 C ATOM 763 NZ LYS A 52 12.495 -0.691 -7.587 1.00 0.00 N ATOM 0 H LYS A 52 8.465 -2.437 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 52 9.472 -3.592 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.220 -2.285 -2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.808 -3.659 -3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.609 -1.521 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.031 -1.023 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.018 -3.325 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.768 -3.143 -6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.863 -1.030 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.984 -2.172 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.144 -0.047 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.955 -1.243 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.839 -0.137 -7.001 1.00 0.00 H new ATOM 777 N SER A 53 9.684 -5.786 -3.742 1.00 0.00 N ATOM 778 CA SER A 53 9.571 -7.092 -3.094 1.00 0.00 C ATOM 779 C SER A 53 8.179 -7.306 -2.503 1.00 0.00 C ATOM 780 O SER A 53 8.021 -8.033 -1.524 1.00 0.00 O ATOM 781 CB SER A 53 10.632 -7.231 -2.000 1.00 0.00 C ATOM 782 OG SER A 53 11.927 -6.945 -2.506 1.00 0.00 O ATOM 0 H SER A 53 9.881 -5.836 -4.742 1.00 0.00 H new ATOM 0 HA SER A 53 9.733 -7.856 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.402 -6.554 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.611 -8.243 -1.595 1.00 0.00 H new ATOM 0 HG SER A 53 12.302 -6.175 -2.029 1.00 0.00 H new ATOM 788 N GLY A 54 7.179 -6.647 -3.080 1.00 0.00 N ATOM 789 CA GLY A 54 5.824 -6.750 -2.565 1.00 0.00 C ATOM 790 C GLY A 54 5.696 -6.157 -1.174 1.00 0.00 C ATOM 791 O GLY A 54 4.761 -6.461 -0.436 1.00 0.00 O ATOM 0 H GLY A 54 7.282 -6.043 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.140 -6.238 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.524 -7.798 -2.541 1.00 0.00 H new ATOM 795 N MET A 55 6.663 -5.328 -0.809 1.00 0.00 N ATOM 796 CA MET A 55 6.685 -4.696 0.496 1.00 0.00 C ATOM 797 C MET A 55 6.901 -3.196 0.339 1.00 0.00 C ATOM 798 O MET A 55 7.177 -2.715 -0.761 1.00 0.00 O ATOM 799 CB MET A 55 7.777 -5.321 1.378 1.00 0.00 C ATOM 800 CG MET A 55 9.153 -4.691 1.219 1.00 0.00 C ATOM 801 SD MET A 55 10.358 -5.352 2.384 1.00 0.00 S ATOM 802 CE MET A 55 11.736 -5.685 1.288 1.00 0.00 C ATOM 0 H MET A 55 7.450 -5.077 -1.408 1.00 0.00 H new ATOM 0 HA MET A 55 5.726 -4.859 0.987 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.473 -5.241 2.422 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.849 -6.384 1.147 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.508 -4.856 0.202 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.073 -3.613 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 55 11.887 -6.762 1.210 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.522 -5.277 0.300 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.638 -5.220 1.686 1.00 0.00 H new ATOM 812 N ILE A 56 6.750 -2.464 1.430 1.00 0.00 N ATOM 813 CA ILE A 56 6.893 -1.016 1.407 1.00 0.00 C ATOM 814 C ILE A 56 7.998 -0.577 2.357 1.00 0.00 C ATOM 815 O ILE A 56 7.962 -0.882 3.547 1.00 0.00 O ATOM 816 CB ILE A 56 5.575 -0.314 1.804 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.389 -0.906 1.033 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.671 1.183 1.567 1.00 0.00 C ATOM 819 CD1 ILE A 56 4.402 -0.600 -0.452 1.00 0.00 C ATOM 0 H ILE A 56 6.527 -2.850 2.347 1.00 0.00 H new ATOM 0 HA ILE A 56 7.149 -0.729 0.387 1.00 0.00 H new ATOM 0 HB ILE A 56 5.409 -0.483 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.383 -1.987 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.463 -0.525 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.732 1.658 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.483 1.595 2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.866 1.372 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.531 -1.054 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.375 0.479 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.310 -1.005 -0.899 1.00 0.00 H new ATOM 830 N LEU A 57 8.987 0.121 1.826 1.00 0.00 N ATOM 831 CA LEU A 57 10.097 0.602 2.635 1.00 0.00 C ATOM 832 C LEU A 57 10.213 2.112 2.539 1.00 0.00 C ATOM 833 O LEU A 57 9.719 2.722 1.584 1.00 0.00 O ATOM 834 CB LEU A 57 11.414 -0.033 2.178 1.00 0.00 C ATOM 835 CG LEU A 57 11.426 -1.559 2.127 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.695 -2.032 0.709 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.468 -2.115 3.087 1.00 0.00 C ATOM 0 H LEU A 57 9.045 0.368 0.838 1.00 0.00 H new ATOM 0 HA LEU A 57 9.901 0.320 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.656 0.348 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.208 0.297 2.848 1.00 0.00 H new ATOM 0 HG LEU A 57 10.448 -1.929 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.701 -3.122 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.914 -1.658 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.663 -1.656 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.463 -3.204 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.454 -1.743 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.234 -1.796 4.103 1.00 0.00 H new ATOM 849 N CYS A 58 10.977 2.690 3.454 1.00 0.00 N ATOM 850 CA CYS A 58 11.307 4.099 3.383 1.00 0.00 C ATOM 851 C CYS A 58 12.492 4.281 2.443 1.00 0.00 C ATOM 852 O CYS A 58 13.087 3.297 2.007 1.00 0.00 O ATOM 853 CB CYS A 58 11.653 4.636 4.773 1.00 0.00 C ATOM 854 SG CYS A 58 13.134 3.874 5.513 1.00 0.00 S ATOM 0 H CYS A 58 11.379 2.201 4.254 1.00 0.00 H new ATOM 0 HA CYS A 58 10.448 4.654 3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.805 5.713 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.803 4.474 5.436 1.00 0.00 H new ATOM 0 HG CYS A 58 12.905 3.607 6.764 1.00 0.00 H new ATOM 859 N ARG A 59 12.876 5.519 2.183 1.00 0.00 N ATOM 860 CA ARG A 59 14.035 5.777 1.341 1.00 0.00 C ATOM 861 C ARG A 59 15.303 5.234 1.994 1.00 0.00 C ATOM 862 O ARG A 59 16.111 4.580 1.343 1.00 0.00 O ATOM 863 CB ARG A 59 14.189 7.274 1.068 1.00 0.00 C ATOM 864 CG ARG A 59 15.349 7.598 0.139 1.00 0.00 C ATOM 865 CD ARG A 59 14.866 7.959 -1.258 1.00 0.00 C ATOM 866 NE ARG A 59 14.090 9.198 -1.253 1.00 0.00 N ATOM 867 CZ ARG A 59 13.265 9.579 -2.226 1.00 0.00 C ATOM 868 NH1 ARG A 59 13.107 8.827 -3.309 1.00 0.00 N ATOM 869 NH2 ARG A 59 12.594 10.718 -2.099 1.00 0.00 N ATOM 0 H ARG A 59 12.409 6.354 2.537 1.00 0.00 H new ATOM 0 HA ARG A 59 13.880 5.266 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.265 7.654 0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.333 7.796 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 59 15.925 8.427 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 59 16.020 6.741 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.722 8.068 -1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.255 7.148 -1.654 1.00 0.00 H new ATOM 0 HE ARG A 59 14.188 9.815 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.620 7.950 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.473 9.126 -4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.714 11.290 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.959 11.021 -2.837 1.00 0.00 H new ATOM 883 N ASN A 60 15.443 5.467 3.294 1.00 0.00 N ATOM 884 CA ASN A 60 16.613 5.009 4.039 1.00 0.00 C ATOM 885 C ASN A 60 16.710 3.486 4.035 1.00 0.00 C ATOM 886 O ASN A 60 17.775 2.918 3.787 1.00 0.00 O ATOM 887 CB ASN A 60 16.560 5.519 5.484 1.00 0.00 C ATOM 888 CG ASN A 60 17.638 4.900 6.358 1.00 0.00 C ATOM 889 OD1 ASN A 60 18.804 4.836 5.974 1.00 0.00 O ATOM 890 ND2 ASN A 60 17.258 4.445 7.541 1.00 0.00 N ATOM 0 H ASN A 60 14.759 5.972 3.857 1.00 0.00 H new ATOM 0 HA ASN A 60 17.498 5.412 3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.672 6.603 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.581 5.298 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.942 4.024 8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.281 4.516 7.825 1.00 0.00 H new ATOM 897 N ASP A 61 15.599 2.826 4.326 1.00 0.00 N ATOM 898 CA ASP A 61 15.572 1.373 4.382 1.00 0.00 C ATOM 899 C ASP A 61 15.709 0.780 2.993 1.00 0.00 C ATOM 900 O ASP A 61 16.381 -0.231 2.808 1.00 0.00 O ATOM 901 CB ASP A 61 14.294 0.882 5.062 1.00 0.00 C ATOM 902 CG ASP A 61 14.553 0.530 6.510 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.301 -0.448 6.753 1.00 0.00 O ATOM 904 OD2 ASP A 61 14.099 1.260 7.418 1.00 0.00 O ATOM 0 H ASP A 61 14.705 3.274 4.527 1.00 0.00 H new ATOM 0 HA ASP A 61 16.421 1.038 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.527 1.654 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.909 0.009 4.535 1.00 0.00 H new ATOM 909 N TYR A 62 15.177 1.485 2.004 1.00 0.00 N ATOM 910 CA TYR A 62 15.328 1.088 0.615 1.00 0.00 C ATOM 911 C TYR A 62 16.796 1.139 0.201 1.00 0.00 C ATOM 912 O TYR A 62 17.298 0.214 -0.430 1.00 0.00 O ATOM 913 CB TYR A 62 14.497 1.999 -0.291 1.00 0.00 C ATOM 914 CG TYR A 62 14.680 1.728 -1.764 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.143 0.592 -2.350 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.389 2.610 -2.570 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.306 0.339 -3.696 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.556 2.366 -3.918 1.00 0.00 C ATOM 919 CZ TYR A 62 15.013 1.228 -4.475 1.00 0.00 C ATOM 920 OH TYR A 62 15.179 0.980 -5.817 1.00 0.00 O ATOM 0 H TYR A 62 14.635 2.338 2.141 1.00 0.00 H new ATOM 0 HA TYR A 62 14.970 0.064 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.443 1.883 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.761 3.037 -0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.588 -0.107 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.816 3.501 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.882 -0.551 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.108 3.062 -4.532 1.00 0.00 H new ATOM 0 HH TYR A 62 15.700 1.705 -6.222 1.00 0.00 H new ATOM 930 N ILE A 63 17.474 2.220 0.575 1.00 0.00 N ATOM 931 CA ILE A 63 18.888 2.406 0.248 1.00 0.00 C ATOM 932 C ILE A 63 19.738 1.296 0.864 1.00 0.00 C ATOM 933 O ILE A 63 20.667 0.786 0.241 1.00 0.00 O ATOM 934 CB ILE A 63 19.409 3.784 0.735 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.728 4.936 -0.018 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.921 3.881 0.578 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.358 4.611 -1.450 1.00 0.00 C ATOM 0 H ILE A 63 17.065 2.987 1.109 1.00 0.00 H new ATOM 0 HA ILE A 63 18.974 2.366 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 63 19.160 3.871 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.826 5.224 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 63 19.392 5.800 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.261 4.856 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.399 3.098 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 63 21.186 3.758 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.882 5.478 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.258 4.353 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.667 3.768 -1.465 1.00 0.00 H new ATOM 948 N ARG A 64 19.383 0.896 2.075 1.00 0.00 N ATOM 949 CA ARG A 64 20.116 -0.151 2.774 1.00 0.00 C ATOM 950 C ARG A 64 19.702 -1.541 2.294 1.00 0.00 C ATOM 951 O ARG A 64 20.218 -2.551 2.772 1.00 0.00 O ATOM 952 CB ARG A 64 19.894 -0.030 4.280 1.00 0.00 C ATOM 953 CG ARG A 64 20.906 0.869 4.971 1.00 0.00 C ATOM 954 CD ARG A 64 20.245 1.774 5.999 1.00 0.00 C ATOM 955 NE ARG A 64 19.913 1.057 7.231 1.00 0.00 N ATOM 956 CZ ARG A 64 18.678 0.704 7.579 1.00 0.00 C ATOM 957 NH1 ARG A 64 17.652 1.035 6.810 1.00 0.00 N ATOM 958 NH2 ARG A 64 18.472 0.030 8.702 1.00 0.00 N ATOM 0 H ARG A 64 18.593 1.279 2.595 1.00 0.00 H new ATOM 0 HA ARG A 64 21.175 -0.022 2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.892 0.358 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.937 -1.023 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.664 0.256 5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 64 21.420 1.478 4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.911 2.605 6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 64 19.338 2.203 5.574 1.00 0.00 H new ATOM 0 HE ARG A 64 20.676 0.813 7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.808 1.561 5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 64 16.706 0.764 7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 64 19.260 -0.218 9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.525 -0.240 8.968 1.00 0.00 H new ATOM 972 N LEU A 65 18.766 -1.591 1.356 1.00 0.00 N ATOM 973 CA LEU A 65 18.291 -2.858 0.822 1.00 0.00 C ATOM 974 C LEU A 65 18.681 -3.008 -0.648 1.00 0.00 C ATOM 975 O LEU A 65 19.534 -3.826 -0.989 1.00 0.00 O ATOM 976 CB LEU A 65 16.770 -2.972 0.980 1.00 0.00 C ATOM 977 CG LEU A 65 16.286 -4.116 1.879 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.687 -5.464 1.296 1.00 0.00 C ATOM 979 CD2 LEU A 65 16.838 -3.960 3.288 1.00 0.00 C ATOM 0 H LEU A 65 18.321 -0.768 0.950 1.00 0.00 H new ATOM 0 HA LEU A 65 18.763 -3.661 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.392 -2.032 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.327 -3.097 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 65 15.198 -4.073 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.334 -6.262 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.242 -5.580 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.773 -5.516 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.483 -4.781 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.927 -3.974 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.499 -3.013 3.709 1.00 0.00 H new ATOM 991 N PHE A 66 18.052 -2.220 -1.511 1.00 0.00 N ATOM 992 CA PHE A 66 18.305 -2.304 -2.947 1.00 0.00 C ATOM 993 C PHE A 66 18.921 -1.015 -3.482 1.00 0.00 C ATOM 994 O PHE A 66 19.524 -1.003 -4.555 1.00 0.00 O ATOM 995 CB PHE A 66 17.006 -2.594 -3.710 1.00 0.00 C ATOM 996 CG PHE A 66 16.020 -3.441 -2.953 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.129 -4.822 -2.955 1.00 0.00 C ATOM 998 CD2 PHE A 66 14.986 -2.855 -2.239 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.226 -5.602 -2.257 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.081 -3.630 -1.542 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.201 -5.004 -1.550 1.00 0.00 C ATOM 0 H PHE A 66 17.364 -1.516 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 66 19.010 -3.121 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.531 -1.648 -3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.252 -3.093 -4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 66 16.928 -5.294 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.887 -1.780 -2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.322 -6.678 -2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.280 -3.161 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.494 -5.612 -1.004 1.00 0.00 H new ATOM 1011 N GLY A 67 18.728 0.076 -2.756 1.00 0.00 N ATOM 1012 CA GLY A 67 19.210 1.369 -3.209 1.00 0.00 C ATOM 1013 C GLY A 67 20.663 1.613 -2.858 1.00 0.00 C ATOM 1014 O GLY A 67 21.029 2.706 -2.428 1.00 0.00 O ATOM 0 H GLY A 67 18.245 0.091 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.086 1.439 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.598 2.155 -2.766 1.00 0.00 H new ATOM 1424 N GLU A 102 9.015 4.883 -6.355 1.00 0.00 N ATOM 1425 CA GLU A 102 8.742 5.700 -5.183 1.00 0.00 C ATOM 1426 C GLU A 102 7.539 6.604 -5.425 1.00 0.00 C ATOM 1427 O GLU A 102 7.079 6.743 -6.563 1.00 0.00 O ATOM 1428 CB GLU A 102 9.960 6.554 -4.826 1.00 0.00 C ATOM 1429 CG GLU A 102 10.358 7.536 -5.912 1.00 0.00 C ATOM 1430 CD GLU A 102 10.602 8.929 -5.371 1.00 0.00 C ATOM 1431 OE1 GLU A 102 9.695 9.492 -4.734 1.00 0.00 O ATOM 1432 OE2 GLU A 102 11.705 9.473 -5.586 1.00 0.00 O ATOM 0 HA GLU A 102 8.521 5.030 -4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.750 7.105 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.804 5.897 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.261 7.179 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.573 7.575 -6.668 1.00 0.00 H new ATOM 1439 N ARG A 103 7.108 7.284 -4.364 1.00 0.00 N ATOM 1440 CA ARG A 103 6.025 8.268 -4.436 1.00 0.00 C ATOM 1441 C ARG A 103 4.745 7.659 -4.997 1.00 0.00 C ATOM 1442 O ARG A 103 4.072 8.261 -5.832 1.00 0.00 O ATOM 1443 CB ARG A 103 6.442 9.478 -5.276 1.00 0.00 C ATOM 1444 CG ARG A 103 6.261 10.806 -4.559 1.00 0.00 C ATOM 1445 CD ARG A 103 6.966 11.940 -5.283 1.00 0.00 C ATOM 1446 NE ARG A 103 8.332 11.585 -5.657 1.00 0.00 N ATOM 1447 CZ ARG A 103 9.124 12.344 -6.408 1.00 0.00 C ATOM 1448 NH1 ARG A 103 8.728 13.552 -6.799 1.00 0.00 N ATOM 1449 NH2 ARG A 103 10.331 11.907 -6.739 1.00 0.00 N ATOM 0 H ARG A 103 7.499 7.169 -3.429 1.00 0.00 H new ATOM 0 HA ARG A 103 5.823 8.598 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.488 9.368 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.859 9.489 -6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.198 11.033 -4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.649 10.726 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.402 12.205 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.983 12.823 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 103 8.703 10.697 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.811 13.902 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.342 14.128 -7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.648 10.992 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.943 12.485 -7.315 1.00 0.00 H new ATOM 1463 N LEU A 104 4.395 6.480 -4.506 1.00 0.00 N ATOM 1464 CA LEU A 104 3.178 5.809 -4.938 1.00 0.00 C ATOM 1465 C LEU A 104 2.053 6.042 -3.935 1.00 0.00 C ATOM 1466 O LEU A 104 1.003 5.400 -3.999 1.00 0.00 O ATOM 1467 CB LEU A 104 3.430 4.309 -5.108 1.00 0.00 C ATOM 1468 CG LEU A 104 3.450 3.500 -3.809 1.00 0.00 C ATOM 1469 CD1 LEU A 104 2.737 2.172 -3.996 1.00 0.00 C ATOM 1470 CD2 LEU A 104 4.877 3.275 -3.345 1.00 0.00 C ATOM 0 H LEU A 104 4.936 5.968 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 104 2.878 6.226 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.659 3.899 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.384 4.173 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 104 2.923 4.068 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.762 1.611 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.701 2.352 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.236 1.598 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.872 2.698 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.427 2.728 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.359 4.237 -3.170 1.00 0.00 H new ATOM 1482 N ILE A 105 2.279 6.969 -3.009 1.00 0.00 N ATOM 1483 CA ILE A 105 1.288 7.280 -1.991 1.00 0.00 C ATOM 1484 C ILE A 105 0.146 8.093 -2.579 1.00 0.00 C ATOM 1485 O ILE A 105 0.245 9.312 -2.726 1.00 0.00 O ATOM 1486 CB ILE A 105 1.891 8.059 -0.799 1.00 0.00 C ATOM 1487 CG1 ILE A 105 3.162 7.361 -0.291 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.854 8.203 0.314 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.422 7.530 1.190 1.00 0.00 C ATOM 0 H ILE A 105 3.138 7.515 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 105 0.917 6.323 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 105 2.170 9.058 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.091 6.297 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.019 7.747 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.290 8.753 1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.013 8.744 -0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.545 7.214 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.338 7.005 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.529 8.590 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.587 7.117 1.756 1.00 0.00 H new ATOM 1500 N THR A 106 -0.962 7.428 -2.821 1.00 0.00 N ATOM 1501 CA THR A 106 -2.164 8.099 -3.246 1.00 0.00 C ATOM 1502 C THR A 106 -3.122 8.141 -2.070 1.00 0.00 C ATOM 1503 O THR A 106 -3.435 7.109 -1.494 1.00 0.00 O ATOM 1504 CB THR A 106 -2.812 7.368 -4.436 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.867 7.249 -5.507 1.00 0.00 O ATOM 1506 CG2 THR A 106 -4.054 8.098 -4.923 1.00 0.00 C ATOM 0 H THR A 106 -1.052 6.416 -2.729 1.00 0.00 H new ATOM 0 HA THR A 106 -1.923 9.110 -3.575 1.00 0.00 H new ATOM 0 HB THR A 106 -3.112 6.375 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.284 6.782 -6.261 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.488 7.557 -5.764 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.782 8.157 -4.114 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.783 9.105 -5.241 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.419 9.325 -1.586 1.00 0.00 N ATOM 1515 CA ARG A 107 -4.202 9.453 -0.375 1.00 0.00 C ATOM 1516 C ARG A 107 -5.273 10.518 -0.537 1.00 0.00 C ATOM 1517 O ARG A 107 -4.981 11.714 -0.582 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.290 9.777 0.809 1.00 0.00 C ATOM 1519 CG ARG A 107 -4.025 9.933 2.128 1.00 0.00 C ATOM 1520 CD ARG A 107 -4.044 11.385 2.576 1.00 0.00 C ATOM 1521 NE ARG A 107 -5.028 11.627 3.628 1.00 0.00 N ATOM 1522 CZ ARG A 107 -4.875 11.266 4.899 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -3.747 10.689 5.308 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -5.852 11.503 5.760 1.00 0.00 N ATOM 0 H ARG A 107 -3.133 10.209 -2.008 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.700 8.503 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.547 8.986 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.748 10.698 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.047 9.568 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.544 9.320 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.054 11.665 2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.265 12.024 1.721 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.891 12.105 3.370 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.991 10.520 4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.639 10.416 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.709 11.957 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -5.747 11.231 6.738 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.514 10.079 -0.552 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.641 10.984 -0.624 1.00 0.00 C ATOM 1540 C LEU A 108 -8.614 10.655 0.490 1.00 0.00 C ATOM 1541 O LEU A 108 -8.523 9.596 1.110 1.00 0.00 O ATOM 1542 CB LEU A 108 -8.333 10.898 -1.988 1.00 0.00 C ATOM 1543 CG LEU A 108 -7.549 11.511 -3.148 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -7.071 10.431 -4.104 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -8.401 12.528 -3.882 1.00 0.00 C ATOM 0 H LEU A 108 -6.769 9.092 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.283 12.006 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.528 9.850 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.301 11.395 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.675 12.018 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.515 10.889 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.424 9.734 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.930 9.894 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.829 12.956 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.293 12.040 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.695 13.321 -3.194 1.00 0.00 H new ATOM 1557 N GLU A 109 -9.488 11.588 0.794 1.00 0.00 N ATOM 1558 CA GLU A 109 -10.427 11.414 1.881 1.00 0.00 C ATOM 1559 C GLU A 109 -11.819 11.827 1.440 1.00 0.00 C ATOM 1560 O GLU A 109 -11.974 12.576 0.475 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.991 12.242 3.095 1.00 0.00 C ATOM 1562 CG GLU A 109 -9.347 13.574 2.735 1.00 0.00 C ATOM 1563 CD GLU A 109 -7.850 13.592 2.971 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.395 13.056 4.003 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -7.120 14.159 2.128 1.00 0.00 O ATOM 0 H GLU A 109 -9.569 12.478 0.302 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.445 10.361 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.860 12.429 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.287 11.657 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.546 13.796 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.811 14.366 3.322 1.00 0.00 H new