USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 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 25 THR OG1 : rot -19:sc= 0.152 USER MOD Set 1.2: A 28 GLN : amide:sc= -0.0189 X(o=0.13,f=-0.15) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 68:sc= 0.952 USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.06) USER MOD Single : A 39 ASN : amide:sc= -0.0678 X(o=-0.068,f=-0.018) USER MOD Single : A 40 MET CE :methyl -156:sc= -1.26 (180deg=-2.06!) USER MOD Single : A 41 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0997 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.2!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.95! USER MOD Single : A 60 GLN : amide:sc= 0.307 K(o=0.31,f=-8.1!) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.0219 (180deg=-0.209) USER MOD Single : A 66 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.21) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.14 F(o=-1.6!,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 4.032 -3.080 -8.985 1.00 0.00 N ATOM 156 CA THR A 25 3.598 -3.155 -10.365 1.00 0.00 C ATOM 157 C THR A 25 2.328 -2.335 -10.576 1.00 0.00 C ATOM 158 O THR A 25 1.575 -2.081 -9.629 1.00 0.00 O ATOM 159 CB THR A 25 3.359 -4.619 -10.776 1.00 0.00 C ATOM 160 OG1 THR A 25 3.220 -5.440 -9.604 1.00 0.00 O ATOM 161 CG2 THR A 25 4.510 -5.137 -11.628 1.00 0.00 C ATOM 0 HA THR A 25 4.387 -2.740 -10.993 1.00 0.00 H new ATOM 0 HB THR A 25 2.442 -4.664 -11.364 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.601 -4.974 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.319 -6.173 -11.906 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.598 -4.530 -12.529 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.438 -5.079 -11.059 1.00 0.00 H new ATOM 169 N LYS A 26 2.095 -1.916 -11.813 1.00 0.00 N ATOM 170 CA LYS A 26 0.919 -1.123 -12.144 1.00 0.00 C ATOM 171 C LYS A 26 -0.349 -1.915 -11.873 1.00 0.00 C ATOM 172 O LYS A 26 -1.306 -1.391 -11.304 1.00 0.00 O ATOM 173 CB LYS A 26 0.967 -0.672 -13.605 1.00 0.00 C ATOM 174 CG LYS A 26 1.988 0.422 -13.857 1.00 0.00 C ATOM 175 CD LYS A 26 1.667 1.670 -13.053 1.00 0.00 C ATOM 176 CE LYS A 26 2.906 2.517 -12.823 1.00 0.00 C ATOM 177 NZ LYS A 26 2.597 3.761 -12.072 1.00 0.00 N ATOM 0 H LYS A 26 2.707 -2.113 -12.605 1.00 0.00 H new ATOM 0 HA LYS A 26 0.914 -0.235 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.199 -1.530 -14.236 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.019 -0.315 -13.902 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.983 0.062 -13.593 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.009 0.666 -14.919 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.915 2.259 -13.578 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.236 1.385 -12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.646 1.936 -12.273 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.353 2.775 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.470 4.310 -11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.910 4.329 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.194 3.516 -11.145 1.00 0.00 H new ATOM 191 N TYR A 27 -0.337 -3.184 -12.256 1.00 0.00 N ATOM 192 CA TYR A 27 -1.481 -4.060 -12.041 1.00 0.00 C ATOM 193 C TYR A 27 -1.721 -4.240 -10.548 1.00 0.00 C ATOM 194 O TYR A 27 -2.860 -4.294 -10.091 1.00 0.00 O ATOM 195 CB TYR A 27 -1.247 -5.419 -12.707 1.00 0.00 C ATOM 196 CG TYR A 27 -2.520 -6.175 -13.016 1.00 0.00 C ATOM 197 CD1 TYR A 27 -3.291 -5.846 -14.122 1.00 0.00 C ATOM 198 CD2 TYR A 27 -2.947 -7.219 -12.205 1.00 0.00 C ATOM 199 CE1 TYR A 27 -4.452 -6.534 -14.414 1.00 0.00 C ATOM 200 CE2 TYR A 27 -4.109 -7.913 -12.490 1.00 0.00 C ATOM 201 CZ TYR A 27 -4.857 -7.567 -13.595 1.00 0.00 C ATOM 202 OH TYR A 27 -6.013 -8.259 -13.887 1.00 0.00 O ATOM 0 H TYR A 27 0.454 -3.631 -12.719 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.363 -3.603 -12.491 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.691 -5.269 -13.632 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.622 -6.030 -12.055 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.977 -5.038 -14.766 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.363 -7.493 -11.339 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.040 -6.265 -15.279 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.429 -8.722 -11.850 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.156 -8.956 -13.213 1.00 0.00 H new ATOM 212 N GLN A 28 -0.629 -4.307 -9.793 1.00 0.00 N ATOM 213 CA GLN A 28 -0.708 -4.459 -8.349 1.00 0.00 C ATOM 214 C GLN A 28 -1.344 -3.216 -7.743 1.00 0.00 C ATOM 215 O GLN A 28 -2.168 -3.303 -6.833 1.00 0.00 O ATOM 216 CB GLN A 28 0.689 -4.677 -7.769 1.00 0.00 C ATOM 217 CG GLN A 28 0.691 -5.257 -6.366 1.00 0.00 C ATOM 218 CD GLN A 28 2.070 -5.718 -5.937 1.00 0.00 C ATOM 219 OE1 GLN A 28 3.080 -5.135 -6.326 1.00 0.00 O ATOM 220 NE2 GLN A 28 2.126 -6.766 -5.130 1.00 0.00 N ATOM 0 H GLN A 28 0.321 -4.258 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.322 -5.327 -8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.245 -5.344 -8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.220 -3.725 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.326 -4.507 -5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.001 -6.098 -6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.266 -7.224 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.029 -7.116 -4.810 1.00 0.00 H new ATOM 229 N THR A 29 -0.964 -2.061 -8.277 1.00 0.00 N ATOM 230 CA THR A 29 -1.495 -0.789 -7.816 1.00 0.00 C ATOM 231 C THR A 29 -2.980 -0.679 -8.161 1.00 0.00 C ATOM 232 O THR A 29 -3.796 -0.309 -7.322 1.00 0.00 O ATOM 233 CB THR A 29 -0.739 0.401 -8.451 1.00 0.00 C ATOM 234 OG1 THR A 29 0.677 0.174 -8.399 1.00 0.00 O ATOM 235 CG2 THR A 29 -1.069 1.702 -7.732 1.00 0.00 C ATOM 0 H THR A 29 -0.285 -1.982 -9.034 1.00 0.00 H new ATOM 0 HA THR A 29 -1.362 -0.751 -6.735 1.00 0.00 H new ATOM 0 HB THR A 29 -1.057 0.484 -9.490 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.912 -0.566 -8.997 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.525 2.523 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.140 1.893 -7.798 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.779 1.622 -6.684 1.00 0.00 H new ATOM 243 N LEU A 30 -3.321 -1.031 -9.399 1.00 0.00 N ATOM 244 CA LEU A 30 -4.699 -0.967 -9.868 1.00 0.00 C ATOM 245 C LEU A 30 -5.595 -1.923 -9.094 1.00 0.00 C ATOM 246 O LEU A 30 -6.749 -1.601 -8.802 1.00 0.00 O ATOM 247 CB LEU A 30 -4.771 -1.271 -11.366 1.00 0.00 C ATOM 248 CG LEU A 30 -4.208 -0.178 -12.274 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.311 -0.590 -13.729 1.00 0.00 C ATOM 250 CD2 LEU A 30 -4.935 1.138 -12.042 1.00 0.00 C ATOM 0 H LEU A 30 -2.656 -1.365 -10.097 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.060 0.047 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.231 -2.198 -11.560 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.812 -1.447 -11.636 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.155 -0.038 -12.028 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.905 0.200 -14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.745 -1.508 -13.888 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.357 -0.759 -13.986 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.520 1.904 -12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.996 1.011 -12.259 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.811 1.444 -11.003 1.00 0.00 H new ATOM 262 N GLU A 31 -5.071 -3.100 -8.766 1.00 0.00 N ATOM 263 CA GLU A 31 -5.838 -4.081 -8.012 1.00 0.00 C ATOM 264 C GLU A 31 -6.094 -3.568 -6.602 1.00 0.00 C ATOM 265 O GLU A 31 -7.232 -3.569 -6.136 1.00 0.00 O ATOM 266 CB GLU A 31 -5.121 -5.434 -7.965 1.00 0.00 C ATOM 267 CG GLU A 31 -5.900 -6.493 -7.196 1.00 0.00 C ATOM 268 CD GLU A 31 -5.527 -7.906 -7.586 1.00 0.00 C ATOM 269 OE1 GLU A 31 -5.959 -8.363 -8.663 1.00 0.00 O ATOM 270 OE2 GLU A 31 -4.823 -8.580 -6.808 1.00 0.00 O ATOM 0 H GLU A 31 -4.125 -3.395 -9.009 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.792 -4.228 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.950 -5.784 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.142 -5.304 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.726 -6.359 -6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.967 -6.345 -7.366 1.00 0.00 H new ATOM 277 N LEU A 32 -5.035 -3.112 -5.934 1.00 0.00 N ATOM 278 CA LEU A 32 -5.153 -2.580 -4.581 1.00 0.00 C ATOM 279 C LEU A 32 -6.091 -1.378 -4.569 1.00 0.00 C ATOM 280 O LEU A 32 -6.906 -1.227 -3.664 1.00 0.00 O ATOM 281 CB LEU A 32 -3.778 -2.189 -4.038 1.00 0.00 C ATOM 282 CG LEU A 32 -2.914 -3.364 -3.576 1.00 0.00 C ATOM 283 CD1 LEU A 32 -1.514 -2.891 -3.228 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.549 -4.063 -2.384 1.00 0.00 C ATOM 0 H LEU A 32 -4.087 -3.101 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.569 -3.355 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.239 -1.642 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.915 -1.505 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.845 -4.079 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.914 -3.740 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.054 -2.438 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.568 -2.155 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.918 -4.895 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.652 -3.357 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.533 -4.439 -2.664 1.00 0.00 H new ATOM 296 N GLU A 33 -5.978 -0.543 -5.594 1.00 0.00 N ATOM 297 CA GLU A 33 -6.822 0.632 -5.737 1.00 0.00 C ATOM 298 C GLU A 33 -8.278 0.201 -5.839 1.00 0.00 C ATOM 299 O GLU A 33 -9.152 0.726 -5.152 1.00 0.00 O ATOM 300 CB GLU A 33 -6.413 1.388 -7.000 1.00 0.00 C ATOM 301 CG GLU A 33 -5.958 2.815 -6.762 1.00 0.00 C ATOM 302 CD GLU A 33 -7.110 3.777 -6.562 1.00 0.00 C ATOM 303 OE1 GLU A 33 -7.647 4.288 -7.571 1.00 0.00 O ATOM 304 OE2 GLU A 33 -7.477 4.038 -5.401 1.00 0.00 O ATOM 0 H GLU A 33 -5.300 -0.662 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.704 1.282 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.608 0.841 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.257 1.400 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.312 2.843 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.359 3.146 -7.610 1.00 0.00 H new ATOM 311 N LYS A 34 -8.514 -0.768 -6.713 1.00 0.00 N ATOM 312 CA LYS A 34 -9.844 -1.323 -6.933 1.00 0.00 C ATOM 313 C LYS A 34 -10.430 -1.878 -5.640 1.00 0.00 C ATOM 314 O LYS A 34 -11.561 -1.557 -5.272 1.00 0.00 O ATOM 315 CB LYS A 34 -9.767 -2.431 -7.985 1.00 0.00 C ATOM 316 CG LYS A 34 -10.992 -3.332 -8.041 1.00 0.00 C ATOM 317 CD LYS A 34 -10.789 -4.477 -9.021 1.00 0.00 C ATOM 318 CE LYS A 34 -9.708 -5.440 -8.549 1.00 0.00 C ATOM 319 NZ LYS A 34 -10.235 -6.437 -7.577 1.00 0.00 N ATOM 0 H LYS A 34 -7.788 -1.192 -7.291 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.497 -0.524 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.621 -1.976 -8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.889 -3.045 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.198 -3.732 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.863 -2.747 -8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.727 -5.017 -9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.517 -4.076 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.285 -5.960 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.897 -4.877 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.452 -7.018 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.691 -5.942 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.931 -7.048 -8.050 1.00 0.00 H new ATOM 333 N GLU A 35 -9.646 -2.699 -4.951 1.00 0.00 N ATOM 334 CA GLU A 35 -10.088 -3.314 -3.707 1.00 0.00 C ATOM 335 C GLU A 35 -10.370 -2.260 -2.641 1.00 0.00 C ATOM 336 O GLU A 35 -11.296 -2.408 -1.851 1.00 0.00 O ATOM 337 CB GLU A 35 -9.048 -4.313 -3.191 1.00 0.00 C ATOM 338 CG GLU A 35 -8.753 -5.453 -4.159 1.00 0.00 C ATOM 339 CD GLU A 35 -9.942 -6.367 -4.393 1.00 0.00 C ATOM 340 OE1 GLU A 35 -10.929 -5.924 -5.017 1.00 0.00 O ATOM 341 OE2 GLU A 35 -9.874 -7.552 -3.997 1.00 0.00 O ATOM 0 H GLU A 35 -8.700 -2.954 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.014 -3.849 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.121 -3.780 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.398 -4.732 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.431 -5.036 -5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.922 -6.042 -3.772 1.00 0.00 H new ATOM 348 N PHE A 36 -9.576 -1.197 -2.634 1.00 0.00 N ATOM 349 CA PHE A 36 -9.741 -0.121 -1.666 1.00 0.00 C ATOM 350 C PHE A 36 -10.986 0.708 -1.975 1.00 0.00 C ATOM 351 O PHE A 36 -11.714 1.117 -1.071 1.00 0.00 O ATOM 352 CB PHE A 36 -8.496 0.769 -1.663 1.00 0.00 C ATOM 353 CG PHE A 36 -8.577 1.935 -0.722 1.00 0.00 C ATOM 354 CD1 PHE A 36 -8.688 1.738 0.644 1.00 0.00 C ATOM 355 CD2 PHE A 36 -8.536 3.231 -1.206 1.00 0.00 C ATOM 356 CE1 PHE A 36 -8.753 2.812 1.512 1.00 0.00 C ATOM 357 CE2 PHE A 36 -8.603 4.311 -0.343 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.710 4.100 1.017 1.00 0.00 C ATOM 0 H PHE A 36 -8.808 -1.057 -3.291 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.869 -0.562 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.630 0.162 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.327 1.142 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.724 0.732 1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.451 3.401 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.837 2.644 2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.572 5.318 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.760 4.941 1.693 1.00 0.00 H new ATOM 368 N LEU A 37 -11.230 0.954 -3.255 1.00 0.00 N ATOM 369 CA LEU A 37 -12.391 1.730 -3.671 1.00 0.00 C ATOM 370 C LEU A 37 -13.676 0.945 -3.450 1.00 0.00 C ATOM 371 O LEU A 37 -14.716 1.509 -3.100 1.00 0.00 O ATOM 372 CB LEU A 37 -12.269 2.130 -5.141 1.00 0.00 C ATOM 373 CG LEU A 37 -11.323 3.299 -5.425 1.00 0.00 C ATOM 374 CD1 LEU A 37 -11.369 3.673 -6.898 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.680 4.500 -4.563 1.00 0.00 C ATOM 0 H LEU A 37 -10.641 0.629 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.428 2.633 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.930 1.264 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.260 2.388 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.309 2.987 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.691 4.506 -7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.065 2.817 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.384 3.965 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.996 5.320 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.701 4.813 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.599 4.229 -3.510 1.00 0.00 H new ATOM 387 N PHE A 38 -13.597 -0.356 -3.663 1.00 0.00 N ATOM 388 CA PHE A 38 -14.738 -1.241 -3.487 1.00 0.00 C ATOM 389 C PHE A 38 -14.978 -1.513 -2.011 1.00 0.00 C ATOM 390 O PHE A 38 -16.111 -1.471 -1.527 1.00 0.00 O ATOM 391 CB PHE A 38 -14.480 -2.557 -4.216 1.00 0.00 C ATOM 392 CG PHE A 38 -15.673 -3.085 -4.962 1.00 0.00 C ATOM 393 CD1 PHE A 38 -16.579 -3.931 -4.343 1.00 0.00 C ATOM 394 CD2 PHE A 38 -15.888 -2.732 -6.287 1.00 0.00 C ATOM 395 CE1 PHE A 38 -17.676 -4.416 -5.029 1.00 0.00 C ATOM 396 CE2 PHE A 38 -16.983 -3.215 -6.977 1.00 0.00 C ATOM 397 CZ PHE A 38 -17.879 -4.058 -6.348 1.00 0.00 C ATOM 0 H PHE A 38 -12.744 -0.829 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.624 -0.759 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.658 -2.417 -4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.157 -3.305 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.426 -4.215 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.192 -2.073 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.375 -5.075 -4.534 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.139 -2.934 -8.008 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.736 -4.436 -6.886 1.00 0.00 H new ATOM 407 N ASN A 39 -13.893 -1.791 -1.310 1.00 0.00 N ATOM 408 CA ASN A 39 -13.933 -2.080 0.114 1.00 0.00 C ATOM 409 C ASN A 39 -12.937 -1.191 0.836 1.00 0.00 C ATOM 410 O ASN A 39 -11.771 -1.549 0.986 1.00 0.00 O ATOM 411 CB ASN A 39 -13.596 -3.552 0.399 1.00 0.00 C ATOM 412 CG ASN A 39 -14.036 -4.502 -0.701 1.00 0.00 C ATOM 413 OD1 ASN A 39 -15.146 -5.036 -0.675 1.00 0.00 O ATOM 414 ND2 ASN A 39 -13.157 -4.727 -1.669 1.00 0.00 N ATOM 0 H ASN A 39 -12.956 -1.823 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.945 -1.886 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.520 -3.648 0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.069 -3.849 1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.390 -5.364 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.249 -4.263 -1.651 1.00 0.00 H new ATOM 421 N MET A 40 -13.403 -0.026 1.261 1.00 0.00 N ATOM 422 CA MET A 40 -12.568 0.930 1.974 1.00 0.00 C ATOM 423 C MET A 40 -11.935 0.284 3.202 1.00 0.00 C ATOM 424 O MET A 40 -10.798 0.591 3.568 1.00 0.00 O ATOM 425 CB MET A 40 -13.403 2.139 2.384 1.00 0.00 C ATOM 426 CG MET A 40 -13.786 3.037 1.221 1.00 0.00 C ATOM 427 SD MET A 40 -12.429 4.098 0.691 1.00 0.00 S ATOM 428 CE MET A 40 -12.910 4.439 -0.997 1.00 0.00 C ATOM 0 H MET A 40 -14.365 0.282 1.123 1.00 0.00 H new ATOM 0 HA MET A 40 -11.767 1.257 1.311 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.310 1.792 2.878 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.845 2.724 3.115 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.110 2.421 0.382 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.636 3.656 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 40 -12.028 4.701 -1.581 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.381 3.555 -1.427 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.615 5.270 -1.014 1.00 0.00 H new ATOM 438 N TYR A 41 -12.681 -0.607 3.836 1.00 0.00 N ATOM 439 CA TYR A 41 -12.195 -1.320 5.000 1.00 0.00 C ATOM 440 C TYR A 41 -12.491 -2.798 4.856 1.00 0.00 C ATOM 441 O TYR A 41 -13.423 -3.194 4.151 1.00 0.00 O ATOM 442 CB TYR A 41 -12.823 -0.766 6.278 1.00 0.00 C ATOM 443 CG TYR A 41 -12.369 -1.440 7.558 1.00 0.00 C ATOM 444 CD1 TYR A 41 -11.107 -1.195 8.081 1.00 0.00 C ATOM 445 CD2 TYR A 41 -13.204 -2.315 8.244 1.00 0.00 C ATOM 446 CE1 TYR A 41 -10.686 -1.798 9.250 1.00 0.00 C ATOM 447 CE2 TYR A 41 -12.791 -2.925 9.414 1.00 0.00 C ATOM 448 CZ TYR A 41 -11.530 -2.664 9.913 1.00 0.00 C ATOM 449 OH TYR A 41 -11.111 -3.268 11.080 1.00 0.00 O ATOM 0 H TYR A 41 -13.631 -0.853 3.559 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.116 -1.181 5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.596 0.298 6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.907 -0.857 6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.441 -0.520 7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.191 -2.521 7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.701 -1.592 9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.451 -3.602 9.935 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.823 -3.847 11.423 1.00 0.00 H new ATOM 459 N LEU A 42 -11.693 -3.600 5.527 1.00 0.00 N ATOM 460 CA LEU A 42 -11.827 -5.034 5.491 1.00 0.00 C ATOM 461 C LEU A 42 -11.424 -5.618 6.830 1.00 0.00 C ATOM 462 O LEU A 42 -10.783 -4.952 7.644 1.00 0.00 O ATOM 463 CB LEU A 42 -10.935 -5.626 4.402 1.00 0.00 C ATOM 464 CG LEU A 42 -11.388 -5.385 2.961 1.00 0.00 C ATOM 465 CD1 LEU A 42 -10.285 -5.759 1.984 1.00 0.00 C ATOM 466 CD2 LEU A 42 -12.651 -6.175 2.662 1.00 0.00 C ATOM 0 H LEU A 42 -10.929 -3.270 6.116 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.867 -5.279 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.931 -5.217 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.862 -6.701 4.564 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.607 -4.324 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.626 -5.581 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.402 -5.152 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.035 -6.813 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.960 -5.992 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.456 -7.239 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.445 -5.862 3.340 1.00 0.00 H new ATOM 478 N THR A 43 -11.785 -6.862 7.035 1.00 0.00 N ATOM 479 CA THR A 43 -11.467 -7.570 8.263 1.00 0.00 C ATOM 480 C THR A 43 -10.060 -8.150 8.181 1.00 0.00 C ATOM 481 O THR A 43 -9.430 -8.093 7.125 1.00 0.00 O ATOM 482 CB THR A 43 -12.484 -8.694 8.518 1.00 0.00 C ATOM 483 OG1 THR A 43 -12.972 -9.195 7.265 1.00 0.00 O ATOM 484 CG2 THR A 43 -13.647 -8.187 9.356 1.00 0.00 C ATOM 0 H THR A 43 -12.308 -7.417 6.358 1.00 0.00 H new ATOM 0 HA THR A 43 -11.515 -6.864 9.092 1.00 0.00 H new ATOM 0 HB THR A 43 -11.987 -9.496 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.619 -9.913 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.355 -8.998 9.525 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.274 -7.825 10.314 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.147 -7.373 8.831 1.00 0.00 H new ATOM 492 N ARG A 44 -9.566 -8.710 9.279 1.00 0.00 N ATOM 493 CA ARG A 44 -8.223 -9.284 9.302 1.00 0.00 C ATOM 494 C ARG A 44 -8.102 -10.455 8.332 1.00 0.00 C ATOM 495 O ARG A 44 -7.147 -10.538 7.560 1.00 0.00 O ATOM 496 CB ARG A 44 -7.853 -9.740 10.715 1.00 0.00 C ATOM 497 CG ARG A 44 -7.028 -8.723 11.485 1.00 0.00 C ATOM 498 CD ARG A 44 -7.904 -7.637 12.086 1.00 0.00 C ATOM 499 NE ARG A 44 -7.314 -6.307 11.945 1.00 0.00 N ATOM 500 CZ ARG A 44 -8.026 -5.201 11.724 1.00 0.00 C ATOM 501 NH1 ARG A 44 -9.345 -5.277 11.600 1.00 0.00 N ATOM 502 NH2 ARG A 44 -7.417 -4.026 11.611 1.00 0.00 N ATOM 0 H ARG A 44 -10.071 -8.780 10.162 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.530 -8.504 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.767 -9.950 11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.296 -10.675 10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.475 -9.227 12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.292 -8.272 10.820 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.881 -7.652 11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.068 -7.849 13.142 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.300 -6.220 12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.813 -6.180 11.674 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.891 -4.432 11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.402 -3.968 11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.964 -3.182 11.442 1.00 0.00 H new ATOM 516 N ASP A 45 -9.084 -11.344 8.362 1.00 0.00 N ATOM 517 CA ASP A 45 -9.086 -12.519 7.493 1.00 0.00 C ATOM 518 C ASP A 45 -9.211 -12.134 6.031 1.00 0.00 C ATOM 519 O ASP A 45 -8.450 -12.609 5.188 1.00 0.00 O ATOM 520 CB ASP A 45 -10.221 -13.463 7.872 1.00 0.00 C ATOM 521 CG ASP A 45 -10.139 -14.779 7.130 1.00 0.00 C ATOM 522 OD1 ASP A 45 -9.433 -15.694 7.612 1.00 0.00 O ATOM 523 OD2 ASP A 45 -10.764 -14.901 6.059 1.00 0.00 O ATOM 0 H ASP A 45 -9.893 -11.276 8.979 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.131 -13.026 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.193 -13.650 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.177 -12.985 7.657 1.00 0.00 H new ATOM 528 N ARG A 46 -10.171 -11.277 5.740 1.00 0.00 N ATOM 529 CA ARG A 46 -10.399 -10.827 4.375 1.00 0.00 C ATOM 530 C ARG A 46 -9.180 -10.089 3.837 1.00 0.00 C ATOM 531 O ARG A 46 -8.792 -10.287 2.689 1.00 0.00 O ATOM 532 CB ARG A 46 -11.639 -9.939 4.299 1.00 0.00 C ATOM 533 CG ARG A 46 -12.099 -9.672 2.875 1.00 0.00 C ATOM 534 CD ARG A 46 -12.403 -10.965 2.132 1.00 0.00 C ATOM 535 NE ARG A 46 -12.223 -10.818 0.692 1.00 0.00 N ATOM 536 CZ ARG A 46 -11.928 -11.827 -0.127 1.00 0.00 C ATOM 537 NH1 ARG A 46 -11.801 -13.061 0.345 1.00 0.00 N ATOM 538 NH2 ARG A 46 -11.754 -11.606 -1.423 1.00 0.00 N ATOM 0 H ARG A 46 -10.807 -10.877 6.429 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.567 -11.706 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.450 -10.411 4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.428 -8.989 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.989 -9.043 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.327 -9.118 2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.752 -11.758 2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.428 -11.272 2.341 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.329 -9.888 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.929 -13.242 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.575 -13.828 -0.288 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.846 -10.661 -1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.528 -12.381 -2.047 1.00 0.00 H new ATOM 552 N ARG A 47 -8.570 -9.252 4.670 1.00 0.00 N ATOM 553 CA ARG A 47 -7.380 -8.508 4.263 1.00 0.00 C ATOM 554 C ARG A 47 -6.237 -9.476 3.986 1.00 0.00 C ATOM 555 O ARG A 47 -5.514 -9.332 3.002 1.00 0.00 O ATOM 556 CB ARG A 47 -6.965 -7.512 5.348 1.00 0.00 C ATOM 557 CG ARG A 47 -5.979 -6.457 4.866 1.00 0.00 C ATOM 558 CD ARG A 47 -6.649 -5.099 4.728 1.00 0.00 C ATOM 559 NE ARG A 47 -7.051 -4.558 6.025 1.00 0.00 N ATOM 560 CZ ARG A 47 -7.404 -3.292 6.237 1.00 0.00 C ATOM 561 NH1 ARG A 47 -7.427 -2.422 5.233 1.00 0.00 N ATOM 562 NH2 ARG A 47 -7.737 -2.904 7.462 1.00 0.00 N ATOM 0 H ARG A 47 -8.877 -9.071 5.626 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.613 -7.952 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.856 -7.015 5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.521 -8.059 6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.148 -6.385 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.561 -6.758 3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.965 -4.404 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.524 -5.189 4.085 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.062 -5.194 6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.173 -2.722 4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.699 -1.454 5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.721 -3.574 8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.009 -1.936 7.634 1.00 0.00 H new ATOM 576 N TYR A 48 -6.094 -10.468 4.859 1.00 0.00 N ATOM 577 CA TYR A 48 -5.056 -11.480 4.718 1.00 0.00 C ATOM 578 C TYR A 48 -5.254 -12.259 3.424 1.00 0.00 C ATOM 579 O TYR A 48 -4.296 -12.542 2.703 1.00 0.00 O ATOM 580 CB TYR A 48 -5.093 -12.429 5.922 1.00 0.00 C ATOM 581 CG TYR A 48 -4.046 -13.522 5.906 1.00 0.00 C ATOM 582 CD1 TYR A 48 -2.710 -13.238 6.143 1.00 0.00 C ATOM 583 CD2 TYR A 48 -4.400 -14.843 5.665 1.00 0.00 C ATOM 584 CE1 TYR A 48 -1.754 -14.238 6.138 1.00 0.00 C ATOM 585 CE2 TYR A 48 -3.452 -15.847 5.660 1.00 0.00 C ATOM 586 CZ TYR A 48 -2.131 -15.540 5.896 1.00 0.00 C ATOM 587 OH TYR A 48 -1.183 -16.535 5.898 1.00 0.00 O ATOM 0 H TYR A 48 -6.690 -10.592 5.678 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.083 -10.991 4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.970 -11.842 6.832 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.079 -12.891 5.971 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.410 -12.218 6.335 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.435 -15.089 5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.717 -13.999 6.323 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.746 -16.869 5.472 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.612 -17.396 5.712 1.00 0.00 H new ATOM 597 N GLU A 49 -6.508 -12.580 3.127 1.00 0.00 N ATOM 598 CA GLU A 49 -6.841 -13.317 1.915 1.00 0.00 C ATOM 599 C GLU A 49 -6.595 -12.460 0.685 1.00 0.00 C ATOM 600 O GLU A 49 -5.892 -12.874 -0.228 1.00 0.00 O ATOM 601 CB GLU A 49 -8.301 -13.771 1.948 1.00 0.00 C ATOM 602 CG GLU A 49 -8.622 -14.879 0.956 1.00 0.00 C ATOM 603 CD GLU A 49 -7.900 -16.176 1.266 1.00 0.00 C ATOM 604 OE1 GLU A 49 -8.222 -16.809 2.292 1.00 0.00 O ATOM 605 OE2 GLU A 49 -7.012 -16.575 0.484 1.00 0.00 O ATOM 0 H GLU A 49 -7.311 -12.341 3.709 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.199 -14.197 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.542 -14.115 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.943 -12.914 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.697 -15.059 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.353 -14.550 -0.048 1.00 0.00 H new ATOM 612 N VAL A 50 -7.151 -11.257 0.683 1.00 0.00 N ATOM 613 CA VAL A 50 -6.991 -10.332 -0.439 1.00 0.00 C ATOM 614 C VAL A 50 -5.513 -10.104 -0.741 1.00 0.00 C ATOM 615 O VAL A 50 -5.097 -10.090 -1.904 1.00 0.00 O ATOM 616 CB VAL A 50 -7.683 -8.977 -0.149 1.00 0.00 C ATOM 617 CG1 VAL A 50 -7.223 -7.899 -1.119 1.00 0.00 C ATOM 618 CG2 VAL A 50 -9.195 -9.130 -0.211 1.00 0.00 C ATOM 0 H VAL A 50 -7.720 -10.894 1.448 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.466 -10.783 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.398 -8.667 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.728 -6.961 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.145 -7.763 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.465 -8.199 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.667 -8.169 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.486 -9.471 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.518 -9.859 0.532 1.00 0.00 H new ATOM 628 N ALA A 51 -4.719 -9.951 0.313 1.00 0.00 N ATOM 629 CA ALA A 51 -3.288 -9.746 0.163 1.00 0.00 C ATOM 630 C ALA A 51 -2.624 -10.997 -0.401 1.00 0.00 C ATOM 631 O ALA A 51 -1.749 -10.917 -1.267 1.00 0.00 O ATOM 632 CB ALA A 51 -2.673 -9.384 1.503 1.00 0.00 C ATOM 0 H ALA A 51 -5.045 -9.965 1.280 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.125 -8.925 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.600 -9.232 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.129 -8.468 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.847 -10.192 2.213 1.00 0.00 H new ATOM 638 N ARG A 52 -3.075 -12.149 0.083 1.00 0.00 N ATOM 639 CA ARG A 52 -2.552 -13.443 -0.326 1.00 0.00 C ATOM 640 C ARG A 52 -2.874 -13.723 -1.789 1.00 0.00 C ATOM 641 O ARG A 52 -2.019 -14.178 -2.552 1.00 0.00 O ATOM 642 CB ARG A 52 -3.184 -14.510 0.553 1.00 0.00 C ATOM 643 CG ARG A 52 -2.256 -15.639 0.952 1.00 0.00 C ATOM 644 CD ARG A 52 -2.882 -16.471 2.054 1.00 0.00 C ATOM 645 NE ARG A 52 -2.057 -17.614 2.424 1.00 0.00 N ATOM 646 CZ ARG A 52 -2.484 -18.621 3.174 1.00 0.00 C ATOM 647 NH1 ARG A 52 -3.728 -18.631 3.637 1.00 0.00 N ATOM 648 NH2 ARG A 52 -1.662 -19.616 3.467 1.00 0.00 N ATOM 0 H ARG A 52 -3.821 -12.209 0.776 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.468 -13.447 -0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.566 -14.036 1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.041 -14.932 0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.045 -16.268 0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.303 -15.233 1.291 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.044 -15.844 2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.861 -16.823 1.728 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.095 -17.641 2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.360 -17.862 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.051 -19.408 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.704 -19.606 3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.986 -20.392 4.044 1.00 0.00 H new ATOM 662 N VAL A 53 -4.118 -13.450 -2.165 1.00 0.00 N ATOM 663 CA VAL A 53 -4.586 -13.663 -3.534 1.00 0.00 C ATOM 664 C VAL A 53 -3.807 -12.795 -4.526 1.00 0.00 C ATOM 665 O VAL A 53 -3.750 -13.092 -5.721 1.00 0.00 O ATOM 666 CB VAL A 53 -6.104 -13.369 -3.666 1.00 0.00 C ATOM 667 CG1 VAL A 53 -6.599 -13.623 -5.081 1.00 0.00 C ATOM 668 CG2 VAL A 53 -6.903 -14.206 -2.679 1.00 0.00 C ATOM 0 H VAL A 53 -4.829 -13.077 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.412 -14.713 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.252 -12.314 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.666 -13.407 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.061 -12.978 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.425 -14.666 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.964 -13.984 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.731 -15.264 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.587 -13.971 -1.663 1.00 0.00 H new ATOM 678 N LEU A 54 -3.182 -11.734 -4.030 1.00 0.00 N ATOM 679 CA LEU A 54 -2.436 -10.849 -4.870 1.00 0.00 C ATOM 680 C LEU A 54 -0.950 -11.231 -4.834 1.00 0.00 C ATOM 681 O LEU A 54 -0.473 -11.942 -5.720 1.00 0.00 O ATOM 682 CB LEU A 54 -2.703 -9.408 -4.410 1.00 0.00 C ATOM 683 CG LEU A 54 -1.547 -8.437 -4.548 1.00 0.00 C ATOM 684 CD1 LEU A 54 -1.269 -8.124 -6.011 1.00 0.00 C ATOM 685 CD2 LEU A 54 -1.817 -7.165 -3.764 1.00 0.00 C ATOM 0 H LEU A 54 -3.186 -11.478 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.748 -10.930 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.548 -9.018 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.007 -9.433 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.657 -8.910 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.435 -7.425 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.017 -9.044 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.155 -7.678 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.975 -6.482 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.722 -6.690 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.948 -7.408 -2.710 1.00 0.00 H new ATOM 697 N ASN A 55 -0.246 -10.803 -3.783 1.00 0.00 N ATOM 698 CA ASN A 55 1.186 -11.078 -3.619 1.00 0.00 C ATOM 699 C ASN A 55 1.752 -10.253 -2.466 1.00 0.00 C ATOM 700 O ASN A 55 2.942 -9.944 -2.435 1.00 0.00 O ATOM 701 CB ASN A 55 1.953 -10.731 -4.901 1.00 0.00 C ATOM 702 CG ASN A 55 3.313 -11.401 -4.980 1.00 0.00 C ATOM 703 OD1 ASN A 55 3.511 -12.502 -4.462 1.00 0.00 O ATOM 704 ND2 ASN A 55 4.261 -10.743 -5.633 1.00 0.00 N ATOM 0 H ASN A 55 -0.651 -10.257 -3.022 1.00 0.00 H new ATOM 0 HA ASN A 55 1.303 -12.140 -3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.358 -11.027 -5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.083 -9.650 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.194 -11.146 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.057 -9.834 -6.048 1.00 0.00 H new ATOM 711 N LEU A 56 0.901 -9.897 -1.511 1.00 0.00 N ATOM 712 CA LEU A 56 1.343 -9.088 -0.380 1.00 0.00 C ATOM 713 C LEU A 56 0.840 -9.657 0.932 1.00 0.00 C ATOM 714 O LEU A 56 0.158 -10.676 0.957 1.00 0.00 O ATOM 715 CB LEU A 56 0.859 -7.642 -0.526 1.00 0.00 C ATOM 716 CG LEU A 56 1.523 -6.835 -1.646 1.00 0.00 C ATOM 717 CD1 LEU A 56 0.911 -5.448 -1.731 1.00 0.00 C ATOM 718 CD2 LEU A 56 3.026 -6.738 -1.425 1.00 0.00 C ATOM 0 H LEU A 56 -0.087 -10.151 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 56 2.433 -9.104 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.217 -7.653 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.025 -7.124 0.419 1.00 0.00 H new ATOM 0 HG LEU A 56 1.350 -7.353 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.393 -4.886 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.156 -5.533 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.056 -4.928 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.476 -6.161 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.223 -6.245 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.457 -7.739 -1.411 1.00 0.00 H new ATOM 730 N THR A 57 1.189 -8.993 2.021 1.00 0.00 N ATOM 731 CA THR A 57 0.764 -9.411 3.340 1.00 0.00 C ATOM 732 C THR A 57 -0.263 -8.425 3.887 1.00 0.00 C ATOM 733 O THR A 57 -0.565 -7.415 3.242 1.00 0.00 O ATOM 734 CB THR A 57 1.958 -9.491 4.308 1.00 0.00 C ATOM 735 OG1 THR A 57 2.561 -8.198 4.441 1.00 0.00 O ATOM 736 CG2 THR A 57 2.997 -10.488 3.813 1.00 0.00 C ATOM 0 H THR A 57 1.771 -8.155 2.013 1.00 0.00 H new ATOM 0 HA THR A 57 0.319 -10.403 3.254 1.00 0.00 H new ATOM 0 HB THR A 57 1.590 -9.828 5.277 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.319 -8.253 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.830 -10.525 4.515 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.544 -11.476 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.362 -10.177 2.834 1.00 0.00 H new ATOM 744 N GLU A 58 -0.783 -8.706 5.075 1.00 0.00 N ATOM 745 CA GLU A 58 -1.772 -7.835 5.702 1.00 0.00 C ATOM 746 C GLU A 58 -1.199 -6.444 5.906 1.00 0.00 C ATOM 747 O GLU A 58 -1.852 -5.440 5.622 1.00 0.00 O ATOM 748 CB GLU A 58 -2.209 -8.396 7.054 1.00 0.00 C ATOM 749 CG GLU A 58 -2.876 -9.755 6.974 1.00 0.00 C ATOM 750 CD GLU A 58 -3.133 -10.346 8.341 1.00 0.00 C ATOM 751 OE1 GLU A 58 -4.093 -9.908 9.007 1.00 0.00 O ATOM 752 OE2 GLU A 58 -2.364 -11.234 8.766 1.00 0.00 O ATOM 0 H GLU A 58 -0.537 -9.530 5.624 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.636 -7.781 5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.337 -8.469 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.897 -7.692 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.820 -9.664 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.246 -10.434 6.399 1.00 0.00 H new ATOM 759 N ARG A 59 0.040 -6.399 6.374 1.00 0.00 N ATOM 760 CA ARG A 59 0.721 -5.142 6.634 1.00 0.00 C ATOM 761 C ARG A 59 0.967 -4.365 5.345 1.00 0.00 C ATOM 762 O ARG A 59 0.868 -3.138 5.326 1.00 0.00 O ATOM 763 CB ARG A 59 2.041 -5.409 7.369 1.00 0.00 C ATOM 764 CG ARG A 59 2.900 -4.172 7.577 1.00 0.00 C ATOM 765 CD ARG A 59 4.196 -4.257 6.783 1.00 0.00 C ATOM 766 NE ARG A 59 5.201 -5.094 7.443 1.00 0.00 N ATOM 767 CZ ARG A 59 6.035 -5.920 6.801 1.00 0.00 C ATOM 768 NH1 ARG A 59 6.006 -6.013 5.477 1.00 0.00 N ATOM 769 NH2 ARG A 59 6.911 -6.640 7.489 1.00 0.00 N ATOM 0 H ARG A 59 0.597 -7.228 6.583 1.00 0.00 H new ATOM 0 HA ARG A 59 0.080 -4.528 7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.820 -5.852 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.615 -6.145 6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.343 -3.285 7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.127 -4.059 8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.986 -4.659 5.792 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.599 -3.254 6.641 1.00 0.00 H new ATOM 0 HE ARG A 59 5.269 -5.044 8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.344 -5.452 4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.646 -6.645 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.948 -6.563 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.548 -7.270 7.002 1.00 0.00 H new ATOM 783 N GLN A 60 1.268 -5.077 4.266 1.00 0.00 N ATOM 784 CA GLN A 60 1.524 -4.427 2.989 1.00 0.00 C ATOM 785 C GLN A 60 0.261 -3.749 2.468 1.00 0.00 C ATOM 786 O GLN A 60 0.311 -2.645 1.928 1.00 0.00 O ATOM 787 CB GLN A 60 2.056 -5.433 1.967 1.00 0.00 C ATOM 788 CG GLN A 60 3.387 -6.053 2.362 1.00 0.00 C ATOM 789 CD GLN A 60 4.492 -5.026 2.528 1.00 0.00 C ATOM 790 OE1 GLN A 60 4.691 -4.479 3.612 1.00 0.00 O ATOM 791 NE2 GLN A 60 5.229 -4.773 1.459 1.00 0.00 N ATOM 0 H GLN A 60 1.340 -6.094 4.250 1.00 0.00 H new ATOM 0 HA GLN A 60 2.285 -3.662 3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.320 -6.226 1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.168 -4.936 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.264 -6.601 3.296 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.683 -6.778 1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.031 -5.248 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.996 -4.103 1.515 1.00 0.00 H new ATOM 800 N VAL A 61 -0.871 -4.404 2.652 1.00 0.00 N ATOM 801 CA VAL A 61 -2.141 -3.861 2.198 1.00 0.00 C ATOM 802 C VAL A 61 -2.642 -2.776 3.152 1.00 0.00 C ATOM 803 O VAL A 61 -3.184 -1.754 2.724 1.00 0.00 O ATOM 804 CB VAL A 61 -3.199 -4.975 2.053 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.559 -4.396 1.698 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.757 -5.980 1.001 1.00 0.00 C ATOM 0 H VAL A 61 -0.938 -5.312 3.112 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.978 -3.412 1.218 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.293 -5.485 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.285 -5.204 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.879 -3.712 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.490 -3.857 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.510 -6.762 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.636 -5.474 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.808 -6.425 1.299 1.00 0.00 H new ATOM 816 N LYS A 62 -2.427 -2.996 4.444 1.00 0.00 N ATOM 817 CA LYS A 62 -2.870 -2.065 5.473 1.00 0.00 C ATOM 818 C LYS A 62 -2.230 -0.686 5.309 1.00 0.00 C ATOM 819 O LYS A 62 -2.917 0.334 5.378 1.00 0.00 O ATOM 820 CB LYS A 62 -2.547 -2.627 6.858 1.00 0.00 C ATOM 821 CG LYS A 62 -3.761 -2.769 7.763 1.00 0.00 C ATOM 822 CD LYS A 62 -4.428 -1.428 8.020 1.00 0.00 C ATOM 823 CE LYS A 62 -4.825 -1.274 9.477 1.00 0.00 C ATOM 824 NZ LYS A 62 -3.637 -1.166 10.366 1.00 0.00 N ATOM 0 H LYS A 62 -1.944 -3.819 4.805 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.948 -1.944 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.076 -3.603 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.819 -1.977 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.478 -3.451 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.458 -3.213 8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.749 -0.623 7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.312 -1.333 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.447 -0.386 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.430 -2.128 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.910 -0.703 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.268 -2.117 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.901 -0.603 9.895 1.00 0.00 H new ATOM 838 N ILE A 63 -0.922 -0.646 5.080 1.00 0.00 N ATOM 839 CA ILE A 63 -0.234 0.628 4.918 1.00 0.00 C ATOM 840 C ILE A 63 -0.599 1.271 3.588 1.00 0.00 C ATOM 841 O ILE A 63 -0.705 2.492 3.490 1.00 0.00 O ATOM 842 CB ILE A 63 1.302 0.492 5.025 1.00 0.00 C ATOM 843 CG1 ILE A 63 1.690 -0.158 6.360 1.00 0.00 C ATOM 844 CG2 ILE A 63 1.960 1.861 4.895 1.00 0.00 C ATOM 845 CD1 ILE A 63 3.181 -0.370 6.528 1.00 0.00 C ATOM 0 H ILE A 63 -0.324 -1.469 5.003 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.567 1.266 5.737 1.00 0.00 H new ATOM 0 HB ILE A 63 1.653 -0.146 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.327 0.467 7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.184 -1.120 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.042 1.753 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.706 2.296 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.603 2.514 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.376 -0.833 7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.548 -1.020 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.693 0.591 6.476 1.00 0.00 H new ATOM 857 N TRP A 64 -0.806 0.453 2.569 1.00 0.00 N ATOM 858 CA TRP A 64 -1.175 0.969 1.262 1.00 0.00 C ATOM 859 C TRP A 64 -2.533 1.654 1.342 1.00 0.00 C ATOM 860 O TRP A 64 -2.709 2.769 0.851 1.00 0.00 O ATOM 861 CB TRP A 64 -1.214 -0.150 0.220 1.00 0.00 C ATOM 862 CG TRP A 64 -1.164 0.360 -1.189 1.00 0.00 C ATOM 863 CD1 TRP A 64 -0.052 0.502 -1.967 1.00 0.00 C ATOM 864 CD2 TRP A 64 -2.270 0.804 -1.986 1.00 0.00 C ATOM 865 NE1 TRP A 64 -0.399 1.010 -3.194 1.00 0.00 N ATOM 866 CE2 TRP A 64 -1.753 1.202 -3.232 1.00 0.00 C ATOM 867 CE3 TRP A 64 -3.647 0.901 -1.770 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -2.563 1.691 -4.253 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -4.448 1.389 -2.780 1.00 0.00 C ATOM 870 CH2 TRP A 64 -3.904 1.780 -4.010 1.00 0.00 C ATOM 0 H TRP A 64 -0.726 -0.563 2.621 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.421 1.693 0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.374 -0.824 0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.124 -0.735 0.357 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.953 0.252 -1.662 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.249 1.212 -3.955 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.077 0.598 -0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.146 1.989 -5.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.513 1.471 -2.620 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.558 2.159 -4.781 1.00 0.00 H new ATOM 881 N PHE A 65 -3.481 0.985 1.986 1.00 0.00 N ATOM 882 CA PHE A 65 -4.825 1.504 2.145 1.00 0.00 C ATOM 883 C PHE A 65 -4.827 2.773 2.985 1.00 0.00 C ATOM 884 O PHE A 65 -5.609 3.696 2.748 1.00 0.00 O ATOM 885 CB PHE A 65 -5.704 0.435 2.787 1.00 0.00 C ATOM 886 CG PHE A 65 -6.298 -0.551 1.808 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.661 -0.837 0.609 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.494 -1.191 2.094 1.00 0.00 C ATOM 889 CE1 PHE A 65 -6.208 -1.741 -0.285 1.00 0.00 C ATOM 890 CE2 PHE A 65 -8.044 -2.095 1.205 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.401 -2.370 0.014 1.00 0.00 C ATOM 0 H PHE A 65 -3.336 0.069 2.411 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.223 1.760 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.113 -0.112 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.514 0.924 3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.728 -0.349 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.002 -0.980 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.703 -1.954 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.976 -2.586 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.830 -3.075 -0.682 1.00 0.00 H new ATOM 901 N GLN A 66 -3.944 2.811 3.962 1.00 0.00 N ATOM 902 CA GLN A 66 -3.827 3.963 4.842 1.00 0.00 C ATOM 903 C GLN A 66 -3.176 5.120 4.097 1.00 0.00 C ATOM 904 O GLN A 66 -3.656 6.252 4.140 1.00 0.00 O ATOM 905 CB GLN A 66 -3.002 3.607 6.080 1.00 0.00 C ATOM 906 CG GLN A 66 -3.594 4.124 7.384 1.00 0.00 C ATOM 907 CD GLN A 66 -3.931 5.605 7.342 1.00 0.00 C ATOM 908 OE1 GLN A 66 -5.061 5.990 7.038 1.00 0.00 O ATOM 909 NE2 GLN A 66 -2.951 6.445 7.639 1.00 0.00 N ATOM 0 H GLN A 66 -3.292 2.054 4.170 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.825 4.261 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.905 2.523 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.996 4.011 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.497 3.559 7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.888 3.941 8.194 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.029 6.086 7.886 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.119 7.451 7.621 1.00 0.00 H new ATOM 918 N ASN A 67 -2.090 4.818 3.396 1.00 0.00 N ATOM 919 CA ASN A 67 -1.360 5.823 2.640 1.00 0.00 C ATOM 920 C ASN A 67 -2.242 6.433 1.571 1.00 0.00 C ATOM 921 O ASN A 67 -2.223 7.636 1.368 1.00 0.00 O ATOM 922 CB ASN A 67 -0.118 5.221 1.996 1.00 0.00 C ATOM 923 CG ASN A 67 0.921 6.272 1.652 1.00 0.00 C ATOM 924 OD1 ASN A 67 1.035 7.297 2.485 1.00 0.00 O flip ATOM 925 ND2 ASN A 67 1.633 6.153 0.659 1.00 0.00 N flip ATOM 0 H ASN A 67 -1.695 3.879 3.337 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.053 6.604 3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.321 4.488 2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.404 4.687 1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.516 5.350 0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.342 6.857 0.452 1.00 0.00 H new ATOM 932 N ARG A 68 -3.014 5.594 0.895 1.00 0.00 N ATOM 933 CA ARG A 68 -3.926 6.056 -0.149 1.00 0.00 C ATOM 934 C ARG A 68 -4.850 7.142 0.406 1.00 0.00 C ATOM 935 O ARG A 68 -5.142 8.137 -0.261 1.00 0.00 O ATOM 936 CB ARG A 68 -4.754 4.882 -0.686 1.00 0.00 C ATOM 937 CG ARG A 68 -5.148 5.016 -2.152 1.00 0.00 C ATOM 938 CD ARG A 68 -6.244 6.051 -2.356 1.00 0.00 C ATOM 939 NE ARG A 68 -6.821 5.986 -3.696 1.00 0.00 N ATOM 940 CZ ARG A 68 -7.209 7.046 -4.401 1.00 0.00 C ATOM 941 NH1 ARG A 68 -7.082 8.273 -3.905 1.00 0.00 N ATOM 942 NH2 ARG A 68 -7.724 6.870 -5.609 1.00 0.00 N ATOM 0 H ARG A 68 -3.029 4.586 1.050 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.341 6.475 -0.968 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.185 3.961 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.658 4.785 -0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.273 5.295 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.488 4.050 -2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.029 5.897 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.837 7.048 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.934 5.065 -4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.684 8.409 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.383 9.079 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.820 5.929 -5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.025 7.676 -6.158 1.00 0.00 H new ATOM 956 N ARG A 69 -5.295 6.941 1.637 1.00 0.00 N ATOM 957 CA ARG A 69 -6.173 7.890 2.304 1.00 0.00 C ATOM 958 C ARG A 69 -5.396 9.130 2.746 1.00 0.00 C ATOM 959 O ARG A 69 -5.868 10.257 2.595 1.00 0.00 O ATOM 960 CB ARG A 69 -6.844 7.218 3.508 1.00 0.00 C ATOM 961 CG ARG A 69 -7.818 8.116 4.258 1.00 0.00 C ATOM 962 CD ARG A 69 -8.857 8.725 3.331 1.00 0.00 C ATOM 963 NE ARG A 69 -9.689 7.710 2.687 1.00 0.00 N ATOM 964 CZ ARG A 69 -9.916 7.649 1.377 1.00 0.00 C ATOM 965 NH1 ARG A 69 -9.355 8.528 0.557 1.00 0.00 N ATOM 966 NH2 ARG A 69 -10.701 6.705 0.887 1.00 0.00 N ATOM 0 H ARG A 69 -5.060 6.122 2.198 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.943 8.209 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.375 6.330 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.072 6.881 4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.319 7.539 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.266 8.912 4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.492 9.406 3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.355 9.319 2.567 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.124 7.003 3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.746 9.256 0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.533 8.476 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.132 6.024 1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.876 6.657 -0.117 1.00 0.00 H new