USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 546 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 39 THR OG1 : rot 60:sc= -1.18 USER MOD Set 1.2: B 39 THR OG1 : rot -147:sc= -1.17 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 18 TYR OH : rot 150:sc= -0.913 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.864 F(o=-2.7,f=-0.86) USER MOD Single : A 37 TYR OH : rot 88:sc= 0.856 USER MOD Single : B 12 THR OG1 : rot 102:sc= 0.0607 USER MOD Single : B 16 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : B 18 TYR OH : rot 150:sc= -1.14 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 26 GLN :FLIP amide:sc= -0.862 F(o=-2.7,f=-0.86) USER MOD Single : B 37 TYR OH : rot 86:sc= 0.846 USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 10.190 7.778 -3.840 1.00 10.00 N ATOM 152 CA LEU A 11 9.977 6.718 -2.812 1.00 10.00 C ATOM 153 C LEU A 11 9.128 5.580 -3.387 1.00 10.00 C ATOM 154 O LEU A 11 9.623 4.507 -3.674 1.00 10.00 O ATOM 155 CB LEU A 11 9.235 7.418 -1.673 1.00 10.00 C ATOM 156 CG LEU A 11 8.711 6.374 -0.684 1.00 10.00 C ATOM 157 CD1 LEU A 11 9.874 5.516 -0.183 1.00 10.00 C ATOM 158 CD2 LEU A 11 8.054 7.084 0.502 1.00 10.00 C ATOM 0 HA LEU A 11 10.914 6.273 -2.478 1.00 10.00 H new ATOM 0 HB2 LEU A 11 9.902 8.113 -1.164 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.407 8.005 -2.071 1.00 10.00 H new ATOM 0 HG LEU A 11 7.978 5.738 -1.180 1.00 10.00 H new ATOM 0 HD11 LEU A 11 9.501 4.773 0.521 1.00 10.00 H new ATOM 0 HD12 LEU A 11 10.344 5.012 -1.027 1.00 10.00 H new ATOM 0 HD13 LEU A 11 10.607 6.151 0.314 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.680 6.343 1.208 1.00 10.00 H new ATOM 0 HD22 LEU A 11 8.788 7.719 0.998 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.226 7.696 0.146 1.00 10.00 H new ATOM 170 N THR A 12 7.853 5.804 -3.551 1.00 10.00 N ATOM 171 CA THR A 12 6.970 4.735 -4.102 1.00 10.00 C ATOM 172 C THR A 12 7.590 4.117 -5.356 1.00 10.00 C ATOM 173 O THR A 12 7.993 2.971 -5.363 1.00 10.00 O ATOM 174 CB THR A 12 5.659 5.444 -4.446 1.00 10.00 C ATOM 175 OG1 THR A 12 5.270 6.270 -3.357 1.00 10.00 O ATOM 176 CG2 THR A 12 4.571 4.404 -4.713 1.00 10.00 C ATOM 0 H THR A 12 7.383 6.681 -3.327 1.00 10.00 H new ATOM 0 HA THR A 12 6.823 3.920 -3.393 1.00 10.00 H new ATOM 0 HB THR A 12 5.799 6.057 -5.336 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.431 6.727 -3.576 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.637 4.909 -4.958 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.871 3.770 -5.548 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.429 3.790 -3.824 1.00 10.00 H new ATOM 184 N GLU A 13 7.659 4.868 -6.417 1.00 10.00 N ATOM 185 CA GLU A 13 8.243 4.333 -7.682 1.00 10.00 C ATOM 186 C GLU A 13 9.465 3.457 -7.384 1.00 10.00 C ATOM 187 O GLU A 13 9.597 2.366 -7.902 1.00 10.00 O ATOM 188 CB GLU A 13 8.632 5.577 -8.494 1.00 10.00 C ATOM 189 CG GLU A 13 10.155 5.731 -8.537 1.00 10.00 C ATOM 190 CD GLU A 13 10.526 6.849 -9.512 1.00 10.00 C ATOM 191 OE1 GLU A 13 9.635 7.348 -10.178 1.00 10.00 O ATOM 192 OE2 GLU A 13 11.697 7.188 -9.577 1.00 10.00 O ATOM 0 H GLU A 13 7.335 5.834 -6.466 1.00 10.00 H new ATOM 0 HA GLU A 13 7.543 3.699 -8.227 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.240 5.495 -9.508 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.183 6.465 -8.049 1.00 10.00 H new ATOM 0 HG2 GLU A 13 10.536 5.960 -7.542 1.00 10.00 H new ATOM 0 HG3 GLU A 13 10.617 4.794 -8.848 1.00 10.00 H new ATOM 199 N LEU A 14 10.360 3.924 -6.557 1.00 10.00 N ATOM 200 CA LEU A 14 11.569 3.111 -6.235 1.00 10.00 C ATOM 201 C LEU A 14 11.166 1.839 -5.486 1.00 10.00 C ATOM 202 O LEU A 14 11.810 0.814 -5.592 1.00 10.00 O ATOM 203 CB LEU A 14 12.428 4.008 -5.344 1.00 10.00 C ATOM 204 CG LEU A 14 13.123 5.067 -6.203 1.00 10.00 C ATOM 205 CD1 LEU A 14 13.753 6.126 -5.297 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.215 4.403 -7.044 1.00 10.00 C ATOM 0 H LEU A 14 10.308 4.830 -6.091 1.00 10.00 H new ATOM 0 HA LEU A 14 12.104 2.797 -7.131 1.00 10.00 H new ATOM 0 HB2 LEU A 14 11.807 4.488 -4.587 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.170 3.410 -4.815 1.00 10.00 H new ATOM 0 HG LEU A 14 12.392 5.539 -6.860 1.00 10.00 H new ATOM 0 HD11 LEU A 14 14.248 6.880 -5.909 1.00 10.00 H new ATOM 0 HD12 LEU A 14 12.977 6.599 -4.696 1.00 10.00 H new ATOM 0 HD13 LEU A 14 14.484 5.655 -4.640 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.711 5.156 -7.656 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.945 3.932 -6.386 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.768 3.647 -7.690 1.00 10.00 H new ATOM 218 N LEU A 15 10.104 1.896 -4.730 1.00 10.00 N ATOM 219 CA LEU A 15 9.661 0.688 -3.977 1.00 10.00 C ATOM 220 C LEU A 15 9.017 -0.321 -4.931 1.00 10.00 C ATOM 221 O LEU A 15 9.538 -1.395 -5.157 1.00 10.00 O ATOM 222 CB LEU A 15 8.633 1.203 -2.970 1.00 10.00 C ATOM 223 CG LEU A 15 9.002 0.714 -1.569 1.00 10.00 C ATOM 224 CD1 LEU A 15 9.246 -0.795 -1.602 1.00 10.00 C ATOM 225 CD2 LEU A 15 10.274 1.425 -1.101 1.00 10.00 C ATOM 0 H LEU A 15 9.524 2.725 -4.601 1.00 10.00 H new ATOM 0 HA LEU A 15 10.491 0.179 -3.487 1.00 10.00 H new ATOM 0 HB2 LEU A 15 8.603 2.292 -2.990 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.637 0.851 -3.239 1.00 10.00 H new ATOM 0 HG LEU A 15 8.186 0.935 -0.881 1.00 10.00 H new ATOM 0 HD11 LEU A 15 9.509 -1.143 -0.603 1.00 10.00 H new ATOM 0 HD12 LEU A 15 8.341 -1.303 -1.937 1.00 10.00 H new ATOM 0 HD13 LEU A 15 10.062 -1.017 -2.290 1.00 10.00 H new ATOM 0 HD21 LEU A 15 10.539 1.078 -0.102 1.00 10.00 H new ATOM 0 HD22 LEU A 15 11.089 1.204 -1.790 1.00 10.00 H new ATOM 0 HD23 LEU A 15 10.102 2.501 -1.077 1.00 10.00 H new ATOM 237 N GLN A 16 7.889 0.017 -5.494 1.00 10.00 N ATOM 238 CA GLN A 16 7.214 -0.923 -6.434 1.00 10.00 C ATOM 239 C GLN A 16 8.234 -1.512 -7.412 1.00 10.00 C ATOM 240 O GLN A 16 8.125 -2.648 -7.828 1.00 10.00 O ATOM 241 CB GLN A 16 6.189 -0.069 -7.181 1.00 10.00 C ATOM 242 CG GLN A 16 4.778 -0.478 -6.759 1.00 10.00 C ATOM 243 CD GLN A 16 3.774 -0.030 -7.822 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.105 0.919 -8.656 1.00 10.00 O flip ATOM 245 NE2 GLN A 16 2.678 -0.547 -7.896 1.00 10.00 N flip ATOM 0 H GLN A 16 7.406 0.903 -5.344 1.00 10.00 H new ATOM 0 HA GLN A 16 6.747 -1.761 -5.916 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.353 0.987 -6.964 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.309 -0.196 -8.257 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.726 -1.559 -6.628 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.530 -0.028 -5.798 1.00 10.00 H new ATOM 0 HE21 GLN A 16 2.419 -1.288 -7.245 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.016 -0.240 -8.609 1.00 10.00 H new ATOM 254 N GLY A 17 9.224 -0.747 -7.781 1.00 10.00 N ATOM 255 CA GLY A 17 10.249 -1.263 -8.732 1.00 10.00 C ATOM 256 C GLY A 17 11.144 -2.278 -8.021 1.00 10.00 C ATOM 257 O GLY A 17 11.400 -3.356 -8.525 1.00 10.00 O ATOM 0 H GLY A 17 9.368 0.212 -7.466 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.763 -1.729 -9.589 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.850 -0.439 -9.116 1.00 10.00 H new ATOM 261 N TYR A 18 11.618 -1.952 -6.850 1.00 10.00 N ATOM 262 CA TYR A 18 12.487 -2.900 -6.113 1.00 10.00 C ATOM 263 C TYR A 18 11.661 -4.104 -5.654 1.00 10.00 C ATOM 264 O TYR A 18 12.082 -5.238 -5.765 1.00 10.00 O ATOM 265 CB TYR A 18 13.001 -2.088 -4.930 1.00 10.00 C ATOM 266 CG TYR A 18 12.914 -2.913 -3.682 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.646 -4.094 -3.581 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.102 -2.491 -2.630 1.00 10.00 C ATOM 269 CE1 TYR A 18 13.573 -4.865 -2.414 1.00 10.00 C ATOM 270 CE2 TYR A 18 12.022 -3.258 -1.460 1.00 10.00 C ATOM 271 CZ TYR A 18 12.760 -4.445 -1.351 1.00 10.00 C ATOM 272 OH TYR A 18 12.684 -5.201 -0.199 1.00 10.00 O ATOM 0 H TYR A 18 11.438 -1.068 -6.375 1.00 10.00 H new ATOM 0 HA TYR A 18 13.305 -3.300 -6.713 1.00 10.00 H new ATOM 0 HB2 TYR A 18 14.033 -1.783 -5.106 1.00 10.00 H new ATOM 0 HB3 TYR A 18 12.413 -1.177 -4.818 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.270 -4.415 -4.402 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.536 -1.575 -2.717 1.00 10.00 H new ATOM 0 HE1 TYR A 18 14.141 -5.780 -2.333 1.00 10.00 H new ATOM 0 HE2 TYR A 18 11.393 -2.935 -0.644 1.00 10.00 H new ATOM 0 HH TYR A 18 12.509 -4.614 0.566 1.00 10.00 H new ATOM 282 N THR A 19 10.483 -3.865 -5.145 1.00 10.00 N ATOM 283 CA THR A 19 9.626 -4.995 -4.689 1.00 10.00 C ATOM 284 C THR A 19 9.341 -5.934 -5.864 1.00 10.00 C ATOM 285 O THR A 19 9.258 -7.135 -5.707 1.00 10.00 O ATOM 286 CB THR A 19 8.334 -4.340 -4.193 1.00 10.00 C ATOM 287 OG1 THR A 19 8.551 -3.790 -2.902 1.00 10.00 O ATOM 288 CG2 THR A 19 7.221 -5.387 -4.124 1.00 10.00 C ATOM 0 H THR A 19 10.078 -2.937 -5.025 1.00 10.00 H new ATOM 0 HA THR A 19 10.099 -5.591 -3.909 1.00 10.00 H new ATOM 0 HB THR A 19 8.040 -3.548 -4.882 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.726 -3.369 -2.583 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.302 -4.919 -3.771 1.00 10.00 H new ATOM 0 HG22 THR A 19 7.056 -5.808 -5.116 1.00 10.00 H new ATOM 0 HG23 THR A 19 7.511 -6.181 -3.436 1.00 10.00 H new ATOM 296 N VAL A 20 9.195 -5.392 -7.043 1.00 10.00 N ATOM 297 CA VAL A 20 8.924 -6.250 -8.230 1.00 10.00 C ATOM 298 C VAL A 20 10.150 -7.112 -8.539 1.00 10.00 C ATOM 299 O VAL A 20 10.040 -8.194 -9.081 1.00 10.00 O ATOM 300 CB VAL A 20 8.645 -5.272 -9.373 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.949 -5.944 -10.714 1.00 10.00 C ATOM 302 CG2 VAL A 20 7.171 -4.858 -9.337 1.00 10.00 C ATOM 0 H VAL A 20 9.252 -4.392 -7.235 1.00 10.00 H new ATOM 0 HA VAL A 20 8.088 -6.931 -8.071 1.00 10.00 H new ATOM 0 HB VAL A 20 9.278 -4.392 -9.258 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.749 -5.244 -11.525 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.997 -6.242 -10.742 1.00 10.00 H new ATOM 0 HG13 VAL A 20 8.318 -6.825 -10.831 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.969 -4.161 -10.150 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.542 -5.741 -9.451 1.00 10.00 H new ATOM 0 HG23 VAL A 20 6.951 -4.377 -8.384 1.00 10.00 H new ATOM 312 N GLU A 21 11.318 -6.645 -8.188 1.00 10.00 N ATOM 313 CA GLU A 21 12.547 -7.452 -8.456 1.00 10.00 C ATOM 314 C GLU A 21 12.642 -8.587 -7.439 1.00 10.00 C ATOM 315 O GLU A 21 13.234 -9.618 -7.691 1.00 10.00 O ATOM 316 CB GLU A 21 13.737 -6.501 -8.279 1.00 10.00 C ATOM 317 CG GLU A 21 13.302 -5.060 -8.523 1.00 10.00 C ATOM 318 CD GLU A 21 14.457 -4.276 -9.148 1.00 10.00 C ATOM 319 OE1 GLU A 21 15.594 -4.661 -8.933 1.00 10.00 O ATOM 320 OE2 GLU A 21 14.183 -3.303 -9.832 1.00 10.00 O ATOM 0 H GLU A 21 11.476 -5.747 -7.731 1.00 10.00 H new ATOM 0 HA GLU A 21 12.531 -7.886 -9.456 1.00 10.00 H new ATOM 0 HB2 GLU A 21 14.144 -6.600 -7.273 1.00 10.00 H new ATOM 0 HB3 GLU A 21 14.533 -6.770 -8.973 1.00 10.00 H new ATOM 0 HG2 GLU A 21 12.435 -5.038 -9.183 1.00 10.00 H new ATOM 0 HG3 GLU A 21 13.000 -4.596 -7.584 1.00 10.00 H new ATOM 327 N VAL A 22 12.067 -8.396 -6.285 1.00 10.00 N ATOM 328 CA VAL A 22 12.123 -9.452 -5.237 1.00 10.00 C ATOM 329 C VAL A 22 10.989 -10.458 -5.444 1.00 10.00 C ATOM 330 O VAL A 22 11.171 -11.651 -5.298 1.00 10.00 O ATOM 331 CB VAL A 22 11.948 -8.711 -3.909 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.697 -9.461 -2.811 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.514 -7.292 -4.023 1.00 10.00 C ATOM 0 H VAL A 22 11.559 -7.551 -6.022 1.00 10.00 H new ATOM 0 HA VAL A 22 13.057 -10.013 -5.267 1.00 10.00 H new ATOM 0 HB VAL A 22 10.887 -8.657 -3.667 1.00 10.00 H new ATOM 0 HG11 VAL A 22 12.575 -8.936 -1.863 1.00 10.00 H new ATOM 0 HG12 VAL A 22 12.296 -10.470 -2.721 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.756 -9.513 -3.063 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.385 -6.772 -3.074 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.575 -7.342 -4.269 1.00 10.00 H new ATOM 0 HG23 VAL A 22 11.985 -6.751 -4.808 1.00 10.00 H new ATOM 343 N LEU A 23A 9.820 -9.988 -5.785 1.00 10.00 N ATOM 344 CA LEU A 23A 8.678 -10.920 -6.004 1.00 10.00 C ATOM 345 C LEU A 23A 8.996 -11.875 -7.158 1.00 10.00 C ATOM 346 O LEU A 23A 8.665 -13.044 -7.119 1.00 10.00 O ATOM 347 CB LEU A 23A 7.493 -10.021 -6.362 1.00 10.00 C ATOM 348 CG LEU A 23A 6.445 -10.078 -5.249 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.135 -9.468 -5.753 1.00 10.00 C ATOM 350 CD2 LEU A 23A 6.203 -11.534 -4.844 1.00 10.00 C ATOM 0 H LEU A 23A 9.607 -9.000 -5.921 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.470 -11.534 -5.128 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.833 -8.995 -6.502 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.053 -10.343 -7.306 1.00 10.00 H new ATOM 0 HG LEU A 23A 6.803 -9.517 -4.386 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 4.387 -9.508 -4.961 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 5.304 -8.430 -6.041 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 4.780 -10.031 -6.616 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 5.456 -11.572 -4.051 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 5.846 -12.097 -5.706 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 7.135 -11.972 -4.486 1.00 10.00 H new ATOM 362 N ARG A 24 9.637 -11.385 -8.184 1.00 10.00 N ATOM 363 CA ARG A 24 9.978 -12.262 -9.340 1.00 10.00 C ATOM 364 C ARG A 24 11.265 -13.040 -9.051 1.00 10.00 C ATOM 365 O ARG A 24 11.316 -14.247 -9.190 1.00 10.00 O ATOM 366 CB ARG A 24 10.182 -11.305 -10.515 1.00 10.00 C ATOM 367 CG ARG A 24 8.854 -11.112 -11.251 1.00 10.00 C ATOM 368 CD ARG A 24 7.787 -10.628 -10.266 1.00 10.00 C ATOM 369 NE ARG A 24 6.582 -10.371 -11.102 1.00 10.00 N ATOM 370 CZ ARG A 24 5.512 -9.854 -10.561 1.00 10.00 C ATOM 371 NH1 ARG A 24 4.796 -10.557 -9.728 1.00 10.00 N ATOM 372 NH2 ARG A 24 5.158 -8.633 -10.855 1.00 10.00 N ATOM 0 H ARG A 24 9.939 -10.415 -8.272 1.00 10.00 H new ATOM 0 HA ARG A 24 9.201 -12.999 -9.544 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.554 -10.345 -10.156 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.933 -11.704 -11.197 1.00 10.00 H new ATOM 0 HG2 ARG A 24 8.975 -10.388 -12.057 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.541 -12.050 -11.710 1.00 10.00 H new ATOM 0 HD2 ARG A 24 7.585 -11.379 -9.502 1.00 10.00 H new ATOM 0 HD3 ARG A 24 8.108 -9.724 -9.748 1.00 10.00 H new ATOM 0 HE ARG A 24 6.592 -10.599 -12.096 1.00 10.00 H new ATOM 0 HH11 ARG A 24 5.072 -11.512 -9.498 1.00 10.00 H new ATOM 0 HH12 ARG A 24 3.960 -10.152 -9.306 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.717 -8.083 -11.507 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.322 -8.229 -10.433 1.00 10.00 H new ATOM 386 N GLN A 25 12.305 -12.361 -8.650 1.00 10.00 N ATOM 387 CA GLN A 25 13.585 -13.066 -8.352 1.00 10.00 C ATOM 388 C GLN A 25 13.467 -13.846 -7.042 1.00 10.00 C ATOM 389 O GLN A 25 14.093 -14.871 -6.859 1.00 10.00 O ATOM 390 CB GLN A 25 14.630 -11.957 -8.221 1.00 10.00 C ATOM 391 CG GLN A 25 14.654 -11.121 -9.502 1.00 10.00 C ATOM 392 CD GLN A 25 15.601 -11.765 -10.515 1.00 10.00 C ATOM 393 OE1 GLN A 25 15.174 -12.512 -11.373 1.00 10.00 O ATOM 394 NE2 GLN A 25 16.879 -11.506 -10.452 1.00 10.00 N ATOM 0 H GLN A 25 12.324 -11.350 -8.516 1.00 10.00 H new ATOM 0 HA GLN A 25 13.849 -13.785 -9.128 1.00 10.00 H new ATOM 0 HB2 GLN A 25 14.397 -11.323 -7.365 1.00 10.00 H new ATOM 0 HB3 GLN A 25 15.614 -12.390 -8.039 1.00 10.00 H new ATOM 0 HG2 GLN A 25 13.650 -11.050 -9.921 1.00 10.00 H new ATOM 0 HG3 GLN A 25 14.979 -10.105 -9.279 1.00 10.00 H new ATOM 0 HE21 GLN A 25 17.237 -10.879 -9.732 1.00 10.00 H new ATOM 0 HE22 GLN A 25 17.519 -11.931 -11.123 1.00 10.00 H new ATOM 403 N GLN A 26 12.670 -13.365 -6.127 1.00 10.00 N ATOM 404 CA GLN A 26 12.512 -14.074 -4.825 1.00 10.00 C ATOM 405 C GLN A 26 13.868 -14.593 -4.344 1.00 10.00 C ATOM 406 O GLN A 26 14.079 -15.786 -4.247 1.00 10.00 O ATOM 407 CB GLN A 26 11.564 -15.238 -5.120 1.00 10.00 C ATOM 408 CG GLN A 26 10.190 -14.944 -4.515 1.00 10.00 C ATOM 409 CD GLN A 26 10.342 -14.639 -3.023 1.00 10.00 C ATOM 410 OE1 GLN A 26 11.404 -15.056 -2.389 1.00 10.00 O flip ATOM 411 NE2 GLN A 26 9.486 -14.015 -2.428 1.00 10.00 N flip ATOM 0 H GLN A 26 12.121 -12.511 -6.225 1.00 10.00 H new ATOM 0 HA GLN A 26 12.123 -13.423 -4.042 1.00 10.00 H new ATOM 0 HB2 GLN A 26 11.475 -15.385 -6.196 1.00 10.00 H new ATOM 0 HB3 GLN A 26 11.966 -16.162 -4.705 1.00 10.00 H new ATOM 0 HG2 GLN A 26 9.730 -14.097 -5.025 1.00 10.00 H new ATOM 0 HG3 GLN A 26 9.528 -15.799 -4.656 1.00 10.00 H new ATOM 0 HE21 GLN A 26 8.656 -13.689 -2.923 1.00 10.00 H new ATOM 0 HE22 GLN A 26 9.598 -13.817 -1.434 1.00 10.00 H new ATOM 420 N PRO A 27 14.748 -13.670 -4.064 1.00 10.00 N ATOM 421 CA PRO A 27 16.107 -14.029 -3.593 1.00 10.00 C ATOM 422 C PRO A 27 16.052 -14.617 -2.181 1.00 10.00 C ATOM 423 O PRO A 27 15.097 -14.411 -1.458 1.00 10.00 O ATOM 424 CB PRO A 27 16.852 -12.697 -3.602 1.00 10.00 C ATOM 425 CG PRO A 27 15.782 -11.663 -3.473 1.00 10.00 C ATOM 426 CD PRO A 27 14.563 -12.220 -4.155 1.00 10.00 C ATOM 0 HA PRO A 27 16.588 -14.786 -4.213 1.00 10.00 H new ATOM 0 HB2 PRO A 27 17.563 -12.636 -2.778 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.419 -12.567 -4.524 1.00 10.00 H new ATOM 0 HG2 PRO A 27 15.575 -11.448 -2.425 1.00 10.00 H new ATOM 0 HG3 PRO A 27 16.091 -10.726 -3.936 1.00 10.00 H new ATOM 0 HD2 PRO A 27 13.646 -11.901 -3.660 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.497 -11.889 -5.191 1.00 10.00 H new ATOM 434 N PRO A 28 17.090 -15.331 -1.837 1.00 10.00 N ATOM 435 CA PRO A 28 17.176 -15.959 -0.496 1.00 10.00 C ATOM 436 C PRO A 28 17.352 -14.888 0.583 1.00 10.00 C ATOM 437 O PRO A 28 17.069 -15.109 1.744 1.00 10.00 O ATOM 438 CB PRO A 28 18.414 -16.847 -0.595 1.00 10.00 C ATOM 439 CG PRO A 28 19.239 -16.228 -1.677 1.00 10.00 C ATOM 440 CD PRO A 28 18.271 -15.617 -2.654 1.00 10.00 C ATOM 0 HA PRO A 28 16.281 -16.518 -0.224 1.00 10.00 H new ATOM 0 HB2 PRO A 28 18.957 -16.876 0.350 1.00 10.00 H new ATOM 0 HB3 PRO A 28 18.146 -17.875 -0.840 1.00 10.00 H new ATOM 0 HG2 PRO A 28 19.909 -15.471 -1.269 1.00 10.00 H new ATOM 0 HG3 PRO A 28 19.863 -16.976 -2.165 1.00 10.00 H new ATOM 0 HD2 PRO A 28 18.675 -14.711 -3.105 1.00 10.00 H new ATOM 0 HD3 PRO A 28 18.038 -16.302 -3.469 1.00 10.00 H new ATOM 448 N ASP A 29 17.816 -13.728 0.207 1.00 10.00 N ATOM 449 CA ASP A 29 18.010 -12.641 1.207 1.00 10.00 C ATOM 450 C ASP A 29 17.532 -11.306 0.630 1.00 10.00 C ATOM 451 O ASP A 29 18.024 -10.843 -0.379 1.00 10.00 O ATOM 452 CB ASP A 29 19.516 -12.605 1.467 1.00 10.00 C ATOM 453 CG ASP A 29 19.969 -13.953 2.028 1.00 10.00 C ATOM 454 OD1 ASP A 29 19.661 -14.229 3.176 1.00 10.00 O ATOM 455 OD2 ASP A 29 20.617 -14.688 1.301 1.00 10.00 O ATOM 0 H ASP A 29 18.069 -13.486 -0.751 1.00 10.00 H new ATOM 0 HA ASP A 29 17.444 -12.814 2.122 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.050 -12.386 0.543 1.00 10.00 H new ATOM 0 HB3 ASP A 29 19.755 -11.807 2.170 1.00 10.00 H new ATOM 460 N LEU A 30 16.576 -10.683 1.263 1.00 10.00 N ATOM 461 CA LEU A 30 16.065 -9.380 0.750 1.00 10.00 C ATOM 462 C LEU A 30 16.993 -8.242 1.179 1.00 10.00 C ATOM 463 O LEU A 30 17.637 -7.615 0.362 1.00 10.00 O ATOM 464 CB LEU A 30 14.687 -9.213 1.392 1.00 10.00 C ATOM 465 CG LEU A 30 13.679 -8.724 0.348 1.00 10.00 C ATOM 466 CD1 LEU A 30 12.540 -7.989 1.055 1.00 10.00 C ATOM 467 CD2 LEU A 30 14.370 -7.770 -0.631 1.00 10.00 C ATOM 0 H LEU A 30 16.126 -11.020 2.114 1.00 10.00 H new ATOM 0 HA LEU A 30 16.015 -9.358 -0.339 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.355 -10.162 1.813 1.00 10.00 H new ATOM 0 HB3 LEU A 30 14.744 -8.501 2.216 1.00 10.00 H new ATOM 0 HG LEU A 30 13.282 -9.578 -0.202 1.00 10.00 H new ATOM 0 HD11 LEU A 30 11.819 -7.639 0.316 1.00 10.00 H new ATOM 0 HD12 LEU A 30 12.046 -8.667 1.751 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.942 -7.137 1.603 1.00 10.00 H new ATOM 0 HD21 LEU A 30 13.649 -7.424 -1.372 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.768 -6.914 -0.086 1.00 10.00 H new ATOM 0 HD23 LEU A 30 15.185 -8.291 -1.133 1.00 10.00 H new ATOM 479 N VAL A 31 17.065 -7.974 2.458 1.00 10.00 N ATOM 480 CA VAL A 31 17.955 -6.877 2.953 1.00 10.00 C ATOM 481 C VAL A 31 19.132 -6.689 2.001 1.00 10.00 C ATOM 482 O VAL A 31 19.394 -5.608 1.514 1.00 10.00 O ATOM 483 CB VAL A 31 18.462 -7.366 4.308 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.127 -6.207 5.052 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.288 -7.895 5.134 1.00 10.00 C ATOM 0 H VAL A 31 16.545 -8.468 3.183 1.00 10.00 H new ATOM 0 HA VAL A 31 17.433 -5.923 3.022 1.00 10.00 H new ATOM 0 HB VAL A 31 19.187 -8.165 4.156 1.00 10.00 H new ATOM 0 HG11 VAL A 31 19.489 -6.556 6.019 1.00 10.00 H new ATOM 0 HG12 VAL A 31 19.965 -5.831 4.465 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.402 -5.407 5.203 1.00 10.00 H new ATOM 0 HG21 VAL A 31 17.651 -8.244 6.101 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.561 -7.097 5.286 1.00 10.00 H new ATOM 0 HG23 VAL A 31 16.814 -8.722 4.605 1.00 10.00 H new ATOM 495 N ASP A 32 19.838 -7.747 1.737 1.00 10.00 N ATOM 496 CA ASP A 32 21.002 -7.666 0.820 1.00 10.00 C ATOM 497 C ASP A 32 20.528 -7.342 -0.599 1.00 10.00 C ATOM 498 O ASP A 32 21.051 -6.459 -1.250 1.00 10.00 O ATOM 499 CB ASP A 32 21.624 -9.057 0.889 1.00 10.00 C ATOM 500 CG ASP A 32 23.135 -8.958 0.676 1.00 10.00 C ATOM 501 OD1 ASP A 32 23.561 -8.014 0.030 1.00 10.00 O ATOM 502 OD2 ASP A 32 23.840 -9.826 1.162 1.00 10.00 O ATOM 0 H ASP A 32 19.657 -8.674 2.121 1.00 10.00 H new ATOM 0 HA ASP A 32 21.712 -6.885 1.093 1.00 10.00 H new ATOM 0 HB2 ASP A 32 21.413 -9.513 1.856 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.182 -9.702 0.130 1.00 10.00 H new ATOM 507 N PHE A 33 19.535 -8.040 -1.081 1.00 10.00 N ATOM 508 CA PHE A 33 19.030 -7.754 -2.453 1.00 10.00 C ATOM 509 C PHE A 33 18.452 -6.339 -2.505 1.00 10.00 C ATOM 510 O PHE A 33 18.701 -5.587 -3.426 1.00 10.00 O ATOM 511 CB PHE A 33 17.935 -8.788 -2.710 1.00 10.00 C ATOM 512 CG PHE A 33 17.264 -8.480 -4.028 1.00 10.00 C ATOM 513 CD1 PHE A 33 16.250 -7.516 -4.088 1.00 10.00 C ATOM 514 CD2 PHE A 33 17.663 -9.151 -5.191 1.00 10.00 C ATOM 515 CE1 PHE A 33 15.634 -7.223 -5.311 1.00 10.00 C ATOM 516 CE2 PHE A 33 17.045 -8.858 -6.414 1.00 10.00 C ATOM 517 CZ PHE A 33 16.031 -7.895 -6.474 1.00 10.00 C ATOM 0 H PHE A 33 19.054 -8.792 -0.587 1.00 10.00 H new ATOM 0 HA PHE A 33 19.819 -7.813 -3.203 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.362 -9.791 -2.731 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.203 -8.770 -1.902 1.00 10.00 H new ATOM 0 HD1 PHE A 33 15.943 -6.999 -3.191 1.00 10.00 H new ATOM 0 HD2 PHE A 33 18.446 -9.893 -5.145 1.00 10.00 H new ATOM 0 HE1 PHE A 33 14.853 -6.479 -5.357 1.00 10.00 H new ATOM 0 HE2 PHE A 33 17.351 -9.376 -7.311 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.555 -7.670 -7.417 1.00 10.00 H new ATOM 527 N ALA A 34 17.682 -5.970 -1.516 1.00 10.00 N ATOM 528 CA ALA A 34 17.090 -4.604 -1.500 1.00 10.00 C ATOM 529 C ALA A 34 18.198 -3.554 -1.395 1.00 10.00 C ATOM 530 O ALA A 34 18.031 -2.418 -1.793 1.00 10.00 O ATOM 531 CB ALA A 34 16.202 -4.572 -0.256 1.00 10.00 C ATOM 0 H ALA A 34 17.438 -6.557 -0.719 1.00 10.00 H new ATOM 0 HA ALA A 34 16.527 -4.385 -2.407 1.00 10.00 H new ATOM 0 HB1 ALA A 34 15.728 -3.594 -0.173 1.00 10.00 H new ATOM 0 HB2 ALA A 34 15.435 -5.342 -0.337 1.00 10.00 H new ATOM 0 HB3 ALA A 34 16.810 -4.757 0.630 1.00 10.00 H new ATOM 537 N VAL A 35 19.332 -3.926 -0.866 1.00 10.00 N ATOM 538 CA VAL A 35 20.448 -2.955 -0.739 1.00 10.00 C ATOM 539 C VAL A 35 21.277 -2.953 -2.026 1.00 10.00 C ATOM 540 O VAL A 35 21.585 -1.915 -2.577 1.00 10.00 O ATOM 541 CB VAL A 35 21.269 -3.472 0.444 1.00 10.00 C ATOM 542 CG1 VAL A 35 22.733 -3.086 0.264 1.00 10.00 C ATOM 543 CG2 VAL A 35 20.736 -2.857 1.740 1.00 10.00 C ATOM 0 H VAL A 35 19.531 -4.863 -0.516 1.00 10.00 H new ATOM 0 HA VAL A 35 20.110 -1.931 -0.581 1.00 10.00 H new ATOM 0 HB VAL A 35 21.187 -4.558 0.493 1.00 10.00 H new ATOM 0 HG11 VAL A 35 23.313 -3.456 1.109 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.114 -3.525 -0.658 1.00 10.00 H new ATOM 0 HG13 VAL A 35 22.819 -2.001 0.212 1.00 10.00 H new ATOM 0 HG21 VAL A 35 21.320 -3.224 2.584 1.00 10.00 H new ATOM 0 HG22 VAL A 35 20.817 -1.771 1.688 1.00 10.00 H new ATOM 0 HG23 VAL A 35 19.691 -3.137 1.873 1.00 10.00 H new ATOM 553 N GLU A 36 21.637 -4.111 -2.511 1.00 10.00 N ATOM 554 CA GLU A 36 22.441 -4.179 -3.764 1.00 10.00 C ATOM 555 C GLU A 36 21.716 -3.439 -4.893 1.00 10.00 C ATOM 556 O GLU A 36 22.315 -2.701 -5.651 1.00 10.00 O ATOM 557 CB GLU A 36 22.564 -5.678 -4.071 1.00 10.00 C ATOM 558 CG GLU A 36 22.183 -5.954 -5.529 1.00 10.00 C ATOM 559 CD GLU A 36 22.764 -7.300 -5.963 1.00 10.00 C ATOM 560 OE1 GLU A 36 23.828 -7.650 -5.477 1.00 10.00 O ATOM 561 OE2 GLU A 36 22.136 -7.960 -6.776 1.00 10.00 O ATOM 0 H GLU A 36 21.409 -5.013 -2.093 1.00 10.00 H new ATOM 0 HA GLU A 36 23.419 -3.709 -3.663 1.00 10.00 H new ATOM 0 HB2 GLU A 36 23.585 -6.012 -3.885 1.00 10.00 H new ATOM 0 HB3 GLU A 36 21.916 -6.247 -3.404 1.00 10.00 H new ATOM 0 HG2 GLU A 36 21.098 -5.962 -5.637 1.00 10.00 H new ATOM 0 HG3 GLU A 36 22.561 -5.159 -6.171 1.00 10.00 H new ATOM 568 N TYR A 37 20.430 -3.629 -5.010 1.00 10.00 N ATOM 569 CA TYR A 37 19.670 -2.935 -6.088 1.00 10.00 C ATOM 570 C TYR A 37 19.654 -1.427 -5.832 1.00 10.00 C ATOM 571 O TYR A 37 20.073 -0.643 -6.660 1.00 10.00 O ATOM 572 CB TYR A 37 18.255 -3.507 -6.008 1.00 10.00 C ATOM 573 CG TYR A 37 17.370 -2.799 -7.006 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.734 -2.755 -8.357 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.184 -2.187 -6.580 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.914 -2.099 -9.283 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.363 -1.531 -7.507 1.00 10.00 C ATOM 578 CZ TYR A 37 15.728 -1.487 -8.858 1.00 10.00 C ATOM 579 OH TYR A 37 14.919 -0.841 -9.770 1.00 10.00 O ATOM 0 H TYR A 37 19.873 -4.234 -4.406 1.00 10.00 H new ATOM 0 HA TYR A 37 20.115 -3.087 -7.071 1.00 10.00 H new ATOM 0 HB2 TYR A 37 18.271 -4.577 -6.215 1.00 10.00 H new ATOM 0 HB3 TYR A 37 17.857 -3.383 -5.001 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.648 -3.227 -8.685 1.00 10.00 H new ATOM 0 HD2 TYR A 37 15.903 -2.221 -5.538 1.00 10.00 H new ATOM 0 HE1 TYR A 37 17.196 -2.065 -10.325 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.448 -1.059 -7.179 1.00 10.00 H new ATOM 0 HH TYR A 37 14.294 -1.484 -10.166 1.00 10.00 H new ATOM 589 N PHE A 38 19.174 -1.018 -4.691 1.00 10.00 N ATOM 590 CA PHE A 38 19.130 0.440 -4.379 1.00 10.00 C ATOM 591 C PHE A 38 20.547 1.020 -4.360 1.00 10.00 C ATOM 592 O PHE A 38 20.874 1.905 -5.126 1.00 10.00 O ATOM 593 CB PHE A 38 18.491 0.526 -2.994 1.00 10.00 C ATOM 594 CG PHE A 38 17.022 0.842 -3.138 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.622 2.037 -3.749 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.062 -0.058 -2.661 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.259 2.331 -3.882 1.00 10.00 C ATOM 598 CE2 PHE A 38 14.699 0.237 -2.796 1.00 10.00 C ATOM 599 CZ PHE A 38 14.298 1.431 -3.406 1.00 10.00 C ATOM 0 H PHE A 38 18.810 -1.629 -3.960 1.00 10.00 H new ATOM 0 HA PHE A 38 18.569 1.007 -5.121 1.00 10.00 H new ATOM 0 HB2 PHE A 38 18.621 -0.417 -2.462 1.00 10.00 H new ATOM 0 HB3 PHE A 38 18.984 1.297 -2.401 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.363 2.731 -4.117 1.00 10.00 H new ATOM 0 HD2 PHE A 38 16.372 -0.979 -2.189 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.949 3.253 -4.352 1.00 10.00 H new ATOM 0 HE2 PHE A 38 13.958 -0.457 -2.429 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.247 1.658 -3.510 1.00 10.00 H new ATOM 609 N THR A 39 21.391 0.531 -3.493 1.00 10.00 N ATOM 610 CA THR A 39 22.784 1.060 -3.434 1.00 10.00 C ATOM 611 C THR A 39 23.335 1.239 -4.851 1.00 10.00 C ATOM 612 O THR A 39 23.993 2.215 -5.152 1.00 10.00 O ATOM 613 CB THR A 39 23.582 -0.002 -2.674 1.00 10.00 C ATOM 614 OG1 THR A 39 23.233 0.041 -1.298 1.00 10.00 O ATOM 615 CG2 THR A 39 25.081 0.268 -2.830 1.00 10.00 C ATOM 0 H THR A 39 21.178 -0.210 -2.825 1.00 10.00 H new ATOM 0 HA THR A 39 22.839 2.033 -2.945 1.00 10.00 H new ATOM 0 HB THR A 39 23.350 -0.987 -3.079 1.00 10.00 H new ATOM 0 HG1 THR A 39 22.274 -0.135 -1.198 1.00 10.00 H new ATOM 0 HG21 THR A 39 25.646 -0.490 -2.287 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.349 0.234 -3.886 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.317 1.253 -2.428 1.00 10.00 H new ATOM 623 N ARG A 40 23.067 0.307 -5.725 1.00 10.00 N ATOM 624 CA ARG A 40 23.572 0.430 -7.121 1.00 10.00 C ATOM 625 C ARG A 40 23.038 1.715 -7.758 1.00 10.00 C ATOM 626 O ARG A 40 23.750 2.421 -8.445 1.00 10.00 O ATOM 627 CB ARG A 40 23.029 -0.799 -7.851 1.00 10.00 C ATOM 628 CG ARG A 40 24.183 -1.749 -8.179 1.00 10.00 C ATOM 629 CD ARG A 40 23.649 -2.957 -8.953 1.00 10.00 C ATOM 630 NE ARG A 40 24.670 -4.023 -8.753 1.00 10.00 N ATOM 631 CZ ARG A 40 24.947 -4.853 -9.721 1.00 10.00 C ATOM 632 NH1 ARG A 40 24.979 -4.431 -10.956 1.00 10.00 N ATOM 633 NH2 ARG A 40 25.194 -6.107 -9.454 1.00 10.00 N ATOM 0 H ARG A 40 22.521 -0.533 -5.532 1.00 10.00 H new ATOM 0 HA ARG A 40 24.660 0.479 -7.166 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.291 -1.307 -7.230 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.521 -0.496 -8.767 1.00 10.00 H new ATOM 0 HG2 ARG A 40 24.938 -1.230 -8.770 1.00 10.00 H new ATOM 0 HG3 ARG A 40 24.669 -2.078 -7.260 1.00 10.00 H new ATOM 0 HD2 ARG A 40 22.674 -3.268 -8.577 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.523 -2.724 -10.010 1.00 10.00 H new ATOM 0 HE ARG A 40 25.153 -4.104 -7.858 1.00 10.00 H new ATOM 0 HH11 ARG A 40 24.787 -3.451 -11.165 1.00 10.00 H new ATOM 0 HH12 ARG A 40 25.196 -5.081 -11.712 1.00 10.00 H new ATOM 0 HH21 ARG A 40 25.170 -6.437 -8.489 1.00 10.00 H new ATOM 0 HH22 ARG A 40 25.411 -6.756 -10.210 1.00 10.00 H new ATOM 647 N LEU A 41 21.791 2.027 -7.530 1.00 10.00 N ATOM 648 CA LEU A 41 21.215 3.271 -8.119 1.00 10.00 C ATOM 649 C LEU A 41 22.029 4.487 -7.672 1.00 10.00 C ATOM 650 O LEU A 41 22.238 5.418 -8.423 1.00 10.00 O ATOM 651 CB LEU A 41 19.790 3.348 -7.569 1.00 10.00 C ATOM 652 CG LEU A 41 18.846 2.568 -8.484 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.739 1.123 -7.993 1.00 10.00 C ATOM 654 CD2 LEU A 41 17.461 3.217 -8.460 1.00 10.00 C ATOM 0 H LEU A 41 21.147 1.476 -6.963 1.00 10.00 H new ATOM 0 HA LEU A 41 21.229 3.259 -9.209 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.756 2.938 -6.560 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.471 4.388 -7.501 1.00 10.00 H new ATOM 0 HG LEU A 41 19.235 2.579 -9.502 1.00 10.00 H new ATOM 0 HD11 LEU A 41 18.066 0.566 -8.645 1.00 10.00 H new ATOM 0 HD12 LEU A 41 19.725 0.659 -8.009 1.00 10.00 H new ATOM 0 HD13 LEU A 41 18.349 1.113 -6.975 1.00 10.00 H new ATOM 0 HD21 LEU A 41 16.787 2.661 -9.112 1.00 10.00 H new ATOM 0 HD22 LEU A 41 17.072 3.206 -7.442 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.536 4.247 -8.809 1.00 10.00 H new ATOM 666 N ARG A 42 22.491 4.482 -6.452 1.00 10.00 N ATOM 667 CA ARG A 42 23.293 5.635 -5.952 1.00 10.00 C ATOM 668 C ARG A 42 24.629 5.711 -6.693 1.00 10.00 C ATOM 669 O ARG A 42 25.369 6.666 -6.565 1.00 10.00 O ATOM 670 CB ARG A 42 23.520 5.344 -4.470 1.00 10.00 C ATOM 671 CG ARG A 42 22.619 6.249 -3.625 1.00 10.00 C ATOM 672 CD ARG A 42 22.929 7.720 -3.926 1.00 10.00 C ATOM 673 NE ARG A 42 24.369 7.751 -4.311 1.00 10.00 N ATOM 674 CZ ARG A 42 25.289 7.829 -3.388 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.015 7.484 -2.162 1.00 10.00 N ATOM 676 NH2 ARG A 42 26.485 8.254 -3.694 1.00 10.00 N ATOM 0 H ARG A 42 22.348 3.729 -5.779 1.00 10.00 H new ATOM 0 HA ARG A 42 22.788 6.588 -6.109 1.00 10.00 H new ATOM 0 HB2 ARG A 42 23.303 4.297 -4.257 1.00 10.00 H new ATOM 0 HB3 ARG A 42 24.566 5.512 -4.212 1.00 10.00 H new ATOM 0 HG2 ARG A 42 21.572 6.037 -3.840 1.00 10.00 H new ATOM 0 HG3 ARG A 42 22.774 6.045 -2.566 1.00 10.00 H new ATOM 0 HD2 ARG A 42 22.299 8.097 -4.731 1.00 10.00 H new ATOM 0 HD3 ARG A 42 22.742 8.347 -3.054 1.00 10.00 H new ATOM 0 HE ARG A 42 24.635 7.711 -5.295 1.00 10.00 H new ATOM 0 HH11 ARG A 42 24.081 7.152 -1.922 1.00 10.00 H new ATOM 0 HH12 ARG A 42 25.735 7.545 -1.442 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.700 8.525 -4.654 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.204 8.315 -2.973 1.00 10.00 H new ATOM 690 N GLU A 43 24.946 4.708 -7.468 1.00 10.00 N ATOM 691 CA GLU A 43 26.235 4.723 -8.216 1.00 10.00 C ATOM 692 C GLU A 43 25.989 4.436 -9.700 1.00 10.00 C ATOM 693 O GLU A 43 26.908 4.376 -10.490 1.00 10.00 O ATOM 694 CB GLU A 43 27.070 3.607 -7.587 1.00 10.00 C ATOM 695 CG GLU A 43 27.130 3.804 -6.072 1.00 10.00 C ATOM 696 CD GLU A 43 28.413 3.176 -5.526 1.00 10.00 C ATOM 697 OE1 GLU A 43 29.430 3.851 -5.534 1.00 10.00 O ATOM 698 OE2 GLU A 43 28.358 2.030 -5.110 1.00 10.00 O ATOM 0 H GLU A 43 24.368 3.880 -7.615 1.00 10.00 H new ATOM 0 HA GLU A 43 26.735 5.690 -8.158 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.633 2.636 -7.821 1.00 10.00 H new ATOM 0 HB3 GLU A 43 28.077 3.612 -8.005 1.00 10.00 H new ATOM 0 HG2 GLU A 43 27.102 4.867 -5.831 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.260 3.347 -5.601 1.00 10.00 H new ATOM 915 N LEU B 11 10.146 -7.753 3.930 1.00 10.00 N ATOM 916 CA LEU B 11 9.930 -6.698 2.897 1.00 10.00 C ATOM 917 C LEU B 11 9.090 -5.553 3.471 1.00 10.00 C ATOM 918 O LEU B 11 9.590 -4.478 3.742 1.00 10.00 O ATOM 919 CB LEU B 11 9.178 -7.400 1.766 1.00 10.00 C ATOM 920 CG LEU B 11 8.676 -6.360 0.762 1.00 10.00 C ATOM 921 CD1 LEU B 11 9.856 -5.534 0.247 1.00 10.00 C ATOM 922 CD2 LEU B 11 8.005 -7.074 -0.413 1.00 10.00 C ATOM 0 HA LEU B 11 10.867 -6.260 2.554 1.00 10.00 H new ATOM 0 HB2 LEU B 11 9.834 -8.114 1.268 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.338 -7.966 2.170 1.00 10.00 H new ATOM 0 HG LEU B 11 7.958 -5.701 1.250 1.00 10.00 H new ATOM 0 HD11 LEU B 11 9.497 -4.794 -0.468 1.00 10.00 H new ATOM 0 HD12 LEU B 11 10.338 -5.027 1.083 1.00 10.00 H new ATOM 0 HD13 LEU B 11 10.575 -6.192 -0.242 1.00 10.00 H new ATOM 0 HD21 LEU B 11 7.646 -6.336 -1.130 1.00 10.00 H new ATOM 0 HD22 LEU B 11 8.726 -7.732 -0.899 1.00 10.00 H new ATOM 0 HD23 LEU B 11 7.164 -7.664 -0.048 1.00 10.00 H new ATOM 934 N THR B 12 7.817 -5.772 3.652 1.00 10.00 N ATOM 935 CA THR B 12 6.942 -4.696 4.202 1.00 10.00 C ATOM 936 C THR B 12 7.570 -4.079 5.452 1.00 10.00 C ATOM 937 O THR B 12 7.977 -2.934 5.457 1.00 10.00 O ATOM 938 CB THR B 12 5.628 -5.396 4.551 1.00 10.00 C ATOM 939 OG1 THR B 12 5.228 -6.220 3.466 1.00 10.00 O ATOM 940 CG2 THR B 12 4.547 -4.348 4.823 1.00 10.00 C ATOM 0 H THR B 12 7.343 -6.651 3.443 1.00 10.00 H new ATOM 0 HA THR B 12 6.797 -3.882 3.491 1.00 10.00 H new ATOM 0 HB THR B 12 5.769 -6.010 5.440 1.00 10.00 H new ATOM 0 HG1 THR B 12 5.444 -7.154 3.668 1.00 10.00 H new ATOM 0 HG21 THR B 12 3.611 -4.847 5.072 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.854 -3.716 5.657 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.405 -3.733 3.935 1.00 10.00 H new ATOM 948 N GLU B 13 7.641 -4.829 6.513 1.00 10.00 N ATOM 949 CA GLU B 13 8.233 -4.296 7.776 1.00 10.00 C ATOM 950 C GLU B 13 9.457 -3.424 7.471 1.00 10.00 C ATOM 951 O GLU B 13 9.596 -2.333 7.989 1.00 10.00 O ATOM 952 CB GLU B 13 8.622 -5.540 8.586 1.00 10.00 C ATOM 953 CG GLU B 13 10.146 -5.695 8.628 1.00 10.00 C ATOM 954 CD GLU B 13 10.516 -6.816 9.600 1.00 10.00 C ATOM 955 OE1 GLU B 13 9.621 -7.335 10.245 1.00 10.00 O ATOM 956 OE2 GLU B 13 11.691 -7.138 9.682 1.00 10.00 O ATOM 0 H GLU B 13 7.314 -5.794 6.563 1.00 10.00 H new ATOM 0 HA GLU B 13 7.538 -3.660 8.324 1.00 10.00 H new ATOM 0 HB2 GLU B 13 8.230 -5.459 9.600 1.00 10.00 H new ATOM 0 HB3 GLU B 13 8.172 -6.427 8.141 1.00 10.00 H new ATOM 0 HG2 GLU B 13 10.527 -5.922 7.632 1.00 10.00 H new ATOM 0 HG3 GLU B 13 10.609 -4.759 8.941 1.00 10.00 H new ATOM 963 N LEU B 14 10.344 -3.893 6.638 1.00 10.00 N ATOM 964 CA LEU B 14 11.553 -3.084 6.310 1.00 10.00 C ATOM 965 C LEU B 14 11.149 -1.814 5.557 1.00 10.00 C ATOM 966 O LEU B 14 11.791 -0.787 5.664 1.00 10.00 O ATOM 967 CB LEU B 14 12.408 -3.986 5.419 1.00 10.00 C ATOM 968 CG LEU B 14 13.099 -5.046 6.278 1.00 10.00 C ATOM 969 CD1 LEU B 14 13.727 -6.108 5.373 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.192 -4.386 7.121 1.00 10.00 C ATOM 0 H LEU B 14 10.285 -4.798 6.171 1.00 10.00 H new ATOM 0 HA LEU B 14 12.092 -2.768 7.203 1.00 10.00 H new ATOM 0 HB2 LEU B 14 11.785 -4.465 4.664 1.00 10.00 H new ATOM 0 HB3 LEU B 14 13.152 -3.391 4.889 1.00 10.00 H new ATOM 0 HG LEU B 14 12.366 -5.515 6.934 1.00 10.00 H new ATOM 0 HD11 LEU B 14 14.219 -6.863 5.986 1.00 10.00 H new ATOM 0 HD12 LEU B 14 12.950 -6.579 4.771 1.00 10.00 H new ATOM 0 HD13 LEU B 14 14.460 -5.639 4.716 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.685 -5.141 7.733 1.00 10.00 H new ATOM 0 HD22 LEU B 14 14.925 -3.917 6.464 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.746 -3.629 7.767 1.00 10.00 H new ATOM 982 N LEU B 15 10.090 -1.874 4.798 1.00 10.00 N ATOM 983 CA LEU B 15 9.646 -0.668 4.042 1.00 10.00 C ATOM 984 C LEU B 15 9.018 0.351 4.997 1.00 10.00 C ATOM 985 O LEU B 15 9.557 1.415 5.227 1.00 10.00 O ATOM 986 CB LEU B 15 8.606 -1.183 3.047 1.00 10.00 C ATOM 987 CG LEU B 15 8.961 -0.697 1.641 1.00 10.00 C ATOM 988 CD1 LEU B 15 9.212 0.811 1.668 1.00 10.00 C ATOM 989 CD2 LEU B 15 10.225 -1.414 1.159 1.00 10.00 C ATOM 0 H LEU B 15 9.513 -2.705 4.668 1.00 10.00 H new ATOM 0 HA LEU B 15 10.474 -0.166 3.541 1.00 10.00 H new ATOM 0 HB2 LEU B 15 8.574 -2.272 3.069 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.614 -0.829 3.326 1.00 10.00 H new ATOM 0 HG LEU B 15 8.136 -0.915 0.963 1.00 10.00 H new ATOM 0 HD11 LEU B 15 9.465 1.156 0.665 1.00 10.00 H new ATOM 0 HD12 LEU B 15 8.314 1.323 2.012 1.00 10.00 H new ATOM 0 HD13 LEU B 15 10.037 1.030 2.346 1.00 10.00 H new ATOM 0 HD21 LEU B 15 10.479 -1.069 0.157 1.00 10.00 H new ATOM 0 HD22 LEU B 15 11.049 -1.195 1.838 1.00 10.00 H new ATOM 0 HD23 LEU B 15 10.048 -2.489 1.138 1.00 10.00 H new ATOM 1001 N GLN B 16 7.883 0.032 5.556 1.00 10.00 N ATOM 1002 CA GLN B 16 7.224 0.982 6.497 1.00 10.00 C ATOM 1003 C GLN B 16 8.257 1.566 7.464 1.00 10.00 C ATOM 1004 O GLN B 16 8.175 2.713 7.857 1.00 10.00 O ATOM 1005 CB GLN B 16 6.195 0.141 7.253 1.00 10.00 C ATOM 1006 CG GLN B 16 4.785 0.555 6.829 1.00 10.00 C ATOM 1007 CD GLN B 16 3.783 0.114 7.897 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.113 -0.834 8.731 1.00 10.00 O flip ATOM 1009 NE2 GLN B 16 2.690 0.638 7.975 1.00 10.00 N flip ATOM 0 H GLN B 16 7.384 -0.844 5.402 1.00 10.00 H new ATOM 0 HA GLN B 16 6.761 1.823 5.981 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.352 -0.918 7.046 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.318 0.277 8.328 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.737 1.635 6.693 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.534 0.102 5.870 1.00 10.00 H new ATOM 0 HE21 GLN B 16 2.432 1.379 7.323 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.030 0.337 8.692 1.00 10.00 H new ATOM 1018 N GLY B 17 9.230 0.786 7.851 1.00 10.00 N ATOM 1019 CA GLY B 17 10.266 1.297 8.792 1.00 10.00 C ATOM 1020 C GLY B 17 11.162 2.306 8.071 1.00 10.00 C ATOM 1021 O GLY B 17 11.423 3.387 8.566 1.00 10.00 O ATOM 0 H GLY B 17 9.352 -0.183 7.556 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.790 1.768 9.652 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.866 0.470 9.173 1.00 10.00 H new ATOM 1025 N TYR B 18 11.631 1.970 6.900 1.00 10.00 N ATOM 1026 CA TYR B 18 12.500 2.910 6.153 1.00 10.00 C ATOM 1027 C TYR B 18 11.677 4.116 5.688 1.00 10.00 C ATOM 1028 O TYR B 18 12.105 5.249 5.788 1.00 10.00 O ATOM 1029 CB TYR B 18 13.006 2.088 4.972 1.00 10.00 C ATOM 1030 CG TYR B 18 12.916 2.905 3.718 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.652 4.085 3.607 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.101 2.479 2.673 1.00 10.00 C ATOM 1033 CE1 TYR B 18 13.575 4.847 2.436 1.00 10.00 C ATOM 1034 CE2 TYR B 18 12.016 3.237 1.499 1.00 10.00 C ATOM 1035 CZ TYR B 18 12.756 4.423 1.379 1.00 10.00 C ATOM 1036 OH TYR B 18 12.678 5.171 0.222 1.00 10.00 O ATOM 0 H TYR B 18 11.447 1.083 6.432 1.00 10.00 H new ATOM 0 HA TYR B 18 13.321 3.310 6.748 1.00 10.00 H new ATOM 0 HB2 TYR B 18 14.037 1.780 5.145 1.00 10.00 H new ATOM 0 HB3 TYR B 18 12.415 1.178 4.869 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.280 4.410 4.423 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.535 1.564 2.768 1.00 10.00 H new ATOM 0 HE1 TYR B 18 14.145 5.760 2.346 1.00 10.00 H new ATOM 0 HE2 TYR B 18 11.382 2.910 0.688 1.00 10.00 H new ATOM 0 HH TYR B 18 12.500 4.579 -0.539 1.00 10.00 H new ATOM 1046 N THR B 19 10.493 3.880 5.190 1.00 10.00 N ATOM 1047 CA THR B 19 9.640 5.012 4.733 1.00 10.00 C ATOM 1048 C THR B 19 9.365 5.957 5.904 1.00 10.00 C ATOM 1049 O THR B 19 9.283 7.159 5.741 1.00 10.00 O ATOM 1050 CB THR B 19 8.343 4.362 4.245 1.00 10.00 C ATOM 1051 OG1 THR B 19 8.552 3.802 2.957 1.00 10.00 O ATOM 1052 CG2 THR B 19 7.235 5.415 4.172 1.00 10.00 C ATOM 0 H THR B 19 10.081 2.953 5.080 1.00 10.00 H new ATOM 0 HA THR B 19 10.113 5.602 3.948 1.00 10.00 H new ATOM 0 HB THR B 19 8.047 3.576 4.940 1.00 10.00 H new ATOM 0 HG1 THR B 19 7.723 3.384 2.644 1.00 10.00 H new ATOM 0 HG21 THR B 19 6.313 4.949 3.824 1.00 10.00 H new ATOM 0 HG22 THR B 19 7.075 5.843 5.161 1.00 10.00 H new ATOM 0 HG23 THR B 19 7.527 6.203 3.478 1.00 10.00 H new ATOM 1060 N VAL B 20 9.227 5.422 7.087 1.00 10.00 N ATOM 1061 CA VAL B 20 8.965 6.288 8.271 1.00 10.00 C ATOM 1062 C VAL B 20 10.197 7.147 8.568 1.00 10.00 C ATOM 1063 O VAL B 20 10.095 8.232 9.106 1.00 10.00 O ATOM 1064 CB VAL B 20 8.686 5.317 9.421 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.993 5.996 10.757 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.212 4.905 9.390 1.00 10.00 C ATOM 0 H VAL B 20 9.284 4.423 7.284 1.00 10.00 H new ATOM 0 HA VAL B 20 8.131 6.972 8.114 1.00 10.00 H new ATOM 0 HB VAL B 20 9.318 4.436 9.310 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.793 5.301 11.573 1.00 10.00 H new ATOM 0 HG12 VAL B 20 10.042 6.293 10.782 1.00 10.00 H new ATOM 0 HG13 VAL B 20 8.363 6.879 10.870 1.00 10.00 H new ATOM 0 HG21 VAL B 20 7.010 4.213 10.208 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.585 5.790 9.500 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.990 4.418 8.440 1.00 10.00 H new ATOM 1076 N GLU B 21 11.361 6.672 8.215 1.00 10.00 N ATOM 1077 CA GLU B 21 12.596 7.475 8.472 1.00 10.00 C ATOM 1078 C GLU B 21 12.690 8.605 7.450 1.00 10.00 C ATOM 1079 O GLU B 21 13.283 9.636 7.696 1.00 10.00 O ATOM 1080 CB GLU B 21 13.780 6.517 8.293 1.00 10.00 C ATOM 1081 CG GLU B 21 13.340 5.078 8.545 1.00 10.00 C ATOM 1082 CD GLU B 21 14.493 4.290 9.168 1.00 10.00 C ATOM 1083 OE1 GLU B 21 15.631 4.671 8.950 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.217 3.319 9.853 1.00 10.00 O ATOM 0 H GLU B 21 11.512 5.770 7.763 1.00 10.00 H new ATOM 0 HA GLU B 21 12.588 7.914 9.470 1.00 10.00 H new ATOM 0 HB2 GLU B 21 14.182 6.610 7.284 1.00 10.00 H new ATOM 0 HB3 GLU B 21 14.581 6.785 8.982 1.00 10.00 H new ATOM 0 HG2 GLU B 21 12.475 5.062 9.209 1.00 10.00 H new ATOM 0 HG3 GLU B 21 13.032 4.612 7.609 1.00 10.00 H new ATOM 1091 N VAL B 22 12.113 8.410 6.299 1.00 10.00 N ATOM 1092 CA VAL B 22 12.168 9.461 5.247 1.00 10.00 C ATOM 1093 C VAL B 22 11.037 10.472 5.454 1.00 10.00 C ATOM 1094 O VAL B 22 11.220 11.663 5.300 1.00 10.00 O ATOM 1095 CB VAL B 22 11.985 8.716 3.922 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.732 9.458 2.817 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.544 7.295 4.039 1.00 10.00 C ATOM 0 H VAL B 22 11.604 7.565 6.040 1.00 10.00 H new ATOM 0 HA VAL B 22 13.105 10.018 5.271 1.00 10.00 H new ATOM 0 HB VAL B 22 10.922 8.667 3.684 1.00 10.00 H new ATOM 0 HG11 VAL B 22 12.603 8.929 1.872 1.00 10.00 H new ATOM 0 HG12 VAL B 22 12.334 10.469 2.724 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.793 9.507 3.064 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.410 6.772 3.092 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.606 7.340 4.281 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.015 6.760 4.827 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.871 10.005 5.803 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.733 10.940 6.022 1.00 10.00 C ATOM 1109 C LEU B 23B 9.058 11.902 7.166 1.00 10.00 C ATOM 1110 O LEU B 23B 8.727 13.070 7.122 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.549 10.046 6.395 1.00 10.00 C ATOM 1112 CG LEU B 23B 6.490 10.105 5.294 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.184 9.497 5.810 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 6.246 11.562 4.894 1.00 10.00 C ATOM 0 H LEU B 23B 9.657 9.018 5.946 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.522 11.548 5.142 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.886 9.019 6.533 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.120 10.371 7.343 1.00 10.00 H new ATOM 0 HG LEU B 23B 6.839 9.543 4.427 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 4.428 9.539 5.026 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 5.354 8.459 6.095 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 4.838 10.060 6.677 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 5.491 11.602 4.109 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 5.899 12.124 5.761 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 7.175 11.999 4.527 1.00 10.00 H new ATOM 1126 N ARG B 24 9.706 11.418 8.191 1.00 10.00 N ATOM 1127 CA ARG B 24 10.053 12.305 9.340 1.00 10.00 C ATOM 1128 C ARG B 24 11.342 13.075 9.042 1.00 10.00 C ATOM 1129 O ARG B 24 11.399 14.282 9.174 1.00 10.00 O ATOM 1130 CB ARG B 24 10.255 11.358 10.523 1.00 10.00 C ATOM 1131 CG ARG B 24 8.927 11.173 11.262 1.00 10.00 C ATOM 1132 CD ARG B 24 7.861 10.676 10.282 1.00 10.00 C ATOM 1133 NE ARG B 24 6.653 10.437 11.120 1.00 10.00 N ATOM 1134 CZ ARG B 24 5.580 9.923 10.584 1.00 10.00 C ATOM 1135 NH1 ARG B 24 4.867 10.626 9.748 1.00 10.00 N ATOM 1136 NH2 ARG B 24 5.219 8.706 10.884 1.00 10.00 N ATOM 0 H ARG B 24 10.010 10.449 8.283 1.00 10.00 H new ATOM 0 HA ARG B 24 9.279 13.046 9.539 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.625 10.395 10.172 1.00 10.00 H new ATOM 0 HB3 ARG B 24 11.007 11.761 11.201 1.00 10.00 H new ATOM 0 HG2 ARG B 24 9.048 10.459 12.076 1.00 10.00 H new ATOM 0 HG3 ARG B 24 8.613 12.116 11.709 1.00 10.00 H new ATOM 0 HD2 ARG B 24 7.663 11.415 9.505 1.00 10.00 H new ATOM 0 HD3 ARG B 24 8.181 9.763 9.780 1.00 10.00 H new ATOM 0 HE ARG B 24 6.664 10.675 12.112 1.00 10.00 H new ATOM 0 HH11 ARG B 24 5.148 11.578 9.513 1.00 10.00 H new ATOM 0 HH12 ARG B 24 4.028 10.224 9.329 1.00 10.00 H new ATOM 0 HH21 ARG B 24 5.776 8.156 11.538 1.00 10.00 H new ATOM 0 HH22 ARG B 24 4.380 8.305 10.465 1.00 10.00 H new ATOM 1150 N GLN B 25 12.377 12.388 8.640 1.00 10.00 N ATOM 1151 CA GLN B 25 13.659 13.085 8.334 1.00 10.00 C ATOM 1152 C GLN B 25 13.539 13.858 7.020 1.00 10.00 C ATOM 1153 O GLN B 25 14.171 14.878 6.829 1.00 10.00 O ATOM 1154 CB GLN B 25 14.698 11.971 8.205 1.00 10.00 C ATOM 1155 CG GLN B 25 14.724 11.142 9.490 1.00 10.00 C ATOM 1156 CD GLN B 25 15.661 11.801 10.504 1.00 10.00 C ATOM 1157 OE1 GLN B 25 15.224 12.557 11.350 1.00 10.00 O ATOM 1158 NE2 GLN B 25 16.940 11.548 10.453 1.00 10.00 N ATOM 0 H GLN B 25 12.390 11.376 8.510 1.00 10.00 H new ATOM 0 HA GLN B 25 13.929 13.806 9.105 1.00 10.00 H new ATOM 0 HB2 GLN B 25 14.459 11.334 7.354 1.00 10.00 H new ATOM 0 HB3 GLN B 25 15.683 12.398 8.016 1.00 10.00 H new ATOM 0 HG2 GLN B 25 13.719 11.064 9.905 1.00 10.00 H new ATOM 0 HG3 GLN B 25 15.060 10.128 9.274 1.00 10.00 H new ATOM 0 HE21 GLN B 25 17.307 10.914 9.743 1.00 10.00 H new ATOM 0 HE22 GLN B 25 17.573 11.984 11.123 1.00 10.00 H new ATOM 1167 N GLN B 26 12.735 13.378 6.113 1.00 10.00 N ATOM 1168 CA GLN B 26 12.575 14.081 4.808 1.00 10.00 C ATOM 1169 C GLN B 26 13.931 14.594 4.318 1.00 10.00 C ATOM 1170 O GLN B 26 14.146 15.785 4.216 1.00 10.00 O ATOM 1171 CB GLN B 26 11.631 15.248 5.098 1.00 10.00 C ATOM 1172 CG GLN B 26 10.253 14.955 4.499 1.00 10.00 C ATOM 1173 CD GLN B 26 10.399 14.640 3.010 1.00 10.00 C ATOM 1174 OE1 GLN B 26 11.458 15.050 2.368 1.00 10.00 O flip ATOM 1175 NE2 GLN B 26 9.538 14.014 2.423 1.00 10.00 N flip ATOM 0 H GLN B 26 12.181 12.528 6.218 1.00 10.00 H new ATOM 0 HA GLN B 26 12.182 13.426 4.030 1.00 10.00 H new ATOM 0 HB2 GLN B 26 11.546 15.401 6.174 1.00 10.00 H new ATOM 0 HB3 GLN B 26 12.034 16.169 4.676 1.00 10.00 H new ATOM 0 HG2 GLN B 26 9.792 14.113 5.016 1.00 10.00 H new ATOM 0 HG3 GLN B 26 9.595 15.813 4.637 1.00 10.00 H new ATOM 0 HE21 GLN B 26 8.710 13.693 2.924 1.00 10.00 H new ATOM 0 HE22 GLN B 26 9.644 13.810 1.429 1.00 10.00 H new ATOM 1184 N PRO B 27 14.807 13.666 4.037 1.00 10.00 N ATOM 1185 CA PRO B 27 16.165 14.018 3.558 1.00 10.00 C ATOM 1186 C PRO B 27 16.105 14.599 2.143 1.00 10.00 C ATOM 1187 O PRO B 27 15.148 14.392 1.425 1.00 10.00 O ATOM 1188 CB PRO B 27 16.906 12.683 3.569 1.00 10.00 C ATOM 1189 CG PRO B 27 15.832 11.651 3.449 1.00 10.00 C ATOM 1190 CD PRO B 27 14.617 12.218 4.135 1.00 10.00 C ATOM 0 HA PRO B 27 16.651 14.776 4.173 1.00 10.00 H new ATOM 0 HB2 PRO B 27 17.613 12.616 2.742 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.477 12.555 4.488 1.00 10.00 H new ATOM 0 HG2 PRO B 27 15.620 11.431 2.403 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.139 10.715 3.915 1.00 10.00 H new ATOM 0 HD2 PRO B 27 13.696 11.901 3.645 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.555 11.892 5.173 1.00 10.00 H new ATOM 1198 N PRO B 28 17.142 15.309 1.791 1.00 10.00 N ATOM 1199 CA PRO B 28 17.224 15.931 0.448 1.00 10.00 C ATOM 1200 C PRO B 28 17.394 14.855 -0.627 1.00 10.00 C ATOM 1201 O PRO B 28 17.117 15.074 -1.790 1.00 10.00 O ATOM 1202 CB PRO B 28 18.465 16.816 0.537 1.00 10.00 C ATOM 1203 CG PRO B 28 19.292 16.203 1.617 1.00 10.00 C ATOM 1204 CD PRO B 28 18.327 15.597 2.602 1.00 10.00 C ATOM 0 HA PRO B 28 16.329 16.491 0.178 1.00 10.00 H new ATOM 0 HB2 PRO B 28 19.004 16.838 -0.410 1.00 10.00 H new ATOM 0 HB3 PRO B 28 18.200 17.846 0.777 1.00 10.00 H new ATOM 0 HG2 PRO B 28 19.960 15.443 1.211 1.00 10.00 H new ATOM 0 HG3 PRO B 28 19.919 16.953 2.099 1.00 10.00 H new ATOM 0 HD2 PRO B 28 18.732 14.692 3.055 1.00 10.00 H new ATOM 0 HD3 PRO B 28 18.099 16.286 3.415 1.00 10.00 H new ATOM 1212 N ASP B 29 17.844 13.691 -0.246 1.00 10.00 N ATOM 1213 CA ASP B 29 18.031 12.598 -1.242 1.00 10.00 C ATOM 1214 C ASP B 29 17.547 11.267 -0.658 1.00 10.00 C ATOM 1215 O ASP B 29 18.036 10.809 0.355 1.00 10.00 O ATOM 1216 CB ASP B 29 19.536 12.553 -1.503 1.00 10.00 C ATOM 1217 CG ASP B 29 19.995 13.895 -2.079 1.00 10.00 C ATOM 1218 OD1 ASP B 29 19.677 14.163 -3.226 1.00 10.00 O ATOM 1219 OD2 ASP B 29 20.655 14.630 -1.364 1.00 10.00 O ATOM 0 H ASP B 29 18.091 13.449 0.714 1.00 10.00 H new ATOM 0 HA ASP B 29 17.465 12.770 -2.157 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.070 12.341 -0.577 1.00 10.00 H new ATOM 0 HB3 ASP B 29 19.771 11.747 -2.198 1.00 10.00 H new ATOM 1224 N LEU B 30 16.589 10.645 -1.287 1.00 10.00 N ATOM 1225 CA LEU B 30 16.075 9.346 -0.764 1.00 10.00 C ATOM 1226 C LEU B 30 16.996 8.203 -1.192 1.00 10.00 C ATOM 1227 O LEU B 30 17.641 7.579 -0.374 1.00 10.00 O ATOM 1228 CB LEU B 30 14.693 9.185 -1.398 1.00 10.00 C ATOM 1229 CG LEU B 30 13.686 8.711 -0.347 1.00 10.00 C ATOM 1230 CD1 LEU B 30 12.535 7.984 -1.044 1.00 10.00 C ATOM 1231 CD2 LEU B 30 14.372 7.755 0.632 1.00 10.00 C ATOM 0 H LEU B 30 16.139 10.979 -2.140 1.00 10.00 H new ATOM 0 HA LEU B 30 16.030 9.327 0.325 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.367 10.134 -1.824 1.00 10.00 H new ATOM 0 HB3 LEU B 30 14.741 8.467 -2.217 1.00 10.00 H new ATOM 0 HG LEU B 30 13.301 9.571 0.200 1.00 10.00 H new ATOM 0 HD11 LEU B 30 11.815 7.644 -0.299 1.00 10.00 H new ATOM 0 HD12 LEU B 30 12.044 8.664 -1.740 1.00 10.00 H new ATOM 0 HD13 LEU B 30 12.925 7.125 -1.590 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.652 7.420 1.378 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.759 6.893 0.088 1.00 10.00 H new ATOM 0 HD23 LEU B 30 15.195 8.270 1.127 1.00 10.00 H new ATOM 1243 N VAL B 31 17.059 7.926 -2.469 1.00 10.00 N ATOM 1244 CA VAL B 31 17.940 6.823 -2.963 1.00 10.00 C ATOM 1245 C VAL B 31 19.122 6.635 -2.016 1.00 10.00 C ATOM 1246 O VAL B 31 19.379 5.556 -1.520 1.00 10.00 O ATOM 1247 CB VAL B 31 18.443 7.300 -4.323 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.096 6.132 -5.065 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.268 7.832 -5.147 1.00 10.00 C ATOM 0 H VAL B 31 16.537 8.418 -3.194 1.00 10.00 H new ATOM 0 HA VAL B 31 17.411 5.872 -3.024 1.00 10.00 H new ATOM 0 HB VAL B 31 19.175 8.095 -4.179 1.00 10.00 H new ATOM 0 HG11 VAL B 31 19.455 6.473 -6.036 1.00 10.00 H new ATOM 0 HG12 VAL B 31 19.935 5.753 -4.481 1.00 10.00 H new ATOM 0 HG13 VAL B 31 18.364 5.337 -5.208 1.00 10.00 H new ATOM 0 HG21 VAL B 31 17.629 8.172 -6.118 1.00 10.00 H new ATOM 0 HG22 VAL B 31 16.535 7.038 -5.290 1.00 10.00 H new ATOM 0 HG23 VAL B 31 16.802 8.665 -4.621 1.00 10.00 H new ATOM 1259 N ASP B 32 19.837 7.692 -1.765 1.00 10.00 N ATOM 1260 CA ASP B 32 21.006 7.611 -0.853 1.00 10.00 C ATOM 1261 C ASP B 32 20.538 7.297 0.570 1.00 10.00 C ATOM 1262 O ASP B 32 21.062 6.418 1.224 1.00 10.00 O ATOM 1263 CB ASP B 32 21.633 8.999 -0.933 1.00 10.00 C ATOM 1264 CG ASP B 32 23.144 8.895 -0.722 1.00 10.00 C ATOM 1265 OD1 ASP B 32 23.569 7.953 -0.074 1.00 10.00 O ATOM 1266 OD2 ASP B 32 23.851 9.761 -1.210 1.00 10.00 O ATOM 0 H ASP B 32 19.660 8.617 -2.157 1.00 10.00 H new ATOM 0 HA ASP B 32 21.711 6.826 -1.125 1.00 10.00 H new ATOM 0 HB2 ASP B 32 21.422 9.449 -1.903 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.195 9.651 -0.177 1.00 10.00 H new ATOM 1271 N PHE B 33 19.549 7.999 1.052 1.00 10.00 N ATOM 1272 CA PHE B 33 19.050 7.724 2.428 1.00 10.00 C ATOM 1273 C PHE B 33 18.466 6.311 2.490 1.00 10.00 C ATOM 1274 O PHE B 33 18.718 5.563 3.414 1.00 10.00 O ATOM 1275 CB PHE B 33 17.959 8.763 2.684 1.00 10.00 C ATOM 1276 CG PHE B 33 17.292 8.463 4.006 1.00 10.00 C ATOM 1277 CD1 PHE B 33 16.276 7.501 4.075 1.00 10.00 C ATOM 1278 CD2 PHE B 33 17.693 9.142 5.164 1.00 10.00 C ATOM 1279 CE1 PHE B 33 15.664 7.217 5.302 1.00 10.00 C ATOM 1280 CE2 PHE B 33 17.079 8.858 6.390 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.064 7.896 6.458 1.00 10.00 C ATOM 0 H PHE B 33 19.067 8.748 0.555 1.00 10.00 H new ATOM 0 HA PHE B 33 19.842 7.785 3.174 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.389 9.764 2.698 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.224 8.743 1.879 1.00 10.00 H new ATOM 0 HD1 PHE B 33 15.965 6.979 3.182 1.00 10.00 H new ATOM 0 HD2 PHE B 33 18.476 9.884 5.111 1.00 10.00 H new ATOM 0 HE1 PHE B 33 14.883 6.473 5.356 1.00 10.00 H new ATOM 0 HE2 PHE B 33 17.388 9.381 7.283 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.590 7.678 7.403 1.00 10.00 H new ATOM 1291 N ALA B 34 17.691 5.940 1.507 1.00 10.00 N ATOM 1292 CA ALA B 34 17.094 4.575 1.504 1.00 10.00 C ATOM 1293 C ALA B 34 18.199 3.521 1.399 1.00 10.00 C ATOM 1294 O ALA B 34 18.030 2.389 1.806 1.00 10.00 O ATOM 1295 CB ALA B 34 16.198 4.539 0.264 1.00 10.00 C ATOM 0 H ALA B 34 17.446 6.523 0.707 1.00 10.00 H new ATOM 0 HA ALA B 34 16.536 4.363 2.416 1.00 10.00 H new ATOM 0 HB1 ALA B 34 15.719 3.563 0.189 1.00 10.00 H new ATOM 0 HB2 ALA B 34 15.434 5.312 0.345 1.00 10.00 H new ATOM 0 HB3 ALA B 34 16.801 4.716 -0.626 1.00 10.00 H new ATOM 1301 N VAL B 35 19.331 3.885 0.858 1.00 10.00 N ATOM 1302 CA VAL B 35 20.445 2.911 0.731 1.00 10.00 C ATOM 1303 C VAL B 35 21.276 2.908 2.018 1.00 10.00 C ATOM 1304 O VAL B 35 21.579 1.870 2.570 1.00 10.00 O ATOM 1305 CB VAL B 35 21.265 3.423 -0.453 1.00 10.00 C ATOM 1306 CG1 VAL B 35 22.731 3.038 -0.272 1.00 10.00 C ATOM 1307 CG2 VAL B 35 20.733 2.805 -1.746 1.00 10.00 C ATOM 0 H VAL B 35 19.529 4.819 0.499 1.00 10.00 H new ATOM 0 HA VAL B 35 20.105 1.887 0.575 1.00 10.00 H new ATOM 0 HB VAL B 35 21.182 4.509 -0.505 1.00 10.00 H new ATOM 0 HG11 VAL B 35 23.311 3.405 -1.119 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.112 3.480 0.648 1.00 10.00 H new ATOM 0 HG13 VAL B 35 22.818 1.953 -0.216 1.00 10.00 H new ATOM 0 HG21 VAL B 35 21.317 3.170 -2.591 1.00 10.00 H new ATOM 0 HG22 VAL B 35 20.814 1.719 -1.691 1.00 10.00 H new ATOM 0 HG23 VAL B 35 19.688 3.085 -1.880 1.00 10.00 H new ATOM 1317 N GLU B 36 21.641 4.065 2.497 1.00 10.00 N ATOM 1318 CA GLU B 36 22.449 4.134 3.749 1.00 10.00 C ATOM 1319 C GLU B 36 21.722 3.400 4.881 1.00 10.00 C ATOM 1320 O GLU B 36 22.321 2.663 5.639 1.00 10.00 O ATOM 1321 CB GLU B 36 22.576 5.633 4.050 1.00 10.00 C ATOM 1322 CG GLU B 36 22.199 5.914 5.508 1.00 10.00 C ATOM 1323 CD GLU B 36 22.780 7.262 5.935 1.00 10.00 C ATOM 1324 OE1 GLU B 36 23.872 7.582 5.494 1.00 10.00 O ATOM 1325 OE2 GLU B 36 22.124 7.954 6.697 1.00 10.00 O ATOM 0 H GLU B 36 21.415 4.966 2.076 1.00 10.00 H new ATOM 0 HA GLU B 36 23.426 3.661 3.649 1.00 10.00 H new ATOM 0 HB2 GLU B 36 23.597 5.964 3.861 1.00 10.00 H new ATOM 0 HB3 GLU B 36 21.928 6.201 3.383 1.00 10.00 H new ATOM 0 HG2 GLU B 36 21.115 5.922 5.619 1.00 10.00 H new ATOM 0 HG3 GLU B 36 22.580 5.122 6.152 1.00 10.00 H new ATOM 1332 N TYR B 37 20.438 3.595 5.000 1.00 10.00 N ATOM 1333 CA TYR B 37 19.679 2.905 6.081 1.00 10.00 C ATOM 1334 C TYR B 37 19.661 1.396 5.832 1.00 10.00 C ATOM 1335 O TYR B 37 20.091 0.616 6.658 1.00 10.00 O ATOM 1336 CB TYR B 37 18.263 3.479 6.000 1.00 10.00 C ATOM 1337 CG TYR B 37 17.379 2.781 7.005 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.743 2.752 8.357 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.194 2.163 6.586 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.923 2.106 9.289 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.374 1.516 7.518 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.739 1.488 8.871 1.00 10.00 C ATOM 1343 OH TYR B 37 14.931 0.850 9.790 1.00 10.00 O ATOM 0 H TYR B 37 19.882 4.201 4.397 1.00 10.00 H new ATOM 0 HA TYR B 37 20.126 3.060 7.063 1.00 10.00 H new ATOM 0 HB2 TYR B 37 18.282 4.551 6.198 1.00 10.00 H new ATOM 0 HB3 TYR B 37 17.863 3.348 4.995 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.657 3.228 8.680 1.00 10.00 H new ATOM 0 HD2 TYR B 37 15.913 2.186 5.544 1.00 10.00 H new ATOM 0 HE1 TYR B 37 17.204 2.084 10.332 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.461 1.039 7.195 1.00 10.00 H new ATOM 0 HH TYR B 37 14.325 1.502 10.201 1.00 10.00 H new ATOM 1353 N PHE B 38 19.168 0.980 4.699 1.00 10.00 N ATOM 1354 CA PHE B 38 19.123 -0.480 4.395 1.00 10.00 C ATOM 1355 C PHE B 38 20.539 -1.062 4.374 1.00 10.00 C ATOM 1356 O PHE B 38 20.869 -1.944 5.141 1.00 10.00 O ATOM 1357 CB PHE B 38 18.479 -0.574 3.014 1.00 10.00 C ATOM 1358 CG PHE B 38 17.009 -0.881 3.166 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.604 -2.071 3.782 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.051 0.025 2.693 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.240 -2.356 3.925 1.00 10.00 C ATOM 1362 CE2 PHE B 38 14.688 -0.260 2.836 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.282 -1.451 3.452 1.00 10.00 C ATOM 0 H PHE B 38 18.794 1.587 3.969 1.00 10.00 H new ATOM 0 HA PHE B 38 18.565 -1.042 5.143 1.00 10.00 H new ATOM 0 HB2 PHE B 38 18.612 0.363 2.474 1.00 10.00 H new ATOM 0 HB3 PHE B 38 18.965 -1.352 2.426 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.343 -2.769 4.147 1.00 10.00 H new ATOM 0 HD2 PHE B 38 16.364 0.943 2.218 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.927 -3.274 4.400 1.00 10.00 H new ATOM 0 HE2 PHE B 38 13.949 0.438 2.471 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.230 -1.671 3.562 1.00 10.00 H new ATOM 1373 N THR B 39 21.380 -0.576 3.502 1.00 10.00 N ATOM 1374 CA THR B 39 22.773 -1.107 3.439 1.00 10.00 C ATOM 1375 C THR B 39 23.329 -1.283 4.854 1.00 10.00 C ATOM 1376 O THR B 39 23.988 -2.258 5.156 1.00 10.00 O ATOM 1377 CB THR B 39 23.569 -0.046 2.674 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.212 -0.091 1.299 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.068 -0.318 2.822 1.00 10.00 C ATOM 0 H THR B 39 21.165 0.163 2.833 1.00 10.00 H new ATOM 0 HA THR B 39 22.826 -2.081 2.952 1.00 10.00 H new ATOM 0 HB THR B 39 23.341 0.940 3.079 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.989 0.146 0.751 1.00 10.00 H new ATOM 0 HG21 THR B 39 25.631 0.439 2.276 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.342 -0.284 3.877 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.300 -1.304 2.419 1.00 10.00 H new ATOM 1387 N ARG B 40 23.066 -0.349 5.726 1.00 10.00 N ATOM 1388 CA ARG B 40 23.576 -0.468 7.121 1.00 10.00 C ATOM 1389 C ARG B 40 23.037 -1.748 7.766 1.00 10.00 C ATOM 1390 O ARG B 40 23.746 -2.455 8.453 1.00 10.00 O ATOM 1391 CB ARG B 40 23.042 0.767 7.848 1.00 10.00 C ATOM 1392 CG ARG B 40 24.202 1.711 8.171 1.00 10.00 C ATOM 1393 CD ARG B 40 23.678 2.923 8.945 1.00 10.00 C ATOM 1394 NE ARG B 40 24.695 3.989 8.726 1.00 10.00 N ATOM 1395 CZ ARG B 40 24.984 4.826 9.684 1.00 10.00 C ATOM 1396 NH1 ARG B 40 25.036 4.412 10.921 1.00 10.00 N ATOM 1397 NH2 ARG B 40 25.221 6.079 9.406 1.00 10.00 N ATOM 0 H ARG B 40 22.520 0.491 5.533 1.00 10.00 H new ATOM 0 HA ARG B 40 24.664 -0.522 7.162 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.306 1.278 7.227 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.534 0.471 8.766 1.00 10.00 H new ATOM 0 HG2 ARG B 40 24.956 1.189 8.760 1.00 10.00 H new ATOM 0 HG3 ARG B 40 24.686 2.036 7.250 1.00 10.00 H new ATOM 0 HD2 ARG B 40 22.698 3.231 8.580 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.566 2.696 10.005 1.00 10.00 H new ATOM 0 HE ARG B 40 25.167 4.065 7.825 1.00 10.00 H new ATOM 0 HH11 ARG B 40 24.851 3.433 11.139 1.00 10.00 H new ATOM 0 HH12 ARG B 40 25.262 5.067 11.669 1.00 10.00 H new ATOM 0 HH21 ARG B 40 25.180 6.404 8.440 1.00 10.00 H new ATOM 0 HH22 ARG B 40 25.447 6.734 10.155 1.00 10.00 H new ATOM 1411 N LEU B 41 21.786 -2.052 7.545 1.00 10.00 N ATOM 1412 CA LEU B 41 21.206 -3.288 8.142 1.00 10.00 C ATOM 1413 C LEU B 41 22.011 -4.512 7.697 1.00 10.00 C ATOM 1414 O LEU B 41 22.215 -5.442 8.450 1.00 10.00 O ATOM 1415 CB LEU B 41 19.777 -3.361 7.598 1.00 10.00 C ATOM 1416 CG LEU B 41 18.841 -2.565 8.509 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.731 -1.128 8.000 1.00 10.00 C ATOM 1418 CD2 LEU B 41 17.455 -3.214 8.505 1.00 10.00 C ATOM 0 H LEU B 41 21.143 -1.499 6.978 1.00 10.00 H new ATOM 0 HA LEU B 41 21.225 -3.270 9.232 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.742 -2.961 6.585 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.451 -4.400 7.542 1.00 10.00 H new ATOM 0 HG LEU B 41 19.239 -2.560 9.524 1.00 10.00 H new ATOM 0 HD11 LEU B 41 18.064 -0.562 8.650 1.00 10.00 H new ATOM 0 HD12 LEU B 41 19.718 -0.665 8.001 1.00 10.00 H new ATOM 0 HD13 LEU B 41 18.333 -1.131 6.985 1.00 10.00 H new ATOM 0 HD21 LEU B 41 16.786 -2.648 9.154 1.00 10.00 H new ATOM 0 HD22 LEU B 41 17.058 -3.218 7.490 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.532 -4.239 8.869 1.00 10.00 H new ATOM 1430 N ARG B 42 22.472 -4.513 6.476 1.00 10.00 N ATOM 1431 CA ARG B 42 23.266 -5.672 5.979 1.00 10.00 C ATOM 1432 C ARG B 42 24.605 -5.750 6.718 1.00 10.00 C ATOM 1433 O ARG B 42 25.339 -6.711 6.595 1.00 10.00 O ATOM 1434 CB ARG B 42 23.488 -5.389 4.493 1.00 10.00 C ATOM 1435 CG ARG B 42 22.575 -6.290 3.657 1.00 10.00 C ATOM 1436 CD ARG B 42 22.875 -7.762 3.960 1.00 10.00 C ATOM 1437 NE ARG B 42 24.318 -7.803 4.334 1.00 10.00 N ATOM 1438 CZ ARG B 42 25.230 -7.883 3.405 1.00 10.00 C ATOM 1439 NH1 ARG B 42 24.942 -7.547 2.178 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.431 -8.299 3.703 1.00 10.00 N ATOM 0 H ARG B 42 22.333 -3.761 5.801 1.00 10.00 H new ATOM 0 HA ARG B 42 22.758 -6.623 6.142 1.00 10.00 H new ATOM 0 HB2 ARG B 42 23.279 -4.341 4.277 1.00 10.00 H new ATOM 0 HB3 ARG B 42 24.531 -5.567 4.230 1.00 10.00 H new ATOM 0 HG2 ARG B 42 21.531 -6.070 3.878 1.00 10.00 H new ATOM 0 HG3 ARG B 42 22.725 -6.090 2.596 1.00 10.00 H new ATOM 0 HD2 ARG B 42 22.248 -8.132 4.771 1.00 10.00 H new ATOM 0 HD3 ARG B 42 22.676 -8.390 3.092 1.00 10.00 H new ATOM 0 HE ARG B 42 24.592 -7.768 5.316 1.00 10.00 H new ATOM 0 HH11 ARG B 42 24.004 -7.222 1.945 1.00 10.00 H new ATOM 0 HH12 ARG B 42 25.655 -7.609 1.451 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.656 -8.562 4.663 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.144 -8.361 2.976 1.00 10.00 H new