USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 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 Single : A 12 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 165:sc= -1.15 USER MOD Single : A 19 THR OG1 : rot -40:sc= -1.43 USER MOD Single : A 25 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.8!) USER MOD Single : A 26 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.4!) USER MOD Single : A 37 TYR OH : rot -66:sc= 0.0119 USER MOD Single : A 39 THR OG1 : rot -150:sc= -2.1 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 TYR OH : rot 174:sc= -1.4 USER MOD Single : B 19 THR OG1 : rot -40:sc= -1.43 USER MOD Single : B 25 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.9!) USER MOD Single : B 26 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.4!) USER MOD Single : B 37 TYR OH : rot -65:sc= 0.0143 USER MOD Single : B 39 THR OG1 : rot -150:sc= -2.2 USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 11 10.783 7.444 -3.830 1.00 10.00 N ATOM 152 CA LEU A 11 10.450 6.202 -3.072 1.00 10.00 C ATOM 153 C LEU A 11 9.448 5.350 -3.855 1.00 10.00 C ATOM 154 O LEU A 11 9.658 4.174 -4.075 1.00 10.00 O ATOM 155 CB LEU A 11 9.834 6.685 -1.758 1.00 10.00 C ATOM 156 CG LEU A 11 10.054 5.631 -0.671 1.00 10.00 C ATOM 157 CD1 LEU A 11 11.535 5.251 -0.611 1.00 10.00 C ATOM 158 CD2 LEU A 11 9.623 6.201 0.682 1.00 10.00 C ATOM 0 HA LEU A 11 11.329 5.579 -2.903 1.00 10.00 H new ATOM 0 HB2 LEU A 11 10.286 7.631 -1.459 1.00 10.00 H new ATOM 0 HB3 LEU A 11 8.768 6.869 -1.890 1.00 10.00 H new ATOM 0 HG LEU A 11 9.463 4.745 -0.903 1.00 10.00 H new ATOM 0 HD11 LEU A 11 11.687 4.500 0.164 1.00 10.00 H new ATOM 0 HD12 LEU A 11 11.846 4.846 -1.574 1.00 10.00 H new ATOM 0 HD13 LEU A 11 12.129 6.136 -0.381 1.00 10.00 H new ATOM 0 HD21 LEU A 11 9.779 5.452 1.459 1.00 10.00 H new ATOM 0 HD22 LEU A 11 10.215 7.087 0.909 1.00 10.00 H new ATOM 0 HD23 LEU A 11 8.567 6.470 0.644 1.00 10.00 H new ATOM 170 N THR A 12 8.361 5.932 -4.279 1.00 10.00 N ATOM 171 CA THR A 12 7.351 5.150 -5.046 1.00 10.00 C ATOM 172 C THR A 12 8.033 4.338 -6.151 1.00 10.00 C ATOM 173 O THR A 12 8.265 3.154 -6.012 1.00 10.00 O ATOM 174 CB THR A 12 6.408 6.197 -5.644 1.00 10.00 C ATOM 175 OG1 THR A 12 5.973 7.079 -4.619 1.00 10.00 O ATOM 176 CG2 THR A 12 5.198 5.500 -6.267 1.00 10.00 C ATOM 0 H THR A 12 8.128 6.914 -4.128 1.00 10.00 H new ATOM 0 HA THR A 12 6.818 4.436 -4.418 1.00 10.00 H new ATOM 0 HB THR A 12 6.933 6.763 -6.413 1.00 10.00 H new ATOM 0 HG1 THR A 12 5.370 7.751 -5.000 1.00 10.00 H new ATOM 0 HG21 THR A 12 4.527 6.246 -6.692 1.00 10.00 H new ATOM 0 HG22 THR A 12 5.533 4.823 -7.053 1.00 10.00 H new ATOM 0 HG23 THR A 12 4.670 4.933 -5.500 1.00 10.00 H new ATOM 184 N GLU A 13 8.352 4.964 -7.247 1.00 10.00 N ATOM 185 CA GLU A 13 9.015 4.228 -8.362 1.00 10.00 C ATOM 186 C GLU A 13 10.100 3.292 -7.822 1.00 10.00 C ATOM 187 O GLU A 13 9.968 2.085 -7.868 1.00 10.00 O ATOM 188 CB GLU A 13 9.635 5.315 -9.241 1.00 10.00 C ATOM 189 CG GLU A 13 8.868 5.400 -10.562 1.00 10.00 C ATOM 190 CD GLU A 13 9.744 4.863 -11.695 1.00 10.00 C ATOM 191 OE1 GLU A 13 10.954 4.947 -11.574 1.00 10.00 O ATOM 192 OE2 GLU A 13 9.187 4.377 -12.667 1.00 10.00 O ATOM 0 H GLU A 13 8.183 5.955 -7.421 1.00 10.00 H new ATOM 0 HA GLU A 13 8.312 3.605 -8.914 1.00 10.00 H new ATOM 0 HB2 GLU A 13 9.603 6.276 -8.727 1.00 10.00 H new ATOM 0 HB3 GLU A 13 10.684 5.090 -9.431 1.00 10.00 H new ATOM 0 HG2 GLU A 13 7.945 4.824 -10.497 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.585 6.433 -10.765 1.00 10.00 H new ATOM 199 N LEU A 14 11.172 3.835 -7.318 1.00 10.00 N ATOM 200 CA LEU A 14 12.264 2.970 -6.784 1.00 10.00 C ATOM 201 C LEU A 14 11.682 1.855 -5.912 1.00 10.00 C ATOM 202 O LEU A 14 11.776 0.687 -6.236 1.00 10.00 O ATOM 203 CB LEU A 14 13.139 3.901 -5.944 1.00 10.00 C ATOM 204 CG LEU A 14 13.742 4.988 -6.838 1.00 10.00 C ATOM 205 CD1 LEU A 14 14.637 5.901 -5.998 1.00 10.00 C ATOM 206 CD2 LEU A 14 14.577 4.334 -7.941 1.00 10.00 C ATOM 0 H LEU A 14 11.341 4.839 -7.252 1.00 10.00 H new ATOM 0 HA LEU A 14 12.830 2.488 -7.581 1.00 10.00 H new ATOM 0 HB2 LEU A 14 12.546 4.356 -5.151 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.933 3.332 -5.461 1.00 10.00 H new ATOM 0 HG LEU A 14 12.941 5.576 -7.286 1.00 10.00 H new ATOM 0 HD11 LEU A 14 15.066 6.675 -6.634 1.00 10.00 H new ATOM 0 HD12 LEU A 14 14.045 6.366 -5.210 1.00 10.00 H new ATOM 0 HD13 LEU A 14 15.438 5.313 -5.550 1.00 10.00 H new ATOM 0 HD21 LEU A 14 15.007 5.107 -8.578 1.00 10.00 H new ATOM 0 HD22 LEU A 14 15.378 3.747 -7.491 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.942 3.682 -8.540 1.00 10.00 H new ATOM 218 N LEU A 15 11.089 2.203 -4.803 1.00 10.00 N ATOM 219 CA LEU A 15 10.510 1.160 -3.908 1.00 10.00 C ATOM 220 C LEU A 15 9.472 0.322 -4.660 1.00 10.00 C ATOM 221 O LEU A 15 9.710 -0.822 -4.990 1.00 10.00 O ATOM 222 CB LEU A 15 9.856 1.933 -2.763 1.00 10.00 C ATOM 223 CG LEU A 15 9.928 1.103 -1.481 1.00 10.00 C ATOM 224 CD1 LEU A 15 11.320 1.241 -0.863 1.00 10.00 C ATOM 225 CD2 LEU A 15 8.878 1.605 -0.488 1.00 10.00 C ATOM 0 H LEU A 15 10.980 3.164 -4.478 1.00 10.00 H new ATOM 0 HA LEU A 15 11.268 0.465 -3.547 1.00 10.00 H new ATOM 0 HB2 LEU A 15 10.361 2.888 -2.619 1.00 10.00 H new ATOM 0 HB3 LEU A 15 8.817 2.156 -3.007 1.00 10.00 H new ATOM 0 HG LEU A 15 9.735 0.056 -1.715 1.00 10.00 H new ATOM 0 HD11 LEU A 15 11.372 0.650 0.051 1.00 10.00 H new ATOM 0 HD12 LEU A 15 12.069 0.884 -1.570 1.00 10.00 H new ATOM 0 HD13 LEU A 15 11.512 2.288 -0.629 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.929 1.013 0.426 1.00 10.00 H new ATOM 0 HD22 LEU A 15 9.070 2.652 -0.254 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.885 1.508 -0.928 1.00 10.00 H new ATOM 237 N GLN A 16 8.322 0.878 -4.930 1.00 10.00 N ATOM 238 CA GLN A 16 7.274 0.105 -5.658 1.00 10.00 C ATOM 239 C GLN A 16 7.912 -0.742 -6.763 1.00 10.00 C ATOM 240 O GLN A 16 7.436 -1.810 -7.094 1.00 10.00 O ATOM 241 CB GLN A 16 6.348 1.164 -6.258 1.00 10.00 C ATOM 242 CG GLN A 16 4.893 0.717 -6.109 1.00 10.00 C ATOM 243 CD GLN A 16 4.148 0.961 -7.422 1.00 10.00 C ATOM 244 OE1 GLN A 16 4.164 0.129 -8.307 1.00 10.00 O ATOM 245 NE2 GLN A 16 3.488 2.074 -7.587 1.00 10.00 N ATOM 0 H GLN A 16 8.063 1.832 -4.679 1.00 10.00 H new ATOM 0 HA GLN A 16 6.737 -0.582 -5.004 1.00 10.00 H new ATOM 0 HB2 GLN A 16 6.499 2.120 -5.756 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.586 1.316 -7.311 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.851 -0.340 -5.846 1.00 10.00 H new ATOM 0 HG3 GLN A 16 4.414 1.267 -5.299 1.00 10.00 H new ATOM 0 HE21 GLN A 16 3.474 2.773 -6.845 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.986 2.245 -8.458 1.00 10.00 H new ATOM 254 N GLY A 17 8.989 -0.275 -7.332 1.00 10.00 N ATOM 255 CA GLY A 17 9.659 -1.053 -8.412 1.00 10.00 C ATOM 256 C GLY A 17 10.554 -2.128 -7.791 1.00 10.00 C ATOM 257 O GLY A 17 10.527 -3.277 -8.188 1.00 10.00 O ATOM 0 H GLY A 17 9.434 0.612 -7.096 1.00 10.00 H new ATOM 0 HA2 GLY A 17 8.912 -1.516 -9.058 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.254 -0.388 -9.038 1.00 10.00 H new ATOM 261 N TYR A 18 11.345 -1.771 -6.815 1.00 10.00 N ATOM 262 CA TYR A 18 12.231 -2.773 -6.175 1.00 10.00 C ATOM 263 C TYR A 18 11.401 -3.709 -5.291 1.00 10.00 C ATOM 264 O TYR A 18 11.667 -4.890 -5.199 1.00 10.00 O ATOM 265 CB TYR A 18 13.200 -1.937 -5.348 1.00 10.00 C ATOM 266 CG TYR A 18 13.415 -2.589 -4.015 1.00 10.00 C ATOM 267 CD1 TYR A 18 14.037 -3.835 -3.944 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.995 -1.942 -2.855 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.245 -4.442 -2.700 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.198 -2.544 -1.607 1.00 10.00 C ATOM 271 CZ TYR A 18 13.826 -3.796 -1.528 1.00 10.00 C ATOM 272 OH TYR A 18 14.030 -4.391 -0.301 1.00 10.00 O ATOM 0 H TYR A 18 11.413 -0.826 -6.436 1.00 10.00 H new ATOM 0 HA TYR A 18 12.753 -3.410 -6.889 1.00 10.00 H new ATOM 0 HB2 TYR A 18 14.150 -1.838 -5.873 1.00 10.00 H new ATOM 0 HB3 TYR A 18 12.804 -0.931 -5.212 1.00 10.00 H new ATOM 0 HD1 TYR A 18 14.358 -4.331 -4.848 1.00 10.00 H new ATOM 0 HD2 TYR A 18 12.513 -0.977 -2.918 1.00 10.00 H new ATOM 0 HE1 TYR A 18 14.728 -5.407 -2.643 1.00 10.00 H new ATOM 0 HE2 TYR A 18 12.872 -2.045 -0.707 1.00 10.00 H new ATOM 0 HH TYR A 18 13.907 -3.727 0.409 1.00 10.00 H new ATOM 282 N THR A 19 10.391 -3.188 -4.647 1.00 10.00 N ATOM 283 CA THR A 19 9.538 -4.045 -3.775 1.00 10.00 C ATOM 284 C THR A 19 8.854 -5.126 -4.615 1.00 10.00 C ATOM 285 O THR A 19 8.743 -6.265 -4.207 1.00 10.00 O ATOM 286 CB THR A 19 8.501 -3.091 -3.178 1.00 10.00 C ATOM 287 OG1 THR A 19 9.141 -2.211 -2.264 1.00 10.00 O ATOM 288 CG2 THR A 19 7.424 -3.894 -2.448 1.00 10.00 C ATOM 0 H THR A 19 10.120 -2.205 -4.687 1.00 10.00 H new ATOM 0 HA THR A 19 10.112 -4.556 -3.002 1.00 10.00 H new ATOM 0 HB THR A 19 8.038 -2.512 -3.977 1.00 10.00 H new ATOM 0 HG1 THR A 19 9.807 -2.707 -1.744 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.687 -3.212 -2.024 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.933 -4.568 -3.151 1.00 10.00 H new ATOM 0 HG23 THR A 19 7.883 -4.475 -1.648 1.00 10.00 H new ATOM 296 N VAL A 20 8.396 -4.777 -5.787 1.00 10.00 N ATOM 297 CA VAL A 20 7.722 -5.785 -6.653 1.00 10.00 C ATOM 298 C VAL A 20 8.722 -6.864 -7.082 1.00 10.00 C ATOM 299 O VAL A 20 8.375 -8.018 -7.228 1.00 10.00 O ATOM 300 CB VAL A 20 7.221 -4.997 -7.865 1.00 10.00 C ATOM 301 CG1 VAL A 20 7.044 -5.941 -9.056 1.00 10.00 C ATOM 302 CG2 VAL A 20 5.875 -4.349 -7.528 1.00 10.00 C ATOM 0 H VAL A 20 8.460 -3.838 -6.181 1.00 10.00 H new ATOM 0 HA VAL A 20 6.908 -6.296 -6.139 1.00 10.00 H new ATOM 0 HB VAL A 20 7.947 -4.225 -8.120 1.00 10.00 H new ATOM 0 HG11 VAL A 20 6.687 -5.377 -9.918 1.00 10.00 H new ATOM 0 HG12 VAL A 20 8.000 -6.406 -9.297 1.00 10.00 H new ATOM 0 HG13 VAL A 20 6.319 -6.714 -8.803 1.00 10.00 H new ATOM 0 HG21 VAL A 20 5.516 -3.787 -8.390 1.00 10.00 H new ATOM 0 HG22 VAL A 20 5.152 -5.124 -7.273 1.00 10.00 H new ATOM 0 HG23 VAL A 20 5.998 -3.675 -6.681 1.00 10.00 H new ATOM 312 N GLU A 21 9.963 -6.502 -7.275 1.00 10.00 N ATOM 313 CA GLU A 21 10.972 -7.531 -7.685 1.00 10.00 C ATOM 314 C GLU A 21 11.152 -8.531 -6.547 1.00 10.00 C ATOM 315 O GLU A 21 11.085 -9.730 -6.731 1.00 10.00 O ATOM 316 CB GLU A 21 12.300 -6.800 -7.931 1.00 10.00 C ATOM 317 CG GLU A 21 12.056 -5.323 -8.204 1.00 10.00 C ATOM 318 CD GLU A 21 13.216 -4.754 -9.024 1.00 10.00 C ATOM 319 OE1 GLU A 21 14.338 -5.175 -8.800 1.00 10.00 O ATOM 320 OE2 GLU A 21 12.961 -3.904 -9.863 1.00 10.00 O ATOM 0 H GLU A 21 10.321 -5.553 -7.169 1.00 10.00 H new ATOM 0 HA GLU A 21 10.649 -8.060 -8.582 1.00 10.00 H new ATOM 0 HB2 GLU A 21 12.949 -6.912 -7.063 1.00 10.00 H new ATOM 0 HB3 GLU A 21 12.818 -7.251 -8.777 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.118 -5.193 -8.743 1.00 10.00 H new ATOM 0 HG3 GLU A 21 11.961 -4.780 -7.264 1.00 10.00 H new ATOM 327 N VAL A 22 11.381 -8.028 -5.367 1.00 10.00 N ATOM 328 CA VAL A 22 11.570 -8.919 -4.192 1.00 10.00 C ATOM 329 C VAL A 22 10.419 -9.921 -4.103 1.00 10.00 C ATOM 330 O VAL A 22 10.623 -11.104 -3.914 1.00 10.00 O ATOM 331 CB VAL A 22 11.551 -7.978 -2.987 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.101 -8.709 -1.769 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.417 -6.750 -3.273 1.00 10.00 C ATOM 0 H VAL A 22 11.446 -7.030 -5.166 1.00 10.00 H new ATOM 0 HA VAL A 22 12.492 -9.497 -4.250 1.00 10.00 H new ATOM 0 HB VAL A 22 10.526 -7.659 -2.796 1.00 10.00 H new ATOM 0 HG11 VAL A 22 12.089 -8.041 -0.908 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.484 -9.583 -1.559 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.125 -9.027 -1.967 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.399 -6.083 -2.411 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.442 -7.065 -3.467 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.027 -6.225 -4.145 1.00 10.00 H new ATOM 343 N LEU A 23A 9.210 -9.454 -4.235 1.00 10.00 N ATOM 344 CA LEU A 23A 8.041 -10.374 -4.156 1.00 10.00 C ATOM 345 C LEU A 23A 7.939 -11.217 -5.430 1.00 10.00 C ATOM 346 O LEU A 23A 7.192 -12.173 -5.493 1.00 10.00 O ATOM 347 CB LEU A 23A 6.827 -9.455 -4.020 1.00 10.00 C ATOM 348 CG LEU A 23A 5.769 -10.129 -3.147 1.00 10.00 C ATOM 349 CD1 LEU A 23A 6.160 -9.997 -1.673 1.00 10.00 C ATOM 350 CD2 LEU A 23A 4.417 -9.451 -3.377 1.00 10.00 C ATOM 0 H LEU A 23A 8.980 -8.473 -4.395 1.00 10.00 H new ATOM 0 HA LEU A 23A 8.121 -11.073 -3.323 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.126 -8.504 -3.578 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 6.414 -9.234 -5.004 1.00 10.00 H new ATOM 0 HG LEU A 23A 5.699 -11.185 -3.410 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.405 -10.478 -1.052 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 7.125 -10.477 -1.508 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 6.229 -8.942 -1.408 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 3.660 -9.929 -2.756 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 4.489 -8.396 -3.113 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 4.137 -9.544 -4.426 1.00 10.00 H new ATOM 362 N ARG A 24 8.681 -10.871 -6.446 1.00 10.00 N ATOM 363 CA ARG A 24 8.618 -11.655 -7.713 1.00 10.00 C ATOM 364 C ARG A 24 9.770 -12.661 -7.782 1.00 10.00 C ATOM 365 O ARG A 24 10.031 -13.245 -8.816 1.00 10.00 O ATOM 366 CB ARG A 24 8.747 -10.618 -8.830 1.00 10.00 C ATOM 367 CG ARG A 24 7.803 -10.982 -9.976 1.00 10.00 C ATOM 368 CD ARG A 24 6.406 -10.430 -9.683 1.00 10.00 C ATOM 369 NE ARG A 24 5.513 -11.623 -9.709 1.00 10.00 N ATOM 370 CZ ARG A 24 4.233 -11.486 -9.492 1.00 10.00 C ATOM 371 NH1 ARG A 24 3.488 -10.850 -10.354 1.00 10.00 N ATOM 372 NH2 ARG A 24 3.699 -11.988 -8.411 1.00 10.00 N ATOM 0 H ARG A 24 9.327 -10.081 -6.454 1.00 10.00 H new ATOM 0 HA ARG A 24 7.695 -12.229 -7.791 1.00 10.00 H new ATOM 0 HB2 ARG A 24 8.507 -9.625 -8.449 1.00 10.00 H new ATOM 0 HB3 ARG A 24 9.775 -10.581 -9.190 1.00 10.00 H new ATOM 0 HG2 ARG A 24 8.178 -10.572 -10.914 1.00 10.00 H new ATOM 0 HG3 ARG A 24 7.760 -12.065 -10.096 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.373 -9.932 -8.714 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.106 -9.695 -10.430 1.00 10.00 H new ATOM 0 HE ARG A 24 5.902 -12.547 -9.896 1.00 10.00 H new ATOM 0 HH11 ARG A 24 3.906 -10.459 -11.199 1.00 10.00 H new ATOM 0 HH12 ARG A 24 2.488 -10.744 -10.183 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.282 -12.486 -7.738 1.00 10.00 H new ATOM 0 HH22 ARG A 24 2.699 -11.882 -8.240 1.00 10.00 H new ATOM 386 N GLN A 25 10.463 -12.874 -6.696 1.00 10.00 N ATOM 387 CA GLN A 25 11.591 -13.849 -6.719 1.00 10.00 C ATOM 388 C GLN A 25 12.137 -14.083 -5.306 1.00 10.00 C ATOM 389 O GLN A 25 13.291 -14.419 -5.132 1.00 10.00 O ATOM 390 CB GLN A 25 12.653 -13.206 -7.620 1.00 10.00 C ATOM 391 CG GLN A 25 13.456 -12.160 -6.835 1.00 10.00 C ATOM 392 CD GLN A 25 14.943 -12.307 -7.168 1.00 10.00 C ATOM 393 OE1 GLN A 25 15.327 -13.196 -7.902 1.00 10.00 O ATOM 394 NE2 GLN A 25 15.800 -11.468 -6.655 1.00 10.00 N ATOM 0 H GLN A 25 10.298 -12.418 -5.799 1.00 10.00 H new ATOM 0 HA GLN A 25 11.281 -14.826 -7.090 1.00 10.00 H new ATOM 0 HB2 GLN A 25 13.323 -13.973 -8.008 1.00 10.00 H new ATOM 0 HB3 GLN A 25 12.175 -12.737 -8.480 1.00 10.00 H new ATOM 0 HG2 GLN A 25 13.113 -11.157 -7.088 1.00 10.00 H new ATOM 0 HG3 GLN A 25 13.297 -12.291 -5.765 1.00 10.00 H new ATOM 0 HE21 GLN A 25 15.477 -10.722 -6.039 1.00 10.00 H new ATOM 0 HE22 GLN A 25 16.793 -11.558 -6.870 1.00 10.00 H new ATOM 403 N GLN A 26 11.311 -13.910 -4.300 1.00 10.00 N ATOM 404 CA GLN A 26 11.765 -14.122 -2.888 1.00 10.00 C ATOM 405 C GLN A 26 13.278 -14.345 -2.821 1.00 10.00 C ATOM 406 O GLN A 26 13.735 -15.464 -2.702 1.00 10.00 O ATOM 407 CB GLN A 26 11.023 -15.373 -2.420 1.00 10.00 C ATOM 408 CG GLN A 26 10.601 -15.198 -0.961 1.00 10.00 C ATOM 409 CD GLN A 26 10.327 -16.569 -0.339 1.00 10.00 C ATOM 410 OE1 GLN A 26 10.590 -17.588 -0.947 1.00 10.00 O ATOM 411 NE2 GLN A 26 9.807 -16.639 0.855 1.00 10.00 N ATOM 0 H GLN A 26 10.335 -13.629 -4.398 1.00 10.00 H new ATOM 0 HA GLN A 26 11.554 -13.254 -2.263 1.00 10.00 H new ATOM 0 HB2 GLN A 26 10.147 -15.545 -3.045 1.00 10.00 H new ATOM 0 HB3 GLN A 26 11.664 -16.249 -2.522 1.00 10.00 H new ATOM 0 HG2 GLN A 26 11.385 -14.685 -0.404 1.00 10.00 H new ATOM 0 HG3 GLN A 26 9.708 -14.575 -0.902 1.00 10.00 H new ATOM 0 HE21 GLN A 26 9.586 -15.784 1.366 1.00 10.00 H new ATOM 0 HE22 GLN A 26 9.621 -17.548 1.278 1.00 10.00 H new ATOM 420 N PRO A 27 14.005 -13.266 -2.905 1.00 10.00 N ATOM 421 CA PRO A 27 15.485 -13.340 -2.858 1.00 10.00 C ATOM 422 C PRO A 27 15.962 -13.729 -1.455 1.00 10.00 C ATOM 423 O PRO A 27 15.521 -13.168 -0.471 1.00 10.00 O ATOM 424 CB PRO A 27 15.925 -11.922 -3.214 1.00 10.00 C ATOM 425 CG PRO A 27 14.764 -11.058 -2.844 1.00 10.00 C ATOM 426 CD PRO A 27 13.526 -11.890 -3.049 1.00 10.00 C ATOM 0 HA PRO A 27 15.898 -14.091 -3.532 1.00 10.00 H new ATOM 0 HB2 PRO A 27 16.822 -11.636 -2.664 1.00 10.00 H new ATOM 0 HB3 PRO A 27 16.160 -11.835 -4.275 1.00 10.00 H new ATOM 0 HG2 PRO A 27 14.842 -10.728 -1.808 1.00 10.00 H new ATOM 0 HG3 PRO A 27 14.735 -10.162 -3.463 1.00 10.00 H new ATOM 0 HD2 PRO A 27 12.758 -11.654 -2.312 1.00 10.00 H new ATOM 0 HD3 PRO A 27 13.087 -11.720 -4.032 1.00 10.00 H new ATOM 434 N PRO A 28 16.855 -14.682 -1.413 1.00 10.00 N ATOM 435 CA PRO A 28 17.407 -15.156 -0.120 1.00 10.00 C ATOM 436 C PRO A 28 18.287 -14.074 0.510 1.00 10.00 C ATOM 437 O PRO A 28 18.351 -13.933 1.716 1.00 10.00 O ATOM 438 CB PRO A 28 18.234 -16.379 -0.510 1.00 10.00 C ATOM 439 CG PRO A 28 18.583 -16.158 -1.945 1.00 10.00 C ATOM 440 CD PRO A 28 17.432 -15.400 -2.551 1.00 10.00 C ATOM 0 HA PRO A 28 16.639 -15.389 0.618 1.00 10.00 H new ATOM 0 HB2 PRO A 28 19.129 -16.465 0.107 1.00 10.00 H new ATOM 0 HB3 PRO A 28 17.666 -17.300 -0.378 1.00 10.00 H new ATOM 0 HG2 PRO A 28 19.511 -15.593 -2.036 1.00 10.00 H new ATOM 0 HG3 PRO A 28 18.736 -17.107 -2.458 1.00 10.00 H new ATOM 0 HD2 PRO A 28 17.769 -14.714 -3.329 1.00 10.00 H new ATOM 0 HD3 PRO A 28 16.707 -16.072 -3.010 1.00 10.00 H new ATOM 448 N ASP A 29 18.965 -13.307 -0.298 1.00 10.00 N ATOM 449 CA ASP A 29 19.839 -12.229 0.248 1.00 10.00 C ATOM 450 C ASP A 29 19.201 -10.871 -0.010 1.00 10.00 C ATOM 451 O ASP A 29 19.867 -9.860 -0.110 1.00 10.00 O ATOM 452 CB ASP A 29 21.143 -12.354 -0.524 1.00 10.00 C ATOM 453 CG ASP A 29 22.321 -12.389 0.453 1.00 10.00 C ATOM 454 OD1 ASP A 29 22.205 -11.791 1.510 1.00 10.00 O ATOM 455 OD2 ASP A 29 23.317 -13.015 0.127 1.00 10.00 O ATOM 0 H ASP A 29 18.952 -13.380 -1.315 1.00 10.00 H new ATOM 0 HA ASP A 29 19.991 -12.319 1.324 1.00 10.00 H new ATOM 0 HB2 ASP A 29 21.133 -13.261 -1.129 1.00 10.00 H new ATOM 0 HB3 ASP A 29 21.252 -11.514 -1.210 1.00 10.00 H new ATOM 460 N LEU A 30 17.912 -10.859 -0.123 1.00 10.00 N ATOM 461 CA LEU A 30 17.177 -9.586 -0.385 1.00 10.00 C ATOM 462 C LEU A 30 17.912 -8.402 0.247 1.00 10.00 C ATOM 463 O LEU A 30 18.345 -7.497 -0.438 1.00 10.00 O ATOM 464 CB LEU A 30 15.808 -9.775 0.274 1.00 10.00 C ATOM 465 CG LEU A 30 14.875 -8.612 -0.096 1.00 10.00 C ATOM 466 CD1 LEU A 30 14.814 -7.616 1.062 1.00 10.00 C ATOM 467 CD2 LEU A 30 15.387 -7.899 -1.352 1.00 10.00 C ATOM 0 H LEU A 30 17.320 -11.686 -0.045 1.00 10.00 H new ATOM 0 HA LEU A 30 17.095 -9.374 -1.451 1.00 10.00 H new ATOM 0 HB2 LEU A 30 15.369 -10.719 -0.048 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.922 -9.829 1.357 1.00 10.00 H new ATOM 0 HG LEU A 30 13.879 -9.009 -0.293 1.00 10.00 H new ATOM 0 HD11 LEU A 30 14.152 -6.791 0.798 1.00 10.00 H new ATOM 0 HD12 LEU A 30 14.434 -8.116 1.953 1.00 10.00 H new ATOM 0 HD13 LEU A 30 15.813 -7.229 1.262 1.00 10.00 H new ATOM 0 HD21 LEU A 30 14.716 -7.077 -1.603 1.00 10.00 H new ATOM 0 HD22 LEU A 30 16.387 -7.507 -1.166 1.00 10.00 H new ATOM 0 HD23 LEU A 30 15.422 -8.605 -2.182 1.00 10.00 H new ATOM 479 N VAL A 31 18.058 -8.405 1.544 1.00 10.00 N ATOM 480 CA VAL A 31 18.774 -7.281 2.220 1.00 10.00 C ATOM 481 C VAL A 31 19.897 -6.773 1.321 1.00 10.00 C ATOM 482 O VAL A 31 19.922 -5.628 0.916 1.00 10.00 O ATOM 483 CB VAL A 31 19.366 -7.892 3.488 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.885 -6.777 4.395 1.00 10.00 C ATOM 485 CG2 VAL A 31 18.287 -8.687 4.227 1.00 10.00 C ATOM 0 H VAL A 31 17.713 -9.136 2.166 1.00 10.00 H new ATOM 0 HA VAL A 31 18.113 -6.441 2.436 1.00 10.00 H new ATOM 0 HB VAL A 31 20.187 -8.557 3.220 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.308 -7.212 5.301 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.655 -6.210 3.871 1.00 10.00 H new ATOM 0 HG13 VAL A 31 19.063 -6.112 4.661 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.711 -9.122 5.132 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.465 -8.023 4.495 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.915 -9.483 3.581 1.00 10.00 H new ATOM 495 N ASP A 32 20.821 -7.630 1.005 1.00 10.00 N ATOM 496 CA ASP A 32 21.951 -7.231 0.128 1.00 10.00 C ATOM 497 C ASP A 32 21.417 -6.745 -1.221 1.00 10.00 C ATOM 498 O ASP A 32 21.838 -5.728 -1.735 1.00 10.00 O ATOM 499 CB ASP A 32 22.769 -8.509 -0.030 1.00 10.00 C ATOM 500 CG ASP A 32 24.261 -8.173 -0.001 1.00 10.00 C ATOM 501 OD1 ASP A 32 24.617 -7.103 -0.468 1.00 10.00 O ATOM 502 OD2 ASP A 32 25.022 -8.990 0.489 1.00 10.00 O ATOM 0 H ASP A 32 20.842 -8.600 1.320 1.00 10.00 H new ATOM 0 HA ASP A 32 22.545 -6.414 0.537 1.00 10.00 H new ATOM 0 HB2 ASP A 32 22.528 -9.208 0.771 1.00 10.00 H new ATOM 0 HB3 ASP A 32 22.515 -9.001 -0.969 1.00 10.00 H new ATOM 507 N PHE A 33 20.483 -7.456 -1.795 1.00 10.00 N ATOM 508 CA PHE A 33 19.920 -7.014 -3.102 1.00 10.00 C ATOM 509 C PHE A 33 19.259 -5.645 -2.934 1.00 10.00 C ATOM 510 O PHE A 33 19.498 -4.730 -3.696 1.00 10.00 O ATOM 511 CB PHE A 33 18.877 -8.069 -3.476 1.00 10.00 C ATOM 512 CG PHE A 33 18.035 -7.554 -4.619 1.00 10.00 C ATOM 513 CD1 PHE A 33 18.648 -7.130 -5.804 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.642 -7.498 -4.494 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.867 -6.650 -6.864 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.862 -7.016 -5.553 1.00 10.00 C ATOM 517 CZ PHE A 33 16.474 -6.593 -6.738 1.00 10.00 C ATOM 0 H PHE A 33 20.088 -8.318 -1.418 1.00 10.00 H new ATOM 0 HA PHE A 33 20.685 -6.919 -3.873 1.00 10.00 H new ATOM 0 HB2 PHE A 33 19.369 -8.999 -3.762 1.00 10.00 H new ATOM 0 HB3 PHE A 33 18.246 -8.294 -2.616 1.00 10.00 H new ATOM 0 HD1 PHE A 33 19.723 -7.173 -5.901 1.00 10.00 H new ATOM 0 HD2 PHE A 33 16.168 -7.827 -3.581 1.00 10.00 H new ATOM 0 HE1 PHE A 33 18.340 -6.324 -7.778 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.787 -6.971 -5.455 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.872 -6.223 -7.555 1.00 10.00 H new ATOM 527 N ALA A 34 18.438 -5.497 -1.930 1.00 10.00 N ATOM 528 CA ALA A 34 17.772 -4.186 -1.702 1.00 10.00 C ATOM 529 C ALA A 34 18.828 -3.081 -1.632 1.00 10.00 C ATOM 530 O ALA A 34 18.574 -1.939 -1.960 1.00 10.00 O ATOM 531 CB ALA A 34 17.057 -4.330 -0.359 1.00 10.00 C ATOM 0 H ALA A 34 18.201 -6.228 -1.259 1.00 10.00 H new ATOM 0 HA ALA A 34 17.078 -3.924 -2.501 1.00 10.00 H new ATOM 0 HB1 ALA A 34 16.540 -3.400 -0.120 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.333 -5.143 -0.418 1.00 10.00 H new ATOM 0 HB3 ALA A 34 17.787 -4.550 0.420 1.00 10.00 H new ATOM 537 N VAL A 35 20.019 -3.419 -1.212 1.00 10.00 N ATOM 538 CA VAL A 35 21.098 -2.408 -1.123 1.00 10.00 C ATOM 539 C VAL A 35 21.664 -2.138 -2.519 1.00 10.00 C ATOM 540 O VAL A 35 21.700 -1.014 -2.979 1.00 10.00 O ATOM 541 CB VAL A 35 22.142 -3.065 -0.224 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.509 -2.452 -0.494 1.00 10.00 C ATOM 543 CG2 VAL A 35 21.761 -2.843 1.238 1.00 10.00 C ATOM 0 H VAL A 35 20.286 -4.361 -0.926 1.00 10.00 H new ATOM 0 HA VAL A 35 20.764 -1.448 -0.730 1.00 10.00 H new ATOM 0 HB VAL A 35 22.181 -4.134 -0.433 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.252 -2.923 0.149 1.00 10.00 H new ATOM 0 HG12 VAL A 35 23.779 -2.611 -1.538 1.00 10.00 H new ATOM 0 HG13 VAL A 35 23.475 -1.382 -0.287 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.505 -3.311 1.883 1.00 10.00 H new ATOM 0 HG22 VAL A 35 21.722 -1.774 1.446 1.00 10.00 H new ATOM 0 HG23 VAL A 35 20.784 -3.286 1.431 1.00 10.00 H new ATOM 553 N GLU A 36 22.095 -3.165 -3.199 1.00 10.00 N ATOM 554 CA GLU A 36 22.648 -2.972 -4.570 1.00 10.00 C ATOM 555 C GLU A 36 21.645 -2.200 -5.429 1.00 10.00 C ATOM 556 O GLU A 36 22.013 -1.389 -6.255 1.00 10.00 O ATOM 557 CB GLU A 36 22.848 -4.384 -5.120 1.00 10.00 C ATOM 558 CG GLU A 36 24.013 -5.058 -4.391 1.00 10.00 C ATOM 559 CD GLU A 36 24.918 -5.753 -5.409 1.00 10.00 C ATOM 560 OE1 GLU A 36 25.419 -5.072 -6.289 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.096 -6.954 -5.293 1.00 10.00 O ATOM 0 H GLU A 36 22.088 -4.129 -2.865 1.00 10.00 H new ATOM 0 HA GLU A 36 23.578 -2.403 -4.568 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.937 -4.968 -4.990 1.00 10.00 H new ATOM 0 HB3 GLU A 36 23.050 -4.343 -6.190 1.00 10.00 H new ATOM 0 HG2 GLU A 36 24.582 -4.317 -3.829 1.00 10.00 H new ATOM 0 HG3 GLU A 36 23.634 -5.783 -3.670 1.00 10.00 H new ATOM 568 N TYR A 37 20.376 -2.445 -5.236 1.00 10.00 N ATOM 569 CA TYR A 37 19.346 -1.725 -6.037 1.00 10.00 C ATOM 570 C TYR A 37 19.466 -0.217 -5.809 1.00 10.00 C ATOM 571 O TYR A 37 19.758 0.536 -6.717 1.00 10.00 O ATOM 572 CB TYR A 37 18.006 -2.241 -5.515 1.00 10.00 C ATOM 573 CG TYR A 37 16.887 -1.684 -6.361 1.00 10.00 C ATOM 574 CD1 TYR A 37 16.580 -0.318 -6.304 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.157 -2.531 -7.204 1.00 10.00 C ATOM 576 CE1 TYR A 37 15.542 0.199 -7.089 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.119 -2.013 -7.988 1.00 10.00 C ATOM 578 CZ TYR A 37 14.812 -0.647 -7.931 1.00 10.00 C ATOM 579 OH TYR A 37 13.790 -0.138 -8.705 1.00 10.00 O ATOM 0 H TYR A 37 20.009 -3.113 -4.558 1.00 10.00 H new ATOM 0 HA TYR A 37 19.458 -1.897 -7.108 1.00 10.00 H new ATOM 0 HB2 TYR A 37 17.989 -3.331 -5.542 1.00 10.00 H new ATOM 0 HB3 TYR A 37 17.871 -1.946 -4.475 1.00 10.00 H new ATOM 0 HD1 TYR A 37 17.144 0.336 -5.655 1.00 10.00 H new ATOM 0 HD2 TYR A 37 16.395 -3.584 -7.249 1.00 10.00 H new ATOM 0 HE1 TYR A 37 15.305 1.252 -7.044 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.555 -2.666 -8.637 1.00 10.00 H new ATOM 0 HH TYR A 37 13.064 0.172 -8.125 1.00 10.00 H new ATOM 589 N PHE A 38 19.244 0.231 -4.603 1.00 10.00 N ATOM 590 CA PHE A 38 19.351 1.691 -4.324 1.00 10.00 C ATOM 591 C PHE A 38 20.812 2.139 -4.423 1.00 10.00 C ATOM 592 O PHE A 38 21.139 3.062 -5.142 1.00 10.00 O ATOM 593 CB PHE A 38 18.829 1.864 -2.896 1.00 10.00 C ATOM 594 CG PHE A 38 17.323 1.965 -2.917 1.00 10.00 C ATOM 595 CD1 PHE A 38 16.704 3.064 -3.524 1.00 10.00 C ATOM 596 CD2 PHE A 38 16.546 0.962 -2.324 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.307 3.159 -3.541 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.149 1.059 -2.341 1.00 10.00 C ATOM 599 CZ PHE A 38 14.530 2.157 -2.949 1.00 10.00 C ATOM 0 H PHE A 38 18.994 -0.349 -3.802 1.00 10.00 H new ATOM 0 HA PHE A 38 18.785 2.291 -5.036 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.139 1.020 -2.280 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.258 2.760 -2.447 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.304 3.838 -3.979 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.024 0.115 -1.854 1.00 10.00 H new ATOM 0 HE1 PHE A 38 14.829 4.006 -4.011 1.00 10.00 H new ATOM 0 HE2 PHE A 38 14.549 0.286 -1.885 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.453 2.231 -2.961 1.00 10.00 H new ATOM 609 N THR A 39 21.696 1.491 -3.710 1.00 10.00 N ATOM 610 CA THR A 39 23.134 1.884 -3.774 1.00 10.00 C ATOM 611 C THR A 39 23.533 2.139 -5.229 1.00 10.00 C ATOM 612 O THR A 39 24.385 2.957 -5.516 1.00 10.00 O ATOM 613 CB THR A 39 23.903 0.690 -3.202 1.00 10.00 C ATOM 614 OG1 THR A 39 23.767 0.672 -1.789 1.00 10.00 O ATOM 615 CG2 THR A 39 25.382 0.809 -3.570 1.00 10.00 C ATOM 0 H THR A 39 21.485 0.710 -3.089 1.00 10.00 H new ATOM 0 HA THR A 39 23.343 2.797 -3.217 1.00 10.00 H new ATOM 0 HB THR A 39 23.499 -0.233 -3.618 1.00 10.00 H new ATOM 0 HG1 THR A 39 24.566 0.271 -1.389 1.00 10.00 H new ATOM 0 HG21 THR A 39 25.928 -0.042 -3.162 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.487 0.821 -4.655 1.00 10.00 H new ATOM 0 HG23 THR A 39 25.787 1.732 -3.156 1.00 10.00 H new ATOM 623 N ARG A 40 22.919 1.446 -6.149 1.00 10.00 N ATOM 624 CA ARG A 40 23.254 1.648 -7.586 1.00 10.00 C ATOM 625 C ARG A 40 22.662 2.971 -8.081 1.00 10.00 C ATOM 626 O ARG A 40 23.292 3.711 -8.810 1.00 10.00 O ATOM 627 CB ARG A 40 22.611 0.467 -8.313 1.00 10.00 C ATOM 628 CG ARG A 40 23.646 -0.646 -8.494 1.00 10.00 C ATOM 629 CD ARG A 40 23.380 -1.381 -9.808 1.00 10.00 C ATOM 630 NE ARG A 40 24.486 -2.371 -9.927 1.00 10.00 N ATOM 631 CZ ARG A 40 24.641 -3.046 -11.033 1.00 10.00 C ATOM 632 NH1 ARG A 40 23.963 -4.143 -11.228 1.00 10.00 N ATOM 633 NH2 ARG A 40 25.473 -2.624 -11.945 1.00 10.00 N ATOM 0 H ARG A 40 22.199 0.747 -5.966 1.00 10.00 H new ATOM 0 HA ARG A 40 24.329 1.694 -7.759 1.00 10.00 H new ATOM 0 HB2 ARG A 40 21.759 0.096 -7.744 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.232 0.787 -9.284 1.00 10.00 H new ATOM 0 HG2 ARG A 40 24.651 -0.225 -8.498 1.00 10.00 H new ATOM 0 HG3 ARG A 40 23.595 -1.344 -7.658 1.00 10.00 H new ATOM 0 HD2 ARG A 40 22.408 -1.875 -9.794 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.375 -0.691 -10.652 1.00 10.00 H new ATOM 0 HE ARG A 40 25.122 -2.521 -9.144 1.00 10.00 H new ATOM 0 HH11 ARG A 40 23.312 -4.473 -10.516 1.00 10.00 H new ATOM 0 HH12 ARG A 40 24.084 -4.671 -12.093 1.00 10.00 H new ATOM 0 HH21 ARG A 40 26.003 -1.766 -11.794 1.00 10.00 H new ATOM 0 HH22 ARG A 40 25.593 -3.152 -12.809 1.00 10.00 H new ATOM 647 N LEU A 41 21.455 3.275 -7.685 1.00 10.00 N ATOM 648 CA LEU A 41 20.825 4.552 -8.128 1.00 10.00 C ATOM 649 C LEU A 41 21.757 5.729 -7.829 1.00 10.00 C ATOM 650 O LEU A 41 21.745 6.734 -8.512 1.00 10.00 O ATOM 651 CB LEU A 41 19.539 4.663 -7.307 1.00 10.00 C ATOM 652 CG LEU A 41 18.323 4.567 -8.233 1.00 10.00 C ATOM 653 CD1 LEU A 41 18.537 5.457 -9.459 1.00 10.00 C ATOM 654 CD2 LEU A 41 18.139 3.116 -8.681 1.00 10.00 C ATOM 0 H LEU A 41 20.879 2.695 -7.075 1.00 10.00 H new ATOM 0 HA LEU A 41 20.626 4.567 -9.200 1.00 10.00 H new ATOM 0 HB2 LEU A 41 19.503 3.869 -6.561 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.522 5.609 -6.766 1.00 10.00 H new ATOM 0 HG LEU A 41 17.434 4.900 -7.698 1.00 10.00 H new ATOM 0 HD11 LEU A 41 17.670 5.386 -10.116 1.00 10.00 H new ATOM 0 HD12 LEU A 41 18.667 6.491 -9.140 1.00 10.00 H new ATOM 0 HD13 LEU A 41 19.427 5.129 -9.996 1.00 10.00 H new ATOM 0 HD21 LEU A 41 17.274 3.046 -9.340 1.00 10.00 H new ATOM 0 HD22 LEU A 41 19.030 2.784 -9.215 1.00 10.00 H new ATOM 0 HD23 LEU A 41 17.982 2.483 -7.808 1.00 10.00 H new ATOM 666 N ARG A 42 22.565 5.610 -6.811 1.00 10.00 N ATOM 667 CA ARG A 42 23.500 6.720 -6.463 1.00 10.00 C ATOM 668 C ARG A 42 24.411 7.038 -7.651 1.00 10.00 C ATOM 669 O ARG A 42 24.756 8.178 -7.893 1.00 10.00 O ATOM 670 CB ARG A 42 24.321 6.191 -5.285 1.00 10.00 C ATOM 671 CG ARG A 42 23.594 6.498 -3.975 1.00 10.00 C ATOM 672 CD ARG A 42 24.486 7.367 -3.084 1.00 10.00 C ATOM 673 NE ARG A 42 25.322 6.403 -2.313 1.00 10.00 N ATOM 674 CZ ARG A 42 26.496 6.039 -2.762 1.00 10.00 C ATOM 675 NH1 ARG A 42 27.155 6.808 -3.587 1.00 10.00 N ATOM 676 NH2 ARG A 42 27.014 4.905 -2.379 1.00 10.00 N ATOM 0 H ARG A 42 22.619 4.792 -6.204 1.00 10.00 H new ATOM 0 HA ARG A 42 22.972 7.640 -6.213 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.471 5.116 -5.386 1.00 10.00 H new ATOM 0 HB3 ARG A 42 25.309 6.651 -5.281 1.00 10.00 H new ATOM 0 HG2 ARG A 42 22.656 7.013 -4.180 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.343 5.570 -3.461 1.00 10.00 H new ATOM 0 HD2 ARG A 42 25.105 8.037 -3.680 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.890 7.992 -2.419 1.00 10.00 H new ATOM 0 HE ARG A 42 24.977 6.025 -1.431 1.00 10.00 H new ATOM 0 HH11 ARG A 42 26.755 7.698 -3.885 1.00 10.00 H new ATOM 0 HH12 ARG A 42 28.070 6.519 -3.933 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.504 4.304 -1.731 1.00 10.00 H new ATOM 0 HH22 ARG A 42 27.929 4.619 -2.727 1.00 10.00 H new ATOM 690 N GLU A 43 24.802 6.040 -8.396 1.00 10.00 N ATOM 691 CA GLU A 43 25.690 6.287 -9.569 1.00 10.00 C ATOM 692 C GLU A 43 25.012 7.252 -10.545 1.00 10.00 C ATOM 693 O GLU A 43 25.656 8.057 -11.188 1.00 10.00 O ATOM 694 CB GLU A 43 25.895 4.905 -10.203 1.00 10.00 C ATOM 695 CG GLU A 43 25.656 4.976 -11.713 1.00 10.00 C ATOM 696 CD GLU A 43 26.318 3.776 -12.391 1.00 10.00 C ATOM 697 OE1 GLU A 43 26.872 2.952 -11.684 1.00 10.00 O ATOM 698 OE2 GLU A 43 26.260 3.703 -13.608 1.00 10.00 O ATOM 0 H GLU A 43 24.545 5.065 -8.244 1.00 10.00 H new ATOM 0 HA GLU A 43 26.640 6.745 -9.291 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.907 4.552 -10.004 1.00 10.00 H new ATOM 0 HB3 GLU A 43 25.212 4.185 -9.753 1.00 10.00 H new ATOM 0 HG2 GLU A 43 24.586 4.981 -11.923 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.064 5.904 -12.113 1.00 10.00 H new ATOM 915 N LEU B 11 10.735 -7.425 3.814 1.00 10.00 N ATOM 916 CA LEU B 11 10.404 -6.178 3.063 1.00 10.00 C ATOM 917 C LEU B 11 9.412 -5.324 3.857 1.00 10.00 C ATOM 918 O LEU B 11 9.633 -4.153 4.089 1.00 10.00 O ATOM 919 CB LEU B 11 9.776 -6.651 1.751 1.00 10.00 C ATOM 920 CG LEU B 11 9.998 -5.596 0.664 1.00 10.00 C ATOM 921 CD1 LEU B 11 11.481 -5.227 0.598 1.00 10.00 C ATOM 922 CD2 LEU B 11 9.556 -6.159 -0.689 1.00 10.00 C ATOM 0 HA LEU B 11 11.285 -5.560 2.890 1.00 10.00 H new ATOM 0 HB2 LEU B 11 10.218 -7.600 1.446 1.00 10.00 H new ATOM 0 HB3 LEU B 11 8.709 -6.826 1.889 1.00 10.00 H new ATOM 0 HG LEU B 11 9.414 -4.707 0.901 1.00 10.00 H new ATOM 0 HD11 LEU B 11 11.635 -4.476 -0.177 1.00 10.00 H new ATOM 0 HD12 LEU B 11 11.799 -4.826 1.560 1.00 10.00 H new ATOM 0 HD13 LEU B 11 12.067 -6.116 0.363 1.00 10.00 H new ATOM 0 HD21 LEU B 11 9.713 -5.409 -1.464 1.00 10.00 H new ATOM 0 HD22 LEU B 11 10.141 -7.049 -0.921 1.00 10.00 H new ATOM 0 HD23 LEU B 11 8.499 -6.420 -0.646 1.00 10.00 H new ATOM 934 N THR B 12 8.318 -5.900 4.275 1.00 10.00 N ATOM 935 CA THR B 12 7.316 -5.116 5.050 1.00 10.00 C ATOM 936 C THR B 12 8.007 -4.310 6.155 1.00 10.00 C ATOM 937 O THR B 12 8.244 -3.127 6.020 1.00 10.00 O ATOM 938 CB THR B 12 6.371 -6.160 5.648 1.00 10.00 C ATOM 939 OG1 THR B 12 5.919 -7.030 4.621 1.00 10.00 O ATOM 940 CG2 THR B 12 5.172 -5.457 6.287 1.00 10.00 C ATOM 0 H THR B 12 8.075 -6.877 4.114 1.00 10.00 H new ATOM 0 HA THR B 12 6.783 -4.397 4.427 1.00 10.00 H new ATOM 0 HB THR B 12 6.899 -6.737 6.407 1.00 10.00 H new ATOM 0 HG1 THR B 12 5.315 -7.701 5.003 1.00 10.00 H new ATOM 0 HG21 THR B 12 4.499 -6.201 6.713 1.00 10.00 H new ATOM 0 HG22 THR B 12 5.520 -4.789 7.075 1.00 10.00 H new ATOM 0 HG23 THR B 12 4.642 -4.880 5.529 1.00 10.00 H new ATOM 948 N GLU B 13 8.328 -4.943 7.248 1.00 10.00 N ATOM 949 CA GLU B 13 8.999 -4.218 8.366 1.00 10.00 C ATOM 950 C GLU B 13 10.088 -3.283 7.825 1.00 10.00 C ATOM 951 O GLU B 13 9.959 -2.075 7.869 1.00 10.00 O ATOM 952 CB GLU B 13 9.619 -5.314 9.234 1.00 10.00 C ATOM 953 CG GLU B 13 8.859 -5.406 10.560 1.00 10.00 C ATOM 954 CD GLU B 13 9.729 -4.842 11.686 1.00 10.00 C ATOM 955 OE1 GLU B 13 10.941 -4.887 11.552 1.00 10.00 O ATOM 956 OE2 GLU B 13 9.167 -4.377 12.664 1.00 10.00 O ATOM 0 H GLU B 13 8.155 -5.934 7.417 1.00 10.00 H new ATOM 0 HA GLU B 13 8.301 -3.596 8.927 1.00 10.00 H new ATOM 0 HB2 GLU B 13 9.580 -6.271 8.713 1.00 10.00 H new ATOM 0 HB3 GLU B 13 10.670 -5.095 9.420 1.00 10.00 H new ATOM 0 HG2 GLU B 13 7.924 -4.850 10.495 1.00 10.00 H new ATOM 0 HG3 GLU B 13 8.599 -6.443 10.771 1.00 10.00 H new ATOM 963 N LEU B 14 11.159 -3.831 7.318 1.00 10.00 N ATOM 964 CA LEU B 14 12.254 -2.969 6.780 1.00 10.00 C ATOM 965 C LEU B 14 11.674 -1.846 5.916 1.00 10.00 C ATOM 966 O LEU B 14 11.777 -0.680 6.246 1.00 10.00 O ATOM 967 CB LEU B 14 13.119 -3.902 5.929 1.00 10.00 C ATOM 968 CG LEU B 14 13.720 -4.996 6.814 1.00 10.00 C ATOM 969 CD1 LEU B 14 14.604 -5.912 5.965 1.00 10.00 C ATOM 970 CD2 LEU B 14 14.565 -4.354 7.915 1.00 10.00 C ATOM 0 H LEU B 14 11.324 -4.835 7.252 1.00 10.00 H new ATOM 0 HA LEU B 14 12.827 -2.494 7.577 1.00 10.00 H new ATOM 0 HB2 LEU B 14 12.518 -4.350 5.138 1.00 10.00 H new ATOM 0 HB3 LEU B 14 13.914 -3.335 5.444 1.00 10.00 H new ATOM 0 HG LEU B 14 12.917 -5.580 7.264 1.00 10.00 H new ATOM 0 HD11 LEU B 14 15.032 -6.691 6.596 1.00 10.00 H new ATOM 0 HD12 LEU B 14 14.004 -6.370 5.179 1.00 10.00 H new ATOM 0 HD13 LEU B 14 15.407 -5.328 5.515 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.993 -5.133 8.546 1.00 10.00 H new ATOM 0 HD22 LEU B 14 15.367 -3.770 7.464 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.937 -3.701 8.521 1.00 10.00 H new ATOM 982 N LEU B 15 11.072 -2.185 4.810 1.00 10.00 N ATOM 983 CA LEU B 15 10.494 -1.136 3.922 1.00 10.00 C ATOM 984 C LEU B 15 9.463 -0.297 4.684 1.00 10.00 C ATOM 985 O LEU B 15 9.708 0.844 5.020 1.00 10.00 O ATOM 986 CB LEU B 15 9.826 -1.901 2.779 1.00 10.00 C ATOM 987 CG LEU B 15 9.900 -1.067 1.499 1.00 10.00 C ATOM 988 CD1 LEU B 15 11.285 -1.220 0.871 1.00 10.00 C ATOM 989 CD2 LEU B 15 8.837 -1.554 0.512 1.00 10.00 C ATOM 0 H LEU B 15 10.955 -3.144 4.482 1.00 10.00 H new ATOM 0 HA LEU B 15 11.254 -0.445 3.558 1.00 10.00 H new ATOM 0 HB2 LEU B 15 10.321 -2.860 2.630 1.00 10.00 H new ATOM 0 HB3 LEU B 15 8.786 -2.114 3.028 1.00 10.00 H new ATOM 0 HG LEU B 15 9.723 -0.018 1.737 1.00 10.00 H new ATOM 0 HD11 LEU B 15 11.338 -0.626 -0.041 1.00 10.00 H new ATOM 0 HD12 LEU B 15 12.043 -0.875 1.574 1.00 10.00 H new ATOM 0 HD13 LEU B 15 11.462 -2.269 0.632 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.889 -0.960 -0.401 1.00 10.00 H new ATOM 0 HD22 LEU B 15 9.015 -2.603 0.273 1.00 10.00 H new ATOM 0 HD23 LEU B 15 7.849 -1.447 0.959 1.00 10.00 H new ATOM 1001 N GLN B 16 8.312 -0.849 4.957 1.00 10.00 N ATOM 1002 CA GLN B 16 7.271 -0.074 5.694 1.00 10.00 C ATOM 1003 C GLN B 16 7.918 0.766 6.798 1.00 10.00 C ATOM 1004 O GLN B 16 7.449 1.835 7.135 1.00 10.00 O ATOM 1005 CB GLN B 16 6.345 -1.131 6.298 1.00 10.00 C ATOM 1006 CG GLN B 16 4.892 -0.675 6.157 1.00 10.00 C ATOM 1007 CD GLN B 16 4.146 -0.930 7.468 1.00 10.00 C ATOM 1008 OE1 GLN B 16 4.154 -0.102 8.357 1.00 10.00 O ATOM 1009 NE2 GLN B 16 3.498 -2.052 7.629 1.00 10.00 N ATOM 0 H GLN B 16 8.047 -1.801 4.703 1.00 10.00 H new ATOM 0 HA GLN B 16 6.734 0.617 5.044 1.00 10.00 H new ATOM 0 HB2 GLN B 16 6.488 -2.087 5.794 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.589 -1.286 7.349 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.855 0.385 5.906 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.409 -1.213 5.341 1.00 10.00 H new ATOM 0 HE21 GLN B 16 3.490 -2.748 6.883 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.999 -2.232 8.500 1.00 10.00 H new ATOM 1018 N GLY B 17 8.995 0.291 7.360 1.00 10.00 N ATOM 1019 CA GLY B 17 9.673 1.061 8.440 1.00 10.00 C ATOM 1020 C GLY B 17 10.570 2.134 7.822 1.00 10.00 C ATOM 1021 O GLY B 17 10.550 3.282 8.225 1.00 10.00 O ATOM 0 H GLY B 17 9.435 -0.597 7.118 1.00 10.00 H new ATOM 0 HA2 GLY B 17 8.931 1.524 9.091 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.267 0.390 9.061 1.00 10.00 H new ATOM 1025 N TYR B 18 11.353 1.777 6.840 1.00 10.00 N ATOM 1026 CA TYR B 18 12.242 2.780 6.201 1.00 10.00 C ATOM 1027 C TYR B 18 11.411 3.722 5.324 1.00 10.00 C ATOM 1028 O TYR B 18 11.682 4.903 5.236 1.00 10.00 O ATOM 1029 CB TYR B 18 13.203 1.941 5.365 1.00 10.00 C ATOM 1030 CG TYR B 18 13.417 2.600 4.035 1.00 10.00 C ATOM 1031 CD1 TYR B 18 14.051 3.841 3.970 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.986 1.965 2.874 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.261 4.454 2.728 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.189 2.573 1.629 1.00 10.00 C ATOM 1035 CZ TYR B 18 13.828 3.819 1.555 1.00 10.00 C ATOM 1036 OH TYR B 18 14.031 4.420 0.330 1.00 10.00 O ATOM 0 H TYR B 18 11.413 0.834 6.455 1.00 10.00 H new ATOM 0 HA TYR B 18 12.771 3.412 6.915 1.00 10.00 H new ATOM 0 HB2 TYR B 18 14.154 1.832 5.886 1.00 10.00 H new ATOM 0 HB3 TYR B 18 12.799 0.938 5.225 1.00 10.00 H new ATOM 0 HD1 TYR B 18 14.379 4.328 4.876 1.00 10.00 H new ATOM 0 HD2 TYR B 18 12.496 1.005 2.933 1.00 10.00 H new ATOM 0 HE1 TYR B 18 14.755 5.413 2.674 1.00 10.00 H new ATOM 0 HE2 TYR B 18 12.854 2.083 0.727 1.00 10.00 H new ATOM 0 HH TYR B 18 13.760 3.806 -0.384 1.00 10.00 H new ATOM 1046 N THR B 19 10.399 3.208 4.682 1.00 10.00 N ATOM 1047 CA THR B 19 9.545 4.073 3.819 1.00 10.00 C ATOM 1048 C THR B 19 8.870 5.153 4.667 1.00 10.00 C ATOM 1049 O THR B 19 8.760 6.294 4.264 1.00 10.00 O ATOM 1050 CB THR B 19 8.502 3.127 3.222 1.00 10.00 C ATOM 1051 OG1 THR B 19 9.132 2.252 2.298 1.00 10.00 O ATOM 1052 CG2 THR B 19 7.423 3.940 2.504 1.00 10.00 C ATOM 0 H THR B 19 10.126 2.226 4.717 1.00 10.00 H new ATOM 0 HA THR B 19 10.118 4.586 3.046 1.00 10.00 H new ATOM 0 HB THR B 19 8.042 2.544 4.020 1.00 10.00 H new ATOM 0 HG1 THR B 19 9.796 2.750 1.777 1.00 10.00 H new ATOM 0 HG21 THR B 19 6.681 3.264 2.079 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.939 4.610 3.215 1.00 10.00 H new ATOM 0 HG23 THR B 19 7.879 4.526 1.706 1.00 10.00 H new ATOM 1060 N VAL B 20 8.420 4.802 5.841 1.00 10.00 N ATOM 1061 CA VAL B 20 7.754 5.810 6.714 1.00 10.00 C ATOM 1062 C VAL B 20 8.762 6.882 7.144 1.00 10.00 C ATOM 1063 O VAL B 20 8.420 8.037 7.300 1.00 10.00 O ATOM 1064 CB VAL B 20 7.253 5.019 7.923 1.00 10.00 C ATOM 1065 CG1 VAL B 20 7.090 5.955 9.124 1.00 10.00 C ATOM 1066 CG2 VAL B 20 5.901 4.384 7.590 1.00 10.00 C ATOM 0 H VAL B 20 8.485 3.862 6.233 1.00 10.00 H new ATOM 0 HA VAL B 20 6.941 6.328 6.206 1.00 10.00 H new ATOM 0 HB VAL B 20 7.976 4.240 8.167 1.00 10.00 H new ATOM 0 HG11 VAL B 20 6.733 5.386 9.983 1.00 10.00 H new ATOM 0 HG12 VAL B 20 8.051 6.410 9.364 1.00 10.00 H new ATOM 0 HG13 VAL B 20 6.370 6.736 8.881 1.00 10.00 H new ATOM 0 HG21 VAL B 20 5.542 3.820 8.451 1.00 10.00 H new ATOM 0 HG22 VAL B 20 5.183 5.166 7.344 1.00 10.00 H new ATOM 0 HG23 VAL B 20 6.014 3.714 6.738 1.00 10.00 H new ATOM 1076 N GLU B 21 10.003 6.514 7.329 1.00 10.00 N ATOM 1077 CA GLU B 21 11.019 7.536 7.740 1.00 10.00 C ATOM 1078 C GLU B 21 11.199 8.541 6.609 1.00 10.00 C ATOM 1079 O GLU B 21 11.140 9.739 6.801 1.00 10.00 O ATOM 1080 CB GLU B 21 12.344 6.797 7.976 1.00 10.00 C ATOM 1081 CG GLU B 21 12.094 5.319 8.241 1.00 10.00 C ATOM 1082 CD GLU B 21 13.251 4.739 9.054 1.00 10.00 C ATOM 1083 OE1 GLU B 21 14.377 5.146 8.819 1.00 10.00 O ATOM 1084 OE2 GLU B 21 12.993 3.896 9.897 1.00 10.00 O ATOM 0 H GLU B 21 10.357 5.564 7.216 1.00 10.00 H new ATOM 0 HA GLU B 21 10.703 8.062 8.641 1.00 10.00 H new ATOM 0 HB2 GLU B 21 12.990 6.912 7.106 1.00 10.00 H new ATOM 0 HB3 GLU B 21 12.868 7.240 8.823 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.156 5.190 8.782 1.00 10.00 H new ATOM 0 HG3 GLU B 21 11.995 4.782 7.298 1.00 10.00 H new ATOM 1091 N VAL B 22 11.419 8.046 5.425 1.00 10.00 N ATOM 1092 CA VAL B 22 11.606 8.944 4.255 1.00 10.00 C ATOM 1093 C VAL B 22 10.463 9.956 4.181 1.00 10.00 C ATOM 1094 O VAL B 22 10.677 11.141 4.015 1.00 10.00 O ATOM 1095 CB VAL B 22 11.573 8.013 3.043 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.122 8.749 1.827 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.435 6.777 3.316 1.00 10.00 C ATOM 0 H VAL B 22 11.478 7.049 5.216 1.00 10.00 H new ATOM 0 HA VAL B 22 12.533 9.515 4.311 1.00 10.00 H new ATOM 0 HB VAL B 22 10.545 7.703 2.855 1.00 10.00 H new ATOM 0 HG11 VAL B 22 12.100 8.088 0.961 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.510 9.629 1.628 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.149 9.058 2.022 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.408 6.116 2.449 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.463 7.085 3.506 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.048 6.249 4.187 1.00 10.00 H new ATOM 1107 N LEU B 23B 9.250 9.496 4.301 1.00 10.00 N ATOM 1108 CA LEU B 23B 8.088 10.426 4.234 1.00 10.00 C ATOM 1109 C LEU B 23B 7.999 11.260 5.516 1.00 10.00 C ATOM 1110 O LEU B 23B 7.272 12.231 5.585 1.00 10.00 O ATOM 1111 CB LEU B 23B 6.868 9.516 4.101 1.00 10.00 C ATOM 1112 CG LEU B 23B 5.812 10.194 3.228 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 6.203 10.065 1.754 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 4.459 9.517 3.458 1.00 10.00 C ATOM 0 H LEU B 23B 9.012 8.514 4.443 1.00 10.00 H new ATOM 0 HA LEU B 23B 8.168 11.130 3.406 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.160 8.562 3.661 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 6.455 9.299 5.086 1.00 10.00 H new ATOM 0 HG LEU B 23B 5.744 11.250 3.491 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.449 10.549 1.134 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 7.169 10.543 1.591 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 6.271 9.011 1.486 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 3.702 9.997 2.838 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 4.530 8.462 3.193 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 4.180 9.609 4.508 1.00 10.00 H new ATOM 1126 N ARG B 24 8.730 10.890 6.532 1.00 10.00 N ATOM 1127 CA ARG B 24 8.679 11.664 7.806 1.00 10.00 C ATOM 1128 C ARG B 24 9.839 12.663 7.878 1.00 10.00 C ATOM 1129 O ARG B 24 10.105 13.239 8.913 1.00 10.00 O ATOM 1130 CB ARG B 24 8.808 10.617 8.913 1.00 10.00 C ATOM 1131 CG ARG B 24 7.885 10.988 10.076 1.00 10.00 C ATOM 1132 CD ARG B 24 6.480 10.445 9.805 1.00 10.00 C ATOM 1133 NE ARG B 24 5.596 11.643 9.828 1.00 10.00 N ATOM 1134 CZ ARG B 24 4.315 11.515 9.619 1.00 10.00 C ATOM 1135 NH1 ARG B 24 3.574 10.875 10.484 1.00 10.00 N ATOM 1136 NH2 ARG B 24 3.774 12.027 8.546 1.00 10.00 N ATOM 0 H ARG B 24 9.359 10.087 6.536 1.00 10.00 H new ATOM 0 HA ARG B 24 7.760 12.243 7.893 1.00 10.00 H new ATOM 0 HB2 ARG B 24 8.547 9.631 8.528 1.00 10.00 H new ATOM 0 HB3 ARG B 24 9.841 10.562 9.258 1.00 10.00 H new ATOM 0 HG2 ARG B 24 8.272 10.576 11.008 1.00 10.00 H new ATOM 0 HG3 ARG B 24 7.851 12.071 10.196 1.00 10.00 H new ATOM 0 HD2 ARG B 24 6.432 9.937 8.842 1.00 10.00 H new ATOM 0 HD3 ARG B 24 6.183 9.720 10.563 1.00 10.00 H new ATOM 0 HE ARG B 24 5.993 12.565 10.008 1.00 10.00 H new ATOM 0 HH11 ARG B 24 3.997 10.476 11.322 1.00 10.00 H new ATOM 0 HH12 ARG B 24 2.572 10.774 10.322 1.00 10.00 H new ATOM 0 HH21 ARG B 24 4.353 12.527 7.872 1.00 10.00 H new ATOM 0 HH22 ARG B 24 2.772 11.927 8.383 1.00 10.00 H new ATOM 1150 N GLN B 25 10.529 12.877 6.790 1.00 10.00 N ATOM 1151 CA GLN B 25 11.664 13.846 6.817 1.00 10.00 C ATOM 1152 C GLN B 25 12.204 14.087 5.403 1.00 10.00 C ATOM 1153 O GLN B 25 13.359 14.419 5.227 1.00 10.00 O ATOM 1154 CB GLN B 25 12.726 13.187 7.707 1.00 10.00 C ATOM 1155 CG GLN B 25 13.527 12.154 6.907 1.00 10.00 C ATOM 1156 CD GLN B 25 15.016 12.306 7.228 1.00 10.00 C ATOM 1157 OE1 GLN B 25 15.405 13.202 7.951 1.00 10.00 O ATOM 1158 NE2 GLN B 25 15.872 11.464 6.716 1.00 10.00 N ATOM 0 H GLN B 25 10.359 12.427 5.890 1.00 10.00 H new ATOM 0 HA GLN B 25 11.363 14.822 7.199 1.00 10.00 H new ATOM 0 HB2 GLN B 25 13.397 13.947 8.107 1.00 10.00 H new ATOM 0 HB3 GLN B 25 12.247 12.705 8.559 1.00 10.00 H new ATOM 0 HG2 GLN B 25 13.191 11.147 7.154 1.00 10.00 H new ATOM 0 HG3 GLN B 25 13.358 12.294 5.839 1.00 10.00 H new ATOM 0 HE21 GLN B 25 15.547 10.712 6.109 1.00 10.00 H new ATOM 0 HE22 GLN B 25 16.866 11.558 6.923 1.00 10.00 H new ATOM 1167 N GLN B 26 11.375 13.926 4.398 1.00 10.00 N ATOM 1168 CA GLN B 26 11.823 14.146 2.986 1.00 10.00 C ATOM 1169 C GLN B 26 13.338 14.359 2.912 1.00 10.00 C ATOM 1170 O GLN B 26 13.803 15.476 2.797 1.00 10.00 O ATOM 1171 CB GLN B 26 11.088 15.407 2.532 1.00 10.00 C ATOM 1172 CG GLN B 26 10.667 15.253 1.070 1.00 10.00 C ATOM 1173 CD GLN B 26 10.407 16.634 0.465 1.00 10.00 C ATOM 1174 OE1 GLN B 26 10.686 17.643 1.081 1.00 10.00 O ATOM 1175 NE2 GLN B 26 9.880 16.723 -0.726 1.00 10.00 N ATOM 0 H GLN B 26 10.398 13.649 4.497 1.00 10.00 H new ATOM 0 HA GLN B 26 11.602 13.284 2.356 1.00 10.00 H new ATOM 0 HB2 GLN B 26 10.212 15.575 3.158 1.00 10.00 H new ATOM 0 HB3 GLN B 26 11.733 16.278 2.646 1.00 10.00 H new ATOM 0 HG2 GLN B 26 11.447 14.739 0.508 1.00 10.00 H new ATOM 0 HG3 GLN B 26 9.769 14.640 1.002 1.00 10.00 H new ATOM 0 HE21 GLN B 26 9.645 15.876 -1.244 1.00 10.00 H new ATOM 0 HE22 GLN B 26 9.703 17.639 -1.138 1.00 10.00 H new ATOM 1184 N PRO B 27 14.058 13.274 2.984 1.00 10.00 N ATOM 1185 CA PRO B 27 15.537 13.335 2.929 1.00 10.00 C ATOM 1186 C PRO B 27 16.006 13.727 1.525 1.00 10.00 C ATOM 1187 O PRO B 27 15.556 13.171 0.542 1.00 10.00 O ATOM 1188 CB PRO B 27 15.968 11.911 3.274 1.00 10.00 C ATOM 1189 CG PRO B 27 14.796 11.058 2.906 1.00 10.00 C ATOM 1190 CD PRO B 27 13.568 11.901 3.122 1.00 10.00 C ATOM 0 HA PRO B 27 15.961 14.077 3.605 1.00 10.00 H new ATOM 0 HB2 PRO B 27 16.859 11.621 2.717 1.00 10.00 H new ATOM 0 HB3 PRO B 27 16.209 11.816 4.333 1.00 10.00 H new ATOM 0 HG2 PRO B 27 14.865 10.732 1.868 1.00 10.00 H new ATOM 0 HG3 PRO B 27 14.762 10.159 3.521 1.00 10.00 H new ATOM 0 HD2 PRO B 27 12.795 11.677 2.388 1.00 10.00 H new ATOM 0 HD3 PRO B 27 13.133 11.729 4.106 1.00 10.00 H new ATOM 1198 N PRO B 28 16.901 14.676 1.481 1.00 10.00 N ATOM 1199 CA PRO B 28 17.445 15.154 0.187 1.00 10.00 C ATOM 1200 C PRO B 28 18.319 14.071 -0.453 1.00 10.00 C ATOM 1201 O PRO B 28 18.367 13.929 -1.659 1.00 10.00 O ATOM 1202 CB PRO B 28 18.279 16.374 0.578 1.00 10.00 C ATOM 1203 CG PRO B 28 18.637 16.143 2.009 1.00 10.00 C ATOM 1204 CD PRO B 28 17.486 15.388 2.619 1.00 10.00 C ATOM 0 HA PRO B 28 16.673 15.392 -0.545 1.00 10.00 H new ATOM 0 HB2 PRO B 28 19.170 16.461 -0.044 1.00 10.00 H new ATOM 0 HB3 PRO B 28 17.713 17.297 0.455 1.00 10.00 H new ATOM 0 HG2 PRO B 28 19.562 15.573 2.091 1.00 10.00 H new ATOM 0 HG3 PRO B 28 18.799 17.089 2.526 1.00 10.00 H new ATOM 0 HD2 PRO B 28 17.824 14.699 3.393 1.00 10.00 H new ATOM 0 HD3 PRO B 28 16.766 16.061 3.084 1.00 10.00 H new ATOM 1212 N ASP B 29 19.004 13.302 0.348 1.00 10.00 N ATOM 1213 CA ASP B 29 19.870 12.223 -0.207 1.00 10.00 C ATOM 1214 C ASP B 29 19.226 10.866 0.047 1.00 10.00 C ATOM 1215 O ASP B 29 19.888 9.851 0.140 1.00 10.00 O ATOM 1216 CB ASP B 29 21.179 12.337 0.560 1.00 10.00 C ATOM 1217 CG ASP B 29 22.352 12.380 -0.422 1.00 10.00 C ATOM 1218 OD1 ASP B 29 22.247 11.758 -1.465 1.00 10.00 O ATOM 1219 OD2 ASP B 29 23.334 13.035 -0.112 1.00 10.00 O ATOM 0 H ASP B 29 19.001 13.374 1.365 1.00 10.00 H new ATOM 0 HA ASP B 29 20.018 12.318 -1.283 1.00 10.00 H new ATOM 0 HB2 ASP B 29 21.174 13.237 1.175 1.00 10.00 H new ATOM 0 HB3 ASP B 29 21.290 11.490 1.237 1.00 10.00 H new ATOM 1224 N LEU B 30 17.936 10.860 0.166 1.00 10.00 N ATOM 1225 CA LEU B 30 17.194 9.590 0.425 1.00 10.00 C ATOM 1226 C LEU B 30 17.920 8.406 -0.217 1.00 10.00 C ATOM 1227 O LEU B 30 18.350 7.495 0.460 1.00 10.00 O ATOM 1228 CB LEU B 30 15.822 9.792 -0.224 1.00 10.00 C ATOM 1229 CG LEU B 30 14.881 8.637 0.146 1.00 10.00 C ATOM 1230 CD1 LEU B 30 14.792 7.654 -1.022 1.00 10.00 C ATOM 1231 CD2 LEU B 30 15.400 7.904 1.386 1.00 10.00 C ATOM 0 H LEU B 30 17.348 11.691 0.095 1.00 10.00 H new ATOM 0 HA LEU B 30 17.115 9.372 1.490 1.00 10.00 H new ATOM 0 HB2 LEU B 30 15.393 10.739 0.104 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.930 9.849 -1.307 1.00 10.00 H new ATOM 0 HG LEU B 30 13.893 9.045 0.361 1.00 10.00 H new ATOM 0 HD11 LEU B 30 14.124 6.835 -0.758 1.00 10.00 H new ATOM 0 HD12 LEU B 30 14.405 8.168 -1.902 1.00 10.00 H new ATOM 0 HD13 LEU B 30 15.784 7.257 -1.240 1.00 10.00 H new ATOM 0 HD21 LEU B 30 14.722 7.088 1.636 1.00 10.00 H new ATOM 0 HD22 LEU B 30 16.393 7.502 1.182 1.00 10.00 H new ATOM 0 HD23 LEU B 30 15.455 8.600 2.223 1.00 10.00 H new ATOM 1243 N VAL B 31 18.062 8.416 -1.516 1.00 10.00 N ATOM 1244 CA VAL B 31 18.767 7.290 -2.201 1.00 10.00 C ATOM 1245 C VAL B 31 19.892 6.773 -1.310 1.00 10.00 C ATOM 1246 O VAL B 31 19.912 5.628 -0.905 1.00 10.00 O ATOM 1247 CB VAL B 31 19.355 7.903 -3.470 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.868 6.787 -4.381 1.00 10.00 C ATOM 1249 CG2 VAL B 31 18.274 8.702 -4.204 1.00 10.00 C ATOM 0 H VAL B 31 17.721 9.154 -2.133 1.00 10.00 H new ATOM 0 HA VAL B 31 18.101 6.455 -2.417 1.00 10.00 H new ATOM 0 HB VAL B 31 20.178 8.567 -3.204 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.288 7.222 -5.288 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.638 6.218 -3.861 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.043 6.125 -4.645 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.696 9.139 -5.109 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.450 8.040 -4.470 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.906 9.497 -3.555 1.00 10.00 H new ATOM 1259 N ASP B 32 20.825 7.625 -0.999 1.00 10.00 N ATOM 1260 CA ASP B 32 21.957 7.217 -0.129 1.00 10.00 C ATOM 1261 C ASP B 32 21.427 6.726 1.220 1.00 10.00 C ATOM 1262 O ASP B 32 21.848 5.705 1.726 1.00 10.00 O ATOM 1263 CB ASP B 32 22.781 8.492 0.034 1.00 10.00 C ATOM 1264 CG ASP B 32 24.270 8.150 -0.012 1.00 10.00 C ATOM 1265 OD1 ASP B 32 24.630 7.086 0.465 1.00 10.00 O ATOM 1266 OD2 ASP B 32 25.028 8.958 -0.524 1.00 10.00 O ATOM 0 H ASP B 32 20.851 8.595 -1.314 1.00 10.00 H new ATOM 0 HA ASP B 32 22.546 6.400 -0.546 1.00 10.00 H new ATOM 0 HB2 ASP B 32 22.535 9.199 -0.758 1.00 10.00 H new ATOM 0 HB3 ASP B 32 22.538 8.976 0.980 1.00 10.00 H new ATOM 1271 N PHE B 33 20.497 7.436 1.803 1.00 10.00 N ATOM 1272 CA PHE B 33 19.939 6.988 3.111 1.00 10.00 C ATOM 1273 C PHE B 33 19.274 5.623 2.938 1.00 10.00 C ATOM 1274 O PHE B 33 19.507 4.705 3.699 1.00 10.00 O ATOM 1275 CB PHE B 33 18.903 8.046 3.494 1.00 10.00 C ATOM 1276 CG PHE B 33 18.063 7.529 4.638 1.00 10.00 C ATOM 1277 CD1 PHE B 33 18.680 7.098 5.820 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.669 7.480 4.520 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.903 6.615 6.881 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.892 6.997 5.579 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.508 6.566 6.761 1.00 10.00 C ATOM 0 H PHE B 33 20.103 8.301 1.433 1.00 10.00 H new ATOM 0 HA PHE B 33 20.705 6.885 3.879 1.00 10.00 H new ATOM 0 HB2 PHE B 33 19.401 8.972 3.782 1.00 10.00 H new ATOM 0 HB3 PHE B 33 18.269 8.278 2.638 1.00 10.00 H new ATOM 0 HD1 PHE B 33 19.755 7.138 5.913 1.00 10.00 H new ATOM 0 HD2 PHE B 33 16.193 7.815 3.611 1.00 10.00 H new ATOM 0 HE1 PHE B 33 18.379 6.281 7.791 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.817 6.957 5.485 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.908 6.196 7.579 1.00 10.00 H new ATOM 1291 N ALA B 34 18.452 5.481 1.934 1.00 10.00 N ATOM 1292 CA ALA B 34 17.781 4.172 1.702 1.00 10.00 C ATOM 1293 C ALA B 34 18.833 3.065 1.619 1.00 10.00 C ATOM 1294 O ALA B 34 18.575 1.921 1.941 1.00 10.00 O ATOM 1295 CB ALA B 34 17.058 4.328 0.364 1.00 10.00 C ATOM 0 H ALA B 34 18.217 6.215 1.265 1.00 10.00 H new ATOM 0 HA ALA B 34 17.092 3.906 2.503 1.00 10.00 H new ATOM 0 HB1 ALA B 34 16.537 3.402 0.122 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.337 5.142 0.433 1.00 10.00 H new ATOM 0 HB3 ALA B 34 17.784 4.551 -0.418 1.00 10.00 H new ATOM 1301 N VAL B 35 20.023 3.402 1.195 1.00 10.00 N ATOM 1302 CA VAL B 35 21.098 2.388 1.093 1.00 10.00 C ATOM 1303 C VAL B 35 21.667 2.105 2.485 1.00 10.00 C ATOM 1304 O VAL B 35 21.711 0.976 2.933 1.00 10.00 O ATOM 1305 CB VAL B 35 22.142 3.047 0.197 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.509 2.433 0.466 1.00 10.00 C ATOM 1307 CG2 VAL B 35 21.763 2.831 -1.266 1.00 10.00 C ATOM 0 H VAL B 35 20.292 4.345 0.914 1.00 10.00 H new ATOM 0 HA VAL B 35 20.759 1.433 0.692 1.00 10.00 H new ATOM 0 HB VAL B 35 22.180 4.115 0.409 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.253 2.906 -0.175 1.00 10.00 H new ATOM 0 HG12 VAL B 35 23.779 2.589 1.510 1.00 10.00 H new ATOM 0 HG13 VAL B 35 23.475 1.364 0.256 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.508 3.301 -1.908 1.00 10.00 H new ATOM 0 HG22 VAL B 35 21.724 1.762 -1.478 1.00 10.00 H new ATOM 0 HG23 VAL B 35 20.786 3.275 -1.458 1.00 10.00 H new ATOM 1317 N GLU B 36 22.096 3.126 3.177 1.00 10.00 N ATOM 1318 CA GLU B 36 22.652 2.921 4.542 1.00 10.00 C ATOM 1319 C GLU B 36 21.648 2.148 5.400 1.00 10.00 C ATOM 1320 O GLU B 36 22.015 1.322 6.212 1.00 10.00 O ATOM 1321 CB GLU B 36 22.863 4.329 5.101 1.00 10.00 C ATOM 1322 CG GLU B 36 24.036 4.998 4.383 1.00 10.00 C ATOM 1323 CD GLU B 36 24.937 5.687 5.411 1.00 10.00 C ATOM 1324 OE1 GLU B 36 25.404 5.006 6.309 1.00 10.00 O ATOM 1325 OE2 GLU B 36 25.142 6.882 5.283 1.00 10.00 O ATOM 0 H GLU B 36 22.085 4.093 2.854 1.00 10.00 H new ATOM 0 HA GLU B 36 23.578 2.346 4.533 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.958 4.922 4.970 1.00 10.00 H new ATOM 0 HB3 GLU B 36 23.060 4.280 6.172 1.00 10.00 H new ATOM 0 HG2 GLU B 36 24.605 4.255 3.824 1.00 10.00 H new ATOM 0 HG3 GLU B 36 23.667 5.726 3.661 1.00 10.00 H new ATOM 1332 N TYR B 37 20.382 2.409 5.222 1.00 10.00 N ATOM 1333 CA TYR B 37 19.352 1.689 6.023 1.00 10.00 C ATOM 1334 C TYR B 37 19.465 0.181 5.787 1.00 10.00 C ATOM 1335 O TYR B 37 19.752 -0.579 6.691 1.00 10.00 O ATOM 1336 CB TYR B 37 18.010 2.213 5.510 1.00 10.00 C ATOM 1337 CG TYR B 37 16.892 1.657 6.360 1.00 10.00 C ATOM 1338 CD1 TYR B 37 16.579 0.294 6.298 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.170 2.504 7.211 1.00 10.00 C ATOM 1340 CE1 TYR B 37 15.542 -0.223 7.086 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.135 1.987 7.998 1.00 10.00 C ATOM 1342 CZ TYR B 37 14.820 0.624 7.936 1.00 10.00 C ATOM 1343 OH TYR B 37 13.799 0.114 8.712 1.00 10.00 O ATOM 0 H TYR B 37 20.016 3.090 4.556 1.00 10.00 H new ATOM 0 HA TYR B 37 19.469 1.855 7.094 1.00 10.00 H new ATOM 0 HB2 TYR B 37 17.997 3.302 5.541 1.00 10.00 H new ATOM 0 HB3 TYR B 37 17.868 1.922 4.469 1.00 10.00 H new ATOM 0 HD1 TYR B 37 17.137 -0.359 5.643 1.00 10.00 H new ATOM 0 HD2 TYR B 37 16.412 3.555 7.260 1.00 10.00 H new ATOM 0 HE1 TYR B 37 15.300 -1.274 7.038 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.578 2.640 8.654 1.00 10.00 H new ATOM 0 HH TYR B 37 13.075 -0.203 8.133 1.00 10.00 H new ATOM 1353 N PHE B 38 19.244 -0.258 4.578 1.00 10.00 N ATOM 1354 CA PHE B 38 19.343 -1.717 4.289 1.00 10.00 C ATOM 1355 C PHE B 38 20.802 -2.173 4.382 1.00 10.00 C ATOM 1356 O PHE B 38 21.127 -3.104 5.092 1.00 10.00 O ATOM 1357 CB PHE B 38 18.816 -1.878 2.863 1.00 10.00 C ATOM 1358 CG PHE B 38 17.310 -1.970 2.887 1.00 10.00 C ATOM 1359 CD1 PHE B 38 16.685 -3.068 3.493 1.00 10.00 C ATOM 1360 CD2 PHE B 38 16.536 -0.959 2.302 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.288 -3.154 3.514 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.138 -1.047 2.323 1.00 10.00 C ATOM 1363 CZ PHE B 38 14.515 -2.144 2.930 1.00 10.00 C ATOM 0 H PHE B 38 19.000 0.328 3.780 1.00 10.00 H new ATOM 0 HA PHE B 38 18.776 -2.320 4.999 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.129 -1.032 2.251 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.238 -2.774 2.408 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.281 -3.848 3.944 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.017 -0.112 1.835 1.00 10.00 H new ATOM 0 HE1 PHE B 38 14.806 -4.000 3.981 1.00 10.00 H new ATOM 0 HE2 PHE B 38 14.541 -0.269 1.871 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.437 -2.211 2.948 1.00 10.00 H new ATOM 1373 N THR B 39 21.688 -1.522 3.674 1.00 10.00 N ATOM 1374 CA THR B 39 23.124 -1.922 3.733 1.00 10.00 C ATOM 1375 C THR B 39 23.527 -2.188 5.186 1.00 10.00 C ATOM 1376 O THR B 39 24.381 -3.006 5.465 1.00 10.00 O ATOM 1377 CB THR B 39 23.899 -0.728 3.170 1.00 10.00 C ATOM 1378 OG1 THR B 39 23.761 -0.697 1.757 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.380 -0.854 3.534 1.00 10.00 C ATOM 0 H THR B 39 21.480 -0.734 3.060 1.00 10.00 H new ATOM 0 HA THR B 39 23.325 -2.833 3.169 1.00 10.00 H new ATOM 0 HB THR B 39 23.500 0.192 3.596 1.00 10.00 H new ATOM 0 HG1 THR B 39 24.562 -0.297 1.359 1.00 10.00 H new ATOM 0 HG21 THR B 39 25.927 -0.002 3.131 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.488 -0.875 4.618 1.00 10.00 H new ATOM 0 HG23 THR B 39 25.781 -1.775 3.112 1.00 10.00 H new ATOM 1387 N ARG B 40 22.911 -1.505 6.112 1.00 10.00 N ATOM 1388 CA ARG B 40 23.252 -1.716 7.547 1.00 10.00 C ATOM 1389 C ARG B 40 22.659 -3.040 8.034 1.00 10.00 C ATOM 1390 O ARG B 40 23.292 -3.790 8.750 1.00 10.00 O ATOM 1391 CB ARG B 40 22.612 -0.538 8.282 1.00 10.00 C ATOM 1392 CG ARG B 40 23.645 0.576 8.461 1.00 10.00 C ATOM 1393 CD ARG B 40 23.393 1.298 9.786 1.00 10.00 C ATOM 1394 NE ARG B 40 24.507 2.279 9.907 1.00 10.00 N ATOM 1395 CZ ARG B 40 24.667 2.951 11.015 1.00 10.00 C ATOM 1396 NH1 ARG B 40 23.983 4.043 11.220 1.00 10.00 N ATOM 1397 NH2 ARG B 40 25.512 2.531 11.916 1.00 10.00 N ATOM 0 H ARG B 40 22.186 -0.810 5.936 1.00 10.00 H new ATOM 0 HA ARG B 40 24.327 -1.765 7.718 1.00 10.00 H new ATOM 0 HB2 ARG B 40 21.756 -0.167 7.719 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.239 -0.862 9.254 1.00 10.00 H new ATOM 0 HG2 ARG B 40 24.652 0.158 8.448 1.00 10.00 H new ATOM 0 HG3 ARG B 40 23.582 1.282 7.633 1.00 10.00 H new ATOM 0 HD2 ARG B 40 22.425 1.798 9.785 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.390 0.599 10.622 1.00 10.00 H new ATOM 0 HE ARG B 40 25.145 2.426 9.125 1.00 10.00 H new ATOM 0 HH11 ARG B 40 23.323 4.372 10.515 1.00 10.00 H new ATOM 0 HH12 ARG B 40 24.108 4.568 12.086 1.00 10.00 H new ATOM 0 HH21 ARG B 40 26.047 1.678 11.755 1.00 10.00 H new ATOM 0 HH22 ARG B 40 25.637 3.056 12.782 1.00 10.00 H new ATOM 1411 N LEU B 41 21.448 -3.335 7.646 1.00 10.00 N ATOM 1412 CA LEU B 41 20.815 -4.612 8.084 1.00 10.00 C ATOM 1413 C LEU B 41 21.741 -5.790 7.768 1.00 10.00 C ATOM 1414 O LEU B 41 21.734 -6.797 8.447 1.00 10.00 O ATOM 1415 CB LEU B 41 19.522 -4.715 7.270 1.00 10.00 C ATOM 1416 CG LEU B 41 18.311 -4.614 8.201 1.00 10.00 C ATOM 1417 CD1 LEU B 41 18.524 -5.508 9.425 1.00 10.00 C ATOM 1418 CD2 LEU B 41 18.136 -3.163 8.654 1.00 10.00 C ATOM 0 H LEU B 41 20.870 -2.748 7.045 1.00 10.00 H new ATOM 0 HA LEU B 41 20.623 -4.633 9.157 1.00 10.00 H new ATOM 0 HB2 LEU B 41 19.486 -3.920 6.525 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.497 -5.660 6.728 1.00 10.00 H new ATOM 0 HG LEU B 41 17.418 -4.940 7.667 1.00 10.00 H new ATOM 0 HD11 LEU B 41 17.660 -5.433 10.085 1.00 10.00 H new ATOM 0 HD12 LEU B 41 18.646 -6.542 9.103 1.00 10.00 H new ATOM 0 HD13 LEU B 41 19.418 -5.186 9.960 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.274 -3.090 9.317 1.00 10.00 H new ATOM 0 HD22 LEU B 41 19.030 -2.837 9.185 1.00 10.00 H new ATOM 0 HD23 LEU B 41 17.979 -2.526 7.783 1.00 10.00 H new ATOM 1430 N ARG B 42 22.539 -5.671 6.741 1.00 10.00 N ATOM 1431 CA ARG B 42 23.465 -6.782 6.382 1.00 10.00 C ATOM 1432 C ARG B 42 24.381 -7.110 7.565 1.00 10.00 C ATOM 1433 O ARG B 42 24.721 -8.252 7.801 1.00 10.00 O ATOM 1434 CB ARG B 42 24.283 -6.250 5.205 1.00 10.00 C ATOM 1435 CG ARG B 42 23.546 -6.544 3.896 1.00 10.00 C ATOM 1436 CD ARG B 42 24.428 -7.416 2.999 1.00 10.00 C ATOM 1437 NE ARG B 42 25.262 -6.452 2.226 1.00 10.00 N ATOM 1438 CZ ARG B 42 26.436 -6.089 2.670 1.00 10.00 C ATOM 1439 NH1 ARG B 42 27.097 -6.861 3.491 1.00 10.00 N ATOM 1440 NH2 ARG B 42 26.954 -4.954 2.290 1.00 10.00 N ATOM 0 H ARG B 42 22.589 -4.852 6.135 1.00 10.00 H new ATOM 0 HA ARG B 42 22.932 -7.698 6.128 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.440 -5.177 5.313 1.00 10.00 H new ATOM 0 HB3 ARG B 42 25.268 -6.717 5.193 1.00 10.00 H new ATOM 0 HG2 ARG B 42 22.604 -7.052 4.103 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.300 -5.612 3.387 1.00 10.00 H new ATOM 0 HD2 ARG B 42 25.049 -8.090 3.590 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.825 -8.037 2.336 1.00 10.00 H new ATOM 0 HE ARG B 42 24.914 -6.073 1.345 1.00 10.00 H new ATOM 0 HH11 ARG B 42 26.697 -7.751 3.788 1.00 10.00 H new ATOM 0 HH12 ARG B 42 28.013 -6.574 3.835 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.443 -4.350 1.646 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.870 -4.670 2.636 1.00 10.00 H new