USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 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 38 MET CE :methyl -150:sc= -0.102 (180deg=-1.56!) USER MOD Set 1.2: A 48 MET CE :methyl 167:sc= -4.03! (180deg=-4.53!) USER MOD Set 2.1: A 20 THR OG1 : rot 36:sc= -0.431! USER MOD Set 2.2: A 51 TYR OH : rot -109:sc= 1.07 USER MOD Single : A 11 THR OG1 : rot -151:sc= -2! USER MOD Single : A 14 GLN : amide:sc= -0.961 K(o=-0.96,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.223 (180deg=-0.334) USER MOD Single : A 18 GLN : amide:sc= -2.02 K(o=-2,f=-7.1!) USER MOD Single : A 22 SER OG : rot 77:sc= 1.16 USER MOD Single : A 24 LYS NZ :NH3+ -124:sc= 0.57 (180deg=-0.147) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0297 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -42:sc= 0.105 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.04 K(o=1,f=-1.3!) USER MOD Single : A 52 TYR OH : rot 72:sc= 0.0842 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -10.236 8.402 4.480 1.00 0.00 N ATOM 140 CA LEU A 10 -10.796 7.914 3.266 1.00 0.00 C ATOM 141 C LEU A 10 -11.584 6.646 3.529 1.00 0.00 C ATOM 142 O LEU A 10 -11.691 6.203 4.675 1.00 0.00 O ATOM 143 CB LEU A 10 -9.688 7.633 2.230 1.00 0.00 C ATOM 144 CG LEU A 10 -8.413 8.505 2.248 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.460 8.051 3.344 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.722 8.460 0.898 1.00 0.00 C ATOM 0 HA LEU A 10 -11.464 8.677 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.379 6.595 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.133 7.720 1.239 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.708 9.533 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.570 8.680 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.954 8.133 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.173 7.014 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.826 9.079 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.445 7.432 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.398 8.836 0.130 1.00 0.00 H new ATOM 158 N THR A 11 -12.139 6.070 2.484 1.00 0.00 N ATOM 159 CA THR A 11 -12.873 4.845 2.622 1.00 0.00 C ATOM 160 C THR A 11 -11.969 3.713 2.212 1.00 0.00 C ATOM 161 O THR A 11 -10.843 3.958 1.776 1.00 0.00 O ATOM 162 CB THR A 11 -14.148 4.826 1.742 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.784 4.846 0.354 1.00 0.00 O ATOM 164 CG2 THR A 11 -15.019 6.027 2.028 1.00 0.00 C ATOM 0 H THR A 11 -12.092 6.435 1.533 1.00 0.00 H new ATOM 0 HA THR A 11 -13.193 4.746 3.659 1.00 0.00 H new ATOM 0 HB THR A 11 -14.702 3.917 1.975 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.493 5.282 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.908 5.990 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.317 6.019 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.461 6.939 1.817 1.00 0.00 H new ATOM 172 N PHE A 12 -12.457 2.492 2.298 1.00 0.00 N ATOM 173 CA PHE A 12 -11.649 1.349 1.927 1.00 0.00 C ATOM 174 C PHE A 12 -11.313 1.398 0.433 1.00 0.00 C ATOM 175 O PHE A 12 -10.210 1.108 -0.005 1.00 0.00 O ATOM 176 CB PHE A 12 -12.338 0.028 2.323 1.00 0.00 C ATOM 177 CG PHE A 12 -11.540 -1.205 1.994 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.012 -2.141 1.087 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.319 -1.424 2.590 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.269 -3.271 0.790 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.579 -2.543 2.293 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.047 -3.468 1.400 1.00 0.00 C ATOM 0 H PHE A 12 -13.399 2.267 2.618 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.710 1.392 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.539 0.042 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.303 -0.031 1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.968 -1.988 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.937 -0.706 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.645 -3.996 0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.621 -2.694 2.768 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.463 -4.348 1.174 1.00 0.00 H new ATOM 192 N ASP A 13 -12.301 1.873 -0.300 1.00 0.00 N ATOM 193 CA ASP A 13 -12.173 2.128 -1.735 1.00 0.00 C ATOM 194 C ASP A 13 -11.182 3.204 -2.052 1.00 0.00 C ATOM 195 O ASP A 13 -10.370 3.059 -2.963 1.00 0.00 O ATOM 196 CB ASP A 13 -13.512 2.412 -2.399 1.00 0.00 C ATOM 197 CG ASP A 13 -14.308 1.165 -2.587 1.00 0.00 C ATOM 198 OD1 ASP A 13 -15.357 0.997 -1.934 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.870 0.308 -3.378 1.00 0.00 O ATOM 0 H ASP A 13 -13.222 2.096 0.078 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.786 1.201 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -14.078 3.117 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.346 2.887 -3.366 1.00 0.00 H new ATOM 204 N GLN A 14 -11.189 4.239 -1.252 1.00 0.00 N ATOM 205 CA GLN A 14 -10.331 5.376 -1.490 1.00 0.00 C ATOM 206 C GLN A 14 -8.901 5.024 -1.101 1.00 0.00 C ATOM 207 O GLN A 14 -7.948 5.442 -1.742 1.00 0.00 O ATOM 208 CB GLN A 14 -10.822 6.591 -0.733 1.00 0.00 C ATOM 209 CG GLN A 14 -12.233 7.042 -1.059 1.00 0.00 C ATOM 210 CD GLN A 14 -12.383 7.596 -2.445 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.701 7.203 -3.382 1.00 0.00 O ATOM 212 NE2 GLN A 14 -13.255 8.521 -2.584 1.00 0.00 N ATOM 0 H GLN A 14 -11.782 4.320 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.354 5.625 -2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.765 6.379 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.141 7.419 -0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.912 6.198 -0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.538 7.801 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.807 8.826 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.398 8.954 -3.496 1.00 0.00 H new ATOM 221 N VAL A 15 -8.773 4.238 -0.030 1.00 0.00 N ATOM 222 CA VAL A 15 -7.481 3.849 0.496 1.00 0.00 C ATOM 223 C VAL A 15 -6.858 2.893 -0.447 1.00 0.00 C ATOM 224 O VAL A 15 -5.641 2.927 -0.680 1.00 0.00 O ATOM 225 CB VAL A 15 -7.549 3.250 1.924 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.228 2.616 2.272 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.832 4.341 2.928 1.00 0.00 C ATOM 0 H VAL A 15 -9.565 3.859 0.489 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.874 4.749 0.589 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.344 2.504 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.279 2.196 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.006 1.823 1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.441 3.370 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.878 3.911 3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.037 5.086 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.785 4.814 2.692 1.00 0.00 H new ATOM 237 N LYS A 16 -7.671 2.039 -1.007 1.00 0.00 N ATOM 238 CA LYS A 16 -7.222 1.164 -2.014 1.00 0.00 C ATOM 239 C LYS A 16 -6.591 1.964 -3.124 1.00 0.00 C ATOM 240 O LYS A 16 -5.479 1.693 -3.506 1.00 0.00 O ATOM 241 CB LYS A 16 -8.367 0.296 -2.536 1.00 0.00 C ATOM 242 CG LYS A 16 -8.651 -0.939 -1.693 1.00 0.00 C ATOM 243 CD LYS A 16 -9.666 -1.921 -2.322 1.00 0.00 C ATOM 244 CE LYS A 16 -11.086 -1.354 -2.488 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.285 -0.554 -3.726 1.00 0.00 N ATOM 0 H LYS A 16 -8.658 1.943 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.474 0.490 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.272 0.902 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.134 -0.018 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.714 -1.467 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.026 -0.622 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.295 -2.229 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.717 -2.817 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.797 -2.180 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.319 -0.730 -1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.302 -0.410 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.817 0.369 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.875 -1.061 -4.536 1.00 0.00 H new ATOM 259 N GLU A 17 -7.258 2.996 -3.565 1.00 0.00 N ATOM 260 CA GLU A 17 -6.690 3.850 -4.571 1.00 0.00 C ATOM 261 C GLU A 17 -5.417 4.607 -4.129 1.00 0.00 C ATOM 262 O GLU A 17 -4.579 4.905 -4.979 1.00 0.00 O ATOM 263 CB GLU A 17 -7.710 4.774 -5.213 1.00 0.00 C ATOM 264 CG GLU A 17 -8.750 4.032 -6.028 1.00 0.00 C ATOM 265 CD GLU A 17 -9.587 4.947 -6.865 1.00 0.00 C ATOM 266 OE1 GLU A 17 -9.123 5.352 -7.953 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.743 5.255 -6.471 1.00 0.00 O ATOM 0 H GLU A 17 -8.189 3.264 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.356 3.158 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.210 5.351 -4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.193 5.486 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.252 3.309 -6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.397 3.467 -5.357 1.00 0.00 H new ATOM 274 N GLN A 18 -5.224 4.875 -2.809 1.00 0.00 N ATOM 275 CA GLN A 18 -4.040 5.619 -2.371 1.00 0.00 C ATOM 276 C GLN A 18 -2.834 4.738 -2.531 1.00 0.00 C ATOM 277 O GLN A 18 -1.814 5.103 -3.140 1.00 0.00 O ATOM 278 CB GLN A 18 -4.195 6.245 -0.948 1.00 0.00 C ATOM 279 CG GLN A 18 -4.045 5.315 0.235 1.00 0.00 C ATOM 280 CD GLN A 18 -4.160 6.020 1.582 1.00 0.00 C ATOM 281 OE1 GLN A 18 -4.619 5.446 2.551 1.00 0.00 O ATOM 282 NE2 GLN A 18 -3.709 7.242 1.664 1.00 0.00 N ATOM 0 H GLN A 18 -5.858 4.592 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.908 6.493 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.458 7.042 -0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.179 6.711 -0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.807 4.538 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.077 4.818 0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.329 7.702 0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.737 7.737 2.555 1.00 0.00 H new ATOM 291 N LEU A 19 -2.983 3.574 -2.007 1.00 0.00 N ATOM 292 CA LEU A 19 -1.986 2.571 -1.993 1.00 0.00 C ATOM 293 C LEU A 19 -1.673 2.075 -3.379 1.00 0.00 C ATOM 294 O LEU A 19 -0.504 1.883 -3.728 1.00 0.00 O ATOM 295 CB LEU A 19 -2.462 1.472 -1.108 1.00 0.00 C ATOM 296 CG LEU A 19 -2.264 1.672 0.384 1.00 0.00 C ATOM 297 CD1 LEU A 19 -2.983 0.597 1.147 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.781 1.667 0.734 1.00 0.00 C ATOM 0 H LEU A 19 -3.849 3.283 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.052 2.981 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.525 1.320 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.953 0.554 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.678 2.641 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.835 0.749 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.048 0.639 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.589 -0.378 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.660 1.812 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.342 0.712 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.278 2.474 0.200 1.00 0.00 H new ATOM 310 N THR A 20 -2.706 1.938 -4.175 1.00 0.00 N ATOM 311 CA THR A 20 -2.565 1.512 -5.535 1.00 0.00 C ATOM 312 C THR A 20 -1.700 2.474 -6.298 1.00 0.00 C ATOM 313 O THR A 20 -0.703 2.075 -6.876 1.00 0.00 O ATOM 314 CB THR A 20 -3.950 1.389 -6.202 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.633 0.259 -5.674 1.00 0.00 O ATOM 316 CG2 THR A 20 -3.872 1.315 -7.725 1.00 0.00 C ATOM 0 H THR A 20 -3.668 2.121 -3.891 1.00 0.00 H new ATOM 0 HA THR A 20 -2.085 0.533 -5.545 1.00 0.00 H new ATOM 0 HB THR A 20 -4.508 2.297 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.418 0.162 -4.723 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.877 1.229 -8.137 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.398 2.218 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.285 0.444 -8.017 1.00 0.00 H new ATOM 324 N GLU A 21 -2.024 3.737 -6.191 1.00 0.00 N ATOM 325 CA GLU A 21 -1.363 4.776 -6.938 1.00 0.00 C ATOM 326 C GLU A 21 0.119 4.841 -6.541 1.00 0.00 C ATOM 327 O GLU A 21 1.005 4.953 -7.384 1.00 0.00 O ATOM 328 CB GLU A 21 -2.086 6.074 -6.636 1.00 0.00 C ATOM 329 CG GLU A 21 -1.763 7.217 -7.561 1.00 0.00 C ATOM 330 CD GLU A 21 -2.202 6.922 -8.966 1.00 0.00 C ATOM 331 OE1 GLU A 21 -1.365 6.580 -9.797 1.00 0.00 O ATOM 332 OE2 GLU A 21 -3.421 7.017 -9.264 1.00 0.00 O ATOM 0 H GLU A 21 -2.763 4.077 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.395 4.582 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.160 5.890 -6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.848 6.375 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.254 8.124 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.690 7.408 -7.545 1.00 0.00 H new ATOM 339 N SER A 22 0.348 4.702 -5.255 1.00 0.00 N ATOM 340 CA SER A 22 1.690 4.722 -4.686 1.00 0.00 C ATOM 341 C SER A 22 2.526 3.562 -5.244 1.00 0.00 C ATOM 342 O SER A 22 3.651 3.757 -5.730 1.00 0.00 O ATOM 343 CB SER A 22 1.613 4.641 -3.158 1.00 0.00 C ATOM 344 OG SER A 22 0.846 5.727 -2.625 1.00 0.00 O ATOM 0 H SER A 22 -0.391 4.571 -4.565 1.00 0.00 H new ATOM 0 HA SER A 22 2.175 5.658 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.163 3.693 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.619 4.661 -2.738 1.00 0.00 H new ATOM 0 HG SER A 22 -0.108 5.554 -2.766 1.00 0.00 H new ATOM 350 N GLY A 23 1.943 2.366 -5.225 1.00 0.00 N ATOM 351 CA GLY A 23 2.599 1.186 -5.731 1.00 0.00 C ATOM 352 C GLY A 23 2.860 1.282 -7.211 1.00 0.00 C ATOM 353 O GLY A 23 3.862 0.812 -7.693 1.00 0.00 O ATOM 0 H GLY A 23 1.006 2.199 -4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.542 1.040 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.982 0.311 -5.527 1.00 0.00 H new ATOM 357 N LYS A 24 1.937 1.917 -7.909 1.00 0.00 N ATOM 358 CA LYS A 24 2.038 2.128 -9.354 1.00 0.00 C ATOM 359 C LYS A 24 3.225 2.992 -9.726 1.00 0.00 C ATOM 360 O LYS A 24 3.866 2.774 -10.756 1.00 0.00 O ATOM 361 CB LYS A 24 0.760 2.749 -9.870 1.00 0.00 C ATOM 362 CG LYS A 24 -0.441 1.826 -9.774 1.00 0.00 C ATOM 363 CD LYS A 24 -0.435 0.729 -10.834 1.00 0.00 C ATOM 364 CE LYS A 24 -0.613 1.302 -12.230 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.607 0.272 -13.281 1.00 0.00 N ATOM 0 H LYS A 24 1.090 2.305 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 24 2.190 1.154 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.555 3.660 -9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.901 3.042 -10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.462 1.368 -8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.353 2.414 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.504 0.178 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.234 0.017 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.553 1.852 -12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.185 2.018 -12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.130 0.494 -13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.412 -0.657 -12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.535 0.250 -13.750 1.00 0.00 H new ATOM 379 N LYS A 25 3.523 3.960 -8.895 1.00 0.00 N ATOM 380 CA LYS A 25 4.620 4.871 -9.124 1.00 0.00 C ATOM 381 C LYS A 25 5.948 4.203 -8.846 1.00 0.00 C ATOM 382 O LYS A 25 6.931 4.414 -9.557 1.00 0.00 O ATOM 383 CB LYS A 25 4.449 6.102 -8.240 1.00 0.00 C ATOM 384 CG LYS A 25 3.211 6.932 -8.568 1.00 0.00 C ATOM 385 CD LYS A 25 2.923 7.968 -7.488 1.00 0.00 C ATOM 386 CE LYS A 25 4.069 8.945 -7.309 1.00 0.00 C ATOM 387 NZ LYS A 25 3.838 9.856 -6.177 1.00 0.00 N ATOM 0 H LYS A 25 3.008 4.140 -8.033 1.00 0.00 H new ATOM 0 HA LYS A 25 4.613 5.172 -10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.396 5.785 -7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.333 6.732 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.353 7.434 -9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.350 6.273 -8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.017 8.517 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.730 7.461 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.995 8.393 -7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.198 9.526 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.643 10.509 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.967 10.401 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.740 9.304 -5.301 1.00 0.00 H new ATOM 401 N ARG A 26 5.971 3.401 -7.811 1.00 0.00 N ATOM 402 CA ARG A 26 7.198 2.760 -7.380 1.00 0.00 C ATOM 403 C ARG A 26 7.467 1.484 -8.155 1.00 0.00 C ATOM 404 O ARG A 26 8.505 1.304 -8.775 1.00 0.00 O ATOM 405 CB ARG A 26 7.126 2.386 -5.913 1.00 0.00 C ATOM 406 CG ARG A 26 6.748 3.488 -4.958 1.00 0.00 C ATOM 407 CD ARG A 26 6.677 2.896 -3.584 1.00 0.00 C ATOM 408 NE ARG A 26 6.076 3.753 -2.582 1.00 0.00 N ATOM 409 CZ ARG A 26 5.649 3.263 -1.420 1.00 0.00 C ATOM 410 NH1 ARG A 26 6.008 2.037 -1.069 1.00 0.00 N ATOM 411 NH2 ARG A 26 4.946 3.999 -0.578 1.00 0.00 N ATOM 0 H ARG A 26 5.153 3.173 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 26 7.997 3.480 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.405 1.576 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.097 1.992 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.484 4.291 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.788 3.923 -5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.110 1.966 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.686 2.638 -3.263 1.00 0.00 H new ATOM 0 HE ARG A 26 5.978 4.751 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.603 1.484 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.690 1.647 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.719 4.965 -0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.630 3.601 0.306 1.00 0.00 H new ATOM 425 N GLY A 27 6.471 0.623 -8.113 1.00 0.00 N ATOM 426 CA GLY A 27 6.534 -0.687 -8.673 1.00 0.00 C ATOM 427 C GLY A 27 6.391 -1.714 -7.596 1.00 0.00 C ATOM 428 O GLY A 27 6.249 -2.913 -7.874 1.00 0.00 O ATOM 0 H GLY A 27 5.575 0.833 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.744 -0.813 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.482 -0.823 -9.193 1.00 0.00 H new ATOM 432 N VAL A 28 6.350 -1.246 -6.357 1.00 0.00 N ATOM 433 CA VAL A 28 6.328 -2.122 -5.228 1.00 0.00 C ATOM 434 C VAL A 28 5.713 -1.436 -4.011 1.00 0.00 C ATOM 435 O VAL A 28 5.651 -0.200 -3.945 1.00 0.00 O ATOM 436 CB VAL A 28 7.768 -2.569 -4.913 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.608 -1.428 -4.407 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.809 -3.729 -3.992 1.00 0.00 C ATOM 0 H VAL A 28 6.332 -0.254 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 28 5.713 -2.990 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 28 8.204 -2.901 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.616 -1.784 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.651 -0.644 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.166 -1.028 -3.494 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.846 -4.006 -3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.325 -3.464 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.286 -4.572 -4.445 1.00 0.00 H new ATOM 448 N LEU A 29 5.227 -2.248 -3.104 1.00 0.00 N ATOM 449 CA LEU A 29 4.684 -1.830 -1.840 1.00 0.00 C ATOM 450 C LEU A 29 5.011 -2.891 -0.796 1.00 0.00 C ATOM 451 O LEU A 29 5.016 -4.076 -1.127 1.00 0.00 O ATOM 452 CB LEU A 29 3.162 -1.719 -1.925 1.00 0.00 C ATOM 453 CG LEU A 29 2.553 -0.550 -2.681 1.00 0.00 C ATOM 454 CD1 LEU A 29 1.056 -0.740 -2.773 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.850 0.756 -1.974 1.00 0.00 C ATOM 0 H LEU A 29 5.199 -3.259 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 29 5.111 -0.863 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.789 -2.636 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.776 -1.690 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 29 2.988 -0.514 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.616 0.097 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.839 -1.669 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.633 -0.786 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.405 1.581 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.430 0.729 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.929 0.899 -1.913 1.00 0.00 H new ATOM 467 N THR A 30 5.331 -2.491 0.417 1.00 0.00 N ATOM 468 CA THR A 30 5.464 -3.441 1.499 1.00 0.00 C ATOM 469 C THR A 30 4.073 -3.806 2.036 1.00 0.00 C ATOM 470 O THR A 30 3.177 -2.955 2.090 1.00 0.00 O ATOM 471 CB THR A 30 6.354 -2.925 2.683 1.00 0.00 C ATOM 472 OG1 THR A 30 5.916 -1.675 3.212 1.00 0.00 O ATOM 473 CG2 THR A 30 7.812 -2.849 2.310 1.00 0.00 C ATOM 0 H THR A 30 5.503 -1.520 0.677 1.00 0.00 H new ATOM 0 HA THR A 30 5.967 -4.314 1.083 1.00 0.00 H new ATOM 0 HB THR A 30 6.238 -3.670 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.507 -1.406 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.387 -2.487 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.167 -3.840 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.938 -2.165 1.470 1.00 0.00 H new ATOM 481 N TYR A 31 3.889 -5.055 2.434 1.00 0.00 N ATOM 482 CA TYR A 31 2.616 -5.523 2.993 1.00 0.00 C ATOM 483 C TYR A 31 2.220 -4.705 4.200 1.00 0.00 C ATOM 484 O TYR A 31 1.049 -4.394 4.400 1.00 0.00 O ATOM 485 CB TYR A 31 2.679 -6.993 3.440 1.00 0.00 C ATOM 486 CG TYR A 31 2.845 -8.021 2.350 1.00 0.00 C ATOM 487 CD1 TYR A 31 1.980 -8.074 1.282 1.00 0.00 C ATOM 488 CD2 TYR A 31 3.848 -8.969 2.421 1.00 0.00 C ATOM 489 CE1 TYR A 31 2.109 -9.035 0.312 1.00 0.00 C ATOM 490 CE2 TYR A 31 3.990 -9.932 1.452 1.00 0.00 C ATOM 491 CZ TYR A 31 3.117 -9.958 0.399 1.00 0.00 C ATOM 492 OH TYR A 31 3.245 -10.908 -0.571 1.00 0.00 O ATOM 0 H TYR A 31 4.610 -5.775 2.382 1.00 0.00 H new ATOM 0 HA TYR A 31 1.885 -5.415 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.507 -7.101 4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.766 -7.222 3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.186 -7.346 1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.534 -8.952 3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.418 -9.064 -0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.783 -10.662 1.521 1.00 0.00 H new ATOM 0 HH TYR A 31 4.009 -11.486 -0.364 1.00 0.00 H new ATOM 502 N GLU A 32 3.202 -4.311 4.976 1.00 0.00 N ATOM 503 CA GLU A 32 2.927 -3.651 6.211 1.00 0.00 C ATOM 504 C GLU A 32 2.536 -2.178 6.009 1.00 0.00 C ATOM 505 O GLU A 32 1.834 -1.603 6.843 1.00 0.00 O ATOM 506 CB GLU A 32 4.082 -3.821 7.180 1.00 0.00 C ATOM 507 CG GLU A 32 3.706 -3.534 8.616 1.00 0.00 C ATOM 508 CD GLU A 32 4.798 -3.879 9.575 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.417 -4.956 9.432 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.007 -3.129 10.539 1.00 0.00 O ATOM 0 H GLU A 32 4.192 -4.440 4.767 1.00 0.00 H new ATOM 0 HA GLU A 32 2.055 -4.129 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.460 -4.841 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.895 -3.158 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.458 -2.478 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.810 -4.099 8.873 1.00 0.00 H new ATOM 517 N GLU A 33 2.942 -1.565 4.899 1.00 0.00 N ATOM 518 CA GLU A 33 2.525 -0.189 4.655 1.00 0.00 C ATOM 519 C GLU A 33 1.111 -0.217 4.102 1.00 0.00 C ATOM 520 O GLU A 33 0.305 0.692 4.330 1.00 0.00 O ATOM 521 CB GLU A 33 3.478 0.570 3.722 1.00 0.00 C ATOM 522 CG GLU A 33 3.464 0.121 2.275 1.00 0.00 C ATOM 523 CD GLU A 33 4.404 0.916 1.434 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.409 0.361 0.937 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.167 2.132 1.251 1.00 0.00 O ATOM 0 H GLU A 33 3.536 -1.980 4.181 1.00 0.00 H new ATOM 0 HA GLU A 33 2.553 0.358 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.227 1.630 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.493 0.469 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.732 -0.934 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.454 0.214 1.876 1.00 0.00 H new ATOM 532 N ILE A 34 0.807 -1.311 3.415 1.00 0.00 N ATOM 533 CA ILE A 34 -0.513 -1.554 2.903 1.00 0.00 C ATOM 534 C ILE A 34 -1.452 -1.766 4.063 1.00 0.00 C ATOM 535 O ILE A 34 -2.542 -1.190 4.110 1.00 0.00 O ATOM 536 CB ILE A 34 -0.541 -2.772 1.955 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.339 -2.497 0.741 1.00 0.00 C ATOM 538 CG2 ILE A 34 -1.973 -3.088 1.527 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.483 -3.667 -0.192 1.00 0.00 C ATOM 0 H ILE A 34 1.478 -2.049 3.203 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.829 -0.689 2.321 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.151 -3.642 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.077 -1.655 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.329 -2.196 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.971 -3.949 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.575 -3.313 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.396 -2.228 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.124 -3.388 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.928 -4.506 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.499 -3.956 -0.567 1.00 0.00 H new ATOM 551 N ALA A 35 -0.985 -2.517 5.071 1.00 0.00 N ATOM 552 CA ALA A 35 -1.729 -2.822 6.256 1.00 0.00 C ATOM 553 C ALA A 35 -1.979 -1.567 7.076 1.00 0.00 C ATOM 554 O ALA A 35 -2.994 -1.448 7.750 1.00 0.00 O ATOM 555 CB ALA A 35 -1.006 -3.870 7.091 1.00 0.00 C ATOM 0 H ALA A 35 -0.052 -2.930 5.064 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.694 -3.229 5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.588 -4.087 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.886 -4.782 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.025 -3.492 7.379 1.00 0.00 H new ATOM 561 N GLU A 36 -1.034 -0.625 6.986 1.00 0.00 N ATOM 562 CA GLU A 36 -1.049 0.604 7.764 1.00 0.00 C ATOM 563 C GLU A 36 -2.280 1.423 7.494 1.00 0.00 C ATOM 564 O GLU A 36 -3.004 1.813 8.417 1.00 0.00 O ATOM 565 CB GLU A 36 0.186 1.452 7.458 1.00 0.00 C ATOM 566 CG GLU A 36 0.172 2.819 8.126 1.00 0.00 C ATOM 567 CD GLU A 36 1.363 3.645 7.777 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.438 3.411 8.349 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.251 4.550 6.945 1.00 0.00 O ATOM 0 H GLU A 36 -0.231 -0.702 6.362 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.048 0.312 8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.076 0.910 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.265 1.586 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.733 3.352 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.130 2.689 9.207 1.00 0.00 H new ATOM 576 N ARG A 37 -2.543 1.674 6.226 1.00 0.00 N ATOM 577 CA ARG A 37 -3.669 2.485 5.826 1.00 0.00 C ATOM 578 C ARG A 37 -4.955 1.730 6.121 1.00 0.00 C ATOM 579 O ARG A 37 -5.966 2.314 6.486 1.00 0.00 O ATOM 580 CB ARG A 37 -3.596 2.759 4.328 1.00 0.00 C ATOM 581 CG ARG A 37 -2.241 3.210 3.791 1.00 0.00 C ATOM 582 CD ARG A 37 -1.782 4.555 4.317 1.00 0.00 C ATOM 583 NE ARG A 37 -0.451 4.883 3.777 1.00 0.00 N ATOM 584 CZ ARG A 37 0.165 6.069 3.867 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.413 7.082 4.493 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.365 6.226 3.326 1.00 0.00 N ATOM 0 H ARG A 37 -1.983 1.322 5.450 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.649 3.427 6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.890 1.852 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.333 3.524 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.493 2.459 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.290 3.255 2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.498 5.328 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.746 4.535 5.406 1.00 0.00 H new ATOM 0 HE ARG A 37 0.047 4.138 3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.335 6.963 4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.064 7.981 4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.814 5.446 2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.840 7.126 3.391 1.00 0.00 H new ATOM 600 N MET A 38 -4.877 0.411 6.051 1.00 0.00 N ATOM 601 CA MET A 38 -6.042 -0.430 6.261 1.00 0.00 C ATOM 602 C MET A 38 -6.307 -0.623 7.738 1.00 0.00 C ATOM 603 O MET A 38 -7.303 -1.213 8.115 1.00 0.00 O ATOM 604 CB MET A 38 -5.888 -1.789 5.586 1.00 0.00 C ATOM 605 CG MET A 38 -5.625 -1.721 4.098 1.00 0.00 C ATOM 606 SD MET A 38 -6.907 -0.843 3.194 1.00 0.00 S ATOM 607 CE MET A 38 -6.346 -1.091 1.514 1.00 0.00 C ATOM 0 H MET A 38 -4.017 -0.100 5.850 1.00 0.00 H new ATOM 0 HA MET A 38 -6.891 0.082 5.808 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.069 -2.327 6.063 1.00 0.00 H new ATOM 0 HB3 MET A 38 -6.794 -2.371 5.756 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.667 -1.230 3.927 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.539 -2.734 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.652 -0.244 0.899 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.259 -1.174 1.502 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.784 -2.006 1.115 1.00 0.00 H new ATOM 617 N SER A 39 -5.430 -0.077 8.572 1.00 0.00 N ATOM 618 CA SER A 39 -5.589 -0.143 10.007 1.00 0.00 C ATOM 619 C SER A 39 -6.598 0.930 10.448 1.00 0.00 C ATOM 620 O SER A 39 -6.952 1.031 11.620 1.00 0.00 O ATOM 621 CB SER A 39 -4.227 0.027 10.713 1.00 0.00 C ATOM 622 OG SER A 39 -4.300 -0.274 12.103 1.00 0.00 O ATOM 0 H SER A 39 -4.594 0.421 8.267 1.00 0.00 H new ATOM 0 HA SER A 39 -5.974 -1.122 10.292 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.491 -0.623 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.878 1.051 10.583 1.00 0.00 H new ATOM 0 HG SER A 39 -5.118 0.113 12.479 1.00 0.00 H new ATOM 628 N SER A 40 -7.043 1.737 9.490 1.00 0.00 N ATOM 629 CA SER A 40 -8.109 2.679 9.717 1.00 0.00 C ATOM 630 C SER A 40 -9.405 1.870 9.785 1.00 0.00 C ATOM 631 O SER A 40 -10.366 2.228 10.470 1.00 0.00 O ATOM 632 CB SER A 40 -8.157 3.682 8.548 1.00 0.00 C ATOM 633 OG SER A 40 -9.134 4.696 8.737 1.00 0.00 O ATOM 0 H SER A 40 -6.670 1.749 8.541 1.00 0.00 H new ATOM 0 HA SER A 40 -7.962 3.242 10.639 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.177 4.144 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.369 3.146 7.623 1.00 0.00 H new ATOM 0 HG SER A 40 -9.124 5.307 7.971 1.00 0.00 H new ATOM 639 N PHE A 41 -9.384 0.763 9.078 1.00 0.00 N ATOM 640 CA PHE A 41 -10.482 -0.159 8.979 1.00 0.00 C ATOM 641 C PHE A 41 -10.082 -1.417 9.721 1.00 0.00 C ATOM 642 O PHE A 41 -9.085 -1.425 10.450 1.00 0.00 O ATOM 643 CB PHE A 41 -10.682 -0.508 7.494 1.00 0.00 C ATOM 644 CG PHE A 41 -10.617 0.687 6.611 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.569 0.824 5.733 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.552 1.699 6.702 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.446 1.938 4.962 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.441 2.819 5.922 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.382 2.938 5.055 1.00 0.00 C ATOM 0 H PHE A 41 -8.569 0.473 8.538 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.397 0.265 9.393 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.919 -1.224 7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.648 -0.997 7.367 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.833 0.037 5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.377 1.607 7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.615 2.035 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.181 3.603 5.988 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.285 3.823 4.443 1.00 0.00 H new ATOM 659 N GLU A 42 -10.852 -2.443 9.571 1.00 0.00 N ATOM 660 CA GLU A 42 -10.524 -3.728 10.095 1.00 0.00 C ATOM 661 C GLU A 42 -10.570 -4.726 8.963 1.00 0.00 C ATOM 662 O GLU A 42 -11.628 -5.269 8.616 1.00 0.00 O ATOM 663 CB GLU A 42 -11.447 -4.110 11.240 1.00 0.00 C ATOM 664 CG GLU A 42 -11.335 -3.159 12.409 1.00 0.00 C ATOM 665 CD GLU A 42 -12.213 -3.535 13.547 1.00 0.00 C ATOM 666 OE1 GLU A 42 -11.850 -4.428 14.310 1.00 0.00 O ATOM 667 OE2 GLU A 42 -13.281 -2.924 13.708 1.00 0.00 O ATOM 0 H GLU A 42 -11.742 -2.412 9.073 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.519 -3.715 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.477 -4.125 10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.210 -5.121 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.300 -3.130 12.749 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.590 -2.152 12.078 1.00 0.00 H new ATOM 674 N ILE A 43 -9.444 -4.879 8.327 1.00 0.00 N ATOM 675 CA ILE A 43 -9.297 -5.716 7.162 1.00 0.00 C ATOM 676 C ILE A 43 -8.521 -6.967 7.528 1.00 0.00 C ATOM 677 O ILE A 43 -7.461 -6.895 8.155 1.00 0.00 O ATOM 678 CB ILE A 43 -8.543 -4.929 6.052 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.235 -3.597 5.783 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.411 -5.724 4.766 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.650 -3.729 5.296 1.00 0.00 C ATOM 0 H ILE A 43 -8.580 -4.416 8.608 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.281 -6.004 6.793 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.534 -4.744 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.231 -3.006 6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.658 -3.043 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.877 -5.130 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.858 -6.643 4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.403 -5.971 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.071 -2.738 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.662 -4.291 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.245 -4.254 6.044 1.00 0.00 H new ATOM 693 N GLU A 44 -9.068 -8.097 7.154 1.00 0.00 N ATOM 694 CA GLU A 44 -8.472 -9.409 7.413 1.00 0.00 C ATOM 695 C GLU A 44 -7.311 -9.638 6.457 1.00 0.00 C ATOM 696 O GLU A 44 -7.179 -8.933 5.452 1.00 0.00 O ATOM 697 CB GLU A 44 -9.493 -10.514 7.148 1.00 0.00 C ATOM 698 CG GLU A 44 -10.787 -10.421 7.920 1.00 0.00 C ATOM 699 CD GLU A 44 -11.755 -11.489 7.478 1.00 0.00 C ATOM 700 OE1 GLU A 44 -12.455 -11.287 6.483 1.00 0.00 O ATOM 701 OE2 GLU A 44 -11.809 -12.563 8.103 1.00 0.00 O ATOM 0 H GLU A 44 -9.955 -8.145 6.652 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.141 -9.433 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.728 -10.516 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.027 -11.473 7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.587 -10.525 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.233 -9.437 7.773 1.00 0.00 H new ATOM 708 N SER A 45 -6.528 -10.651 6.729 1.00 0.00 N ATOM 709 CA SER A 45 -5.432 -11.038 5.877 1.00 0.00 C ATOM 710 C SER A 45 -5.994 -11.559 4.539 1.00 0.00 C ATOM 711 O SER A 45 -5.413 -11.339 3.475 1.00 0.00 O ATOM 712 CB SER A 45 -4.575 -12.105 6.592 1.00 0.00 C ATOM 713 OG SER A 45 -3.427 -12.460 5.843 1.00 0.00 O ATOM 0 H SER A 45 -6.635 -11.237 7.557 1.00 0.00 H new ATOM 0 HA SER A 45 -4.790 -10.182 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.268 -11.728 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.180 -12.994 6.770 1.00 0.00 H new ATOM 0 HG SER A 45 -2.913 -13.136 6.332 1.00 0.00 H new ATOM 719 N ASP A 46 -7.178 -12.178 4.599 1.00 0.00 N ATOM 720 CA ASP A 46 -7.846 -12.709 3.404 1.00 0.00 C ATOM 721 C ASP A 46 -8.282 -11.543 2.552 1.00 0.00 C ATOM 722 O ASP A 46 -8.088 -11.517 1.338 1.00 0.00 O ATOM 723 CB ASP A 46 -9.088 -13.528 3.784 1.00 0.00 C ATOM 724 CG ASP A 46 -8.805 -14.666 4.732 1.00 0.00 C ATOM 725 OD1 ASP A 46 -8.421 -15.764 4.284 1.00 0.00 O ATOM 726 OD2 ASP A 46 -8.981 -14.475 5.958 1.00 0.00 O ATOM 0 H ASP A 46 -7.696 -12.324 5.466 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.153 -13.357 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.823 -12.864 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.538 -13.928 2.876 1.00 0.00 H new ATOM 731 N GLN A 47 -8.839 -10.544 3.230 1.00 0.00 N ATOM 732 CA GLN A 47 -9.288 -9.331 2.598 1.00 0.00 C ATOM 733 C GLN A 47 -8.125 -8.578 1.979 1.00 0.00 C ATOM 734 O GLN A 47 -8.248 -7.960 0.916 1.00 0.00 O ATOM 735 CB GLN A 47 -9.985 -8.469 3.593 1.00 0.00 C ATOM 736 CG GLN A 47 -11.246 -9.090 4.067 1.00 0.00 C ATOM 737 CD GLN A 47 -12.045 -8.174 4.902 1.00 0.00 C ATOM 738 OE1 GLN A 47 -11.991 -6.960 4.758 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.769 -8.718 5.780 1.00 0.00 N ATOM 0 H GLN A 47 -8.988 -10.564 4.239 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.983 -9.596 1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.327 -8.288 4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.202 -7.499 3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.839 -9.404 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.013 -9.988 4.639 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.787 -9.734 5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.337 -8.142 6.401 1.00 0.00 H new ATOM 748 N MET A 48 -6.991 -8.624 2.665 1.00 0.00 N ATOM 749 CA MET A 48 -5.762 -8.037 2.168 1.00 0.00 C ATOM 750 C MET A 48 -5.272 -8.732 0.914 1.00 0.00 C ATOM 751 O MET A 48 -4.858 -8.064 -0.030 1.00 0.00 O ATOM 752 CB MET A 48 -4.654 -8.013 3.235 1.00 0.00 C ATOM 753 CG MET A 48 -4.750 -6.894 4.278 1.00 0.00 C ATOM 754 SD MET A 48 -4.091 -5.275 3.723 1.00 0.00 S ATOM 755 CE MET A 48 -5.145 -4.835 2.338 1.00 0.00 C ATOM 0 H MET A 48 -6.901 -9.069 3.579 1.00 0.00 H new ATOM 0 HA MET A 48 -6.001 -7.004 1.914 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.658 -8.970 3.757 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.692 -7.930 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.795 -6.768 4.562 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.211 -7.203 5.174 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.988 -3.788 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.899 -5.461 1.480 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.189 -4.989 2.612 1.00 0.00 H new ATOM 765 N ASP A 49 -5.345 -10.064 0.893 1.00 0.00 N ATOM 766 CA ASP A 49 -4.889 -10.858 -0.268 1.00 0.00 C ATOM 767 C ASP A 49 -5.680 -10.501 -1.500 1.00 0.00 C ATOM 768 O ASP A 49 -5.133 -10.455 -2.609 1.00 0.00 O ATOM 769 CB ASP A 49 -4.991 -12.355 -0.005 1.00 0.00 C ATOM 770 CG ASP A 49 -4.342 -13.201 -1.097 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.033 -13.614 -2.037 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.120 -13.484 -1.011 1.00 0.00 O ATOM 0 H ASP A 49 -5.714 -10.623 1.662 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.839 -10.615 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.519 -12.583 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.042 -12.631 0.084 1.00 0.00 H new ATOM 777 N GLU A 50 -6.965 -10.198 -1.300 1.00 0.00 N ATOM 778 CA GLU A 50 -7.817 -9.758 -2.391 1.00 0.00 C ATOM 779 C GLU A 50 -7.217 -8.513 -3.036 1.00 0.00 C ATOM 780 O GLU A 50 -7.072 -8.423 -4.257 1.00 0.00 O ATOM 781 CB GLU A 50 -9.222 -9.405 -1.914 1.00 0.00 C ATOM 782 CG GLU A 50 -10.014 -10.530 -1.303 1.00 0.00 C ATOM 783 CD GLU A 50 -11.398 -10.072 -0.933 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.625 -9.704 0.249 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.267 -10.032 -1.817 1.00 0.00 O ATOM 0 H GLU A 50 -7.431 -10.251 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.882 -10.583 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.144 -8.602 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.783 -9.010 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.077 -11.360 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.500 -10.902 -0.417 1.00 0.00 H new ATOM 792 N TYR A 51 -6.836 -7.573 -2.195 1.00 0.00 N ATOM 793 CA TYR A 51 -6.262 -6.332 -2.647 1.00 0.00 C ATOM 794 C TYR A 51 -4.885 -6.584 -3.252 1.00 0.00 C ATOM 795 O TYR A 51 -4.498 -5.908 -4.202 1.00 0.00 O ATOM 796 CB TYR A 51 -6.215 -5.330 -1.509 1.00 0.00 C ATOM 797 CG TYR A 51 -5.649 -3.991 -1.895 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.655 -3.408 -1.135 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.087 -3.316 -3.040 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.110 -2.202 -1.487 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.543 -2.111 -3.383 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.562 -1.564 -2.608 1.00 0.00 C ATOM 803 OH TYR A 51 -4.012 -0.386 -2.969 1.00 0.00 O ATOM 0 H TYR A 51 -6.917 -7.652 -1.181 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.889 -5.903 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.224 -5.188 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.617 -5.745 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.301 -3.912 -0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.860 -3.751 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.331 -1.759 -0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.888 -1.592 -4.265 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.658 0.336 -2.821 1.00 0.00 H new ATOM 813 N TYR A 52 -4.145 -7.541 -2.718 1.00 0.00 N ATOM 814 CA TYR A 52 -2.815 -7.860 -3.232 1.00 0.00 C ATOM 815 C TYR A 52 -2.878 -8.331 -4.673 1.00 0.00 C ATOM 816 O TYR A 52 -2.078 -7.902 -5.511 1.00 0.00 O ATOM 817 CB TYR A 52 -2.061 -8.875 -2.351 1.00 0.00 C ATOM 818 CG TYR A 52 -1.788 -8.397 -0.937 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.519 -7.063 -0.665 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.799 -9.282 0.127 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.282 -6.636 0.617 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.559 -8.854 1.412 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.306 -7.533 1.652 1.00 0.00 C ATOM 824 OH TYR A 52 -1.066 -7.103 2.941 1.00 0.00 O ATOM 0 H TYR A 52 -4.439 -8.114 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.244 -6.932 -3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.640 -9.797 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.112 -9.118 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.496 -6.350 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.000 -10.327 -0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.077 -5.593 0.810 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.571 -9.560 2.229 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.834 -6.586 3.262 1.00 0.00 H new ATOM 834 N GLU A 53 -3.874 -9.173 -4.966 1.00 0.00 N ATOM 835 CA GLU A 53 -4.109 -9.662 -6.315 1.00 0.00 C ATOM 836 C GLU A 53 -4.438 -8.487 -7.228 1.00 0.00 C ATOM 837 O GLU A 53 -3.903 -8.374 -8.331 1.00 0.00 O ATOM 838 CB GLU A 53 -5.287 -10.642 -6.313 1.00 0.00 C ATOM 839 CG GLU A 53 -5.544 -11.298 -7.660 1.00 0.00 C ATOM 840 CD GLU A 53 -4.454 -12.262 -8.046 1.00 0.00 C ATOM 841 OE1 GLU A 53 -3.335 -11.821 -8.404 1.00 0.00 O ATOM 842 OE2 GLU A 53 -4.694 -13.497 -7.999 1.00 0.00 O ATOM 0 H GLU A 53 -4.533 -9.529 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.214 -10.171 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.100 -11.419 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.187 -10.113 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.497 -11.825 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.632 -10.527 -8.426 1.00 0.00 H new ATOM 849 N PHE A 54 -5.280 -7.591 -6.724 1.00 0.00 N ATOM 850 CA PHE A 54 -5.671 -6.404 -7.437 1.00 0.00 C ATOM 851 C PHE A 54 -4.437 -5.571 -7.803 1.00 0.00 C ATOM 852 O PHE A 54 -4.262 -5.169 -8.956 1.00 0.00 O ATOM 853 CB PHE A 54 -6.659 -5.587 -6.587 1.00 0.00 C ATOM 854 CG PHE A 54 -6.884 -4.207 -7.094 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.772 -3.951 -8.114 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.171 -3.166 -6.554 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.933 -2.666 -8.583 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.328 -1.899 -7.007 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.200 -1.640 -8.016 1.00 0.00 C ATOM 0 H PHE A 54 -5.707 -7.679 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.168 -6.690 -8.364 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.614 -6.112 -6.551 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.286 -5.533 -5.564 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.343 -4.759 -8.547 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.472 -3.360 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.625 -2.462 -9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.759 -1.094 -6.566 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.321 -0.629 -8.376 1.00 0.00 H new ATOM 869 N LEU A 55 -3.596 -5.318 -6.814 1.00 0.00 N ATOM 870 CA LEU A 55 -2.361 -4.571 -7.003 1.00 0.00 C ATOM 871 C LEU A 55 -1.469 -5.221 -8.050 1.00 0.00 C ATOM 872 O LEU A 55 -0.874 -4.541 -8.902 1.00 0.00 O ATOM 873 CB LEU A 55 -1.619 -4.421 -5.686 1.00 0.00 C ATOM 874 CG LEU A 55 -2.248 -3.478 -4.683 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.513 -3.547 -3.368 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.215 -2.059 -5.219 1.00 0.00 C ATOM 0 H LEU A 55 -3.750 -5.625 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.628 -3.579 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.530 -5.405 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.607 -4.075 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.284 -3.777 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.976 -2.864 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.560 -4.564 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.471 -3.263 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.669 -1.385 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.182 -1.760 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.771 -2.011 -6.156 1.00 0.00 H new ATOM 888 N GLY A 56 -1.395 -6.538 -7.964 1.00 0.00 N ATOM 889 CA GLY A 56 -0.623 -7.318 -8.899 1.00 0.00 C ATOM 890 C GLY A 56 -1.126 -7.156 -10.315 1.00 0.00 C ATOM 891 O GLY A 56 -0.318 -7.037 -11.253 1.00 0.00 O ATOM 0 H GLY A 56 -1.867 -7.088 -7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.423 -7.016 -8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.665 -8.370 -8.617 1.00 0.00 H new ATOM 895 N GLU A 57 -2.455 -7.124 -10.476 1.00 0.00 N ATOM 896 CA GLU A 57 -3.085 -6.912 -11.753 1.00 0.00 C ATOM 897 C GLU A 57 -2.706 -5.560 -12.331 1.00 0.00 C ATOM 898 O GLU A 57 -2.488 -5.428 -13.528 1.00 0.00 O ATOM 899 CB GLU A 57 -4.593 -6.922 -11.613 1.00 0.00 C ATOM 900 CG GLU A 57 -5.252 -8.237 -11.279 1.00 0.00 C ATOM 901 CD GLU A 57 -6.758 -8.084 -11.276 1.00 0.00 C ATOM 902 OE1 GLU A 57 -7.348 -7.842 -12.360 1.00 0.00 O ATOM 903 OE2 GLU A 57 -7.395 -8.182 -10.217 1.00 0.00 O ATOM 0 H GLU A 57 -3.115 -7.247 -9.708 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.748 -7.716 -12.407 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.864 -6.204 -10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.020 -6.559 -12.548 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.958 -8.994 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.913 -8.584 -10.303 1.00 0.00 H new ATOM 910 N GLN A 58 -2.621 -4.550 -11.467 1.00 0.00 N ATOM 911 CA GLN A 58 -2.344 -3.191 -11.899 1.00 0.00 C ATOM 912 C GLN A 58 -0.861 -3.063 -12.236 1.00 0.00 C ATOM 913 O GLN A 58 -0.501 -2.557 -13.299 1.00 0.00 O ATOM 914 CB GLN A 58 -2.708 -2.206 -10.779 1.00 0.00 C ATOM 915 CG GLN A 58 -4.147 -2.308 -10.278 1.00 0.00 C ATOM 916 CD GLN A 58 -5.183 -1.938 -11.320 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.576 -0.783 -11.427 1.00 0.00 O ATOM 918 NE2 GLN A 58 -5.646 -2.902 -12.071 1.00 0.00 N ATOM 0 H GLN A 58 -2.741 -4.653 -10.459 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.940 -2.961 -12.782 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.033 -2.368 -9.938 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.534 -1.191 -11.136 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.333 -3.327 -9.940 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.268 -1.658 -9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.295 -3.853 -11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.358 -2.704 -12.774 1.00 0.00 H new ATOM 927 N GLY A 59 -0.015 -3.497 -11.343 1.00 0.00 N ATOM 928 CA GLY A 59 1.409 -3.484 -11.611 1.00 0.00 C ATOM 929 C GLY A 59 2.207 -3.080 -10.404 1.00 0.00 C ATOM 930 O GLY A 59 2.956 -2.094 -10.435 1.00 0.00 O ATOM 0 H GLY A 59 -0.277 -3.863 -10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.725 -4.474 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.617 -2.795 -12.430 1.00 0.00 H new ATOM 934 N VAL A 60 2.023 -3.807 -9.326 1.00 0.00 N ATOM 935 CA VAL A 60 2.712 -3.546 -8.075 1.00 0.00 C ATOM 936 C VAL A 60 3.126 -4.871 -7.464 1.00 0.00 C ATOM 937 O VAL A 60 2.310 -5.795 -7.348 1.00 0.00 O ATOM 938 CB VAL A 60 1.791 -2.825 -7.043 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.576 -2.448 -5.798 1.00 0.00 C ATOM 940 CG2 VAL A 60 1.101 -1.604 -7.642 1.00 0.00 C ATOM 0 H VAL A 60 1.387 -4.603 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 60 3.568 -2.907 -8.294 1.00 0.00 H new ATOM 0 HB VAL A 60 1.007 -3.528 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.916 -1.946 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.984 -3.348 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.392 -1.779 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.471 -1.135 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.853 -0.891 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.486 -1.912 -8.487 1.00 0.00 H new ATOM 950 N GLU A 61 4.373 -4.972 -7.115 1.00 0.00 N ATOM 951 CA GLU A 61 4.878 -6.128 -6.426 1.00 0.00 C ATOM 952 C GLU A 61 4.758 -5.884 -4.949 1.00 0.00 C ATOM 953 O GLU A 61 4.999 -4.770 -4.484 1.00 0.00 O ATOM 954 CB GLU A 61 6.323 -6.364 -6.813 1.00 0.00 C ATOM 955 CG GLU A 61 6.476 -6.710 -8.268 1.00 0.00 C ATOM 956 CD GLU A 61 7.916 -6.814 -8.694 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.530 -7.873 -8.497 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.470 -5.823 -9.238 1.00 0.00 O ATOM 0 H GLU A 61 5.074 -4.254 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 61 4.306 -7.015 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.907 -5.470 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.732 -7.171 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.974 -7.657 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.977 -5.952 -8.872 1.00 0.00 H new ATOM 965 N LEU A 62 4.318 -6.853 -4.215 1.00 0.00 N ATOM 966 CA LEU A 62 4.189 -6.671 -2.809 1.00 0.00 C ATOM 967 C LEU A 62 5.304 -7.366 -2.059 1.00 0.00 C ATOM 968 O LEU A 62 5.390 -8.597 -2.047 1.00 0.00 O ATOM 969 CB LEU A 62 2.840 -7.162 -2.297 1.00 0.00 C ATOM 970 CG LEU A 62 1.577 -6.628 -2.974 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.655 -5.157 -3.304 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.136 -7.469 -4.152 1.00 0.00 C ATOM 0 H LEU A 62 4.044 -7.772 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 62 4.257 -5.599 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.828 -8.249 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.778 -6.920 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 62 0.788 -6.721 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.728 -4.842 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.803 -4.586 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.491 -4.980 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.235 -7.039 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.928 -7.491 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.927 -8.485 -3.816 1.00 0.00 H new ATOM 984 N ILE A 63 6.156 -6.585 -1.449 1.00 0.00 N ATOM 985 CA ILE A 63 7.214 -7.119 -0.623 1.00 0.00 C ATOM 986 C ILE A 63 6.753 -7.134 0.821 1.00 0.00 C ATOM 987 O ILE A 63 5.679 -6.641 1.127 1.00 0.00 O ATOM 988 CB ILE A 63 8.542 -6.323 -0.737 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.343 -4.846 -0.429 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.142 -6.485 -2.095 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.616 -4.019 -0.500 1.00 0.00 C ATOM 0 H ILE A 63 6.139 -5.567 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 63 7.423 -8.128 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 63 9.227 -6.732 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.616 -4.435 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.915 -4.749 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.072 -5.919 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.348 -7.540 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.445 -6.115 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.388 -2.979 -0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.339 -4.401 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.036 -4.083 -1.504 1.00 0.00 H new