USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 705 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 77 HIS : no HE2:sc= 0.312 K(o=1.6,f=-2) USER MOD Set 1.2: A 104 SER OG : rot -106:sc= 1.29 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0.168 USER MOD Set 2.2: A 34 ASN : amide:sc= -0.142 X(o=0.026,f=-0.16) USER MOD Set 3.1: A 16 THR OG1 : rot 122:sc= 1.51 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 11 GLN : amide:sc= -0.529 K(o=-0.53,f=-2) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 23 THR OG1 : rot -80:sc= 1.3 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -35:sc= 0.568 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc=-0.00064 (180deg=-0.302) USER MOD Single : A 37 SER OG : rot -73:sc= -0.0536 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0.757 (180deg=0.748) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.27) USER MOD Single : A 49 GLN : amide:sc=-0.00272 K(o=-0.0027,f=-1.7!) USER MOD Single : A 50 GLN : amide:sc= -11.5! C(o=-11!,f=-19!) USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -0.578 (180deg=-0.752) USER MOD Single : A 58 GLN : amide:sc= -0.498 K(o=-0.5,f=-3.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00423 USER MOD Single : A 66 SER OG : rot -22:sc= 0.321 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.78) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 74 SER OG : rot -140:sc= -0.106 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= -2.39 (180deg=-2.53) USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 104.088 -0.984 -0.947 1.00 0.00 N ATOM 165 CA GLN A 11 102.998 -0.076 -1.283 1.00 0.00 C ATOM 166 C GLN A 11 101.828 -0.847 -1.882 1.00 0.00 C ATOM 167 O GLN A 11 101.936 -1.405 -2.976 1.00 0.00 O ATOM 168 CB GLN A 11 103.480 0.979 -2.288 1.00 0.00 C ATOM 169 CG GLN A 11 104.960 1.293 -2.051 1.00 0.00 C ATOM 170 CD GLN A 11 105.416 2.401 -2.997 1.00 0.00 C ATOM 171 OE1 GLN A 11 104.765 3.441 -3.099 1.00 0.00 O ATOM 172 NE2 GLN A 11 106.504 2.240 -3.699 1.00 0.00 N ATOM 0 HA GLN A 11 102.669 0.418 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.336 0.616 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.886 1.888 -2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 11 105.114 1.600 -1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 11 105.560 0.397 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 11 107.043 1.378 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.816 2.976 -4.333 1.00 0.00 H new ATOM 181 N ILE A 12 100.710 -0.873 -1.164 1.00 0.00 N ATOM 182 CA ILE A 12 99.527 -1.578 -1.643 1.00 0.00 C ATOM 183 C ILE A 12 98.862 -0.791 -2.767 1.00 0.00 C ATOM 184 O ILE A 12 99.324 0.289 -3.137 1.00 0.00 O ATOM 185 CB ILE A 12 98.532 -1.783 -0.496 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.100 -0.421 0.063 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.194 -2.607 0.614 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.825 -0.587 0.893 1.00 0.00 C ATOM 0 H ILE A 12 100.598 -0.419 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 12 99.835 -2.551 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 12 97.656 -2.313 -0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.895 -0.001 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.926 0.280 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.486 -2.753 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.495 -3.576 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 12 100.072 -2.078 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.520 0.382 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 12 96.031 -0.988 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 12 97.015 -1.273 1.718 1.00 0.00 H new ATOM 200 N PHE A 13 97.774 -1.336 -3.302 1.00 0.00 N ATOM 201 CA PHE A 13 97.048 -0.673 -4.379 1.00 0.00 C ATOM 202 C PHE A 13 95.575 -0.548 -4.023 1.00 0.00 C ATOM 203 O PHE A 13 94.969 -1.492 -3.520 1.00 0.00 O ATOM 204 CB PHE A 13 97.202 -1.457 -5.685 1.00 0.00 C ATOM 205 CG PHE A 13 98.668 -1.582 -6.031 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.344 -0.503 -6.609 1.00 0.00 C ATOM 207 CD2 PHE A 13 99.349 -2.778 -5.772 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.702 -0.617 -6.929 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.706 -2.893 -6.092 1.00 0.00 C ATOM 210 CZ PHE A 13 101.383 -1.813 -6.671 1.00 0.00 C ATOM 0 H PHE A 13 97.378 -2.229 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 13 97.466 0.325 -4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.757 -2.446 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.670 -0.950 -6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 13 98.818 0.419 -6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 13 98.827 -3.611 -5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.224 0.217 -7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 13 101.231 -3.815 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 13 102.430 -1.902 -6.919 1.00 0.00 H new ATOM 220 N ALA A 14 95.009 0.623 -4.294 1.00 0.00 N ATOM 221 CA ALA A 14 93.604 0.876 -4.006 1.00 0.00 C ATOM 222 C ALA A 14 92.882 1.337 -5.266 1.00 0.00 C ATOM 223 O ALA A 14 93.448 2.066 -6.082 1.00 0.00 O ATOM 224 CB ALA A 14 93.477 1.947 -2.919 1.00 0.00 C ATOM 0 H ALA A 14 95.503 1.411 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 14 93.148 -0.050 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.423 2.130 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 14 93.973 1.604 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 14 93.945 2.870 -3.261 1.00 0.00 H new ATOM 230 N LYS A 15 91.632 0.909 -5.415 1.00 0.00 N ATOM 231 CA LYS A 15 90.842 1.286 -6.581 1.00 0.00 C ATOM 232 C LYS A 15 89.545 1.963 -6.158 1.00 0.00 C ATOM 233 O LYS A 15 88.703 1.356 -5.496 1.00 0.00 O ATOM 234 CB LYS A 15 90.523 0.053 -7.430 1.00 0.00 C ATOM 235 CG LYS A 15 90.061 0.502 -8.822 1.00 0.00 C ATOM 236 CD LYS A 15 90.990 -0.084 -9.893 1.00 0.00 C ATOM 237 CE LYS A 15 90.436 -1.425 -10.381 1.00 0.00 C ATOM 238 NZ LYS A 15 89.612 -1.205 -11.604 1.00 0.00 N ATOM 0 H LYS A 15 91.148 0.306 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 15 91.429 1.988 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.404 -0.583 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 15 89.746 -0.542 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.036 0.175 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.063 1.590 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.079 0.609 -10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 15 91.991 -0.221 -9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 15 91.254 -2.111 -10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 15 89.832 -1.887 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 89.235 -2.115 -11.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 88.824 -0.564 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 90.202 -0.782 -12.349 1.00 0.00 H new ATOM 252 N THR A 16 89.389 3.221 -6.554 1.00 0.00 N ATOM 253 CA THR A 16 88.186 3.976 -6.223 1.00 0.00 C ATOM 254 C THR A 16 86.980 3.386 -6.944 1.00 0.00 C ATOM 255 O THR A 16 87.129 2.557 -7.843 1.00 0.00 O ATOM 256 CB THR A 16 88.359 5.439 -6.634 1.00 0.00 C ATOM 257 OG1 THR A 16 88.722 5.503 -8.006 1.00 0.00 O ATOM 258 CG2 THR A 16 89.454 6.088 -5.783 1.00 0.00 C ATOM 0 H THR A 16 90.077 3.738 -7.102 1.00 0.00 H new ATOM 0 HA THR A 16 88.023 3.919 -5.147 1.00 0.00 H new ATOM 0 HB THR A 16 87.421 5.972 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 16 88.059 6.033 -8.495 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.575 7.130 -6.078 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.174 6.039 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.394 5.557 -5.933 1.00 0.00 H new ATOM 266 N LEU A 17 85.788 3.822 -6.552 1.00 0.00 N ATOM 267 CA LEU A 17 84.567 3.329 -7.177 1.00 0.00 C ATOM 268 C LEU A 17 84.501 3.779 -8.635 1.00 0.00 C ATOM 269 O LEU A 17 83.725 3.242 -9.426 1.00 0.00 O ATOM 270 CB LEU A 17 83.342 3.847 -6.412 1.00 0.00 C ATOM 271 CG LEU A 17 82.097 3.032 -6.787 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.379 1.533 -6.636 1.00 0.00 C ATOM 273 CD2 LEU A 17 80.944 3.422 -5.863 1.00 0.00 C ATOM 0 H LEU A 17 85.642 4.509 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 17 84.571 2.239 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.520 3.780 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.179 4.900 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 17 81.834 3.242 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.488 0.966 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 17 83.201 1.250 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.649 1.316 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 17 80.057 2.846 -6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 17 81.220 3.214 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.732 4.485 -5.975 1.00 0.00 H new ATOM 285 N THR A 18 85.330 4.763 -8.981 1.00 0.00 N ATOM 286 CA THR A 18 85.374 5.280 -10.345 1.00 0.00 C ATOM 287 C THR A 18 86.305 4.431 -11.209 1.00 0.00 C ATOM 288 O THR A 18 86.210 4.443 -12.437 1.00 0.00 O ATOM 289 CB THR A 18 85.859 6.733 -10.339 1.00 0.00 C ATOM 290 OG1 THR A 18 87.188 6.788 -9.838 1.00 0.00 O ATOM 291 CG2 THR A 18 84.942 7.581 -9.452 1.00 0.00 C ATOM 0 H THR A 18 85.978 5.216 -8.337 1.00 0.00 H new ATOM 0 HA THR A 18 84.369 5.237 -10.764 1.00 0.00 H new ATOM 0 HB THR A 18 85.837 7.124 -11.356 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.499 7.717 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 18 85.291 8.614 -9.451 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.924 7.542 -9.839 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.958 7.191 -8.434 1.00 0.00 H new ATOM 299 N GLY A 19 87.204 3.696 -10.554 1.00 0.00 N ATOM 300 CA GLY A 19 88.152 2.841 -11.263 1.00 0.00 C ATOM 301 C GLY A 19 89.517 3.514 -11.384 1.00 0.00 C ATOM 302 O GLY A 19 90.169 3.427 -12.426 1.00 0.00 O ATOM 0 H GLY A 19 87.294 3.676 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.256 1.893 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.767 2.612 -12.257 1.00 0.00 H new ATOM 306 N LYS A 20 89.941 4.181 -10.313 1.00 0.00 N ATOM 307 CA LYS A 20 91.232 4.867 -10.304 1.00 0.00 C ATOM 308 C LYS A 20 92.251 4.070 -9.488 1.00 0.00 C ATOM 309 O LYS A 20 91.995 3.722 -8.336 1.00 0.00 O ATOM 310 CB LYS A 20 91.067 6.271 -9.707 1.00 0.00 C ATOM 311 CG LYS A 20 92.156 7.202 -10.251 1.00 0.00 C ATOM 312 CD LYS A 20 93.381 7.147 -9.335 1.00 0.00 C ATOM 313 CE LYS A 20 94.420 8.170 -9.800 1.00 0.00 C ATOM 314 NZ LYS A 20 95.175 7.617 -10.960 1.00 0.00 N ATOM 0 H LYS A 20 89.413 4.261 -9.444 1.00 0.00 H new ATOM 0 HA LYS A 20 91.595 4.951 -11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.082 6.667 -9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 20 91.128 6.223 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.432 6.904 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.779 8.223 -10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.087 7.355 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.812 6.146 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 20 93.929 9.101 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 20 95.105 8.405 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.882 8.311 -11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 95.655 6.740 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 94.516 7.414 -11.738 1.00 0.00 H new ATOM 328 N THR A 21 93.407 3.790 -10.092 1.00 0.00 N ATOM 329 CA THR A 21 94.459 3.034 -9.414 1.00 0.00 C ATOM 330 C THR A 21 95.354 3.962 -8.599 1.00 0.00 C ATOM 331 O THR A 21 95.944 4.900 -9.137 1.00 0.00 O ATOM 332 CB THR A 21 95.313 2.278 -10.441 1.00 0.00 C ATOM 333 OG1 THR A 21 95.113 2.839 -11.731 1.00 0.00 O ATOM 334 CG2 THR A 21 94.915 0.801 -10.458 1.00 0.00 C ATOM 0 H THR A 21 93.637 4.074 -11.044 1.00 0.00 H new ATOM 0 HA THR A 21 93.982 2.322 -8.741 1.00 0.00 H new ATOM 0 HB THR A 21 96.364 2.364 -10.167 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.660 2.357 -12.386 1.00 0.00 H new ATOM 0 HG21 THR A 21 95.524 0.268 -11.189 1.00 0.00 H new ATOM 0 HG22 THR A 21 95.074 0.370 -9.470 1.00 0.00 H new ATOM 0 HG23 THR A 21 93.863 0.711 -10.728 1.00 0.00 H new ATOM 342 N ILE A 22 95.445 3.690 -7.299 1.00 0.00 N ATOM 343 CA ILE A 22 96.266 4.503 -6.406 1.00 0.00 C ATOM 344 C ILE A 22 97.129 3.612 -5.518 1.00 0.00 C ATOM 345 O ILE A 22 96.637 2.653 -4.922 1.00 0.00 O ATOM 346 CB ILE A 22 95.374 5.385 -5.525 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.283 6.039 -6.382 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.224 6.476 -4.864 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.096 6.417 -5.498 1.00 0.00 C ATOM 0 H ILE A 22 94.962 2.916 -6.842 1.00 0.00 H new ATOM 0 HA ILE A 22 96.912 5.135 -7.015 1.00 0.00 H new ATOM 0 HB ILE A 22 94.908 4.769 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.678 6.926 -6.877 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.962 5.353 -7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.589 7.103 -4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.996 6.013 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.692 7.089 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.321 6.882 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.696 5.521 -5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.423 7.119 -4.730 1.00 0.00 H new ATOM 361 N THR A 23 98.415 3.940 -5.429 1.00 0.00 N ATOM 362 CA THR A 23 99.339 3.168 -4.604 1.00 0.00 C ATOM 363 C THR A 23 99.580 3.882 -3.276 1.00 0.00 C ATOM 364 O THR A 23 99.834 5.087 -3.251 1.00 0.00 O ATOM 365 CB THR A 23 100.669 2.984 -5.341 1.00 0.00 C ATOM 366 OG1 THR A 23 100.416 2.560 -6.673 1.00 0.00 O ATOM 367 CG2 THR A 23 101.514 1.931 -4.620 1.00 0.00 C ATOM 0 H THR A 23 98.839 4.730 -5.915 1.00 0.00 H new ATOM 0 HA THR A 23 98.900 2.190 -4.407 1.00 0.00 H new ATOM 0 HB THR A 23 101.209 3.931 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.232 1.597 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.460 1.801 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.708 2.258 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.976 0.983 -4.602 1.00 0.00 H new ATOM 375 N LEU A 24 99.487 3.137 -2.174 1.00 0.00 N ATOM 376 CA LEU A 24 99.684 3.719 -0.845 1.00 0.00 C ATOM 377 C LEU A 24 100.784 2.983 -0.081 1.00 0.00 C ATOM 378 O LEU A 24 100.741 1.760 0.059 1.00 0.00 O ATOM 379 CB LEU A 24 98.380 3.644 -0.039 1.00 0.00 C ATOM 380 CG LEU A 24 97.180 3.968 -0.937 1.00 0.00 C ATOM 381 CD1 LEU A 24 95.883 3.689 -0.171 1.00 0.00 C ATOM 382 CD2 LEU A 24 97.223 5.446 -1.344 1.00 0.00 C ATOM 0 H LEU A 24 99.279 2.139 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 24 99.980 4.760 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.265 2.648 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.419 4.345 0.795 1.00 0.00 H new ATOM 0 HG LEU A 24 97.219 3.346 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 24 95.028 3.919 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 24 95.849 2.638 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 24 95.847 4.311 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.369 5.673 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 24 97.185 6.070 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 24 98.146 5.647 -1.888 1.00 0.00 H new ATOM 394 N GLU A 25 101.760 3.739 0.421 1.00 0.00 N ATOM 395 CA GLU A 25 102.861 3.154 1.183 1.00 0.00 C ATOM 396 C GLU A 25 102.393 2.791 2.590 1.00 0.00 C ATOM 397 O GLU A 25 102.339 3.646 3.474 1.00 0.00 O ATOM 398 CB GLU A 25 104.024 4.146 1.271 1.00 0.00 C ATOM 399 CG GLU A 25 104.640 4.341 -0.117 1.00 0.00 C ATOM 400 CD GLU A 25 104.298 5.731 -0.647 1.00 0.00 C ATOM 401 OE1 GLU A 25 103.189 5.904 -1.128 1.00 0.00 O ATOM 402 OE2 GLU A 25 105.149 6.602 -0.564 1.00 0.00 O ATOM 0 H GLU A 25 101.810 4.752 0.314 1.00 0.00 H new ATOM 0 HA GLU A 25 103.196 2.251 0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 25 103.672 5.101 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.778 3.777 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.722 4.218 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 25 104.265 3.579 -0.801 1.00 0.00 H new ATOM 409 N VAL A 26 102.041 1.523 2.783 1.00 0.00 N ATOM 410 CA VAL A 26 101.557 1.063 4.084 1.00 0.00 C ATOM 411 C VAL A 26 102.249 -0.229 4.520 1.00 0.00 C ATOM 412 O VAL A 26 103.216 -0.675 3.900 1.00 0.00 O ATOM 413 CB VAL A 26 100.043 0.830 4.019 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.351 2.076 3.458 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.751 -0.369 3.112 1.00 0.00 C ATOM 0 H VAL A 26 102.080 0.801 2.064 1.00 0.00 H new ATOM 0 HA VAL A 26 101.788 1.836 4.817 1.00 0.00 H new ATOM 0 HB VAL A 26 99.665 0.630 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.275 1.906 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.557 2.929 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.728 2.281 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.675 -0.536 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.131 -0.169 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.239 -1.257 3.514 1.00 0.00 H new ATOM 425 N GLU A 27 101.721 -0.820 5.590 1.00 0.00 N ATOM 426 CA GLU A 27 102.255 -2.068 6.130 1.00 0.00 C ATOM 427 C GLU A 27 101.301 -3.215 5.814 1.00 0.00 C ATOM 428 O GLU A 27 100.112 -2.993 5.595 1.00 0.00 O ATOM 429 CB GLU A 27 102.426 -1.954 7.648 1.00 0.00 C ATOM 430 CG GLU A 27 103.296 -0.738 7.988 1.00 0.00 C ATOM 431 CD GLU A 27 102.947 -0.217 9.381 1.00 0.00 C ATOM 432 OE1 GLU A 27 103.068 -0.980 10.326 1.00 0.00 O ATOM 433 OE2 GLU A 27 102.564 0.938 9.483 1.00 0.00 O ATOM 0 H GLU A 27 100.919 -0.452 6.102 1.00 0.00 H new ATOM 0 HA GLU A 27 103.225 -2.263 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.451 -1.859 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.886 -2.861 8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.350 -1.012 7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.142 0.048 7.248 1.00 0.00 H new ATOM 440 N SER A 28 101.821 -4.438 5.794 1.00 0.00 N ATOM 441 CA SER A 28 100.992 -5.607 5.501 1.00 0.00 C ATOM 442 C SER A 28 99.927 -5.808 6.577 1.00 0.00 C ATOM 443 O SER A 28 98.980 -6.570 6.385 1.00 0.00 O ATOM 444 CB SER A 28 101.868 -6.857 5.406 1.00 0.00 C ATOM 445 OG SER A 28 102.601 -7.011 6.614 1.00 0.00 O ATOM 0 H SER A 28 102.803 -4.647 5.975 1.00 0.00 H new ATOM 0 HA SER A 28 100.492 -5.438 4.548 1.00 0.00 H new ATOM 0 HB2 SER A 28 101.249 -7.736 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.551 -6.773 4.561 1.00 0.00 H new ATOM 0 HG SER A 28 103.162 -7.812 6.556 1.00 0.00 H new ATOM 451 N SER A 29 100.108 -5.147 7.719 1.00 0.00 N ATOM 452 CA SER A 29 99.177 -5.277 8.834 1.00 0.00 C ATOM 453 C SER A 29 98.585 -3.924 9.225 1.00 0.00 C ATOM 454 O SER A 29 97.827 -3.832 10.192 1.00 0.00 O ATOM 455 CB SER A 29 99.900 -5.885 10.038 1.00 0.00 C ATOM 456 OG SER A 29 98.948 -6.230 11.036 1.00 0.00 O ATOM 0 H SER A 29 100.891 -4.517 7.895 1.00 0.00 H new ATOM 0 HA SER A 29 98.361 -5.928 8.520 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.459 -6.769 9.732 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.622 -5.174 10.439 1.00 0.00 H new ATOM 0 HG SER A 29 98.224 -5.570 11.039 1.00 0.00 H new ATOM 462 N ASP A 30 98.933 -2.877 8.473 1.00 0.00 N ATOM 463 CA ASP A 30 98.426 -1.533 8.758 1.00 0.00 C ATOM 464 C ASP A 30 96.912 -1.558 8.972 1.00 0.00 C ATOM 465 O ASP A 30 96.241 -2.524 8.608 1.00 0.00 O ATOM 466 CB ASP A 30 98.764 -0.586 7.599 1.00 0.00 C ATOM 467 CG ASP A 30 99.627 0.575 8.091 1.00 0.00 C ATOM 468 OD1 ASP A 30 99.296 1.144 9.119 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.605 0.881 7.432 1.00 0.00 O ATOM 0 H ASP A 30 99.558 -2.933 7.669 1.00 0.00 H new ATOM 0 HA ASP A 30 98.903 -1.176 9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.291 -1.133 6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.845 -0.202 7.156 1.00 0.00 H new ATOM 474 N THR A 31 96.380 -0.485 9.551 1.00 0.00 N ATOM 475 CA THR A 31 94.944 -0.397 9.797 1.00 0.00 C ATOM 476 C THR A 31 94.261 0.387 8.684 1.00 0.00 C ATOM 477 O THR A 31 94.913 1.129 7.946 1.00 0.00 O ATOM 478 CB THR A 31 94.670 0.284 11.143 1.00 0.00 C ATOM 479 OG1 THR A 31 94.914 1.680 11.027 1.00 0.00 O ATOM 480 CG2 THR A 31 95.584 -0.308 12.218 1.00 0.00 C ATOM 0 H THR A 31 96.915 0.328 9.856 1.00 0.00 H new ATOM 0 HA THR A 31 94.542 -1.410 9.821 1.00 0.00 H new ATOM 0 HB THR A 31 93.630 0.119 11.425 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.737 2.116 11.887 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.386 0.179 13.173 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.393 -1.377 12.309 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.625 -0.148 11.939 1.00 0.00 H new ATOM 488 N ILE A 32 92.949 0.219 8.571 1.00 0.00 N ATOM 489 CA ILE A 32 92.179 0.915 7.545 1.00 0.00 C ATOM 490 C ILE A 32 92.460 2.417 7.589 1.00 0.00 C ATOM 491 O ILE A 32 92.691 3.040 6.556 1.00 0.00 O ATOM 492 CB ILE A 32 90.683 0.655 7.756 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.394 -0.848 7.636 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.867 1.416 6.707 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.997 -1.406 6.341 1.00 0.00 C ATOM 0 H ILE A 32 92.397 -0.391 9.174 1.00 0.00 H new ATOM 0 HA ILE A 32 92.476 0.537 6.567 1.00 0.00 H new ATOM 0 HB ILE A 32 90.402 1.000 8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.810 -1.375 8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.318 -1.020 7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.805 1.226 6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 32 90.062 2.484 6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.152 1.080 5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.784 -2.473 6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.561 -0.891 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.076 -1.251 6.346 1.00 0.00 H new ATOM 507 N ASP A 33 92.437 2.993 8.788 1.00 0.00 N ATOM 508 CA ASP A 33 92.690 4.424 8.948 1.00 0.00 C ATOM 509 C ASP A 33 93.935 4.853 8.171 1.00 0.00 C ATOM 510 O ASP A 33 93.955 5.923 7.562 1.00 0.00 O ATOM 511 CB ASP A 33 92.877 4.759 10.431 1.00 0.00 C ATOM 512 CG ASP A 33 93.025 6.268 10.610 1.00 0.00 C ATOM 513 OD1 ASP A 33 92.010 6.930 10.753 1.00 0.00 O ATOM 514 OD2 ASP A 33 94.151 6.739 10.597 1.00 0.00 O ATOM 0 H ASP A 33 92.247 2.496 9.658 1.00 0.00 H new ATOM 0 HA ASP A 33 91.830 4.964 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 33 92.023 4.398 11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.759 4.250 10.819 1.00 0.00 H new ATOM 519 N ASN A 34 94.968 4.014 8.200 1.00 0.00 N ATOM 520 CA ASN A 34 96.214 4.317 7.499 1.00 0.00 C ATOM 521 C ASN A 34 96.009 4.263 5.988 1.00 0.00 C ATOM 522 O ASN A 34 96.488 5.133 5.261 1.00 0.00 O ATOM 523 CB ASN A 34 97.300 3.319 7.908 1.00 0.00 C ATOM 524 CG ASN A 34 97.891 3.714 9.258 1.00 0.00 C ATOM 525 OD1 ASN A 34 99.047 4.132 9.333 1.00 0.00 O ATOM 526 ND2 ASN A 34 97.163 3.604 10.335 1.00 0.00 N ATOM 0 H ASN A 34 94.968 3.124 8.698 1.00 0.00 H new ATOM 0 HA ASN A 34 96.526 5.325 7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.880 2.315 7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 34 98.085 3.293 7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 34 97.551 3.864 11.242 1.00 0.00 H new ATOM 0 HD22 ASN A 34 96.206 3.258 10.270 1.00 0.00 H new ATOM 533 N VAL A 35 95.287 3.247 5.524 1.00 0.00 N ATOM 534 CA VAL A 35 95.027 3.114 4.091 1.00 0.00 C ATOM 535 C VAL A 35 94.161 4.281 3.615 1.00 0.00 C ATOM 536 O VAL A 35 94.381 4.830 2.535 1.00 0.00 O ATOM 537 CB VAL A 35 94.366 1.760 3.756 1.00 0.00 C ATOM 538 CG1 VAL A 35 94.720 0.723 4.825 1.00 0.00 C ATOM 539 CG2 VAL A 35 92.840 1.905 3.671 1.00 0.00 C ATOM 0 H VAL A 35 94.878 2.516 6.105 1.00 0.00 H new ATOM 0 HA VAL A 35 95.981 3.141 3.564 1.00 0.00 H new ATOM 0 HB VAL A 35 94.742 1.429 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 35 94.249 -0.229 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 35 95.802 0.593 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.362 1.065 5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 35 92.395 0.938 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 35 92.454 2.257 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 35 92.586 2.623 2.891 1.00 0.00 H new ATOM 549 N LYS A 36 93.183 4.667 4.438 1.00 0.00 N ATOM 550 CA LYS A 36 92.304 5.778 4.093 1.00 0.00 C ATOM 551 C LYS A 36 93.098 7.079 4.048 1.00 0.00 C ATOM 552 O LYS A 36 93.214 7.705 2.997 1.00 0.00 O ATOM 553 CB LYS A 36 91.170 5.896 5.117 1.00 0.00 C ATOM 554 CG LYS A 36 90.183 4.737 4.935 1.00 0.00 C ATOM 555 CD LYS A 36 88.770 5.206 5.302 1.00 0.00 C ATOM 556 CE LYS A 36 87.869 3.992 5.549 1.00 0.00 C ATOM 557 NZ LYS A 36 87.683 3.799 7.016 1.00 0.00 N ATOM 0 H LYS A 36 92.984 4.230 5.338 1.00 0.00 H new ATOM 0 HA LYS A 36 91.873 5.589 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.578 5.883 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.654 6.848 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.205 4.386 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.473 3.896 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.805 5.832 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.360 5.818 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 36 86.903 4.139 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 36 88.314 3.100 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 87.327 2.839 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 88.594 3.928 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 86.998 4.495 7.374 1.00 0.00 H new ATOM 571 N SER A 37 93.643 7.480 5.195 1.00 0.00 N ATOM 572 CA SER A 37 94.432 8.708 5.272 1.00 0.00 C ATOM 573 C SER A 37 95.433 8.761 4.118 1.00 0.00 C ATOM 574 O SER A 37 95.538 9.766 3.417 1.00 0.00 O ATOM 575 CB SER A 37 95.174 8.769 6.609 1.00 0.00 C ATOM 576 OG SER A 37 96.113 7.702 6.678 1.00 0.00 O ATOM 0 H SER A 37 93.554 6.977 6.078 1.00 0.00 H new ATOM 0 HA SER A 37 93.761 9.564 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.686 9.726 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.465 8.698 7.434 1.00 0.00 H new ATOM 0 HG SER A 37 95.638 6.856 6.817 1.00 0.00 H new ATOM 582 N LYS A 38 96.159 7.663 3.925 1.00 0.00 N ATOM 583 CA LYS A 38 97.141 7.587 2.847 1.00 0.00 C ATOM 584 C LYS A 38 96.490 7.963 1.519 1.00 0.00 C ATOM 585 O LYS A 38 97.118 8.586 0.662 1.00 0.00 O ATOM 586 CB LYS A 38 97.717 6.172 2.751 1.00 0.00 C ATOM 587 CG LYS A 38 98.748 5.956 3.863 1.00 0.00 C ATOM 588 CD LYS A 38 100.156 6.214 3.318 1.00 0.00 C ATOM 589 CE LYS A 38 101.140 6.347 4.484 1.00 0.00 C ATOM 590 NZ LYS A 38 101.043 5.142 5.356 1.00 0.00 N ATOM 0 H LYS A 38 96.087 6.820 4.495 1.00 0.00 H new ATOM 0 HA LYS A 38 97.948 8.286 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.917 5.437 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 38 98.183 6.024 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.542 6.626 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.677 4.938 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.459 5.397 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.164 7.123 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 38 102.157 6.454 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 38 100.918 7.245 5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 101.723 5.224 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 100.080 5.069 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.259 4.291 4.798 1.00 0.00 H new ATOM 604 N ILE A 39 95.223 7.582 1.361 1.00 0.00 N ATOM 605 CA ILE A 39 94.485 7.884 0.139 1.00 0.00 C ATOM 606 C ILE A 39 94.251 9.391 0.006 1.00 0.00 C ATOM 607 O ILE A 39 94.470 9.962 -1.062 1.00 0.00 O ATOM 608 CB ILE A 39 93.144 7.118 0.131 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.047 6.268 -1.144 1.00 0.00 C ATOM 610 CG2 ILE A 39 91.953 8.088 0.186 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.014 7.174 -2.379 1.00 0.00 C ATOM 0 H ILE A 39 94.690 7.066 2.061 1.00 0.00 H new ATOM 0 HA ILE A 39 95.077 7.561 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 39 93.110 6.478 1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.898 5.589 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.149 5.651 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.022 7.522 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.010 8.682 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 39 91.982 8.749 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 39 92.945 6.561 -3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.149 7.834 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 39 93.925 7.772 -2.416 1.00 0.00 H new ATOM 623 N GLN A 40 93.794 10.029 1.087 1.00 0.00 N ATOM 624 CA GLN A 40 93.523 11.467 1.057 1.00 0.00 C ATOM 625 C GLN A 40 94.776 12.253 0.679 1.00 0.00 C ATOM 626 O GLN A 40 94.685 13.351 0.138 1.00 0.00 O ATOM 627 CB GLN A 40 92.977 11.941 2.412 1.00 0.00 C ATOM 628 CG GLN A 40 94.118 12.184 3.411 1.00 0.00 C ATOM 629 CD GLN A 40 94.184 13.663 3.776 1.00 0.00 C ATOM 630 OE1 GLN A 40 94.849 14.443 3.093 1.00 0.00 O ATOM 631 NE2 GLN A 40 93.530 14.099 4.818 1.00 0.00 N ATOM 0 H GLN A 40 93.606 9.579 1.983 1.00 0.00 H new ATOM 0 HA GLN A 40 92.766 11.652 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.406 12.859 2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.291 11.195 2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 40 93.960 11.586 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.066 11.865 2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 40 92.980 13.452 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 40 93.569 15.087 5.068 1.00 0.00 H new ATOM 640 N ASP A 41 95.943 11.685 0.952 1.00 0.00 N ATOM 641 CA ASP A 41 97.191 12.353 0.607 1.00 0.00 C ATOM 642 C ASP A 41 97.413 12.263 -0.900 1.00 0.00 C ATOM 643 O ASP A 41 98.101 13.092 -1.496 1.00 0.00 O ATOM 644 CB ASP A 41 98.359 11.694 1.349 1.00 0.00 C ATOM 645 CG ASP A 41 99.672 12.381 0.979 1.00 0.00 C ATOM 646 OD1 ASP A 41 99.986 13.387 1.595 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.342 11.893 0.084 1.00 0.00 O ATOM 0 H ASP A 41 96.052 10.777 1.404 1.00 0.00 H new ATOM 0 HA ASP A 41 97.135 13.401 0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.198 11.757 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.410 10.635 1.095 1.00 0.00 H new ATOM 652 N LYS A 42 96.832 11.224 -1.495 1.00 0.00 N ATOM 653 CA LYS A 42 96.967 10.981 -2.928 1.00 0.00 C ATOM 654 C LYS A 42 95.843 11.635 -3.738 1.00 0.00 C ATOM 655 O LYS A 42 96.089 12.145 -4.832 1.00 0.00 O ATOM 656 CB LYS A 42 96.968 9.472 -3.194 1.00 0.00 C ATOM 657 CG LYS A 42 98.005 8.787 -2.294 1.00 0.00 C ATOM 658 CD LYS A 42 99.250 8.428 -3.111 1.00 0.00 C ATOM 659 CE LYS A 42 100.378 8.002 -2.167 1.00 0.00 C ATOM 660 NZ LYS A 42 101.487 7.400 -2.959 1.00 0.00 N ATOM 0 H LYS A 42 96.262 10.535 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 42 97.909 11.428 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 42 95.978 9.059 -3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.197 9.278 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.278 9.448 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 42 97.578 7.887 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.020 7.621 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.565 9.284 -3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.743 8.863 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 42 100.005 7.282 -1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 102.239 7.080 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.126 6.589 -3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 101.871 8.111 -3.614 1.00 0.00 H new ATOM 674 N GLU A 43 94.610 11.599 -3.221 1.00 0.00 N ATOM 675 CA GLU A 43 93.472 12.173 -3.948 1.00 0.00 C ATOM 676 C GLU A 43 92.786 13.293 -3.162 1.00 0.00 C ATOM 677 O GLU A 43 91.756 13.813 -3.593 1.00 0.00 O ATOM 678 CB GLU A 43 92.447 11.073 -4.244 1.00 0.00 C ATOM 679 CG GLU A 43 93.018 10.098 -5.278 1.00 0.00 C ATOM 680 CD GLU A 43 91.884 9.323 -5.949 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.051 8.791 -5.233 1.00 0.00 O ATOM 682 OE2 GLU A 43 91.868 9.271 -7.168 1.00 0.00 O ATOM 0 H GLU A 43 94.376 11.186 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 43 93.859 12.601 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.197 10.540 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.523 11.515 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.590 10.644 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.707 9.405 -4.795 1.00 0.00 H new ATOM 689 N GLY A 44 93.360 13.673 -2.024 1.00 0.00 N ATOM 690 CA GLY A 44 92.783 14.746 -1.210 1.00 0.00 C ATOM 691 C GLY A 44 91.545 14.266 -0.455 1.00 0.00 C ATOM 692 O GLY A 44 91.345 14.613 0.709 1.00 0.00 O ATOM 0 H GLY A 44 94.213 13.262 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.527 15.107 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.518 15.588 -1.849 1.00 0.00 H new ATOM 696 N ILE A 45 90.715 13.476 -1.138 1.00 0.00 N ATOM 697 CA ILE A 45 89.484 12.947 -0.550 1.00 0.00 C ATOM 698 C ILE A 45 89.705 12.521 0.904 1.00 0.00 C ATOM 699 O ILE A 45 90.395 11.535 1.167 1.00 0.00 O ATOM 700 CB ILE A 45 88.997 11.741 -1.366 1.00 0.00 C ATOM 701 CG1 ILE A 45 88.880 12.132 -2.850 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.634 11.277 -0.841 1.00 0.00 C ATOM 703 CD1 ILE A 45 87.631 12.990 -3.075 1.00 0.00 C ATOM 0 H ILE A 45 90.874 13.188 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 45 88.733 13.736 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 45 89.714 10.926 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 45 89.769 12.682 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 45 88.830 11.235 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.292 10.421 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.726 10.990 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 45 86.913 12.089 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 45 87.560 13.260 -4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 45 86.745 12.426 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.698 13.896 -2.472 1.00 0.00 H new ATOM 715 N PRO A 46 89.137 13.243 1.847 1.00 0.00 N ATOM 716 CA PRO A 46 89.287 12.926 3.295 1.00 0.00 C ATOM 717 C PRO A 46 88.980 11.457 3.599 1.00 0.00 C ATOM 718 O PRO A 46 88.103 10.856 2.976 1.00 0.00 O ATOM 719 CB PRO A 46 88.291 13.848 4.013 1.00 0.00 C ATOM 720 CG PRO A 46 87.600 14.667 2.964 1.00 0.00 C ATOM 721 CD PRO A 46 88.304 14.431 1.628 1.00 0.00 C ATOM 0 HA PRO A 46 90.314 13.084 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.568 13.263 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.808 14.492 4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.549 14.386 2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.630 15.724 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.585 14.267 0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.909 15.291 1.343 1.00 0.00 H new ATOM 729 N PRO A 47 89.690 10.878 4.537 1.00 0.00 N ATOM 730 CA PRO A 47 89.503 9.453 4.933 1.00 0.00 C ATOM 731 C PRO A 47 88.036 9.109 5.189 1.00 0.00 C ATOM 732 O PRO A 47 87.598 7.989 4.928 1.00 0.00 O ATOM 733 CB PRO A 47 90.323 9.292 6.223 1.00 0.00 C ATOM 734 CG PRO A 47 90.940 10.623 6.531 1.00 0.00 C ATOM 735 CD PRO A 47 90.751 11.527 5.317 1.00 0.00 C ATOM 0 HA PRO A 47 89.826 8.781 4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.686 8.965 7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.094 8.532 6.096 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.472 11.065 7.411 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.000 10.508 6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.465 12.536 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.671 11.614 4.740 1.00 0.00 H new ATOM 743 N ASP A 48 87.286 10.076 5.711 1.00 0.00 N ATOM 744 CA ASP A 48 85.873 9.862 6.010 1.00 0.00 C ATOM 745 C ASP A 48 85.025 9.897 4.738 1.00 0.00 C ATOM 746 O ASP A 48 84.105 9.091 4.579 1.00 0.00 O ATOM 747 CB ASP A 48 85.380 10.938 6.982 1.00 0.00 C ATOM 748 CG ASP A 48 83.924 10.673 7.361 1.00 0.00 C ATOM 749 OD1 ASP A 48 83.053 11.173 6.668 1.00 0.00 O ATOM 750 OD2 ASP A 48 83.702 9.975 8.337 1.00 0.00 O ATOM 0 H ASP A 48 87.630 11.010 5.935 1.00 0.00 H new ATOM 0 HA ASP A 48 85.770 8.877 6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 48 86.002 10.944 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 48 85.472 11.923 6.524 1.00 0.00 H new ATOM 755 N GLN A 49 85.327 10.837 3.843 1.00 0.00 N ATOM 756 CA GLN A 49 84.571 10.970 2.597 1.00 0.00 C ATOM 757 C GLN A 49 84.626 9.684 1.774 1.00 0.00 C ATOM 758 O GLN A 49 83.802 9.480 0.884 1.00 0.00 O ATOM 759 CB GLN A 49 85.123 12.135 1.769 1.00 0.00 C ATOM 760 CG GLN A 49 84.211 12.394 0.563 1.00 0.00 C ATOM 761 CD GLN A 49 84.335 13.848 0.116 1.00 0.00 C ATOM 762 OE1 GLN A 49 85.362 14.243 -0.436 1.00 0.00 O ATOM 763 NE2 GLN A 49 83.344 14.673 0.321 1.00 0.00 N ATOM 0 H GLN A 49 86.083 11.513 3.955 1.00 0.00 H new ATOM 0 HA GLN A 49 83.531 11.166 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.190 13.032 2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 49 86.133 11.906 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.481 11.729 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.176 12.173 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 49 82.493 14.345 0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 49 83.420 15.646 0.024 1.00 0.00 H new ATOM 772 N GLN A 50 85.596 8.824 2.069 1.00 0.00 N ATOM 773 CA GLN A 50 85.735 7.566 1.339 1.00 0.00 C ATOM 774 C GLN A 50 85.605 6.369 2.280 1.00 0.00 C ATOM 775 O GLN A 50 85.681 6.513 3.501 1.00 0.00 O ATOM 776 CB GLN A 50 87.091 7.522 0.626 1.00 0.00 C ATOM 777 CG GLN A 50 88.225 7.603 1.655 1.00 0.00 C ATOM 778 CD GLN A 50 88.846 6.224 1.859 1.00 0.00 C ATOM 779 OE1 GLN A 50 88.132 5.237 2.037 1.00 0.00 O ATOM 780 NE2 GLN A 50 90.142 6.097 1.848 1.00 0.00 N ATOM 0 H GLN A 50 86.291 8.971 2.800 1.00 0.00 H new ATOM 0 HA GLN A 50 84.935 7.510 0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.178 6.602 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.168 8.350 -0.079 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.985 8.306 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.841 7.981 2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.733 6.915 1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.566 5.180 1.987 1.00 0.00 H new ATOM 789 N ARG A 51 85.416 5.190 1.692 1.00 0.00 N ATOM 790 CA ARG A 51 85.281 3.955 2.464 1.00 0.00 C ATOM 791 C ARG A 51 85.981 2.811 1.737 1.00 0.00 C ATOM 792 O ARG A 51 86.407 2.970 0.595 1.00 0.00 O ATOM 793 CB ARG A 51 83.799 3.602 2.662 1.00 0.00 C ATOM 794 CG ARG A 51 82.985 4.877 2.906 1.00 0.00 C ATOM 795 CD ARG A 51 81.520 4.516 3.161 1.00 0.00 C ATOM 796 NE ARG A 51 80.730 5.728 3.349 1.00 0.00 N ATOM 797 CZ ARG A 51 79.779 5.794 4.276 1.00 0.00 C ATOM 798 NH1 ARG A 51 78.701 5.069 4.159 1.00 0.00 N ATOM 799 NH2 ARG A 51 79.925 6.585 5.304 1.00 0.00 N ATOM 0 H ARG A 51 85.353 5.063 0.682 1.00 0.00 H new ATOM 0 HA ARG A 51 85.742 4.106 3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.420 3.081 1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.688 2.923 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.389 5.420 3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.061 5.539 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.127 3.943 2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.442 3.881 4.044 1.00 0.00 H new ATOM 0 HE ARG A 51 80.911 6.540 2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 51 78.587 4.451 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 51 77.972 5.120 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 51 80.768 7.152 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 51 79.196 6.636 6.016 1.00 0.00 H new ATOM 813 N LEU A 52 86.097 1.660 2.396 1.00 0.00 N ATOM 814 CA LEU A 52 86.747 0.504 1.783 1.00 0.00 C ATOM 815 C LEU A 52 85.866 -0.734 1.915 1.00 0.00 C ATOM 816 O LEU A 52 85.558 -1.176 3.021 1.00 0.00 O ATOM 817 CB LEU A 52 88.104 0.244 2.449 1.00 0.00 C ATOM 818 CG LEU A 52 89.202 1.015 1.704 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.557 2.286 2.479 1.00 0.00 C ATOM 820 CD2 LEU A 52 90.449 0.133 1.572 1.00 0.00 C ATOM 0 H LEU A 52 85.754 1.503 3.344 1.00 0.00 H new ATOM 0 HA LEU A 52 86.902 0.718 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.073 0.555 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.326 -0.823 2.440 1.00 0.00 H new ATOM 0 HG LEU A 52 88.841 1.286 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.337 2.831 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 52 88.672 2.916 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 52 89.915 2.018 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 52 91.228 0.681 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 52 90.808 -0.141 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 52 90.199 -0.770 1.015 1.00 0.00 H new ATOM 832 N ILE A 53 85.464 -1.285 0.773 1.00 0.00 N ATOM 833 CA ILE A 53 84.616 -2.476 0.755 1.00 0.00 C ATOM 834 C ILE A 53 85.395 -3.649 0.167 1.00 0.00 C ATOM 835 O ILE A 53 85.889 -3.563 -0.958 1.00 0.00 O ATOM 836 CB ILE A 53 83.357 -2.213 -0.090 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.352 -1.367 0.707 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.700 -3.544 -0.466 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.956 -0.003 1.057 1.00 0.00 C ATOM 0 H ILE A 53 85.710 -0.928 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 53 84.315 -2.716 1.775 1.00 0.00 H new ATOM 0 HB ILE A 53 83.648 -1.676 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.441 -1.229 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.070 -1.891 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 53 81.809 -3.354 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.402 -4.146 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.421 -4.081 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.230 0.582 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.853 -0.146 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.215 0.526 0.140 1.00 0.00 H new ATOM 851 N TRP A 54 85.513 -4.739 0.926 1.00 0.00 N ATOM 852 CA TRP A 54 86.249 -5.907 0.451 1.00 0.00 C ATOM 853 C TRP A 54 85.437 -7.188 0.644 1.00 0.00 C ATOM 854 O TRP A 54 84.906 -7.447 1.726 1.00 0.00 O ATOM 855 CB TRP A 54 87.582 -6.024 1.200 1.00 0.00 C ATOM 856 CG TRP A 54 88.174 -7.383 0.978 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.521 -8.249 1.959 1.00 0.00 C ATOM 858 CD2 TRP A 54 88.486 -8.047 -0.281 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.026 -9.399 1.382 1.00 0.00 N ATOM 860 CE2 TRP A 54 89.025 -9.323 0.003 1.00 0.00 C ATOM 861 CE3 TRP A 54 88.354 -7.669 -1.630 1.00 0.00 C ATOM 862 CZ2 TRP A 54 89.420 -10.194 -1.012 1.00 0.00 C ATOM 863 CZ3 TRP A 54 88.750 -8.542 -2.656 1.00 0.00 C ATOM 864 CH2 TRP A 54 89.282 -9.803 -2.347 1.00 0.00 C ATOM 0 H TRP A 54 85.114 -4.836 1.860 1.00 0.00 H new ATOM 0 HA TRP A 54 86.437 -5.778 -0.615 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.273 -5.256 0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.427 -5.855 2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.420 -8.070 3.019 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.359 -10.206 1.910 1.00 0.00 H new ATOM 0 HE3 TRP A 54 87.945 -6.701 -1.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 89.829 -11.163 -0.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 88.645 -8.241 -3.688 1.00 0.00 H new ATOM 0 HH2 TRP A 54 89.585 -10.471 -3.140 1.00 0.00 H new ATOM 875 N ALA A 55 85.368 -7.988 -0.418 1.00 0.00 N ATOM 876 CA ALA A 55 84.644 -9.257 -0.393 1.00 0.00 C ATOM 877 C ALA A 55 83.190 -9.072 0.040 1.00 0.00 C ATOM 878 O ALA A 55 82.744 -9.665 1.024 1.00 0.00 O ATOM 879 CB ALA A 55 85.347 -10.240 0.550 1.00 0.00 C ATOM 0 H ALA A 55 85.809 -7.777 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 55 84.641 -9.658 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 55 84.802 -11.184 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.365 -10.414 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.375 -9.822 1.556 1.00 0.00 H new ATOM 885 N GLY A 56 82.448 -8.266 -0.719 1.00 0.00 N ATOM 886 CA GLY A 56 81.034 -8.023 -0.436 1.00 0.00 C ATOM 887 C GLY A 56 80.789 -7.506 0.982 1.00 0.00 C ATOM 888 O GLY A 56 79.638 -7.338 1.387 1.00 0.00 O ATOM 0 H GLY A 56 82.804 -7.770 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.645 -7.300 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.476 -8.948 -0.581 1.00 0.00 H new ATOM 892 N LYS A 57 81.859 -7.261 1.736 1.00 0.00 N ATOM 893 CA LYS A 57 81.714 -6.772 3.105 1.00 0.00 C ATOM 894 C LYS A 57 82.446 -5.450 3.291 1.00 0.00 C ATOM 895 O LYS A 57 83.585 -5.289 2.852 1.00 0.00 O ATOM 896 CB LYS A 57 82.267 -7.803 4.093 1.00 0.00 C ATOM 897 CG LYS A 57 81.825 -7.443 5.518 1.00 0.00 C ATOM 898 CD LYS A 57 82.952 -7.756 6.506 1.00 0.00 C ATOM 899 CE LYS A 57 82.608 -7.167 7.877 1.00 0.00 C ATOM 900 NZ LYS A 57 83.669 -7.531 8.857 1.00 0.00 N ATOM 0 H LYS A 57 82.823 -7.391 1.428 1.00 0.00 H new ATOM 0 HA LYS A 57 80.653 -6.614 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.910 -8.799 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 57 83.355 -7.829 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.565 -6.386 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.930 -8.005 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 57 83.091 -8.834 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 57 83.892 -7.340 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.520 -6.083 7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.642 -7.544 8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 83.721 -6.804 9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 83.442 -8.450 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 84.585 -7.594 8.369 1.00 0.00 H new ATOM 914 N GLN A 58 81.784 -4.511 3.961 1.00 0.00 N ATOM 915 CA GLN A 58 82.380 -3.206 4.223 1.00 0.00 C ATOM 916 C GLN A 58 83.469 -3.338 5.278 1.00 0.00 C ATOM 917 O GLN A 58 83.250 -3.941 6.329 1.00 0.00 O ATOM 918 CB GLN A 58 81.311 -2.223 4.712 1.00 0.00 C ATOM 919 CG GLN A 58 80.112 -2.241 3.761 1.00 0.00 C ATOM 920 CD GLN A 58 79.446 -0.868 3.739 1.00 0.00 C ATOM 921 OE1 GLN A 58 80.046 0.105 3.284 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.237 -0.730 4.209 1.00 0.00 N ATOM 0 H GLN A 58 80.840 -4.629 4.330 1.00 0.00 H new ATOM 0 HA GLN A 58 82.814 -2.828 3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.991 -2.491 5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.727 -1.217 4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.437 -2.513 2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 58 79.395 -2.998 4.080 1.00 0.00 H new ATOM 0 HE21 GLN A 58 77.741 -1.538 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.788 0.186 4.200 1.00 0.00 H new ATOM 931 N LEU A 59 84.642 -2.786 4.994 1.00 0.00 N ATOM 932 CA LEU A 59 85.757 -2.866 5.936 1.00 0.00 C ATOM 933 C LEU A 59 85.598 -1.835 7.050 1.00 0.00 C ATOM 934 O LEU A 59 85.284 -0.672 6.792 1.00 0.00 O ATOM 935 CB LEU A 59 87.088 -2.636 5.211 1.00 0.00 C ATOM 936 CG LEU A 59 87.369 -3.805 4.257 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.430 -3.390 3.235 1.00 0.00 C ATOM 938 CD2 LEU A 59 87.877 -5.010 5.058 1.00 0.00 C ATOM 0 H LEU A 59 84.847 -2.283 4.131 1.00 0.00 H new ATOM 0 HA LEU A 59 85.756 -3.864 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.052 -1.700 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.897 -2.544 5.936 1.00 0.00 H new ATOM 0 HG LEU A 59 86.450 -4.075 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.628 -4.221 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.070 -2.535 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.349 -3.118 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.076 -5.840 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.795 -4.739 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.121 -5.309 5.785 1.00 0.00 H new ATOM 950 N GLU A 60 85.816 -2.273 8.289 1.00 0.00 N ATOM 951 CA GLU A 60 85.695 -1.386 9.445 1.00 0.00 C ATOM 952 C GLU A 60 87.037 -0.730 9.755 1.00 0.00 C ATOM 953 O GLU A 60 88.083 -1.364 9.648 1.00 0.00 O ATOM 954 CB GLU A 60 85.216 -2.180 10.666 1.00 0.00 C ATOM 955 CG GLU A 60 83.691 -2.329 10.622 1.00 0.00 C ATOM 956 CD GLU A 60 83.262 -2.988 9.313 1.00 0.00 C ATOM 957 OE1 GLU A 60 83.497 -4.177 9.168 1.00 0.00 O ATOM 958 OE2 GLU A 60 82.709 -2.293 8.476 1.00 0.00 O ATOM 0 H GLU A 60 86.076 -3.232 8.518 1.00 0.00 H new ATOM 0 HA GLU A 60 84.968 -0.609 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.687 -3.163 10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.515 -1.671 11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 60 83.353 -2.928 11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.220 -1.351 10.716 1.00 0.00 H new ATOM 965 N ASP A 61 86.995 0.548 10.125 1.00 0.00 N ATOM 966 CA ASP A 61 88.212 1.295 10.438 1.00 0.00 C ATOM 967 C ASP A 61 89.113 0.519 11.405 1.00 0.00 C ATOM 968 O ASP A 61 90.336 0.664 11.374 1.00 0.00 O ATOM 969 CB ASP A 61 87.848 2.648 11.055 1.00 0.00 C ATOM 970 CG ASP A 61 87.214 2.445 12.429 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.033 2.137 12.476 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.919 2.596 13.414 1.00 0.00 O ATOM 0 H ASP A 61 86.134 1.087 10.215 1.00 0.00 H new ATOM 0 HA ASP A 61 88.759 1.447 9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 61 88.741 3.267 11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.156 3.180 10.402 1.00 0.00 H new ATOM 977 N GLY A 62 88.501 -0.295 12.264 1.00 0.00 N ATOM 978 CA GLY A 62 89.257 -1.079 13.242 1.00 0.00 C ATOM 979 C GLY A 62 89.884 -2.322 12.608 1.00 0.00 C ATOM 980 O GLY A 62 90.581 -3.083 13.280 1.00 0.00 O ATOM 0 H GLY A 62 87.491 -0.429 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 62 90.040 -0.459 13.678 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.597 -1.379 14.056 1.00 0.00 H new ATOM 984 N ARG A 63 89.629 -2.526 11.319 1.00 0.00 N ATOM 985 CA ARG A 63 90.171 -3.685 10.611 1.00 0.00 C ATOM 986 C ARG A 63 91.643 -3.474 10.269 1.00 0.00 C ATOM 987 O ARG A 63 92.098 -2.342 10.105 1.00 0.00 O ATOM 988 CB ARG A 63 89.367 -3.931 9.326 1.00 0.00 C ATOM 989 CG ARG A 63 89.769 -5.272 8.695 1.00 0.00 C ATOM 990 CD ARG A 63 89.466 -6.426 9.659 1.00 0.00 C ATOM 991 NE ARG A 63 88.150 -6.257 10.268 1.00 0.00 N ATOM 992 CZ ARG A 63 87.375 -7.305 10.536 1.00 0.00 C ATOM 993 NH1 ARG A 63 87.907 -8.420 10.958 1.00 0.00 N ATOM 994 NH2 ARG A 63 86.082 -7.217 10.381 1.00 0.00 N ATOM 0 H ARG A 63 89.054 -1.909 10.745 1.00 0.00 H new ATOM 0 HA ARG A 63 90.091 -4.555 11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.300 -3.932 9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.543 -3.121 8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 63 89.228 -5.418 7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.831 -5.263 8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 63 89.505 -7.374 9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 63 90.229 -6.467 10.436 1.00 0.00 H new ATOM 0 HE ARG A 63 87.819 -5.319 10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 63 88.917 -8.488 11.082 1.00 0.00 H new ATOM 0 HH12 ARG A 63 87.313 -9.223 11.163 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.666 -6.345 10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.488 -8.020 10.586 1.00 0.00 H new ATOM 1008 N THR A 64 92.381 -4.578 10.162 1.00 0.00 N ATOM 1009 CA THR A 64 93.804 -4.518 9.837 1.00 0.00 C ATOM 1010 C THR A 64 94.066 -5.144 8.470 1.00 0.00 C ATOM 1011 O THR A 64 93.237 -5.888 7.946 1.00 0.00 O ATOM 1012 CB THR A 64 94.622 -5.252 10.903 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.933 -6.430 11.302 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.822 -4.338 12.115 1.00 0.00 C ATOM 0 H THR A 64 92.018 -5.522 10.295 1.00 0.00 H new ATOM 0 HA THR A 64 94.106 -3.471 9.811 1.00 0.00 H new ATOM 0 HB THR A 64 95.594 -5.523 10.491 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.457 -6.901 11.983 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.404 -4.861 12.873 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.353 -3.437 11.808 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.851 -4.064 12.528 1.00 0.00 H new ATOM 1022 N LEU A 65 95.226 -4.833 7.902 1.00 0.00 N ATOM 1023 CA LEU A 65 95.602 -5.359 6.593 1.00 0.00 C ATOM 1024 C LEU A 65 95.907 -6.855 6.683 1.00 0.00 C ATOM 1025 O LEU A 65 95.472 -7.641 5.840 1.00 0.00 O ATOM 1026 CB LEU A 65 96.831 -4.596 6.070 1.00 0.00 C ATOM 1027 CG LEU A 65 96.385 -3.398 5.218 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.592 -2.793 4.498 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.353 -3.845 4.174 1.00 0.00 C ATOM 0 H LEU A 65 95.922 -4.220 8.326 1.00 0.00 H new ATOM 0 HA LEU A 65 94.770 -5.222 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.438 -4.251 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.457 -5.262 5.476 1.00 0.00 H new ATOM 0 HG LEU A 65 95.937 -2.653 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.268 -1.944 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.324 -2.458 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.045 -3.545 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.045 -2.987 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.796 -4.599 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.484 -4.267 4.679 1.00 0.00 H new ATOM 1041 N SER A 66 96.658 -7.232 7.711 1.00 0.00 N ATOM 1042 CA SER A 66 97.033 -8.629 7.923 1.00 0.00 C ATOM 1043 C SER A 66 95.808 -9.487 8.234 1.00 0.00 C ATOM 1044 O SER A 66 95.894 -10.716 8.255 1.00 0.00 O ATOM 1045 CB SER A 66 98.035 -8.727 9.073 1.00 0.00 C ATOM 1046 OG SER A 66 98.504 -10.066 9.178 1.00 0.00 O ATOM 0 H SER A 66 97.021 -6.589 8.414 1.00 0.00 H new ATOM 0 HA SER A 66 97.489 -9.002 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.871 -8.050 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.564 -8.420 10.007 1.00 0.00 H new ATOM 0 HG SER A 66 97.857 -10.673 8.762 1.00 0.00 H new ATOM 1052 N ASP A 67 94.669 -8.836 8.465 1.00 0.00 N ATOM 1053 CA ASP A 67 93.435 -9.560 8.762 1.00 0.00 C ATOM 1054 C ASP A 67 93.150 -10.575 7.658 1.00 0.00 C ATOM 1055 O ASP A 67 93.103 -11.780 7.905 1.00 0.00 O ATOM 1056 CB ASP A 67 92.262 -8.582 8.877 1.00 0.00 C ATOM 1057 CG ASP A 67 90.978 -9.339 9.210 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.305 -9.763 8.284 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.687 -9.484 10.386 1.00 0.00 O ATOM 0 H ASP A 67 94.575 -7.820 8.453 1.00 0.00 H new ATOM 0 HA ASP A 67 93.555 -10.083 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.469 -7.843 9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.140 -8.037 7.941 1.00 0.00 H new ATOM 1064 N TYR A 68 92.973 -10.072 6.439 1.00 0.00 N ATOM 1065 CA TYR A 68 92.704 -10.933 5.293 1.00 0.00 C ATOM 1066 C TYR A 68 94.011 -11.482 4.726 1.00 0.00 C ATOM 1067 O TYR A 68 94.007 -12.228 3.746 1.00 0.00 O ATOM 1068 CB TYR A 68 91.965 -10.144 4.209 1.00 0.00 C ATOM 1069 CG TYR A 68 90.554 -9.853 4.669 1.00 0.00 C ATOM 1070 CD1 TYR A 68 89.530 -10.770 4.404 1.00 0.00 C ATOM 1071 CD2 TYR A 68 90.273 -8.670 5.363 1.00 0.00 C ATOM 1072 CE1 TYR A 68 88.225 -10.504 4.832 1.00 0.00 C ATOM 1073 CE2 TYR A 68 88.968 -8.404 5.790 1.00 0.00 C ATOM 1074 CZ TYR A 68 87.943 -9.320 5.526 1.00 0.00 C ATOM 1075 OH TYR A 68 86.656 -9.058 5.948 1.00 0.00 O ATOM 0 H TYR A 68 93.011 -9.076 6.221 1.00 0.00 H new ATOM 0 HA TYR A 68 92.082 -11.766 5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 68 92.490 -9.212 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 68 91.946 -10.713 3.280 1.00 0.00 H new ATOM 0 HD1 TYR A 68 89.747 -11.683 3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 68 91.063 -7.963 5.568 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.435 -11.211 4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.751 -7.491 6.324 1.00 0.00 H new ATOM 0 HH TYR A 68 86.634 -8.196 6.414 1.00 0.00 H new ATOM 1085 N ASN A 69 95.126 -11.088 5.346 1.00 0.00 N ATOM 1086 CA ASN A 69 96.454 -11.518 4.908 1.00 0.00 C ATOM 1087 C ASN A 69 96.880 -10.727 3.674 1.00 0.00 C ATOM 1088 O ASN A 69 97.319 -11.294 2.671 1.00 0.00 O ATOM 1089 CB ASN A 69 96.473 -13.024 4.605 1.00 0.00 C ATOM 1090 CG ASN A 69 95.694 -13.789 5.674 1.00 0.00 C ATOM 1091 OD1 ASN A 69 95.913 -13.587 6.869 1.00 0.00 O ATOM 1092 ND2 ASN A 69 94.791 -14.658 5.312 1.00 0.00 N ATOM 0 H ASN A 69 95.134 -10.469 6.157 1.00 0.00 H new ATOM 0 HA ASN A 69 97.159 -11.326 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.036 -13.210 3.624 1.00 0.00 H new ATOM 0 HB3 ASN A 69 97.502 -13.382 4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 69 94.265 -15.171 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 69 94.611 -14.824 4.322 1.00 0.00 H new ATOM 1099 N ILE A 70 96.743 -9.406 3.766 1.00 0.00 N ATOM 1100 CA ILE A 70 97.110 -8.520 2.665 1.00 0.00 C ATOM 1101 C ILE A 70 98.621 -8.329 2.617 1.00 0.00 C ATOM 1102 O ILE A 70 99.217 -7.779 3.545 1.00 0.00 O ATOM 1103 CB ILE A 70 96.416 -7.162 2.834 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.893 -7.339 2.716 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.905 -6.187 1.757 1.00 0.00 C ATOM 1106 CD1 ILE A 70 94.539 -8.014 1.386 1.00 0.00 C ATOM 0 H ILE A 70 96.381 -8.927 4.590 1.00 0.00 H new ATOM 0 HA ILE A 70 96.786 -8.974 1.728 1.00 0.00 H new ATOM 0 HB ILE A 70 96.658 -6.759 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.524 -7.941 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.401 -6.369 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.408 -5.225 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.983 -6.053 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.673 -6.588 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 70 93.458 -8.133 1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 70 94.891 -7.396 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 70 95.016 -8.993 1.336 1.00 0.00 H new ATOM 1118 N GLN A 71 99.233 -8.789 1.529 1.00 0.00 N ATOM 1119 CA GLN A 71 100.677 -8.668 1.360 1.00 0.00 C ATOM 1120 C GLN A 71 101.043 -7.265 0.878 1.00 0.00 C ATOM 1121 O GLN A 71 100.595 -6.269 1.449 1.00 0.00 O ATOM 1122 CB GLN A 71 101.173 -9.720 0.360 1.00 0.00 C ATOM 1123 CG GLN A 71 100.783 -11.120 0.845 1.00 0.00 C ATOM 1124 CD GLN A 71 99.858 -11.787 -0.171 1.00 0.00 C ATOM 1125 OE1 GLN A 71 98.583 -11.512 -0.158 1.00 0.00 O flip ATOM 1126 NE2 GLN A 71 100.313 -12.576 -0.999 1.00 0.00 N flip ATOM 0 H GLN A 71 98.753 -9.247 0.754 1.00 0.00 H new ATOM 0 HA GLN A 71 101.160 -8.837 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 71 100.742 -9.532 -0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 71 102.255 -9.651 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.677 -11.726 0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.286 -11.053 1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 71 101.311 -12.789 -1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 71 99.692 -13.017 -1.678 1.00 0.00 H new ATOM 1135 N ARG A 72 101.866 -7.190 -0.167 1.00 0.00 N ATOM 1136 CA ARG A 72 102.295 -5.902 -0.709 1.00 0.00 C ATOM 1137 C ARG A 72 101.509 -5.547 -1.967 1.00 0.00 C ATOM 1138 O ARG A 72 101.100 -4.400 -2.147 1.00 0.00 O ATOM 1139 CB ARG A 72 103.792 -5.944 -1.038 1.00 0.00 C ATOM 1140 CG ARG A 72 104.495 -6.953 -0.126 1.00 0.00 C ATOM 1141 CD ARG A 72 105.997 -6.663 -0.096 1.00 0.00 C ATOM 1142 NE ARG A 72 106.737 -7.869 0.261 1.00 0.00 N ATOM 1143 CZ ARG A 72 106.717 -8.347 1.501 1.00 0.00 C ATOM 1144 NH1 ARG A 72 107.509 -7.843 2.408 1.00 0.00 N ATOM 1145 NH2 ARG A 72 105.904 -9.319 1.812 1.00 0.00 N ATOM 0 H ARG A 72 102.247 -8.002 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 72 102.106 -5.139 0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.937 -6.221 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 72 104.230 -4.955 -0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.084 -6.895 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.318 -7.967 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 72 106.324 -6.302 -1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.208 -5.872 0.624 1.00 0.00 H new ATOM 0 HE ARG A 72 107.279 -8.354 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 72 108.143 -7.082 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.493 -8.210 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.284 -9.712 1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 72 105.888 -9.686 2.764 1.00 0.00 H new ATOM 1159 N GLU A 73 101.313 -6.534 -2.838 1.00 0.00 N ATOM 1160 CA GLU A 73 100.586 -6.310 -4.087 1.00 0.00 C ATOM 1161 C GLU A 73 99.144 -6.804 -3.973 1.00 0.00 C ATOM 1162 O GLU A 73 98.831 -7.936 -4.348 1.00 0.00 O ATOM 1163 CB GLU A 73 101.291 -7.021 -5.256 1.00 0.00 C ATOM 1164 CG GLU A 73 102.600 -7.662 -4.778 1.00 0.00 C ATOM 1165 CD GLU A 73 103.266 -8.407 -5.934 1.00 0.00 C ATOM 1166 OE1 GLU A 73 102.944 -9.568 -6.127 1.00 0.00 O ATOM 1167 OE2 GLU A 73 104.086 -7.804 -6.609 1.00 0.00 O ATOM 0 H GLU A 73 101.644 -7.490 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 73 100.573 -5.237 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.636 -7.785 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 73 101.498 -6.307 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 73 103.272 -6.895 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.400 -8.351 -3.957 1.00 0.00 H new ATOM 1174 N SER A 74 98.270 -5.947 -3.447 1.00 0.00 N ATOM 1175 CA SER A 74 96.861 -6.300 -3.282 1.00 0.00 C ATOM 1176 C SER A 74 95.964 -5.194 -3.831 1.00 0.00 C ATOM 1177 O SER A 74 96.343 -4.022 -3.835 1.00 0.00 O ATOM 1178 CB SER A 74 96.548 -6.526 -1.803 1.00 0.00 C ATOM 1179 OG SER A 74 97.267 -7.663 -1.342 1.00 0.00 O ATOM 0 H SER A 74 98.511 -5.008 -3.129 1.00 0.00 H new ATOM 0 HA SER A 74 96.669 -7.218 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.824 -5.646 -1.222 1.00 0.00 H new ATOM 0 HB3 SER A 74 95.477 -6.677 -1.664 1.00 0.00 H new ATOM 0 HG SER A 74 96.699 -8.187 -0.739 1.00 0.00 H new ATOM 1185 N THR A 75 94.774 -5.578 -4.290 1.00 0.00 N ATOM 1186 CA THR A 75 93.822 -4.617 -4.843 1.00 0.00 C ATOM 1187 C THR A 75 92.777 -4.234 -3.796 1.00 0.00 C ATOM 1188 O THR A 75 91.792 -4.945 -3.594 1.00 0.00 O ATOM 1189 CB THR A 75 93.128 -5.216 -6.072 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.109 -5.750 -6.952 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.330 -4.130 -6.798 1.00 0.00 C ATOM 0 H THR A 75 94.447 -6.544 -4.290 1.00 0.00 H new ATOM 0 HA THR A 75 94.367 -3.720 -5.138 1.00 0.00 H new ATOM 0 HB THR A 75 92.449 -6.007 -5.754 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.668 -6.135 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.839 -4.561 -7.670 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.578 -3.719 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.004 -3.335 -7.117 1.00 0.00 H new ATOM 1199 N LEU A 76 93.010 -3.108 -3.129 1.00 0.00 N ATOM 1200 CA LEU A 76 92.098 -2.628 -2.097 1.00 0.00 C ATOM 1201 C LEU A 76 90.939 -1.846 -2.716 1.00 0.00 C ATOM 1202 O LEU A 76 91.071 -0.660 -3.020 1.00 0.00 O ATOM 1203 CB LEU A 76 92.859 -1.729 -1.114 1.00 0.00 C ATOM 1204 CG LEU A 76 93.323 -2.555 0.092 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.586 -3.338 -0.276 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.627 -1.618 1.268 1.00 0.00 C ATOM 0 H LEU A 76 93.822 -2.511 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 76 91.691 -3.490 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.718 -1.278 -1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.218 -0.912 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 76 92.535 -3.252 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.914 -3.924 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 76 94.370 -4.006 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.375 -2.642 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.957 -2.205 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.413 -0.919 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.727 -1.063 1.533 1.00 0.00 H new ATOM 1218 N HIS A 77 89.800 -2.515 -2.889 1.00 0.00 N ATOM 1219 CA HIS A 77 88.623 -1.867 -3.460 1.00 0.00 C ATOM 1220 C HIS A 77 88.164 -0.729 -2.552 1.00 0.00 C ATOM 1221 O HIS A 77 87.672 -0.964 -1.444 1.00 0.00 O ATOM 1222 CB HIS A 77 87.492 -2.884 -3.633 1.00 0.00 C ATOM 1223 CG HIS A 77 87.839 -3.842 -4.741 1.00 0.00 C ATOM 1224 ND1 HIS A 77 88.059 -5.190 -4.510 1.00 0.00 N ATOM 1225 CD2 HIS A 77 88.007 -3.662 -6.092 1.00 0.00 C ATOM 1226 CE1 HIS A 77 88.343 -5.765 -5.693 1.00 0.00 C ATOM 1227 NE2 HIS A 77 88.325 -4.877 -6.691 1.00 0.00 N ATOM 0 H HIS A 77 89.669 -3.496 -2.644 1.00 0.00 H new ATOM 0 HA HIS A 77 88.884 -1.461 -4.437 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.335 -3.430 -2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.559 -2.370 -3.862 1.00 0.00 H new ATOM 0 HD1 HIS A 77 88.014 -5.661 -3.607 1.00 0.00 H new ATOM 0 HD2 HIS A 77 87.907 -2.720 -6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 77 88.559 -6.816 -5.820 1.00 0.00 H new ATOM 1235 N LEU A 78 88.337 0.503 -3.025 1.00 0.00 N ATOM 1236 CA LEU A 78 87.955 1.678 -2.251 1.00 0.00 C ATOM 1237 C LEU A 78 86.698 2.327 -2.831 1.00 0.00 C ATOM 1238 O LEU A 78 86.549 2.439 -4.047 1.00 0.00 O ATOM 1239 CB LEU A 78 89.112 2.685 -2.267 1.00 0.00 C ATOM 1240 CG LEU A 78 88.730 3.947 -1.485 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.910 4.389 -0.617 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.372 5.069 -2.464 1.00 0.00 C ATOM 0 H LEU A 78 88.739 0.712 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 78 87.739 1.372 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.002 2.233 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.360 2.947 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 78 87.871 3.731 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.637 5.286 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.165 3.593 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.769 4.603 -1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.101 5.965 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.230 5.284 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.530 4.758 -3.082 1.00 0.00 H new ATOM 1254 N VAL A 79 85.804 2.756 -1.943 1.00 0.00 N ATOM 1255 CA VAL A 79 84.563 3.403 -2.357 1.00 0.00 C ATOM 1256 C VAL A 79 84.743 4.923 -2.360 1.00 0.00 C ATOM 1257 O VAL A 79 85.420 5.475 -1.492 1.00 0.00 O ATOM 1258 CB VAL A 79 83.427 2.985 -1.404 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.950 4.180 -0.569 1.00 0.00 C ATOM 1260 CG2 VAL A 79 82.254 2.438 -2.221 1.00 0.00 C ATOM 0 H VAL A 79 85.916 2.667 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 79 84.304 3.090 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 79 83.804 2.216 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.148 3.862 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.781 4.565 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.582 4.963 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 79 81.449 2.142 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 79 81.893 3.210 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 79 82.583 1.573 -2.796 1.00 0.00 H new ATOM 1270 N LEU A 80 84.136 5.586 -3.343 1.00 0.00 N ATOM 1271 CA LEU A 80 84.237 7.040 -3.454 1.00 0.00 C ATOM 1272 C LEU A 80 82.856 7.681 -3.354 1.00 0.00 C ATOM 1273 O LEU A 80 81.992 7.456 -4.203 1.00 0.00 O ATOM 1274 CB LEU A 80 84.890 7.418 -4.792 1.00 0.00 C ATOM 1275 CG LEU A 80 85.927 8.531 -4.584 1.00 0.00 C ATOM 1276 CD1 LEU A 80 85.259 9.757 -3.953 1.00 0.00 C ATOM 1277 CD2 LEU A 80 87.050 8.029 -3.668 1.00 0.00 C ATOM 0 H LEU A 80 83.573 5.143 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 80 84.854 7.409 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.369 6.543 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.127 7.750 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 80 86.347 8.810 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 80 86.001 10.542 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 80 84.470 10.120 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.830 9.482 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.783 8.822 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.632 7.741 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 80 87.534 7.166 -4.125 1.00 0.00 H new ATOM 1289 N ARG A 81 82.655 8.480 -2.309 1.00 0.00 N ATOM 1290 CA ARG A 81 81.377 9.155 -2.097 1.00 0.00 C ATOM 1291 C ARG A 81 81.296 10.428 -2.939 1.00 0.00 C ATOM 1292 O ARG A 81 81.979 10.549 -3.959 1.00 0.00 O ATOM 1293 CB ARG A 81 81.217 9.497 -0.611 1.00 0.00 C ATOM 1294 CG ARG A 81 79.768 9.267 -0.174 1.00 0.00 C ATOM 1295 CD ARG A 81 79.335 10.376 0.792 1.00 0.00 C ATOM 1296 NE ARG A 81 80.312 10.529 1.867 1.00 0.00 N ATOM 1297 CZ ARG A 81 80.536 9.551 2.740 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.682 9.325 3.701 1.00 0.00 N ATOM 1299 NH2 ARG A 81 81.611 8.818 2.637 1.00 0.00 N ATOM 0 H ARG A 81 83.359 8.676 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 81 80.571 8.488 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 81 81.888 8.880 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 81 81.498 10.536 -0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.113 9.255 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 81 79.674 8.294 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 81 79.230 11.317 0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 81 78.357 10.139 1.212 1.00 0.00 H new ATOM 0 HE ARG A 81 80.832 11.402 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 81 78.842 9.899 3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 81 79.854 8.575 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 81 82.279 8.995 1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 81 81.783 8.068 3.307 1.00 0.00 H new ATOM 1422 N ALA A 91 78.132 6.734 -8.148 1.00 0.00 N ATOM 1423 CA ALA A 91 78.254 6.948 -6.708 1.00 0.00 C ATOM 1424 C ALA A 91 77.347 8.096 -6.280 1.00 0.00 C ATOM 1425 O ALA A 91 77.626 9.256 -6.578 1.00 0.00 O ATOM 1426 CB ALA A 91 79.704 7.280 -6.342 1.00 0.00 C ATOM 0 HA ALA A 91 77.957 6.035 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 91 79.781 7.437 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.352 6.454 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.013 8.186 -6.864 1.00 0.00 H new ATOM 1432 N ASP A 92 76.257 7.768 -5.593 1.00 0.00 N ATOM 1433 CA ASP A 92 75.312 8.790 -5.148 1.00 0.00 C ATOM 1434 C ASP A 92 75.141 8.753 -3.633 1.00 0.00 C ATOM 1435 O ASP A 92 74.022 8.842 -3.123 1.00 0.00 O ATOM 1436 CB ASP A 92 73.958 8.580 -5.831 1.00 0.00 C ATOM 1437 CG ASP A 92 74.108 8.698 -7.348 1.00 0.00 C ATOM 1438 OD1 ASP A 92 74.811 7.881 -7.922 1.00 0.00 O ATOM 1439 OD2 ASP A 92 73.520 9.605 -7.913 1.00 0.00 O ATOM 0 H ASP A 92 76.007 6.814 -5.334 1.00 0.00 H new ATOM 0 HA ASP A 92 75.709 9.767 -5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 92 73.561 7.598 -5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 92 73.242 9.319 -5.470 1.00 0.00 H new ATOM 1444 N GLU A 93 76.260 8.637 -2.919 1.00 0.00 N ATOM 1445 CA GLU A 93 76.234 8.604 -1.459 1.00 0.00 C ATOM 1446 C GLU A 93 75.185 7.609 -0.964 1.00 0.00 C ATOM 1447 O GLU A 93 74.162 8.005 -0.405 1.00 0.00 O ATOM 1448 CB GLU A 93 75.922 10.004 -0.908 1.00 0.00 C ATOM 1449 CG GLU A 93 76.877 11.040 -1.519 1.00 0.00 C ATOM 1450 CD GLU A 93 76.506 11.319 -2.974 1.00 0.00 C ATOM 1451 OE1 GLU A 93 75.421 11.828 -3.205 1.00 0.00 O ATOM 1452 OE2 GLU A 93 77.315 11.020 -3.839 1.00 0.00 O ATOM 0 H GLU A 93 77.192 8.565 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 93 77.214 8.286 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 93 74.890 10.271 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 93 76.019 10.005 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 93 76.836 11.965 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.903 10.675 -1.463 1.00 0.00 H new ATOM 1459 N GLU A 94 75.465 6.321 -1.173 1.00 0.00 N ATOM 1460 CA GLU A 94 74.573 5.230 -0.760 1.00 0.00 C ATOM 1461 C GLU A 94 74.769 4.043 -1.697 1.00 0.00 C ATOM 1462 O GLU A 94 75.366 3.031 -1.328 1.00 0.00 O ATOM 1463 CB GLU A 94 73.096 5.658 -0.798 1.00 0.00 C ATOM 1464 CG GLU A 94 72.618 5.991 0.621 1.00 0.00 C ATOM 1465 CD GLU A 94 71.460 6.985 0.568 1.00 0.00 C ATOM 1466 OE1 GLU A 94 70.403 6.608 0.090 1.00 0.00 O ATOM 1467 OE2 GLU A 94 71.648 8.109 1.003 1.00 0.00 O ATOM 0 H GLU A 94 76.317 6.002 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 94 74.823 4.959 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 94 72.975 6.526 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 94 72.486 4.859 -1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.302 5.080 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 94 73.440 6.410 1.201 1.00 0.00 H new ATOM 1474 N GLU A 95 74.256 4.190 -2.913 1.00 0.00 N ATOM 1475 CA GLU A 95 74.363 3.149 -3.931 1.00 0.00 C ATOM 1476 C GLU A 95 75.824 2.862 -4.278 1.00 0.00 C ATOM 1477 O GLU A 95 76.119 1.906 -4.990 1.00 0.00 O ATOM 1478 CB GLU A 95 73.611 3.578 -5.196 1.00 0.00 C ATOM 1479 CG GLU A 95 74.014 5.005 -5.578 1.00 0.00 C ATOM 1480 CD GLU A 95 73.562 5.315 -7.002 1.00 0.00 C ATOM 1481 OE1 GLU A 95 74.300 4.994 -7.920 1.00 0.00 O ATOM 1482 OE2 GLU A 95 72.486 5.870 -7.155 1.00 0.00 O ATOM 0 H GLU A 95 73.758 5.026 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 95 73.920 2.238 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 95 73.837 2.895 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.536 3.527 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 95 73.566 5.716 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.095 5.119 -5.498 1.00 0.00 H new ATOM 1489 N LEU A 96 76.733 3.697 -3.772 1.00 0.00 N ATOM 1490 CA LEU A 96 78.162 3.526 -4.037 1.00 0.00 C ATOM 1491 C LEU A 96 78.713 2.278 -3.339 1.00 0.00 C ATOM 1492 O LEU A 96 79.799 1.806 -3.674 1.00 0.00 O ATOM 1493 CB LEU A 96 78.931 4.781 -3.582 1.00 0.00 C ATOM 1494 CG LEU A 96 79.414 4.642 -2.129 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.343 5.809 -1.793 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.216 4.667 -1.174 1.00 0.00 C ATOM 0 H LEU A 96 76.506 4.495 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 96 78.298 3.391 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 96 79.786 4.944 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.288 5.657 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 96 79.945 3.696 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.688 5.715 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.201 5.797 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.804 6.749 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.567 4.568 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.682 5.610 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.546 3.840 -1.409 1.00 0.00 H new ATOM 1508 N ILE A 97 77.965 1.750 -2.371 1.00 0.00 N ATOM 1509 CA ILE A 97 78.405 0.560 -1.642 1.00 0.00 C ATOM 1510 C ILE A 97 77.806 -0.706 -2.253 1.00 0.00 C ATOM 1511 O ILE A 97 78.531 -1.650 -2.569 1.00 0.00 O ATOM 1512 CB ILE A 97 78.021 0.677 -0.157 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.143 1.406 0.597 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.824 -0.718 0.454 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.546 2.285 1.700 1.00 0.00 C ATOM 0 H ILE A 97 77.062 2.121 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 97 79.490 0.490 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 97 77.088 1.235 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.832 0.681 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.720 2.019 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.553 -0.620 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.029 -1.240 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.750 -1.286 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.348 2.799 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.875 3.021 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.989 1.662 2.400 1.00 0.00 H new ATOM 1527 N ARG A 98 76.484 -0.723 -2.420 1.00 0.00 N ATOM 1528 CA ARG A 98 75.816 -1.887 -2.995 1.00 0.00 C ATOM 1529 C ARG A 98 76.318 -2.145 -4.413 1.00 0.00 C ATOM 1530 O ARG A 98 76.451 -3.294 -4.836 1.00 0.00 O ATOM 1531 CB ARG A 98 74.296 -1.677 -3.010 1.00 0.00 C ATOM 1532 CG ARG A 98 73.934 -0.515 -3.941 1.00 0.00 C ATOM 1533 CD ARG A 98 72.552 0.031 -3.567 1.00 0.00 C ATOM 1534 NE ARG A 98 71.569 -1.047 -3.542 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.637 -1.154 -4.486 1.00 0.00 C ATOM 1536 NH1 ARG A 98 69.525 -0.477 -4.384 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.834 -1.936 -5.513 1.00 0.00 N ATOM 0 H ARG A 98 75.862 0.046 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 98 76.047 -2.754 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.798 -2.588 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG A 98 73.940 -1.469 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.682 0.274 -3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 98 73.935 -0.852 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.597 0.514 -2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.248 0.792 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 98 71.597 -1.732 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 98 69.371 0.133 -3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 98 68.810 -0.558 -5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 98 71.702 -2.465 -5.592 1.00 0.00 H new ATOM 0 HH22 ARG A 98 70.119 -2.018 -6.236 1.00 0.00 H new ATOM 1551 N LYS A 99 76.608 -1.067 -5.135 1.00 0.00 N ATOM 1552 CA LYS A 99 77.107 -1.187 -6.499 1.00 0.00 C ATOM 1553 C LYS A 99 78.577 -1.599 -6.492 1.00 0.00 C ATOM 1554 O LYS A 99 79.031 -2.308 -7.388 1.00 0.00 O ATOM 1555 CB LYS A 99 76.931 0.143 -7.248 1.00 0.00 C ATOM 1556 CG LYS A 99 78.101 1.085 -6.942 1.00 0.00 C ATOM 1557 CD LYS A 99 77.970 2.355 -7.787 1.00 0.00 C ATOM 1558 CE LYS A 99 78.612 2.124 -9.157 1.00 0.00 C ATOM 1559 NZ LYS A 99 80.084 2.318 -9.051 1.00 0.00 N ATOM 0 H LYS A 99 76.507 -0.108 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 99 76.532 -1.957 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.874 -0.041 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.992 0.612 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.109 1.340 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 99 79.047 0.588 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.919 2.619 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.454 3.192 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.391 1.116 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 99 78.194 2.816 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 80.534 2.063 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 80.288 3.314 -8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 80.460 1.713 -8.294 1.00 0.00 H new ATOM 1573 N ALA A 100 79.304 -1.177 -5.456 1.00 0.00 N ATOM 1574 CA ALA A 100 80.717 -1.525 -5.321 1.00 0.00 C ATOM 1575 C ALA A 100 80.852 -3.012 -5.040 1.00 0.00 C ATOM 1576 O ALA A 100 81.834 -3.645 -5.425 1.00 0.00 O ATOM 1577 CB ALA A 100 81.350 -0.725 -4.179 1.00 0.00 C ATOM 0 H ALA A 100 78.938 -0.596 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 100 81.232 -1.283 -6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.403 -0.992 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.263 0.341 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.835 -0.953 -3.246 1.00 0.00 H new ATOM 1583 N ILE A 101 79.842 -3.558 -4.376 1.00 0.00 N ATOM 1584 CA ILE A 101 79.821 -4.973 -4.049 1.00 0.00 C ATOM 1585 C ILE A 101 79.375 -5.790 -5.261 1.00 0.00 C ATOM 1586 O ILE A 101 79.734 -6.960 -5.400 1.00 0.00 O ATOM 1587 CB ILE A 101 78.855 -5.213 -2.884 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.429 -4.571 -1.614 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.670 -6.720 -2.664 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.290 -4.172 -0.673 1.00 0.00 C ATOM 0 H ILE A 101 79.025 -3.039 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 101 80.825 -5.286 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 101 77.887 -4.767 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.098 -5.270 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.021 -3.694 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.982 -6.885 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.263 -7.172 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.633 -7.175 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.704 -3.717 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.638 -3.457 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.716 -5.058 -0.400 1.00 0.00 H new ATOM 1602 N GLU A 102 78.557 -5.172 -6.109 1.00 0.00 N ATOM 1603 CA GLU A 102 78.015 -5.854 -7.283 1.00 0.00 C ATOM 1604 C GLU A 102 78.848 -5.662 -8.556 1.00 0.00 C ATOM 1605 O GLU A 102 78.599 -6.346 -9.547 1.00 0.00 O ATOM 1606 CB GLU A 102 76.592 -5.352 -7.542 1.00 0.00 C ATOM 1607 CG GLU A 102 75.579 -6.401 -7.071 1.00 0.00 C ATOM 1608 CD GLU A 102 75.819 -6.738 -5.601 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.478 -5.922 -4.761 1.00 0.00 O ATOM 1610 OE2 GLU A 102 76.342 -7.810 -5.336 1.00 0.00 O ATOM 0 H GLU A 102 78.255 -4.203 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 102 78.033 -6.920 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.427 -4.412 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.455 -5.152 -8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.565 -6.025 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.668 -7.302 -7.678 1.00 0.00 H new ATOM 1617 N LEU A 103 79.805 -4.735 -8.566 1.00 0.00 N ATOM 1618 CA LEU A 103 80.585 -4.529 -9.791 1.00 0.00 C ATOM 1619 C LEU A 103 81.931 -5.271 -9.789 1.00 0.00 C ATOM 1620 O LEU A 103 82.116 -6.217 -10.556 1.00 0.00 O ATOM 1621 CB LEU A 103 80.774 -3.031 -10.102 1.00 0.00 C ATOM 1622 CG LEU A 103 81.428 -2.273 -8.939 1.00 0.00 C ATOM 1623 CD1 LEU A 103 82.933 -2.118 -9.194 1.00 0.00 C ATOM 1624 CD2 LEU A 103 80.795 -0.879 -8.846 1.00 0.00 C ATOM 0 H LEU A 103 80.054 -4.137 -7.778 1.00 0.00 H new ATOM 0 HA LEU A 103 79.995 -4.970 -10.594 1.00 0.00 H new ATOM 0 HB2 LEU A 103 81.389 -2.922 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 103 79.806 -2.584 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 103 81.276 -2.827 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 103 83.389 -1.579 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 103 83.391 -3.103 -9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 103 83.090 -1.561 -10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 103 81.250 -0.327 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 103 80.961 -0.341 -9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 103 79.724 -0.977 -8.669 1.00 0.00 H new ATOM 1636 N SER A 104 82.876 -4.825 -8.965 1.00 0.00 N ATOM 1637 CA SER A 104 84.208 -5.437 -8.923 1.00 0.00 C ATOM 1638 C SER A 104 84.363 -6.411 -7.762 1.00 0.00 C ATOM 1639 O SER A 104 85.373 -7.113 -7.667 1.00 0.00 O ATOM 1640 CB SER A 104 85.274 -4.345 -8.811 1.00 0.00 C ATOM 1641 OG SER A 104 86.566 -4.932 -8.907 1.00 0.00 O ATOM 0 H SER A 104 82.748 -4.046 -8.319 1.00 0.00 H new ATOM 0 HA SER A 104 84.334 -6.000 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 104 85.138 -3.607 -9.602 1.00 0.00 H new ATOM 0 HB3 SER A 104 85.172 -3.818 -7.862 1.00 0.00 H new ATOM 0 HG SER A 104 86.989 -4.937 -8.023 1.00 0.00 H new ATOM 1647 N LEU A 105 83.394 -6.425 -6.859 1.00 0.00 N ATOM 1648 CA LEU A 105 83.475 -7.284 -5.688 1.00 0.00 C ATOM 1649 C LEU A 105 82.795 -8.630 -5.916 1.00 0.00 C ATOM 1650 O LEU A 105 83.347 -9.673 -5.566 1.00 0.00 O ATOM 1651 CB LEU A 105 82.819 -6.565 -4.515 1.00 0.00 C ATOM 1652 CG LEU A 105 83.873 -5.806 -3.701 1.00 0.00 C ATOM 1653 CD1 LEU A 105 84.819 -6.797 -3.021 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.679 -4.887 -4.627 1.00 0.00 C ATOM 0 H LEU A 105 82.549 -5.856 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 105 84.526 -7.487 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.063 -5.871 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.307 -7.286 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 105 83.371 -5.207 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.565 -6.250 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.249 -7.445 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.317 -7.402 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.427 -4.349 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.175 -5.485 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.008 -4.172 -5.104 1.00 0.00 H new