USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 411 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 14 TYR OH : rot 120:sc= 0.781 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.0674 K(o=0.71,f=-0.015) USER MOD Single : A 12 THR OG1 : rot 32:sc= 0.135 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.51! C(o=-5.5!,f=-5.8!) USER MOD Single : A 23 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 27 GLN : amide:sc= -4.79 K(o=-4.8,f=-9.8!) USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= -0.113 (180deg=-0.667) USER MOD Single : A 29 THR OG1 : rot -139:sc= 1.2 USER MOD Single : A 30 GLN : amide:sc= -0.102 K(o=-0.1,f=-3.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0226 K(o=-0.023,f=-0.69) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0404) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0236 K(o=-0.024,f=-1.6!) USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= -0.73 (180deg=-2.75!) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.498 11.921 -5.506 1.00 0.00 N ATOM 151 CA THR A 12 0.203 10.759 -4.976 1.00 0.00 C ATOM 152 C THR A 12 -0.144 9.501 -5.764 1.00 0.00 C ATOM 153 O THR A 12 -1.201 9.422 -6.392 1.00 0.00 O ATOM 154 CB THR A 12 -0.133 10.529 -3.490 1.00 0.00 C ATOM 155 OG1 THR A 12 0.091 11.732 -2.746 1.00 0.00 O ATOM 156 CG2 THR A 12 0.711 9.404 -2.912 1.00 0.00 C ATOM 0 HA THR A 12 1.269 10.963 -5.072 1.00 0.00 H new ATOM 0 HB THR A 12 -1.183 10.247 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.090 12.508 -3.317 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.456 9.260 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.516 8.483 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.767 9.661 -2.997 1.00 0.00 H new ATOM 164 N ILE A 13 0.750 8.519 -5.727 1.00 0.00 N ATOM 165 CA ILE A 13 0.536 7.264 -6.436 1.00 0.00 C ATOM 166 C ILE A 13 -0.812 6.650 -6.074 1.00 0.00 C ATOM 167 O ILE A 13 -1.317 5.776 -6.778 1.00 0.00 O ATOM 168 CB ILE A 13 1.651 6.246 -6.128 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.021 6.843 -6.455 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.426 4.962 -6.912 1.00 0.00 C ATOM 171 CD1 ILE A 13 4.167 6.140 -5.762 1.00 0.00 C ATOM 0 H ILE A 13 1.630 8.568 -5.213 1.00 0.00 H new ATOM 0 HA ILE A 13 0.552 7.497 -7.501 1.00 0.00 H new ATOM 0 HB ILE A 13 1.623 6.009 -5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.178 6.802 -7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.027 7.896 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.221 4.252 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.464 4.530 -6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.431 5.182 -7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.107 6.616 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.033 6.204 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.187 5.093 -6.064 1.00 0.00 H new ATOM 183 N TYR A 14 -1.390 7.115 -4.972 1.00 0.00 N ATOM 184 CA TYR A 14 -2.679 6.611 -4.514 1.00 0.00 C ATOM 185 C TYR A 14 -3.551 7.747 -3.985 1.00 0.00 C ATOM 186 O TYR A 14 -3.052 8.700 -3.387 1.00 0.00 O ATOM 187 CB TYR A 14 -2.481 5.555 -3.426 1.00 0.00 C ATOM 188 CG TYR A 14 -2.047 4.209 -3.961 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.747 4.001 -4.403 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.938 3.144 -4.023 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.347 2.773 -4.893 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.546 1.912 -4.510 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.250 1.732 -4.944 1.00 0.00 C ATOM 194 OH TYR A 14 -0.854 0.507 -5.430 1.00 0.00 O ATOM 0 H TYR A 14 -0.986 7.840 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.185 6.154 -5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.735 5.912 -2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.413 5.434 -2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.036 4.813 -4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.954 3.282 -3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.667 2.629 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.251 1.095 -4.550 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.972 -0.174 -4.736 1.00 0.00 H new ATOM 204 N SER A 15 -4.856 7.636 -4.209 1.00 0.00 N ATOM 205 CA SER A 15 -5.798 8.653 -3.758 1.00 0.00 C ATOM 206 C SER A 15 -5.886 8.675 -2.235 1.00 0.00 C ATOM 207 O SER A 15 -5.681 7.656 -1.576 1.00 0.00 O ATOM 208 CB SER A 15 -7.182 8.398 -4.357 1.00 0.00 C ATOM 209 OG SER A 15 -8.062 9.476 -4.087 1.00 0.00 O ATOM 0 H SER A 15 -5.285 6.852 -4.700 1.00 0.00 H new ATOM 0 HA SER A 15 -5.437 9.624 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.095 8.257 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.595 7.476 -3.947 1.00 0.00 H new ATOM 0 HG SER A 15 -8.939 9.289 -4.482 1.00 0.00 H new ATOM 215 N SER A 16 -6.193 9.844 -1.683 1.00 0.00 N ATOM 216 CA SER A 16 -6.305 10.001 -0.237 1.00 0.00 C ATOM 217 C SER A 16 -7.324 9.022 0.338 1.00 0.00 C ATOM 218 O SER A 16 -7.147 8.498 1.438 1.00 0.00 O ATOM 219 CB SER A 16 -6.706 11.436 0.112 1.00 0.00 C ATOM 220 OG SER A 16 -7.949 11.776 -0.478 1.00 0.00 O ATOM 0 H SER A 16 -6.369 10.697 -2.215 1.00 0.00 H new ATOM 0 HA SER A 16 -5.332 9.786 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.772 11.546 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.936 12.126 -0.232 1.00 0.00 H new ATOM 0 HG SER A 16 -8.184 12.697 -0.239 1.00 0.00 H new ATOM 226 N PHE A 17 -8.393 8.779 -0.415 1.00 0.00 N ATOM 227 CA PHE A 17 -9.442 7.864 0.019 1.00 0.00 C ATOM 228 C PHE A 17 -8.934 6.426 0.041 1.00 0.00 C ATOM 229 O PHE A 17 -9.081 5.720 1.038 1.00 0.00 O ATOM 230 CB PHE A 17 -10.658 7.975 -0.903 1.00 0.00 C ATOM 231 CG PHE A 17 -11.598 6.808 -0.797 1.00 0.00 C ATOM 232 CD1 PHE A 17 -11.315 5.612 -1.437 1.00 0.00 C ATOM 233 CD2 PHE A 17 -12.766 6.908 -0.057 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.179 4.537 -1.341 1.00 0.00 C ATOM 235 CE2 PHE A 17 -13.633 5.836 0.043 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.339 4.650 -0.601 1.00 0.00 C ATOM 0 H PHE A 17 -8.555 9.203 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.737 8.141 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.200 8.891 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.316 8.063 -1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.409 5.519 -2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.001 7.834 0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.947 3.610 -1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.539 5.926 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.016 3.812 -0.526 1.00 0.00 H new ATOM 246 N GLN A 18 -8.338 5.999 -1.068 1.00 0.00 N ATOM 247 CA GLN A 18 -7.809 4.644 -1.177 1.00 0.00 C ATOM 248 C GLN A 18 -6.727 4.396 -0.132 1.00 0.00 C ATOM 249 O GLN A 18 -6.596 3.289 0.392 1.00 0.00 O ATOM 250 CB GLN A 18 -7.246 4.405 -2.579 1.00 0.00 C ATOM 251 CG GLN A 18 -8.311 4.356 -3.662 1.00 0.00 C ATOM 252 CD GLN A 18 -7.724 4.206 -5.052 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.707 4.819 -5.378 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.363 3.388 -5.879 1.00 0.00 N ATOM 0 H GLN A 18 -8.209 6.571 -1.903 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.627 3.946 -0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.535 5.197 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.691 3.467 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.986 3.523 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.908 5.267 -3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.202 2.900 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.015 3.247 -6.827 1.00 0.00 H new ATOM 263 N LEU A 19 -5.952 5.433 0.168 1.00 0.00 N ATOM 264 CA LEU A 19 -4.879 5.328 1.151 1.00 0.00 C ATOM 265 C LEU A 19 -5.443 5.238 2.565 1.00 0.00 C ATOM 266 O LEU A 19 -5.113 4.322 3.318 1.00 0.00 O ATOM 267 CB LEU A 19 -3.940 6.530 1.040 1.00 0.00 C ATOM 268 CG LEU A 19 -2.855 6.437 -0.034 1.00 0.00 C ATOM 269 CD1 LEU A 19 -2.179 7.785 -0.228 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.831 5.373 0.334 1.00 0.00 C ATOM 0 H LEU A 19 -6.047 6.356 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.318 4.416 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.541 7.418 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.456 6.678 2.005 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.325 6.151 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.410 7.699 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.920 8.522 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.722 8.101 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.066 5.320 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.366 5.629 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.326 4.406 0.421 1.00 0.00 H new ATOM 282 N ALA A 20 -6.298 6.193 2.918 1.00 0.00 N ATOM 283 CA ALA A 20 -6.911 6.219 4.239 1.00 0.00 C ATOM 284 C ALA A 20 -7.180 4.806 4.748 1.00 0.00 C ATOM 285 O ALA A 20 -7.015 4.521 5.933 1.00 0.00 O ATOM 286 CB ALA A 20 -8.202 7.025 4.207 1.00 0.00 C ATOM 0 H ALA A 20 -6.581 6.959 2.307 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.213 6.698 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.649 7.036 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.985 8.047 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.897 6.570 3.501 1.00 0.00 H new ATOM 292 N ALA A 21 -7.597 3.926 3.843 1.00 0.00 N ATOM 293 CA ALA A 21 -7.887 2.543 4.200 1.00 0.00 C ATOM 294 C ALA A 21 -6.621 1.694 4.181 1.00 0.00 C ATOM 295 O ALA A 21 -6.405 0.862 5.064 1.00 0.00 O ATOM 296 CB ALA A 21 -8.929 1.962 3.256 1.00 0.00 C ATOM 0 H ALA A 21 -7.741 4.147 2.858 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.285 2.531 5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.136 0.929 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.847 2.547 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.552 1.994 2.234 1.00 0.00 H new ATOM 302 N LEU A 22 -5.787 1.907 3.170 1.00 0.00 N ATOM 303 CA LEU A 22 -4.541 1.160 3.035 1.00 0.00 C ATOM 304 C LEU A 22 -3.660 1.343 4.267 1.00 0.00 C ATOM 305 O LEU A 22 -3.293 0.372 4.928 1.00 0.00 O ATOM 306 CB LEU A 22 -3.786 1.610 1.784 1.00 0.00 C ATOM 307 CG LEU A 22 -4.365 1.145 0.447 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.637 1.810 -0.711 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.286 -0.370 0.329 1.00 0.00 C ATOM 0 H LEU A 22 -5.951 2.591 2.431 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.789 0.103 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.746 2.699 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.759 1.253 1.856 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.414 1.438 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.063 1.467 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.746 2.892 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.579 1.549 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.703 -0.683 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.245 -0.686 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.854 -0.828 1.139 1.00 0.00 H new ATOM 321 N GLN A 23 -3.328 2.593 4.570 1.00 0.00 N ATOM 322 CA GLN A 23 -2.492 2.903 5.724 1.00 0.00 C ATOM 323 C GLN A 23 -3.119 2.372 7.009 1.00 0.00 C ATOM 324 O GLN A 23 -2.432 1.805 7.859 1.00 0.00 O ATOM 325 CB GLN A 23 -2.276 4.413 5.834 1.00 0.00 C ATOM 326 CG GLN A 23 -1.207 4.945 4.893 1.00 0.00 C ATOM 327 CD GLN A 23 -0.668 6.295 5.325 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.830 7.294 4.623 1.00 0.00 O ATOM 329 NE2 GLN A 23 -0.024 6.332 6.485 1.00 0.00 N ATOM 0 H GLN A 23 -3.625 3.408 4.033 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.528 2.415 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.217 4.922 5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.000 4.658 6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.386 4.230 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.622 5.028 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.087 5.480 7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.360 7.213 6.827 1.00 0.00 H new ATOM 338 N ARG A 24 -4.428 2.561 7.144 1.00 0.00 N ATOM 339 CA ARG A 24 -5.147 2.103 8.327 1.00 0.00 C ATOM 340 C ARG A 24 -5.211 0.579 8.368 1.00 0.00 C ATOM 341 O ARG A 24 -5.412 -0.016 9.427 1.00 0.00 O ATOM 342 CB ARG A 24 -6.563 2.684 8.345 1.00 0.00 C ATOM 343 CG ARG A 24 -6.663 4.019 9.064 1.00 0.00 C ATOM 344 CD ARG A 24 -5.605 4.996 8.575 1.00 0.00 C ATOM 345 NE ARG A 24 -5.373 6.076 9.531 1.00 0.00 N ATOM 346 CZ ARG A 24 -4.555 5.971 10.573 1.00 0.00 C ATOM 347 NH1 ARG A 24 -3.895 4.843 10.791 1.00 0.00 N ATOM 348 NH2 ARG A 24 -4.397 6.998 11.398 1.00 0.00 N ATOM 0 H ARG A 24 -5.011 3.028 6.450 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.607 2.451 9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.910 2.806 7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.233 1.971 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.654 4.445 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.549 3.865 10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.672 4.461 8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.916 5.418 7.619 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.865 6.958 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.014 4.052 10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.268 4.766 11.592 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.903 7.868 11.232 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.769 6.918 12.198 1.00 0.00 H new ATOM 362 N ARG A 25 -5.039 -0.047 7.208 1.00 0.00 N ATOM 363 CA ARG A 25 -5.079 -1.501 7.111 1.00 0.00 C ATOM 364 C ARG A 25 -3.697 -2.100 7.353 1.00 0.00 C ATOM 365 O ARG A 25 -3.569 -3.178 7.933 1.00 0.00 O ATOM 366 CB ARG A 25 -5.598 -1.928 5.737 1.00 0.00 C ATOM 367 CG ARG A 25 -5.945 -3.405 5.648 1.00 0.00 C ATOM 368 CD ARG A 25 -7.181 -3.737 6.469 1.00 0.00 C ATOM 369 NE ARG A 25 -8.409 -3.292 5.815 1.00 0.00 N ATOM 370 CZ ARG A 25 -8.942 -2.088 5.993 1.00 0.00 C ATOM 371 NH1 ARG A 25 -8.359 -1.214 6.802 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.061 -1.757 5.362 1.00 0.00 N ATOM 0 H ARG A 25 -4.871 0.430 6.322 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.757 -1.873 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.483 -1.340 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.844 -1.695 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.115 -3.678 4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.102 -4.000 6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.228 -4.813 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.102 -3.267 7.449 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.883 -3.941 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.499 -1.465 7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.770 -0.290 6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.513 -2.427 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.470 -0.833 5.499 1.00 0.00 H new ATOM 386 N PHE A 26 -2.665 -1.393 6.904 1.00 0.00 N ATOM 387 CA PHE A 26 -1.292 -1.856 7.070 1.00 0.00 C ATOM 388 C PHE A 26 -0.976 -2.104 8.542 1.00 0.00 C ATOM 389 O PHE A 26 -0.602 -3.211 8.929 1.00 0.00 O ATOM 390 CB PHE A 26 -0.313 -0.831 6.493 1.00 0.00 C ATOM 391 CG PHE A 26 1.121 -1.278 6.542 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.524 -2.428 5.883 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.064 -0.548 7.247 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.842 -2.842 5.925 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.383 -0.957 7.292 1.00 0.00 C ATOM 396 CZ PHE A 26 3.773 -2.106 6.632 1.00 0.00 C ATOM 0 H PHE A 26 -2.753 -0.498 6.423 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.184 -2.796 6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.585 -0.623 5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.413 0.105 7.043 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.800 -3.008 5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.765 0.350 7.767 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.144 -3.740 5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.109 -0.378 7.843 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.803 -2.428 6.669 1.00 0.00 H new ATOM 406 N GLN A 27 -1.129 -1.066 9.358 1.00 0.00 N ATOM 407 CA GLN A 27 -0.859 -1.170 10.787 1.00 0.00 C ATOM 408 C GLN A 27 -1.436 -2.462 11.356 1.00 0.00 C ATOM 409 O GLN A 27 -0.758 -3.190 12.083 1.00 0.00 O ATOM 410 CB GLN A 27 -1.444 0.033 11.527 1.00 0.00 C ATOM 411 CG GLN A 27 -2.849 0.401 11.076 1.00 0.00 C ATOM 412 CD GLN A 27 -3.924 -0.276 11.903 1.00 0.00 C ATOM 413 OE1 GLN A 27 -4.653 -1.136 11.410 1.00 0.00 O ATOM 414 NE2 GLN A 27 -4.027 0.110 13.170 1.00 0.00 N ATOM 0 H GLN A 27 -1.439 -0.143 9.054 1.00 0.00 H new ATOM 0 HA GLN A 27 0.222 -1.183 10.927 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.459 -0.181 12.596 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.788 0.892 11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.975 1.482 11.138 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.974 0.125 10.029 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.401 0.827 13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.732 -0.311 13.776 1.00 0.00 H new ATOM 423 N LYS A 28 -2.691 -2.742 11.022 1.00 0.00 N ATOM 424 CA LYS A 28 -3.360 -3.947 11.499 1.00 0.00 C ATOM 425 C LYS A 28 -2.495 -5.180 11.258 1.00 0.00 C ATOM 426 O LYS A 28 -2.324 -6.015 12.148 1.00 0.00 O ATOM 427 CB LYS A 28 -4.712 -4.114 10.801 1.00 0.00 C ATOM 428 CG LYS A 28 -5.702 -4.955 11.588 1.00 0.00 C ATOM 429 CD LYS A 28 -6.379 -4.143 12.680 1.00 0.00 C ATOM 430 CE LYS A 28 -6.892 -5.035 13.801 1.00 0.00 C ATOM 431 NZ LYS A 28 -5.782 -5.734 14.506 1.00 0.00 N ATOM 0 H LYS A 28 -3.266 -2.150 10.422 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.522 -3.843 12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.144 -3.129 10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.554 -4.573 9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.456 -5.358 10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.185 -5.806 12.033 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.674 -3.417 13.085 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.209 -3.579 12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.454 -4.433 14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.583 -5.772 13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.075 -5.959 15.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.550 -6.613 14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.944 -5.118 14.531 1.00 0.00 H new ATOM 445 N THR A 29 -1.951 -5.290 10.050 1.00 0.00 N ATOM 446 CA THR A 29 -1.104 -6.421 9.693 1.00 0.00 C ATOM 447 C THR A 29 -0.222 -6.090 8.495 1.00 0.00 C ATOM 448 O THR A 29 -0.665 -5.442 7.547 1.00 0.00 O ATOM 449 CB THR A 29 -1.944 -7.671 9.369 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.137 -8.640 8.691 1.00 0.00 O ATOM 451 CG2 THR A 29 -3.143 -7.309 8.507 1.00 0.00 C ATOM 0 H THR A 29 -2.082 -4.609 9.302 1.00 0.00 H new ATOM 0 HA THR A 29 -0.474 -6.630 10.557 1.00 0.00 H new ATOM 0 HB THR A 29 -2.306 -8.092 10.307 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.658 -9.053 7.971 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.721 -8.208 8.291 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.770 -6.593 9.038 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.799 -6.866 7.572 1.00 0.00 H new ATOM 459 N GLN A 30 1.027 -6.542 8.543 1.00 0.00 N ATOM 460 CA GLN A 30 1.971 -6.293 7.460 1.00 0.00 C ATOM 461 C GLN A 30 1.609 -7.110 6.224 1.00 0.00 C ATOM 462 O GLN A 30 1.791 -6.658 5.093 1.00 0.00 O ATOM 463 CB GLN A 30 3.395 -6.628 7.908 1.00 0.00 C ATOM 464 CG GLN A 30 4.090 -5.486 8.631 1.00 0.00 C ATOM 465 CD GLN A 30 5.564 -5.754 8.864 1.00 0.00 C ATOM 466 OE1 GLN A 30 6.387 -5.582 7.965 1.00 0.00 O ATOM 467 NE2 GLN A 30 5.904 -6.177 10.075 1.00 0.00 N ATOM 0 H GLN A 30 1.408 -7.082 9.320 1.00 0.00 H new ATOM 0 HA GLN A 30 1.918 -5.235 7.203 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.365 -7.498 8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.985 -6.907 7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.979 -4.571 8.049 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.600 -5.316 9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.188 -6.306 10.790 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.881 -6.373 10.291 1.00 0.00 H new ATOM 476 N TYR A 31 1.095 -8.315 6.447 1.00 0.00 N ATOM 477 CA TYR A 31 0.710 -9.196 5.351 1.00 0.00 C ATOM 478 C TYR A 31 -0.778 -9.527 5.416 1.00 0.00 C ATOM 479 O TYR A 31 -1.300 -9.896 6.469 1.00 0.00 O ATOM 480 CB TYR A 31 1.532 -10.485 5.393 1.00 0.00 C ATOM 481 CG TYR A 31 2.992 -10.262 5.717 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.918 -10.017 4.711 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.446 -10.296 7.030 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.253 -9.813 5.002 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.778 -10.092 7.331 1.00 0.00 C ATOM 486 CZ TYR A 31 5.678 -9.851 6.314 1.00 0.00 C ATOM 487 OH TYR A 31 7.007 -9.649 6.609 1.00 0.00 O ATOM 0 H TYR A 31 0.936 -8.704 7.377 1.00 0.00 H new ATOM 0 HA TYR A 31 0.908 -8.676 4.414 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.102 -11.156 6.136 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.455 -10.987 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.588 -9.985 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.745 -10.485 7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.960 -9.625 4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.113 -10.121 8.357 1.00 0.00 H new ATOM 0 HH TYR A 31 7.139 -9.707 7.578 1.00 0.00 H new ATOM 497 N LEU A 32 -1.457 -9.392 4.282 1.00 0.00 N ATOM 498 CA LEU A 32 -2.885 -9.677 4.206 1.00 0.00 C ATOM 499 C LEU A 32 -3.139 -11.016 3.520 1.00 0.00 C ATOM 500 O LEU A 32 -2.444 -11.379 2.571 1.00 0.00 O ATOM 501 CB LEU A 32 -3.609 -8.560 3.453 1.00 0.00 C ATOM 502 CG LEU A 32 -3.760 -7.235 4.201 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.207 -6.134 3.251 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.745 -7.381 5.352 1.00 0.00 C ATOM 0 H LEU A 32 -1.041 -9.087 3.402 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.273 -9.732 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.074 -8.370 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.603 -8.917 3.182 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.789 -6.960 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.309 -5.198 3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.466 -6.012 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.167 -6.402 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.840 -6.428 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.718 -7.680 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.384 -8.140 6.046 1.00 0.00 H new ATOM 516 N ALA A 33 -4.139 -11.744 4.005 1.00 0.00 N ATOM 517 CA ALA A 33 -4.487 -13.040 3.436 1.00 0.00 C ATOM 518 C ALA A 33 -5.046 -12.888 2.026 1.00 0.00 C ATOM 519 O ALA A 33 -5.101 -11.782 1.485 1.00 0.00 O ATOM 520 CB ALA A 33 -5.489 -13.757 4.329 1.00 0.00 C ATOM 0 H ALA A 33 -4.723 -11.458 4.791 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.578 -13.638 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.740 -14.723 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.053 -13.908 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.393 -13.154 4.419 1.00 0.00 H new ATOM 526 N LEU A 34 -5.459 -14.003 1.435 1.00 0.00 N ATOM 527 CA LEU A 34 -6.013 -13.994 0.085 1.00 0.00 C ATOM 528 C LEU A 34 -7.234 -13.083 0.005 1.00 0.00 C ATOM 529 O LEU A 34 -7.264 -12.110 -0.749 1.00 0.00 O ATOM 530 CB LEU A 34 -6.392 -15.413 -0.341 1.00 0.00 C ATOM 531 CG LEU A 34 -7.608 -15.536 -1.260 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.310 -14.929 -2.623 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.025 -16.993 -1.402 1.00 0.00 C ATOM 0 H LEU A 34 -5.421 -14.925 1.869 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.251 -13.610 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.535 -15.861 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.579 -16.003 0.557 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.435 -14.985 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.186 -15.026 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.061 -13.874 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.469 -15.452 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.892 -17.061 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.202 -17.567 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.281 -17.395 -0.422 1.00 0.00 H new ATOM 545 N PRO A 35 -8.265 -13.404 0.800 1.00 0.00 N ATOM 546 CA PRO A 35 -9.507 -12.625 0.839 1.00 0.00 C ATOM 547 C PRO A 35 -9.312 -11.255 1.479 1.00 0.00 C ATOM 548 O PRO A 35 -10.186 -10.392 1.397 1.00 0.00 O ATOM 549 CB PRO A 35 -10.439 -13.487 1.695 1.00 0.00 C ATOM 550 CG PRO A 35 -9.527 -14.295 2.552 1.00 0.00 C ATOM 551 CD PRO A 35 -8.298 -14.550 1.724 1.00 0.00 C ATOM 0 HA PRO A 35 -9.891 -12.420 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.106 -12.871 2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.068 -14.125 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.276 -13.760 3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.999 -15.232 2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.400 -14.595 2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.364 -15.497 1.188 1.00 0.00 H new ATOM 559 N GLU A 36 -8.161 -11.062 2.115 1.00 0.00 N ATOM 560 CA GLU A 36 -7.853 -9.796 2.769 1.00 0.00 C ATOM 561 C GLU A 36 -7.307 -8.784 1.766 1.00 0.00 C ATOM 562 O GLU A 36 -7.726 -7.627 1.745 1.00 0.00 O ATOM 563 CB GLU A 36 -6.840 -10.011 3.896 1.00 0.00 C ATOM 564 CG GLU A 36 -7.443 -10.624 5.148 1.00 0.00 C ATOM 565 CD GLU A 36 -8.750 -9.967 5.548 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.880 -8.740 5.358 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.643 -10.681 6.052 1.00 0.00 O ATOM 0 H GLU A 36 -7.427 -11.766 2.191 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.777 -9.401 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.039 -10.657 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.386 -9.054 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.611 -11.688 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.731 -10.538 5.969 1.00 0.00 H new ATOM 574 N ARG A 37 -6.369 -9.229 0.936 1.00 0.00 N ATOM 575 CA ARG A 37 -5.764 -8.363 -0.069 1.00 0.00 C ATOM 576 C ARG A 37 -6.799 -7.920 -1.098 1.00 0.00 C ATOM 577 O ARG A 37 -6.794 -6.772 -1.543 1.00 0.00 O ATOM 578 CB ARG A 37 -4.611 -9.086 -0.768 1.00 0.00 C ATOM 579 CG ARG A 37 -3.642 -8.149 -1.471 1.00 0.00 C ATOM 580 CD ARG A 37 -2.294 -8.814 -1.704 1.00 0.00 C ATOM 581 NE ARG A 37 -1.764 -9.419 -0.486 1.00 0.00 N ATOM 582 CZ ARG A 37 -0.872 -10.404 -0.482 1.00 0.00 C ATOM 583 NH1 ARG A 37 -0.414 -10.892 -1.626 1.00 0.00 N ATOM 584 NH2 ARG A 37 -0.437 -10.903 0.668 1.00 0.00 N ATOM 0 H ARG A 37 -6.012 -10.184 0.940 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.376 -7.478 0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.064 -9.676 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.020 -9.785 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.065 -7.836 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.506 -7.248 -0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.396 -9.579 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.586 -8.076 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.097 -9.066 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.746 -10.511 -2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.271 -11.648 -1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.787 -10.531 1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.248 -11.659 0.669 1.00 0.00 H new ATOM 598 N ALA A 38 -7.684 -8.837 -1.473 1.00 0.00 N ATOM 599 CA ALA A 38 -8.726 -8.540 -2.448 1.00 0.00 C ATOM 600 C ALA A 38 -9.729 -7.535 -1.891 1.00 0.00 C ATOM 601 O ALA A 38 -10.383 -6.815 -2.645 1.00 0.00 O ATOM 602 CB ALA A 38 -9.434 -9.818 -2.870 1.00 0.00 C ATOM 0 H ALA A 38 -7.700 -9.792 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.254 -8.094 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.210 -9.581 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.713 -10.503 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.887 -10.288 -1.997 1.00 0.00 H new ATOM 608 N GLU A 39 -9.846 -7.494 -0.568 1.00 0.00 N ATOM 609 CA GLU A 39 -10.772 -6.579 0.089 1.00 0.00 C ATOM 610 C GLU A 39 -10.420 -5.128 -0.230 1.00 0.00 C ATOM 611 O GLU A 39 -11.295 -4.321 -0.547 1.00 0.00 O ATOM 612 CB GLU A 39 -10.753 -6.798 1.603 1.00 0.00 C ATOM 613 CG GLU A 39 -11.998 -6.286 2.307 1.00 0.00 C ATOM 614 CD GLU A 39 -12.045 -6.680 3.771 1.00 0.00 C ATOM 615 OE1 GLU A 39 -10.984 -6.640 4.429 1.00 0.00 O ATOM 616 OE2 GLU A 39 -13.140 -7.029 4.257 1.00 0.00 O ATOM 0 H GLU A 39 -9.311 -8.083 0.070 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.774 -6.784 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.643 -7.863 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.878 -6.301 2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.036 -5.200 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.882 -6.674 1.802 1.00 0.00 H new ATOM 623 N LEU A 40 -9.135 -4.804 -0.144 1.00 0.00 N ATOM 624 CA LEU A 40 -8.666 -3.451 -0.422 1.00 0.00 C ATOM 625 C LEU A 40 -8.850 -3.104 -1.896 1.00 0.00 C ATOM 626 O LEU A 40 -9.115 -1.954 -2.244 1.00 0.00 O ATOM 627 CB LEU A 40 -7.194 -3.310 -0.033 1.00 0.00 C ATOM 628 CG LEU A 40 -6.790 -3.934 1.303 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.318 -3.679 1.588 1.00 0.00 C ATOM 630 CD2 LEU A 40 -7.655 -3.387 2.430 1.00 0.00 C ATOM 0 H LEU A 40 -8.399 -5.460 0.116 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.260 -2.757 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.587 -3.759 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.946 -2.249 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.946 -5.011 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.049 -4.130 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.712 -4.118 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.136 -2.605 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.354 -3.842 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.531 -2.306 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.701 -3.621 2.232 1.00 0.00 H new ATOM 642 N ALA A 41 -8.710 -4.107 -2.757 1.00 0.00 N ATOM 643 CA ALA A 41 -8.865 -3.908 -4.193 1.00 0.00 C ATOM 644 C ALA A 41 -10.338 -3.863 -4.585 1.00 0.00 C ATOM 645 O ALA A 41 -10.716 -3.178 -5.535 1.00 0.00 O ATOM 646 CB ALA A 41 -8.146 -5.009 -4.958 1.00 0.00 C ATOM 0 H ALA A 41 -8.490 -5.065 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.418 -2.948 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.270 -4.848 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.085 -4.992 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.567 -5.977 -4.685 1.00 0.00 H new ATOM 652 N ALA A 42 -11.164 -4.597 -3.848 1.00 0.00 N ATOM 653 CA ALA A 42 -12.596 -4.640 -4.118 1.00 0.00 C ATOM 654 C ALA A 42 -13.324 -3.509 -3.399 1.00 0.00 C ATOM 655 O ALA A 42 -14.394 -3.077 -3.827 1.00 0.00 O ATOM 656 CB ALA A 42 -13.171 -5.987 -3.706 1.00 0.00 C ATOM 0 H ALA A 42 -10.866 -5.170 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.743 -4.508 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.241 -6.005 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.679 -6.780 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.005 -6.143 -2.640 1.00 0.00 H new ATOM 662 N SER A 43 -12.737 -3.035 -2.305 1.00 0.00 N ATOM 663 CA SER A 43 -13.333 -1.957 -1.524 1.00 0.00 C ATOM 664 C SER A 43 -12.838 -0.597 -2.009 1.00 0.00 C ATOM 665 O SER A 43 -13.632 0.278 -2.357 1.00 0.00 O ATOM 666 CB SER A 43 -13.005 -2.132 -0.040 1.00 0.00 C ATOM 667 OG SER A 43 -13.643 -1.139 0.744 1.00 0.00 O ATOM 0 H SER A 43 -11.850 -3.380 -1.939 1.00 0.00 H new ATOM 0 HA SER A 43 -14.414 -2.000 -1.657 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.322 -3.121 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.926 -2.078 0.106 1.00 0.00 H new ATOM 0 HG SER A 43 -13.419 -1.274 1.688 1.00 0.00 H new ATOM 673 N LEU A 44 -11.521 -0.427 -2.029 1.00 0.00 N ATOM 674 CA LEU A 44 -10.917 0.825 -2.471 1.00 0.00 C ATOM 675 C LEU A 44 -11.051 0.991 -3.981 1.00 0.00 C ATOM 676 O LEU A 44 -10.872 2.085 -4.514 1.00 0.00 O ATOM 677 CB LEU A 44 -9.442 0.873 -2.070 1.00 0.00 C ATOM 678 CG LEU A 44 -9.127 0.496 -0.622 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.650 0.701 -0.326 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.983 1.309 0.339 1.00 0.00 C ATOM 0 H LEU A 44 -10.850 -1.141 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.445 1.645 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.886 0.205 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.070 1.881 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.361 -0.559 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.445 0.428 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.055 0.075 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.389 1.748 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.746 1.028 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.780 2.371 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.037 1.112 0.143 1.00 0.00 H new ATOM 692 N GLY A 45 -11.370 -0.103 -4.666 1.00 0.00 N ATOM 693 CA GLY A 45 -11.525 -0.057 -6.108 1.00 0.00 C ATOM 694 C GLY A 45 -10.220 -0.301 -6.839 1.00 0.00 C ATOM 695 O GLY A 45 -10.094 0.017 -8.022 1.00 0.00 O ATOM 0 H GLY A 45 -11.524 -1.020 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.256 -0.805 -6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.923 0.916 -6.397 1.00 0.00 H new ATOM 699 N LEU A 46 -9.246 -0.866 -6.135 1.00 0.00 N ATOM 700 CA LEU A 46 -7.942 -1.152 -6.724 1.00 0.00 C ATOM 701 C LEU A 46 -7.827 -2.625 -7.104 1.00 0.00 C ATOM 702 O LEU A 46 -8.762 -3.403 -6.909 1.00 0.00 O ATOM 703 CB LEU A 46 -6.826 -0.776 -5.748 1.00 0.00 C ATOM 704 CG LEU A 46 -6.894 0.634 -5.161 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.274 0.665 -3.773 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.200 1.628 -6.080 1.00 0.00 C ATOM 0 H LEU A 46 -9.334 -1.135 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.841 -0.554 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.834 -1.491 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.870 -0.889 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.942 0.921 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.332 1.677 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.815 -0.017 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.230 0.358 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.258 2.626 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.154 1.345 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.690 1.626 -7.054 1.00 0.00 H new ATOM 718 N THR A 47 -6.673 -3.002 -7.645 1.00 0.00 N ATOM 719 CA THR A 47 -6.435 -4.382 -8.052 1.00 0.00 C ATOM 720 C THR A 47 -5.365 -5.034 -7.183 1.00 0.00 C ATOM 721 O THR A 47 -4.531 -4.348 -6.591 1.00 0.00 O ATOM 722 CB THR A 47 -6.002 -4.466 -9.527 1.00 0.00 C ATOM 723 OG1 THR A 47 -6.043 -5.826 -9.973 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.599 -3.908 -9.713 1.00 0.00 C ATOM 0 H THR A 47 -5.889 -2.372 -7.812 1.00 0.00 H new ATOM 0 HA THR A 47 -7.377 -4.915 -7.927 1.00 0.00 H new ATOM 0 HB THR A 47 -6.694 -3.868 -10.120 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.768 -5.871 -10.913 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.316 -3.978 -10.763 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.578 -2.864 -9.401 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.896 -4.481 -9.108 1.00 0.00 H new ATOM 732 N GLN A 48 -5.396 -6.360 -7.110 1.00 0.00 N ATOM 733 CA GLN A 48 -4.428 -7.104 -6.313 1.00 0.00 C ATOM 734 C GLN A 48 -3.001 -6.734 -6.704 1.00 0.00 C ATOM 735 O GLN A 48 -2.082 -6.809 -5.888 1.00 0.00 O ATOM 736 CB GLN A 48 -4.643 -8.609 -6.484 1.00 0.00 C ATOM 737 CG GLN A 48 -5.955 -9.107 -5.899 1.00 0.00 C ATOM 738 CD GLN A 48 -6.482 -10.337 -6.612 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.728 -11.065 -7.258 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.783 -10.575 -6.497 1.00 0.00 N ATOM 0 H GLN A 48 -6.081 -6.942 -7.593 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.578 -6.840 -5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.612 -8.854 -7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.818 -9.141 -6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.814 -9.337 -4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.699 -8.312 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.371 -9.945 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.195 -11.388 -6.954 1.00 0.00 H new ATOM 749 N THR A 49 -2.822 -6.335 -7.960 1.00 0.00 N ATOM 750 CA THR A 49 -1.507 -5.955 -8.460 1.00 0.00 C ATOM 751 C THR A 49 -1.095 -4.583 -7.938 1.00 0.00 C ATOM 752 O THR A 49 0.087 -4.241 -7.933 1.00 0.00 O ATOM 753 CB THR A 49 -1.476 -5.936 -10.000 1.00 0.00 C ATOM 754 OG1 THR A 49 -2.216 -7.047 -10.519 1.00 0.00 O ATOM 755 CG2 THR A 49 -0.045 -5.989 -10.513 1.00 0.00 C ATOM 0 H THR A 49 -3.571 -6.267 -8.649 1.00 0.00 H new ATOM 0 HA THR A 49 -0.803 -6.704 -8.098 1.00 0.00 H new ATOM 0 HB THR A 49 -1.932 -5.006 -10.339 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.193 -7.027 -11.499 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.048 -5.975 -11.603 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.507 -5.126 -10.140 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.433 -6.904 -10.164 1.00 0.00 H new ATOM 763 N GLN A 50 -2.077 -3.803 -7.499 1.00 0.00 N ATOM 764 CA GLN A 50 -1.815 -2.468 -6.975 1.00 0.00 C ATOM 765 C GLN A 50 -1.598 -2.509 -5.465 1.00 0.00 C ATOM 766 O GLN A 50 -0.622 -1.961 -4.953 1.00 0.00 O ATOM 767 CB GLN A 50 -2.975 -1.529 -7.309 1.00 0.00 C ATOM 768 CG GLN A 50 -2.926 -0.982 -8.727 1.00 0.00 C ATOM 769 CD GLN A 50 -3.555 0.392 -8.845 1.00 0.00 C ATOM 770 OE1 GLN A 50 -3.328 1.265 -8.007 1.00 0.00 O ATOM 771 NE2 GLN A 50 -4.350 0.592 -9.889 1.00 0.00 N ATOM 0 H GLN A 50 -3.061 -4.072 -7.496 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.906 -2.093 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.915 -2.061 -7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.971 -0.696 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.888 -0.932 -9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.441 -1.672 -9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.510 -0.160 -10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.801 1.498 -10.021 1.00 0.00 H new ATOM 780 N VAL A 51 -2.515 -3.161 -4.758 1.00 0.00 N ATOM 781 CA VAL A 51 -2.423 -3.274 -3.307 1.00 0.00 C ATOM 782 C VAL A 51 -1.231 -4.131 -2.897 1.00 0.00 C ATOM 783 O VAL A 51 -0.703 -3.993 -1.793 1.00 0.00 O ATOM 784 CB VAL A 51 -3.707 -3.880 -2.709 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.448 -4.399 -1.303 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.830 -2.854 -2.710 1.00 0.00 C ATOM 0 H VAL A 51 -3.330 -3.619 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.291 -2.264 -2.918 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.015 -4.722 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.366 -4.823 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.676 -5.168 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.116 -3.578 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.730 -3.299 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.535 -1.991 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.032 -2.536 -3.733 1.00 0.00 H new ATOM 796 N LYS A 52 -0.810 -5.017 -3.793 1.00 0.00 N ATOM 797 CA LYS A 52 0.322 -5.896 -3.527 1.00 0.00 C ATOM 798 C LYS A 52 1.626 -5.106 -3.483 1.00 0.00 C ATOM 799 O LYS A 52 2.398 -5.217 -2.530 1.00 0.00 O ATOM 800 CB LYS A 52 0.410 -6.987 -4.597 1.00 0.00 C ATOM 801 CG LYS A 52 -0.431 -8.213 -4.286 1.00 0.00 C ATOM 802 CD LYS A 52 -0.481 -9.169 -5.465 1.00 0.00 C ATOM 803 CE LYS A 52 0.882 -9.787 -5.739 1.00 0.00 C ATOM 804 NZ LYS A 52 1.253 -10.793 -4.706 1.00 0.00 N ATOM 0 H LYS A 52 -1.236 -5.145 -4.711 1.00 0.00 H new ATOM 0 HA LYS A 52 0.167 -6.362 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.093 -6.572 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.451 -7.290 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.019 -8.727 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.443 -7.904 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.206 -9.958 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.826 -8.637 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.875 -10.260 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.637 -9.002 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.139 -11.263 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.384 -10.318 -3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.496 -11.501 -4.624 1.00 0.00 H new ATOM 818 N ILE A 53 1.865 -4.310 -4.519 1.00 0.00 N ATOM 819 CA ILE A 53 3.075 -3.500 -4.597 1.00 0.00 C ATOM 820 C ILE A 53 3.119 -2.469 -3.473 1.00 0.00 C ATOM 821 O ILE A 53 4.191 -2.131 -2.970 1.00 0.00 O ATOM 822 CB ILE A 53 3.179 -2.772 -5.950 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.119 -3.779 -7.101 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.464 -1.960 -6.017 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.898 -3.138 -8.453 1.00 0.00 C ATOM 0 H ILE A 53 1.237 -4.208 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 53 3.919 -4.182 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 53 2.335 -2.089 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.049 -4.347 -7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.316 -4.490 -6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.523 -1.451 -6.979 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.470 -1.222 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.321 -2.625 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.866 -3.911 -9.221 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.954 -2.593 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.714 -2.448 -8.666 1.00 0.00 H new ATOM 837 N TRP A 54 1.949 -1.976 -3.084 1.00 0.00 N ATOM 838 CA TRP A 54 1.855 -0.985 -2.019 1.00 0.00 C ATOM 839 C TRP A 54 2.302 -1.574 -0.686 1.00 0.00 C ATOM 840 O TRP A 54 3.085 -0.964 0.043 1.00 0.00 O ATOM 841 CB TRP A 54 0.421 -0.464 -1.904 1.00 0.00 C ATOM 842 CG TRP A 54 0.305 0.780 -1.077 1.00 0.00 C ATOM 843 CD1 TRP A 54 0.366 2.069 -1.523 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.110 0.852 0.340 1.00 0.00 C ATOM 845 NE1 TRP A 54 0.220 2.939 -0.468 1.00 0.00 N ATOM 846 CE2 TRP A 54 0.061 2.217 0.685 1.00 0.00 C ATOM 847 CE3 TRP A 54 -0.030 -0.103 1.350 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.120 2.647 1.997 1.00 0.00 C ATOM 849 CZ3 TRP A 54 -0.210 0.325 2.652 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.254 1.690 2.966 1.00 0.00 C ATOM 0 H TRP A 54 1.053 -2.246 -3.490 1.00 0.00 H new ATOM 0 HA TRP A 54 2.517 -0.156 -2.269 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.033 -0.265 -2.903 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.206 -1.241 -1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.508 2.362 -2.553 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.229 3.957 -0.534 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.002 -1.157 1.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.153 3.698 2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.319 -0.405 3.441 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.396 1.993 3.993 1.00 0.00 H new ATOM 861 N PHE A 55 1.802 -2.765 -0.372 1.00 0.00 N ATOM 862 CA PHE A 55 2.150 -3.436 0.875 1.00 0.00 C ATOM 863 C PHE A 55 3.590 -3.939 0.838 1.00 0.00 C ATOM 864 O PHE A 55 4.270 -3.982 1.863 1.00 0.00 O ATOM 865 CB PHE A 55 1.197 -4.605 1.133 1.00 0.00 C ATOM 866 CG PHE A 55 -0.029 -4.218 1.910 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.042 -3.485 1.312 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.169 -4.588 3.238 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.170 -3.127 2.025 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.296 -4.233 3.956 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.298 -3.503 3.348 1.00 0.00 C ATOM 0 H PHE A 55 1.155 -3.285 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 55 2.056 -2.713 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.892 -5.033 0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.730 -5.385 1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.949 -3.190 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.611 -5.160 3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.951 -2.554 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.392 -4.526 4.991 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.180 -3.226 3.906 1.00 0.00 H new ATOM 881 N GLN A 56 4.048 -4.318 -0.351 1.00 0.00 N ATOM 882 CA GLN A 56 5.407 -4.819 -0.522 1.00 0.00 C ATOM 883 C GLN A 56 6.425 -3.695 -0.363 1.00 0.00 C ATOM 884 O GLN A 56 7.455 -3.866 0.287 1.00 0.00 O ATOM 885 CB GLN A 56 5.562 -5.474 -1.896 1.00 0.00 C ATOM 886 CG GLN A 56 6.722 -6.453 -1.975 1.00 0.00 C ATOM 887 CD GLN A 56 7.019 -6.893 -3.395 1.00 0.00 C ATOM 888 OE1 GLN A 56 7.394 -6.082 -4.242 1.00 0.00 O ATOM 889 NE2 GLN A 56 6.853 -8.183 -3.663 1.00 0.00 N ATOM 0 H GLN A 56 3.498 -4.288 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 56 5.593 -5.565 0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.639 -5.996 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.702 -4.696 -2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.612 -5.991 -1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.495 -7.329 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.540 -8.820 -2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.038 -8.537 -4.602 1.00 0.00 H new ATOM 898 N ASN A 57 6.129 -2.546 -0.961 1.00 0.00 N ATOM 899 CA ASN A 57 7.020 -1.393 -0.886 1.00 0.00 C ATOM 900 C ASN A 57 7.013 -0.791 0.516 1.00 0.00 C ATOM 901 O ASN A 57 8.064 -0.465 1.069 1.00 0.00 O ATOM 902 CB ASN A 57 6.606 -0.335 -1.910 1.00 0.00 C ATOM 903 CG ASN A 57 7.068 -0.677 -3.313 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.766 -1.668 -3.525 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.679 0.146 -4.281 1.00 0.00 N ATOM 0 H ASN A 57 5.279 -2.388 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 57 8.031 -1.731 -1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.521 -0.231 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.020 0.630 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.959 -0.033 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.100 0.956 -4.060 1.00 0.00 H new ATOM 912 N LYS A 58 5.822 -0.646 1.086 1.00 0.00 N ATOM 913 CA LYS A 58 5.676 -0.085 2.424 1.00 0.00 C ATOM 914 C LYS A 58 6.523 -0.854 3.432 1.00 0.00 C ATOM 915 O LYS A 58 7.173 -0.261 4.293 1.00 0.00 O ATOM 916 CB LYS A 58 4.207 -0.109 2.852 1.00 0.00 C ATOM 917 CG LYS A 58 3.847 0.977 3.852 1.00 0.00 C ATOM 918 CD LYS A 58 3.778 2.343 3.191 1.00 0.00 C ATOM 919 CE LYS A 58 2.899 2.318 1.950 1.00 0.00 C ATOM 920 NZ LYS A 58 3.678 1.990 0.724 1.00 0.00 N ATOM 0 H LYS A 58 4.943 -0.910 0.642 1.00 0.00 H new ATOM 0 HA LYS A 58 6.023 0.948 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.578 -0.001 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.980 -1.082 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.886 0.745 4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.587 0.996 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.387 3.072 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.782 2.668 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.105 1.584 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.418 3.288 1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.548 2.743 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.687 1.911 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.344 1.087 0.332 1.00 0.00 H new ATOM 934 N ARG A 59 6.513 -2.178 3.318 1.00 0.00 N ATOM 935 CA ARG A 59 7.281 -3.029 4.219 1.00 0.00 C ATOM 936 C ARG A 59 8.775 -2.744 4.094 1.00 0.00 C ATOM 937 O ARG A 59 9.510 -2.790 5.080 1.00 0.00 O ATOM 938 CB ARG A 59 7.005 -4.504 3.922 1.00 0.00 C ATOM 939 CG ARG A 59 5.829 -5.072 4.699 1.00 0.00 C ATOM 940 CD ARG A 59 5.851 -6.593 4.709 1.00 0.00 C ATOM 941 NE ARG A 59 5.127 -7.158 3.573 1.00 0.00 N ATOM 942 CZ ARG A 59 5.652 -7.293 2.361 1.00 0.00 C ATOM 943 NH1 ARG A 59 6.899 -6.907 2.128 1.00 0.00 N ATOM 944 NH2 ARG A 59 4.930 -7.817 1.378 1.00 0.00 N ATOM 0 H ARG A 59 5.981 -2.685 2.610 1.00 0.00 H new ATOM 0 HA ARG A 59 6.971 -2.808 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.815 -4.622 2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.897 -5.086 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.854 -4.700 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.896 -4.723 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.884 -6.941 4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.409 -6.956 5.637 1.00 0.00 H new ATOM 0 HE ARG A 59 4.166 -7.466 3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.458 -6.505 2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.300 -7.012 1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.971 -8.116 1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.334 -7.920 0.447 1.00 0.00 H new