USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 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 16 THR OG1 : rot 116:sc= 0.724 USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= 0.375 USER MOD Single : A 11 GLN : amide:sc= -0.746 K(o=-0.75,f=-4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.116 (180deg=-0.709) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.715 K(o=-0.72,f=-0.1) USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= 0.99 (180deg=0.561) USER MOD Single : A 37 SER OG : rot 170:sc= -0.338 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.93) USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 0.0491 (180deg=-0.354) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -2.72 X(o=-2.7,f=-2.3) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= -0.139 (180deg=-0.214) USER MOD Single : A 58 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.46) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 66 SER OG : rot 170:sc= -0.051 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 71 GLN : amide:sc= -3.09! K(o=-3.1!,f=0.18) USER MOD Single : A 74 SER OG : rot 150:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -1.98! C(o=-2!,f=-1.9!) USER MOD Single : A 99 LYS NZ :NH3+ 158:sc= -0.98 (180deg=-1.79!) USER MOD Single : A 104 SER OG : rot 180:sc= -1.02! USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 103.789 -1.848 -0.402 1.00 0.00 N ATOM 165 CA GLN A 11 102.707 -0.988 -0.877 1.00 0.00 C ATOM 166 C GLN A 11 101.480 -1.820 -1.238 1.00 0.00 C ATOM 167 O GLN A 11 101.522 -3.050 -1.214 1.00 0.00 O ATOM 168 CB GLN A 11 103.168 -0.207 -2.113 1.00 0.00 C ATOM 169 CG GLN A 11 103.916 1.057 -1.684 1.00 0.00 C ATOM 170 CD GLN A 11 105.073 0.695 -0.756 1.00 0.00 C ATOM 171 OE1 GLN A 11 105.079 1.084 0.412 1.00 0.00 O ATOM 172 NE2 GLN A 11 106.057 -0.035 -1.208 1.00 0.00 N ATOM 0 HA GLN A 11 102.444 -0.294 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.816 -0.832 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.308 0.060 -2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.294 1.580 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.233 1.738 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 11 106.051 -0.357 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.832 -0.284 -0.593 1.00 0.00 H new ATOM 181 N ILE A 12 100.396 -1.134 -1.587 1.00 0.00 N ATOM 182 CA ILE A 12 99.160 -1.812 -1.971 1.00 0.00 C ATOM 183 C ILE A 12 98.488 -1.065 -3.118 1.00 0.00 C ATOM 184 O ILE A 12 98.852 0.071 -3.426 1.00 0.00 O ATOM 185 CB ILE A 12 98.197 -1.905 -0.779 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.827 -0.496 -0.300 1.00 0.00 C ATOM 187 CG2 ILE A 12 98.865 -2.678 0.364 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.543 -0.557 0.533 1.00 0.00 C ATOM 0 H ILE A 12 100.347 -0.116 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 12 99.411 -2.822 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 12 97.292 -2.428 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.639 -0.078 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.686 0.165 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.179 -2.743 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.118 -3.682 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.773 -2.159 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.282 0.445 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.732 -0.957 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.700 -1.203 1.397 1.00 0.00 H new ATOM 200 N PHE A 13 97.505 -1.709 -3.740 1.00 0.00 N ATOM 201 CA PHE A 13 96.784 -1.096 -4.849 1.00 0.00 C ATOM 202 C PHE A 13 95.343 -0.817 -4.454 1.00 0.00 C ATOM 203 O PHE A 13 94.624 -1.718 -4.032 1.00 0.00 O ATOM 204 CB PHE A 13 96.815 -2.016 -6.072 1.00 0.00 C ATOM 205 CG PHE A 13 98.066 -1.748 -6.877 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.294 -2.286 -6.467 1.00 0.00 C ATOM 207 CD2 PHE A 13 97.999 -0.962 -8.033 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.450 -2.037 -7.215 1.00 0.00 C ATOM 209 CE2 PHE A 13 99.156 -0.713 -8.780 1.00 0.00 C ATOM 210 CZ PHE A 13 100.382 -1.251 -8.371 1.00 0.00 C ATOM 0 H PHE A 13 97.191 -2.649 -3.497 1.00 0.00 H new ATOM 0 HA PHE A 13 97.271 -0.153 -5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.790 -3.059 -5.756 1.00 0.00 H new ATOM 0 HB3 PHE A 13 95.931 -1.849 -6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 13 99.348 -2.892 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.053 -0.547 -8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.396 -2.452 -6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 13 99.103 -0.106 -9.672 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.275 -1.060 -8.947 1.00 0.00 H new ATOM 220 N ALA A 14 94.931 0.437 -4.605 1.00 0.00 N ATOM 221 CA ALA A 14 93.570 0.838 -4.273 1.00 0.00 C ATOM 222 C ALA A 14 92.847 1.307 -5.530 1.00 0.00 C ATOM 223 O ALA A 14 93.369 2.131 -6.282 1.00 0.00 O ATOM 224 CB ALA A 14 93.595 1.968 -3.240 1.00 0.00 C ATOM 0 H ALA A 14 95.520 1.193 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 14 93.041 -0.018 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.574 2.262 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.098 1.624 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.131 2.824 -3.650 1.00 0.00 H new ATOM 230 N LYS A 15 91.648 0.778 -5.753 1.00 0.00 N ATOM 231 CA LYS A 15 90.870 1.153 -6.927 1.00 0.00 C ATOM 232 C LYS A 15 89.574 1.843 -6.522 1.00 0.00 C ATOM 233 O LYS A 15 88.720 1.249 -5.865 1.00 0.00 O ATOM 234 CB LYS A 15 90.547 -0.084 -7.769 1.00 0.00 C ATOM 235 CG LYS A 15 90.107 0.362 -9.170 1.00 0.00 C ATOM 236 CD LYS A 15 91.004 -0.290 -10.228 1.00 0.00 C ATOM 237 CE LYS A 15 90.511 -1.710 -10.524 1.00 0.00 C ATOM 238 NZ LYS A 15 90.946 -2.110 -11.893 1.00 0.00 N ATOM 0 H LYS A 15 91.198 0.095 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 15 91.468 1.847 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.422 -0.731 -7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 15 89.757 -0.666 -7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.067 0.084 -9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.164 1.448 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 15 90.996 0.305 -11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.035 -0.319 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 15 90.909 -2.406 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 15 89.424 -1.753 -10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 90.612 -3.074 -12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 90.546 -1.451 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 91.984 -2.084 -11.949 1.00 0.00 H new ATOM 252 N THR A 16 89.437 3.101 -6.925 1.00 0.00 N ATOM 253 CA THR A 16 88.240 3.868 -6.605 1.00 0.00 C ATOM 254 C THR A 16 87.025 3.278 -7.315 1.00 0.00 C ATOM 255 O THR A 16 87.166 2.496 -8.256 1.00 0.00 O ATOM 256 CB THR A 16 88.422 5.327 -7.028 1.00 0.00 C ATOM 257 OG1 THR A 16 88.615 5.392 -8.433 1.00 0.00 O ATOM 258 CG2 THR A 16 89.638 5.923 -6.313 1.00 0.00 C ATOM 0 H THR A 16 90.134 3.608 -7.470 1.00 0.00 H new ATOM 0 HA THR A 16 88.079 3.822 -5.528 1.00 0.00 H new ATOM 0 HB THR A 16 87.532 5.896 -6.758 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.872 5.882 -8.843 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.765 6.962 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.485 5.876 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.530 5.356 -6.578 1.00 0.00 H new ATOM 266 N LEU A 17 85.835 3.664 -6.861 1.00 0.00 N ATOM 267 CA LEU A 17 84.599 3.174 -7.463 1.00 0.00 C ATOM 268 C LEU A 17 84.597 3.466 -8.961 1.00 0.00 C ATOM 269 O LEU A 17 84.267 2.602 -9.774 1.00 0.00 O ATOM 270 CB LEU A 17 83.395 3.854 -6.791 1.00 0.00 C ATOM 271 CG LEU A 17 82.068 3.276 -7.310 1.00 0.00 C ATOM 272 CD1 LEU A 17 81.772 3.806 -8.718 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.136 1.745 -7.337 1.00 0.00 C ATOM 0 H LEU A 17 85.701 4.310 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 17 84.530 2.096 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.455 3.721 -5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.427 4.927 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 17 81.267 3.587 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 17 80.830 3.389 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 17 81.700 4.893 -8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.576 3.513 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.191 1.345 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 17 82.946 1.428 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.319 1.371 -6.330 1.00 0.00 H new ATOM 285 N THR A 18 84.971 4.693 -9.311 1.00 0.00 N ATOM 286 CA THR A 18 85.015 5.109 -10.710 1.00 0.00 C ATOM 287 C THR A 18 85.993 4.246 -11.505 1.00 0.00 C ATOM 288 O THR A 18 85.883 4.138 -12.727 1.00 0.00 O ATOM 289 CB THR A 18 85.424 6.582 -10.798 1.00 0.00 C ATOM 290 OG1 THR A 18 86.766 6.729 -10.349 1.00 0.00 O ATOM 291 CG2 THR A 18 84.493 7.425 -9.920 1.00 0.00 C ATOM 0 H THR A 18 85.248 5.416 -8.647 1.00 0.00 H new ATOM 0 HA THR A 18 84.022 4.982 -11.140 1.00 0.00 H new ATOM 0 HB THR A 18 85.349 6.919 -11.832 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.029 7.671 -10.407 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.784 8.473 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.466 7.312 -10.266 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.566 7.089 -8.885 1.00 0.00 H new ATOM 299 N GLY A 19 86.940 3.626 -10.804 1.00 0.00 N ATOM 300 CA GLY A 19 87.925 2.764 -11.454 1.00 0.00 C ATOM 301 C GLY A 19 89.261 3.476 -11.644 1.00 0.00 C ATOM 302 O GLY A 19 89.852 3.419 -12.722 1.00 0.00 O ATOM 0 H GLY A 19 87.046 3.703 -9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.074 1.865 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.543 2.442 -12.423 1.00 0.00 H new ATOM 306 N LYS A 20 89.739 4.132 -10.588 1.00 0.00 N ATOM 307 CA LYS A 20 91.017 4.839 -10.645 1.00 0.00 C ATOM 308 C LYS A 20 92.081 4.046 -9.890 1.00 0.00 C ATOM 309 O LYS A 20 91.830 3.564 -8.787 1.00 0.00 O ATOM 310 CB LYS A 20 90.878 6.235 -10.031 1.00 0.00 C ATOM 311 CG LYS A 20 91.942 7.168 -10.621 1.00 0.00 C ATOM 312 CD LYS A 20 92.251 8.298 -9.631 1.00 0.00 C ATOM 313 CE LYS A 20 90.973 9.084 -9.318 1.00 0.00 C ATOM 314 NZ LYS A 20 90.308 9.489 -10.589 1.00 0.00 N ATOM 0 H LYS A 20 89.264 4.189 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 20 91.316 4.941 -11.688 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.882 6.632 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.990 6.179 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.850 6.606 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.590 7.585 -11.564 1.00 0.00 H new ATOM 0 HD2 LYS A 20 92.668 7.884 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.004 8.965 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 20 90.296 8.473 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 20 91.213 9.966 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 89.660 10.281 -10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 91.028 9.784 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 89.771 8.685 -10.972 1.00 0.00 H new ATOM 328 N THR A 21 93.263 3.913 -10.486 1.00 0.00 N ATOM 329 CA THR A 21 94.351 3.167 -9.853 1.00 0.00 C ATOM 330 C THR A 21 95.170 4.077 -8.942 1.00 0.00 C ATOM 331 O THR A 21 95.773 5.050 -9.400 1.00 0.00 O ATOM 332 CB THR A 21 95.261 2.548 -10.922 1.00 0.00 C ATOM 333 OG1 THR A 21 94.596 2.558 -12.179 1.00 0.00 O ATOM 334 CG2 THR A 21 95.601 1.107 -10.535 1.00 0.00 C ATOM 0 H THR A 21 93.493 4.307 -11.398 1.00 0.00 H new ATOM 0 HA THR A 21 93.914 2.371 -9.250 1.00 0.00 H new ATOM 0 HB THR A 21 96.180 3.130 -10.994 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.179 2.164 -12.861 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.247 0.669 -11.295 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.115 1.100 -9.574 1.00 0.00 H new ATOM 0 HG23 THR A 21 94.683 0.524 -10.460 1.00 0.00 H new ATOM 342 N ILE A 22 95.186 3.752 -7.650 1.00 0.00 N ATOM 343 CA ILE A 22 95.933 4.542 -6.673 1.00 0.00 C ATOM 344 C ILE A 22 96.761 3.632 -5.767 1.00 0.00 C ATOM 345 O ILE A 22 96.258 2.636 -5.249 1.00 0.00 O ATOM 346 CB ILE A 22 94.966 5.376 -5.824 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.062 6.207 -6.746 1.00 0.00 C ATOM 348 CG2 ILE A 22 95.764 6.311 -4.908 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.009 6.944 -5.913 1.00 0.00 C ATOM 0 H ILE A 22 94.692 2.951 -7.257 1.00 0.00 H new ATOM 0 HA ILE A 22 96.608 5.208 -7.211 1.00 0.00 H new ATOM 0 HB ILE A 22 94.351 4.712 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.661 6.923 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.575 5.558 -7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.076 6.904 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.404 5.720 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.380 6.975 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.370 7.532 -6.572 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.402 6.219 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.505 7.606 -5.203 1.00 0.00 H new ATOM 361 N THR A 23 98.032 3.986 -5.581 1.00 0.00 N ATOM 362 CA THR A 23 98.929 3.198 -4.735 1.00 0.00 C ATOM 363 C THR A 23 99.273 3.962 -3.459 1.00 0.00 C ATOM 364 O THR A 23 99.575 5.156 -3.502 1.00 0.00 O ATOM 365 CB THR A 23 100.218 2.867 -5.496 1.00 0.00 C ATOM 366 OG1 THR A 23 100.532 3.932 -6.382 1.00 0.00 O ATOM 367 CG2 THR A 23 100.027 1.574 -6.293 1.00 0.00 C ATOM 0 H THR A 23 98.463 4.809 -6.002 1.00 0.00 H new ATOM 0 HA THR A 23 98.419 2.273 -4.467 1.00 0.00 H new ATOM 0 HB THR A 23 101.034 2.734 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 23 101.357 3.721 -6.867 1.00 0.00 H new ATOM 0 HG21 THR A 23 100.945 1.341 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 23 99.790 0.758 -5.611 1.00 0.00 H new ATOM 0 HG23 THR A 23 99.210 1.702 -7.003 1.00 0.00 H new ATOM 375 N LEU A 24 99.225 3.262 -2.327 1.00 0.00 N ATOM 376 CA LEU A 24 99.535 3.877 -1.037 1.00 0.00 C ATOM 377 C LEU A 24 100.492 3.000 -0.233 1.00 0.00 C ATOM 378 O LEU A 24 100.392 1.769 -0.252 1.00 0.00 O ATOM 379 CB LEU A 24 98.250 4.119 -0.230 1.00 0.00 C ATOM 380 CG LEU A 24 97.166 3.114 -0.638 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.149 2.974 0.496 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.452 3.606 -1.905 1.00 0.00 C ATOM 0 H LEU A 24 98.976 2.274 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 24 100.017 4.835 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.459 4.026 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 24 97.894 5.136 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 24 97.628 2.147 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 24 95.378 2.260 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 24 96.653 2.620 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 24 95.690 3.943 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 24 95.683 2.889 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 24 95.991 4.574 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.175 3.705 -2.715 1.00 0.00 H new ATOM 394 N GLU A 25 101.427 3.646 0.466 1.00 0.00 N ATOM 395 CA GLU A 25 102.411 2.931 1.274 1.00 0.00 C ATOM 396 C GLU A 25 101.838 2.582 2.646 1.00 0.00 C ATOM 397 O GLU A 25 101.788 3.424 3.544 1.00 0.00 O ATOM 398 CB GLU A 25 103.669 3.791 1.449 1.00 0.00 C ATOM 399 CG GLU A 25 104.178 4.250 0.081 1.00 0.00 C ATOM 400 CD GLU A 25 105.568 4.864 0.218 1.00 0.00 C ATOM 401 OE1 GLU A 25 105.646 6.051 0.493 1.00 0.00 O ATOM 402 OE2 GLU A 25 106.535 4.139 0.048 1.00 0.00 O ATOM 0 H GLU A 25 101.522 4.661 0.488 1.00 0.00 H new ATOM 0 HA GLU A 25 102.669 2.006 0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 25 103.445 4.656 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.443 3.220 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 25 104.212 3.404 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 25 103.490 4.980 -0.346 1.00 0.00 H new ATOM 409 N VAL A 26 101.402 1.334 2.792 1.00 0.00 N ATOM 410 CA VAL A 26 100.827 0.874 4.055 1.00 0.00 C ATOM 411 C VAL A 26 101.494 -0.414 4.528 1.00 0.00 C ATOM 412 O VAL A 26 102.020 -1.187 3.725 1.00 0.00 O ATOM 413 CB VAL A 26 99.320 0.638 3.899 1.00 0.00 C ATOM 414 CG1 VAL A 26 98.647 1.910 3.377 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.082 -0.507 2.910 1.00 0.00 C ATOM 0 H VAL A 26 101.435 0.627 2.058 1.00 0.00 H new ATOM 0 HA VAL A 26 101.000 1.651 4.800 1.00 0.00 H new ATOM 0 HB VAL A 26 98.895 0.378 4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.576 1.737 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.813 2.725 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.072 2.175 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.011 -0.675 2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 26 99.511 -0.247 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.555 -1.415 3.284 1.00 0.00 H new ATOM 425 N GLU A 27 101.451 -0.638 5.837 1.00 0.00 N ATOM 426 CA GLU A 27 102.036 -1.841 6.424 1.00 0.00 C ATOM 427 C GLU A 27 101.118 -3.033 6.180 1.00 0.00 C ATOM 428 O GLU A 27 99.929 -2.860 5.922 1.00 0.00 O ATOM 429 CB GLU A 27 102.237 -1.650 7.931 1.00 0.00 C ATOM 430 CG GLU A 27 103.131 -0.431 8.185 1.00 0.00 C ATOM 431 CD GLU A 27 102.921 0.080 9.608 1.00 0.00 C ATOM 432 OE1 GLU A 27 103.591 -0.415 10.499 1.00 0.00 O ATOM 433 OE2 GLU A 27 102.092 0.958 9.787 1.00 0.00 O ATOM 0 H GLU A 27 101.019 -0.006 6.511 1.00 0.00 H new ATOM 0 HA GLU A 27 103.003 -2.025 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.273 -1.514 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.691 -2.542 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.177 -0.699 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 102.899 0.357 7.468 1.00 0.00 H new ATOM 440 N SER A 28 101.667 -4.240 6.268 1.00 0.00 N ATOM 441 CA SER A 28 100.869 -5.445 6.055 1.00 0.00 C ATOM 442 C SER A 28 99.810 -5.585 7.142 1.00 0.00 C ATOM 443 O SER A 28 98.822 -6.292 6.963 1.00 0.00 O ATOM 444 CB SER A 28 101.774 -6.679 6.054 1.00 0.00 C ATOM 445 OG SER A 28 102.216 -6.936 4.727 1.00 0.00 O ATOM 0 H SER A 28 102.649 -4.411 6.483 1.00 0.00 H new ATOM 0 HA SER A 28 100.371 -5.362 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 28 102.630 -6.517 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 28 101.233 -7.542 6.443 1.00 0.00 H new ATOM 0 HG SER A 28 102.797 -7.725 4.723 1.00 0.00 H new ATOM 451 N SER A 29 100.048 -4.940 8.280 1.00 0.00 N ATOM 452 CA SER A 29 99.134 -5.013 9.415 1.00 0.00 C ATOM 453 C SER A 29 98.505 -3.654 9.709 1.00 0.00 C ATOM 454 O SER A 29 97.765 -3.509 10.683 1.00 0.00 O ATOM 455 CB SER A 29 99.892 -5.496 10.653 1.00 0.00 C ATOM 456 OG SER A 29 100.884 -4.539 11.000 1.00 0.00 O ATOM 0 H SER A 29 100.870 -4.358 8.441 1.00 0.00 H new ATOM 0 HA SER A 29 98.338 -5.714 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 29 99.201 -5.638 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.356 -6.462 10.455 1.00 0.00 H new ATOM 0 HG SER A 29 101.370 -4.845 11.794 1.00 0.00 H new ATOM 462 N ASP A 30 98.802 -2.660 8.872 1.00 0.00 N ATOM 463 CA ASP A 30 98.255 -1.317 9.065 1.00 0.00 C ATOM 464 C ASP A 30 96.742 -1.370 9.263 1.00 0.00 C ATOM 465 O ASP A 30 96.091 -2.342 8.883 1.00 0.00 O ATOM 466 CB ASP A 30 98.581 -0.440 7.848 1.00 0.00 C ATOM 467 CG ASP A 30 99.283 0.846 8.286 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.867 1.421 9.279 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.224 1.238 7.618 1.00 0.00 O ATOM 0 H ASP A 30 99.413 -2.757 8.061 1.00 0.00 H new ATOM 0 HA ASP A 30 98.710 -0.888 9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.218 -0.991 7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.664 -0.196 7.312 1.00 0.00 H new ATOM 474 N THR A 31 96.187 -0.313 9.850 1.00 0.00 N ATOM 475 CA THR A 31 94.748 -0.249 10.085 1.00 0.00 C ATOM 476 C THR A 31 94.058 0.474 8.936 1.00 0.00 C ATOM 477 O THR A 31 94.672 1.293 8.252 1.00 0.00 O ATOM 478 CB THR A 31 94.454 0.479 11.402 1.00 0.00 C ATOM 479 OG1 THR A 31 94.680 1.873 11.233 1.00 0.00 O ATOM 480 CG2 THR A 31 95.369 -0.058 12.505 1.00 0.00 C ATOM 0 H THR A 31 96.707 0.504 10.169 1.00 0.00 H new ATOM 0 HA THR A 31 94.364 -1.267 10.149 1.00 0.00 H new ATOM 0 HB THR A 31 93.415 0.310 11.684 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.491 2.339 12.074 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.157 0.462 13.439 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.193 -1.126 12.636 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.410 0.107 12.227 1.00 0.00 H new ATOM 488 N ILE A 32 92.779 0.167 8.730 1.00 0.00 N ATOM 489 CA ILE A 32 92.014 0.795 7.658 1.00 0.00 C ATOM 490 C ILE A 32 92.170 2.313 7.714 1.00 0.00 C ATOM 491 O ILE A 32 92.398 2.957 6.690 1.00 0.00 O ATOM 492 CB ILE A 32 90.534 0.411 7.778 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.362 -1.090 7.492 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.701 1.219 6.777 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.933 -1.435 6.112 1.00 0.00 C ATOM 0 H ILE A 32 92.255 -0.508 9.287 1.00 0.00 H new ATOM 0 HA ILE A 32 92.396 0.442 6.700 1.00 0.00 H new ATOM 0 HB ILE A 32 90.193 0.630 8.790 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.869 -1.674 8.260 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.306 -1.357 7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.651 0.940 6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.814 2.283 6.985 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.045 1.009 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.805 -2.501 5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.407 -0.864 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 32 91.994 -1.186 6.085 1.00 0.00 H new ATOM 507 N ASP A 33 92.047 2.878 8.915 1.00 0.00 N ATOM 508 CA ASP A 33 92.180 4.322 9.091 1.00 0.00 C ATOM 509 C ASP A 33 93.441 4.833 8.397 1.00 0.00 C ATOM 510 O ASP A 33 93.415 5.869 7.731 1.00 0.00 O ATOM 511 CB ASP A 33 92.238 4.664 10.583 1.00 0.00 C ATOM 512 CG ASP A 33 91.697 6.072 10.818 1.00 0.00 C ATOM 513 OD1 ASP A 33 92.422 7.016 10.551 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.566 6.185 11.259 1.00 0.00 O ATOM 0 H ASP A 33 91.857 2.362 9.774 1.00 0.00 H new ATOM 0 HA ASP A 33 91.312 4.806 8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.654 3.941 11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.266 4.596 10.940 1.00 0.00 H new ATOM 519 N ASN A 34 94.537 4.092 8.549 1.00 0.00 N ATOM 520 CA ASN A 34 95.800 4.470 7.921 1.00 0.00 C ATOM 521 C ASN A 34 95.676 4.382 6.402 1.00 0.00 C ATOM 522 O ASN A 34 96.177 5.238 5.676 1.00 0.00 O ATOM 523 CB ASN A 34 96.923 3.547 8.401 1.00 0.00 C ATOM 524 CG ASN A 34 98.280 4.120 8.002 1.00 0.00 C ATOM 525 OD1 ASN A 34 99.015 4.627 8.849 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.659 4.068 6.754 1.00 0.00 N ATOM 0 H ASN A 34 94.576 3.233 9.097 1.00 0.00 H new ATOM 0 HA ASN A 34 96.037 5.496 8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.872 3.432 9.484 1.00 0.00 H new ATOM 0 HB3 ASN A 34 96.798 2.554 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.565 4.448 6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.049 3.648 6.053 1.00 0.00 H new ATOM 533 N VAL A 35 94.989 3.339 5.940 1.00 0.00 N ATOM 534 CA VAL A 35 94.783 3.140 4.508 1.00 0.00 C ATOM 535 C VAL A 35 93.994 4.314 3.930 1.00 0.00 C ATOM 536 O VAL A 35 94.395 4.918 2.932 1.00 0.00 O ATOM 537 CB VAL A 35 94.026 1.827 4.258 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.904 1.580 2.752 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.791 0.665 4.901 1.00 0.00 C ATOM 0 H VAL A 35 94.568 2.623 6.532 1.00 0.00 H new ATOM 0 HA VAL A 35 95.754 3.084 4.016 1.00 0.00 H new ATOM 0 HB VAL A 35 93.030 1.898 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.366 0.648 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.359 2.404 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.899 1.512 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.254 -0.267 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.787 0.599 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.877 0.836 5.974 1.00 0.00 H new ATOM 549 N LYS A 36 92.875 4.639 4.576 1.00 0.00 N ATOM 550 CA LYS A 36 92.038 5.748 4.131 1.00 0.00 C ATOM 551 C LYS A 36 92.838 7.046 4.145 1.00 0.00 C ATOM 552 O LYS A 36 92.999 7.694 3.112 1.00 0.00 O ATOM 553 CB LYS A 36 90.814 5.880 5.043 1.00 0.00 C ATOM 554 CG LYS A 36 89.970 4.602 4.956 1.00 0.00 C ATOM 555 CD LYS A 36 88.482 4.959 5.022 1.00 0.00 C ATOM 556 CE LYS A 36 88.124 5.413 6.440 1.00 0.00 C ATOM 557 NZ LYS A 36 86.671 5.743 6.504 1.00 0.00 N ATOM 0 H LYS A 36 92.530 4.153 5.404 1.00 0.00 H new ATOM 0 HA LYS A 36 91.703 5.550 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.131 6.050 6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.218 6.743 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.186 4.075 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.228 3.928 5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.256 5.751 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 36 87.878 4.096 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 36 88.361 4.626 7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 36 88.718 6.284 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 86.523 6.531 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 86.336 6.018 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 86.140 4.911 6.831 1.00 0.00 H new ATOM 571 N SER A 37 93.340 7.419 5.323 1.00 0.00 N ATOM 572 CA SER A 37 94.130 8.641 5.456 1.00 0.00 C ATOM 573 C SER A 37 95.200 8.699 4.370 1.00 0.00 C ATOM 574 O SER A 37 95.374 9.724 3.711 1.00 0.00 O ATOM 575 CB SER A 37 94.787 8.695 6.836 1.00 0.00 C ATOM 576 OG SER A 37 95.616 7.554 7.010 1.00 0.00 O ATOM 0 H SER A 37 93.215 6.897 6.190 1.00 0.00 H new ATOM 0 HA SER A 37 93.467 9.499 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.378 9.606 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.023 8.725 7.613 1.00 0.00 H new ATOM 0 HG SER A 37 96.159 7.664 7.818 1.00 0.00 H new ATOM 582 N LYS A 38 95.908 7.586 4.182 1.00 0.00 N ATOM 583 CA LYS A 38 96.950 7.520 3.162 1.00 0.00 C ATOM 584 C LYS A 38 96.399 8.018 1.829 1.00 0.00 C ATOM 585 O LYS A 38 97.099 8.687 1.069 1.00 0.00 O ATOM 586 CB LYS A 38 97.456 6.081 3.004 1.00 0.00 C ATOM 587 CG LYS A 38 98.839 5.946 3.650 1.00 0.00 C ATOM 588 CD LYS A 38 99.916 6.398 2.657 1.00 0.00 C ATOM 589 CE LYS A 38 101.172 6.830 3.419 1.00 0.00 C ATOM 590 NZ LYS A 38 101.873 7.900 2.653 1.00 0.00 N ATOM 0 H LYS A 38 95.780 6.727 4.717 1.00 0.00 H new ATOM 0 HA LYS A 38 97.782 8.153 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.757 5.386 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 97.510 5.818 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.889 6.550 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 38 99.014 4.912 3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.156 5.585 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 38 99.543 7.225 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 38 100.902 7.195 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.835 5.977 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.726 8.194 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 102.143 7.537 1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.239 8.716 2.538 1.00 0.00 H new ATOM 604 N ILE A 39 95.137 7.690 1.561 1.00 0.00 N ATOM 605 CA ILE A 39 94.493 8.112 0.323 1.00 0.00 C ATOM 606 C ILE A 39 94.287 9.629 0.310 1.00 0.00 C ATOM 607 O ILE A 39 94.510 10.277 -0.712 1.00 0.00 O ATOM 608 CB ILE A 39 93.148 7.373 0.146 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.074 6.778 -1.267 1.00 0.00 C ATOM 610 CG2 ILE A 39 91.964 8.328 0.357 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.180 7.892 -2.314 1.00 0.00 C ATOM 0 H ILE A 39 94.545 7.137 2.181 1.00 0.00 H new ATOM 0 HA ILE A 39 95.142 7.855 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 39 93.091 6.579 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.879 6.057 -1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.136 6.237 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.029 7.783 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.005 8.742 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.016 9.138 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.126 7.459 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.360 8.597 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.130 8.414 -2.195 1.00 0.00 H new ATOM 623 N GLN A 40 93.853 10.191 1.442 1.00 0.00 N ATOM 624 CA GLN A 40 93.618 11.634 1.524 1.00 0.00 C ATOM 625 C GLN A 40 94.889 12.409 1.188 1.00 0.00 C ATOM 626 O GLN A 40 94.827 13.534 0.704 1.00 0.00 O ATOM 627 CB GLN A 40 93.106 12.016 2.921 1.00 0.00 C ATOM 628 CG GLN A 40 94.271 12.393 3.851 1.00 0.00 C ATOM 629 CD GLN A 40 94.482 13.905 3.839 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.543 14.666 4.075 1.00 0.00 O ATOM 631 NE2 GLN A 40 95.666 14.387 3.577 1.00 0.00 N ATOM 0 H GLN A 40 93.660 9.677 2.302 1.00 0.00 H new ATOM 0 HA GLN A 40 92.855 11.899 0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.413 12.854 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.550 11.182 3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 40 94.061 12.055 4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.182 11.888 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 40 96.442 13.755 3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 40 95.815 15.396 3.567 1.00 0.00 H new ATOM 640 N ASP A 41 96.042 11.800 1.433 1.00 0.00 N ATOM 641 CA ASP A 41 97.305 12.457 1.126 1.00 0.00 C ATOM 642 C ASP A 41 97.504 12.478 -0.387 1.00 0.00 C ATOM 643 O ASP A 41 98.210 13.331 -0.927 1.00 0.00 O ATOM 644 CB ASP A 41 98.464 11.710 1.792 1.00 0.00 C ATOM 645 CG ASP A 41 99.621 12.669 2.059 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.368 12.939 1.132 1.00 0.00 O ATOM 647 OD2 ASP A 41 99.743 13.120 3.186 1.00 0.00 O ATOM 0 H ASP A 41 96.129 10.867 1.837 1.00 0.00 H new ATOM 0 HA ASP A 41 97.283 13.478 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.129 11.263 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.798 10.895 1.150 1.00 0.00 H new ATOM 652 N LYS A 42 96.876 11.511 -1.053 1.00 0.00 N ATOM 653 CA LYS A 42 96.978 11.382 -2.502 1.00 0.00 C ATOM 654 C LYS A 42 95.851 12.126 -3.226 1.00 0.00 C ATOM 655 O LYS A 42 96.089 12.746 -4.263 1.00 0.00 O ATOM 656 CB LYS A 42 96.939 9.900 -2.893 1.00 0.00 C ATOM 657 CG LYS A 42 97.992 9.121 -2.093 1.00 0.00 C ATOM 658 CD LYS A 42 99.381 9.358 -2.692 1.00 0.00 C ATOM 659 CE LYS A 42 100.447 8.763 -1.768 1.00 0.00 C ATOM 660 NZ LYS A 42 100.260 7.286 -1.678 1.00 0.00 N ATOM 0 H LYS A 42 96.290 10.804 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 42 97.925 11.829 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 42 95.947 9.490 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.127 9.792 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 42 97.977 9.438 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 42 97.757 8.057 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.445 8.901 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.554 10.426 -2.823 1.00 0.00 H new ATOM 0 HE2 LYS A 42 101.442 8.992 -2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 42 100.375 9.210 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 101.147 6.842 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 99.506 7.073 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 99.996 6.912 -2.612 1.00 0.00 H new ATOM 674 N GLU A 43 94.624 12.045 -2.702 1.00 0.00 N ATOM 675 CA GLU A 43 93.482 12.700 -3.351 1.00 0.00 C ATOM 676 C GLU A 43 92.886 13.819 -2.491 1.00 0.00 C ATOM 677 O GLU A 43 91.891 14.434 -2.875 1.00 0.00 O ATOM 678 CB GLU A 43 92.394 11.661 -3.645 1.00 0.00 C ATOM 679 CG GLU A 43 92.979 10.513 -4.477 1.00 0.00 C ATOM 680 CD GLU A 43 93.362 11.012 -5.868 1.00 0.00 C ATOM 681 OE1 GLU A 43 92.478 11.114 -6.703 1.00 0.00 O ATOM 682 OE2 GLU A 43 94.532 11.284 -6.078 1.00 0.00 O ATOM 0 H GLU A 43 94.397 11.541 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 43 93.847 13.148 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 43 91.987 11.274 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.569 12.128 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.855 10.101 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 43 92.251 9.706 -4.560 1.00 0.00 H new ATOM 689 N GLY A 44 93.500 14.092 -1.345 1.00 0.00 N ATOM 690 CA GLY A 44 93.017 15.155 -0.460 1.00 0.00 C ATOM 691 C GLY A 44 91.766 14.724 0.305 1.00 0.00 C ATOM 692 O GLY A 44 91.639 14.986 1.502 1.00 0.00 O ATOM 0 H GLY A 44 94.326 13.599 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.801 15.425 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.796 16.046 -1.047 1.00 0.00 H new ATOM 696 N ILE A 45 90.843 14.079 -0.406 1.00 0.00 N ATOM 697 CA ILE A 45 89.585 13.620 0.185 1.00 0.00 C ATOM 698 C ILE A 45 89.809 13.020 1.576 1.00 0.00 C ATOM 699 O ILE A 45 90.524 12.028 1.721 1.00 0.00 O ATOM 700 CB ILE A 45 88.939 12.564 -0.718 1.00 0.00 C ATOM 701 CG1 ILE A 45 88.844 13.092 -2.161 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.538 12.228 -0.194 1.00 0.00 C ATOM 703 CD1 ILE A 45 87.657 14.052 -2.299 1.00 0.00 C ATOM 0 H ILE A 45 90.943 13.861 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 45 88.927 14.484 0.280 1.00 0.00 H new ATOM 0 HB ILE A 45 89.553 11.663 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 45 89.768 13.604 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 45 88.729 12.258 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.079 11.477 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.613 11.839 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 45 86.924 13.129 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 45 87.602 14.418 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 45 86.734 13.528 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.790 14.894 -1.620 1.00 0.00 H new ATOM 715 N PRO A 46 89.211 13.599 2.594 1.00 0.00 N ATOM 716 CA PRO A 46 89.352 13.104 3.994 1.00 0.00 C ATOM 717 C PRO A 46 89.048 11.608 4.109 1.00 0.00 C ATOM 718 O PRO A 46 88.149 11.096 3.439 1.00 0.00 O ATOM 719 CB PRO A 46 88.343 13.923 4.812 1.00 0.00 C ATOM 720 CG PRO A 46 87.649 14.857 3.870 1.00 0.00 C ATOM 721 CD PRO A 46 88.349 14.785 2.513 1.00 0.00 C ATOM 0 HA PRO A 46 90.375 13.225 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.623 13.266 5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.851 14.480 5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.599 14.583 3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.677 15.876 4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.628 14.694 1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.933 15.685 2.322 1.00 0.00 H new ATOM 729 N PRO A 47 89.780 10.908 4.942 1.00 0.00 N ATOM 730 CA PRO A 47 89.595 9.442 5.150 1.00 0.00 C ATOM 731 C PRO A 47 88.139 9.075 5.438 1.00 0.00 C ATOM 732 O PRO A 47 87.637 8.062 4.952 1.00 0.00 O ATOM 733 CB PRO A 47 90.471 9.101 6.365 1.00 0.00 C ATOM 734 CG PRO A 47 91.114 10.373 6.827 1.00 0.00 C ATOM 735 CD PRO A 47 90.869 11.444 5.766 1.00 0.00 C ATOM 0 HA PRO A 47 89.870 8.887 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.869 8.664 7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.228 8.364 6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.696 10.684 7.785 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.183 10.225 6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.591 12.395 6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.764 11.624 5.171 1.00 0.00 H new ATOM 743 N ASP A 48 87.474 9.905 6.238 1.00 0.00 N ATOM 744 CA ASP A 48 86.078 9.663 6.601 1.00 0.00 C ATOM 745 C ASP A 48 85.164 9.776 5.383 1.00 0.00 C ATOM 746 O ASP A 48 84.234 8.984 5.222 1.00 0.00 O ATOM 747 CB ASP A 48 85.636 10.668 7.669 1.00 0.00 C ATOM 748 CG ASP A 48 86.063 12.081 7.273 1.00 0.00 C ATOM 749 OD1 ASP A 48 85.290 12.746 6.601 1.00 0.00 O ATOM 750 OD2 ASP A 48 87.157 12.475 7.644 1.00 0.00 O ATOM 0 H ASP A 48 87.877 10.748 6.647 1.00 0.00 H new ATOM 0 HA ASP A 48 86.002 8.650 6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.554 10.628 7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 48 86.075 10.404 8.631 1.00 0.00 H new ATOM 755 N GLN A 49 85.429 10.766 4.535 1.00 0.00 N ATOM 756 CA GLN A 49 84.619 10.977 3.336 1.00 0.00 C ATOM 757 C GLN A 49 84.680 9.759 2.415 1.00 0.00 C ATOM 758 O GLN A 49 83.848 9.606 1.521 1.00 0.00 O ATOM 759 CB GLN A 49 85.114 12.217 2.587 1.00 0.00 C ATOM 760 CG GLN A 49 84.035 12.700 1.611 1.00 0.00 C ATOM 761 CD GLN A 49 83.567 14.100 1.998 1.00 0.00 C ATOM 762 OE1 GLN A 49 84.067 15.092 1.465 1.00 0.00 O ATOM 763 NE2 GLN A 49 82.634 14.241 2.898 1.00 0.00 N ATOM 0 H GLN A 49 86.193 11.432 4.653 1.00 0.00 H new ATOM 0 HA GLN A 49 83.584 11.125 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.356 13.009 3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 49 86.030 11.984 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.430 12.708 0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.191 12.011 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 49 82.221 13.418 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 49 82.317 15.174 3.162 1.00 0.00 H new ATOM 772 N GLN A 50 85.671 8.896 2.641 1.00 0.00 N ATOM 773 CA GLN A 50 85.832 7.694 1.826 1.00 0.00 C ATOM 774 C GLN A 50 85.664 6.439 2.677 1.00 0.00 C ATOM 775 O GLN A 50 85.668 6.503 3.906 1.00 0.00 O ATOM 776 CB GLN A 50 87.219 7.684 1.178 1.00 0.00 C ATOM 777 CG GLN A 50 87.298 8.771 0.104 1.00 0.00 C ATOM 778 CD GLN A 50 88.740 9.233 -0.066 1.00 0.00 C ATOM 779 OE1 GLN A 50 89.314 9.099 -1.146 1.00 0.00 O ATOM 780 NE2 GLN A 50 89.365 9.771 0.945 1.00 0.00 N ATOM 0 H GLN A 50 86.369 9.006 3.376 1.00 0.00 H new ATOM 0 HA GLN A 50 85.065 7.701 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.985 7.852 1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.416 6.708 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 50 86.917 8.387 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 50 86.668 9.615 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 50 88.888 9.881 1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.331 10.081 0.841 1.00 0.00 H new ATOM 789 N ARG A 51 85.525 5.299 2.005 1.00 0.00 N ATOM 790 CA ARG A 51 85.365 4.018 2.694 1.00 0.00 C ATOM 791 C ARG A 51 86.199 2.951 1.995 1.00 0.00 C ATOM 792 O ARG A 51 86.677 3.161 0.881 1.00 0.00 O ATOM 793 CB ARG A 51 83.891 3.591 2.705 1.00 0.00 C ATOM 794 CG ARG A 51 82.984 4.825 2.660 1.00 0.00 C ATOM 795 CD ARG A 51 81.520 4.381 2.614 1.00 0.00 C ATOM 796 NE ARG A 51 81.107 3.860 3.914 1.00 0.00 N ATOM 797 CZ ARG A 51 81.092 4.632 4.996 1.00 0.00 C ATOM 798 NH1 ARG A 51 80.525 5.806 4.952 1.00 0.00 N ATOM 799 NH2 ARG A 51 81.646 4.217 6.101 1.00 0.00 N ATOM 0 H ARG A 51 85.520 5.234 0.987 1.00 0.00 H new ATOM 0 HA ARG A 51 85.704 4.133 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.685 2.947 1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.680 3.008 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.158 5.450 3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.219 5.431 1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 51 80.886 5.223 2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.389 3.615 1.849 1.00 0.00 H new ATOM 0 HE ARG A 51 80.824 2.883 3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 51 80.093 6.132 4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 51 80.514 6.398 5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 51 82.091 3.300 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 51 81.634 4.810 6.931 1.00 0.00 H new ATOM 813 N LEU A 52 86.371 1.805 2.651 1.00 0.00 N ATOM 814 CA LEU A 52 87.154 0.716 2.074 1.00 0.00 C ATOM 815 C LEU A 52 86.318 -0.557 1.991 1.00 0.00 C ATOM 816 O LEU A 52 85.968 -1.147 3.013 1.00 0.00 O ATOM 817 CB LEU A 52 88.404 0.462 2.928 1.00 0.00 C ATOM 818 CG LEU A 52 89.671 0.779 2.122 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.721 -0.096 0.865 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.669 2.258 1.721 1.00 0.00 C ATOM 0 H LEU A 52 85.983 1.608 3.573 1.00 0.00 H new ATOM 0 HA LEU A 52 87.457 1.002 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.371 1.079 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.424 -0.577 3.256 1.00 0.00 H new ATOM 0 HG LEU A 52 90.547 0.572 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.623 0.134 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.732 -1.147 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.844 0.102 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.570 2.481 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.790 2.469 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.646 2.878 2.617 1.00 0.00 H new ATOM 832 N ILE A 53 86.007 -0.975 0.768 1.00 0.00 N ATOM 833 CA ILE A 53 85.219 -2.185 0.551 1.00 0.00 C ATOM 834 C ILE A 53 86.097 -3.254 -0.091 1.00 0.00 C ATOM 835 O ILE A 53 86.669 -3.032 -1.157 1.00 0.00 O ATOM 836 CB ILE A 53 84.022 -1.870 -0.361 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.899 -1.226 0.462 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.496 -3.159 -1.002 1.00 0.00 C ATOM 839 CD1 ILE A 53 83.336 0.155 0.958 1.00 0.00 C ATOM 0 H ILE A 53 86.288 -0.495 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 53 84.847 -2.552 1.507 1.00 0.00 H new ATOM 0 HB ILE A 53 84.348 -1.183 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.999 -1.135 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.648 -1.863 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.648 -2.925 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 53 84.286 -3.619 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 53 83.179 -3.850 -0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.532 0.603 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 53 84.224 0.053 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.564 0.793 0.104 1.00 0.00 H new ATOM 851 N TRP A 54 86.214 -4.407 0.565 1.00 0.00 N ATOM 852 CA TRP A 54 87.041 -5.488 0.040 1.00 0.00 C ATOM 853 C TRP A 54 86.337 -6.835 0.193 1.00 0.00 C ATOM 854 O TRP A 54 85.768 -7.137 1.243 1.00 0.00 O ATOM 855 CB TRP A 54 88.383 -5.514 0.780 1.00 0.00 C ATOM 856 CG TRP A 54 89.183 -6.699 0.340 1.00 0.00 C ATOM 857 CD1 TRP A 54 89.908 -6.771 -0.801 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.348 -7.982 1.010 1.00 0.00 C ATOM 859 NE1 TRP A 54 90.508 -8.014 -0.870 1.00 0.00 N ATOM 860 CE2 TRP A 54 90.193 -8.797 0.222 1.00 0.00 C ATOM 861 CE3 TRP A 54 88.850 -8.511 2.215 1.00 0.00 C ATOM 862 CZ2 TRP A 54 90.533 -10.091 0.615 1.00 0.00 C ATOM 863 CZ3 TRP A 54 89.191 -9.814 2.613 1.00 0.00 C ATOM 864 CH2 TRP A 54 90.030 -10.603 1.814 1.00 0.00 C ATOM 0 H TRP A 54 85.752 -4.614 1.450 1.00 0.00 H new ATOM 0 HA TRP A 54 87.212 -5.310 -1.022 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.936 -4.596 0.581 1.00 0.00 H new ATOM 0 HB3 TRP A 54 88.214 -5.557 1.856 1.00 0.00 H new ATOM 0 HD1 TRP A 54 90.002 -5.986 -1.537 1.00 0.00 H new ATOM 0 HE1 TRP A 54 91.111 -8.316 -1.635 1.00 0.00 H new ATOM 0 HE3 TRP A 54 88.202 -7.912 2.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 91.181 -10.694 -0.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 88.804 -10.210 3.540 1.00 0.00 H new ATOM 0 HH2 TRP A 54 90.287 -11.605 2.125 1.00 0.00 H new ATOM 875 N ALA A 55 86.390 -7.638 -0.869 1.00 0.00 N ATOM 876 CA ALA A 55 85.767 -8.961 -0.874 1.00 0.00 C ATOM 877 C ALA A 55 84.273 -8.873 -0.566 1.00 0.00 C ATOM 878 O ALA A 55 83.774 -9.546 0.337 1.00 0.00 O ATOM 879 CB ALA A 55 86.459 -9.875 0.143 1.00 0.00 C ATOM 0 H ALA A 55 86.860 -7.394 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 55 85.882 -9.382 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.986 -10.857 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 55 87.513 -9.976 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 55 86.371 -9.443 1.140 1.00 0.00 H new ATOM 885 N GLY A 56 83.563 -8.057 -1.342 1.00 0.00 N ATOM 886 CA GLY A 56 82.120 -7.896 -1.175 1.00 0.00 C ATOM 887 C GLY A 56 81.732 -7.477 0.243 1.00 0.00 C ATOM 888 O GLY A 56 80.545 -7.441 0.574 1.00 0.00 O ATOM 0 H GLY A 56 83.964 -7.496 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.758 -7.149 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 56 81.623 -8.835 -1.421 1.00 0.00 H new ATOM 892 N LYS A 57 82.721 -7.174 1.082 1.00 0.00 N ATOM 893 CA LYS A 57 82.440 -6.776 2.460 1.00 0.00 C ATOM 894 C LYS A 57 83.043 -5.409 2.777 1.00 0.00 C ATOM 895 O LYS A 57 84.161 -5.100 2.365 1.00 0.00 O ATOM 896 CB LYS A 57 83.011 -7.820 3.425 1.00 0.00 C ATOM 897 CG LYS A 57 82.158 -9.093 3.370 1.00 0.00 C ATOM 898 CD LYS A 57 80.937 -8.942 4.286 1.00 0.00 C ATOM 899 CE LYS A 57 81.185 -9.681 5.605 1.00 0.00 C ATOM 900 NZ LYS A 57 82.261 -8.990 6.369 1.00 0.00 N ATOM 0 H LYS A 57 83.711 -7.196 0.837 1.00 0.00 H new ATOM 0 HA LYS A 57 81.359 -6.710 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 57 84.043 -8.050 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 57 83.024 -7.423 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.835 -9.281 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 57 82.752 -9.953 3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 57 80.744 -7.887 4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.050 -9.343 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.269 -9.712 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.471 -10.714 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.336 -9.408 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 83.167 -9.100 5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.033 -7.979 6.453 1.00 0.00 H new ATOM 914 N GLN A 58 82.291 -4.601 3.525 1.00 0.00 N ATOM 915 CA GLN A 58 82.753 -3.271 3.913 1.00 0.00 C ATOM 916 C GLN A 58 83.769 -3.383 5.044 1.00 0.00 C ATOM 917 O GLN A 58 83.481 -3.970 6.089 1.00 0.00 O ATOM 918 CB GLN A 58 81.569 -2.416 4.382 1.00 0.00 C ATOM 919 CG GLN A 58 80.652 -2.094 3.200 1.00 0.00 C ATOM 920 CD GLN A 58 79.369 -1.439 3.701 1.00 0.00 C ATOM 921 OE1 GLN A 58 79.301 -0.216 3.821 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.343 -2.186 4.006 1.00 0.00 N ATOM 0 H GLN A 58 81.363 -4.844 3.872 1.00 0.00 H new ATOM 0 HA GLN A 58 83.219 -2.799 3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.010 -2.947 5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.933 -1.492 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 58 81.162 -1.429 2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.415 -3.007 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.402 -3.199 3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.482 -1.756 4.345 1.00 0.00 H new ATOM 931 N LEU A 59 84.954 -2.822 4.834 1.00 0.00 N ATOM 932 CA LEU A 59 86.000 -2.873 5.854 1.00 0.00 C ATOM 933 C LEU A 59 85.740 -1.830 6.936 1.00 0.00 C ATOM 934 O LEU A 59 85.369 -0.693 6.641 1.00 0.00 O ATOM 935 CB LEU A 59 87.374 -2.626 5.220 1.00 0.00 C ATOM 936 CG LEU A 59 87.647 -3.687 4.146 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.806 -3.229 3.253 1.00 0.00 C ATOM 938 CD2 LEU A 59 88.015 -5.016 4.817 1.00 0.00 C ATOM 0 H LEU A 59 85.215 -2.332 3.978 1.00 0.00 H new ATOM 0 HA LEU A 59 85.989 -3.864 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.407 -1.630 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 59 88.150 -2.661 5.985 1.00 0.00 H new ATOM 0 HG LEU A 59 86.752 -3.822 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.998 -3.984 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.544 -2.286 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.700 -3.090 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.209 -5.768 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.908 -4.881 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.190 -5.345 5.449 1.00 0.00 H new ATOM 950 N GLU A 60 85.934 -2.228 8.192 1.00 0.00 N ATOM 951 CA GLU A 60 85.718 -1.326 9.319 1.00 0.00 C ATOM 952 C GLU A 60 87.005 -0.588 9.673 1.00 0.00 C ATOM 953 O GLU A 60 88.091 -1.158 9.620 1.00 0.00 O ATOM 954 CB GLU A 60 85.232 -2.117 10.537 1.00 0.00 C ATOM 955 CG GLU A 60 83.778 -2.552 10.325 1.00 0.00 C ATOM 956 CD GLU A 60 82.842 -1.360 10.499 1.00 0.00 C ATOM 957 OE1 GLU A 60 82.571 -1.006 11.636 1.00 0.00 O ATOM 958 OE2 GLU A 60 82.410 -0.816 9.496 1.00 0.00 O ATOM 0 H GLU A 60 86.239 -3.166 8.453 1.00 0.00 H new ATOM 0 HA GLU A 60 84.961 -0.596 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.864 -2.991 10.691 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.311 -1.505 11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 60 83.659 -2.975 9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.517 -3.335 11.037 1.00 0.00 H new ATOM 965 N ASP A 61 86.868 0.687 10.027 1.00 0.00 N ATOM 966 CA ASP A 61 88.022 1.509 10.384 1.00 0.00 C ATOM 967 C ASP A 61 88.868 0.837 11.468 1.00 0.00 C ATOM 968 O ASP A 61 90.039 1.174 11.649 1.00 0.00 O ATOM 969 CB ASP A 61 87.549 2.879 10.883 1.00 0.00 C ATOM 970 CG ASP A 61 88.060 3.981 9.958 1.00 0.00 C ATOM 971 OD1 ASP A 61 89.261 4.043 9.750 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.245 4.748 9.475 1.00 0.00 O ATOM 0 H ASP A 61 85.972 1.173 10.074 1.00 0.00 H new ATOM 0 HA ASP A 61 88.638 1.631 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.460 2.904 10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.909 3.049 11.898 1.00 0.00 H new ATOM 977 N GLY A 62 88.264 -0.107 12.189 1.00 0.00 N ATOM 978 CA GLY A 62 88.965 -0.812 13.261 1.00 0.00 C ATOM 979 C GLY A 62 89.678 -2.064 12.749 1.00 0.00 C ATOM 980 O GLY A 62 90.433 -2.698 13.488 1.00 0.00 O ATOM 0 H GLY A 62 87.297 -0.400 12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.692 -0.143 13.721 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.253 -1.092 14.038 1.00 0.00 H new ATOM 984 N ARG A 63 89.436 -2.421 11.488 1.00 0.00 N ATOM 985 CA ARG A 63 90.065 -3.605 10.906 1.00 0.00 C ATOM 986 C ARG A 63 91.541 -3.351 10.615 1.00 0.00 C ATOM 987 O ARG A 63 91.978 -2.202 10.520 1.00 0.00 O ATOM 988 CB ARG A 63 89.351 -4.004 9.609 1.00 0.00 C ATOM 989 CG ARG A 63 88.126 -4.867 9.933 1.00 0.00 C ATOM 990 CD ARG A 63 88.565 -6.306 10.222 1.00 0.00 C ATOM 991 NE ARG A 63 87.616 -7.250 9.641 1.00 0.00 N ATOM 992 CZ ARG A 63 87.891 -8.548 9.568 1.00 0.00 C ATOM 993 NH1 ARG A 63 88.072 -9.240 10.660 1.00 0.00 N ATOM 994 NH2 ARG A 63 87.981 -9.130 8.403 1.00 0.00 N ATOM 0 H ARG A 63 88.816 -1.914 10.856 1.00 0.00 H new ATOM 0 HA ARG A 63 89.984 -4.417 11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 63 89.044 -3.112 9.063 1.00 0.00 H new ATOM 0 HB3 ARG A 63 90.034 -4.555 8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 63 87.600 -4.458 10.795 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.428 -4.851 9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 63 89.559 -6.480 9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.633 -6.464 11.298 1.00 0.00 H new ATOM 0 HE ARG A 63 86.724 -6.907 9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 63 88.002 -8.784 11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 63 88.283 -10.236 10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 63 87.840 -8.588 7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 63 88.192 -10.126 8.346 1.00 0.00 H new ATOM 1008 N THR A 64 92.299 -4.437 10.469 1.00 0.00 N ATOM 1009 CA THR A 64 93.727 -4.340 10.183 1.00 0.00 C ATOM 1010 C THR A 64 94.047 -4.997 8.844 1.00 0.00 C ATOM 1011 O THR A 64 93.237 -5.747 8.298 1.00 0.00 O ATOM 1012 CB THR A 64 94.536 -5.019 11.294 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.924 -6.254 11.638 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.584 -4.111 12.525 1.00 0.00 C ATOM 0 H THR A 64 91.948 -5.392 10.544 1.00 0.00 H new ATOM 0 HA THR A 64 93.997 -3.285 10.135 1.00 0.00 H new ATOM 0 HB THR A 64 95.551 -5.202 10.942 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.442 -6.689 12.347 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.160 -4.596 13.313 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.056 -3.165 12.261 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.570 -3.924 12.879 1.00 0.00 H new ATOM 1022 N LEU A 65 95.233 -4.703 8.323 1.00 0.00 N ATOM 1023 CA LEU A 65 95.665 -5.259 7.046 1.00 0.00 C ATOM 1024 C LEU A 65 96.101 -6.715 7.214 1.00 0.00 C ATOM 1025 O LEU A 65 95.881 -7.547 6.333 1.00 0.00 O ATOM 1026 CB LEU A 65 96.829 -4.416 6.490 1.00 0.00 C ATOM 1027 CG LEU A 65 96.297 -3.224 5.672 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.405 -2.685 4.763 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.107 -3.650 4.802 1.00 0.00 C ATOM 0 H LEU A 65 95.912 -4.083 8.765 1.00 0.00 H new ATOM 0 HA LEU A 65 94.830 -5.232 6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.446 -4.053 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.467 -5.038 5.862 1.00 0.00 H new ATOM 0 HG LEU A 65 95.973 -2.451 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.025 -1.842 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.248 -2.357 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 65 97.733 -3.471 4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.747 -2.793 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.421 -4.436 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.306 -4.025 5.439 1.00 0.00 H new ATOM 1041 N SER A 66 96.726 -7.007 8.347 1.00 0.00 N ATOM 1042 CA SER A 66 97.206 -8.357 8.633 1.00 0.00 C ATOM 1043 C SER A 66 96.067 -9.274 9.076 1.00 0.00 C ATOM 1044 O SER A 66 96.249 -10.489 9.171 1.00 0.00 O ATOM 1045 CB SER A 66 98.272 -8.308 9.729 1.00 0.00 C ATOM 1046 OG SER A 66 97.748 -7.631 10.865 1.00 0.00 O ATOM 0 H SER A 66 96.914 -6.328 9.085 1.00 0.00 H new ATOM 0 HA SER A 66 97.633 -8.760 7.715 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.576 -9.319 10.002 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.162 -7.795 9.364 1.00 0.00 H new ATOM 0 HG SER A 66 98.362 -7.737 11.621 1.00 0.00 H new ATOM 1052 N ASP A 67 94.897 -8.695 9.343 1.00 0.00 N ATOM 1053 CA ASP A 67 93.749 -9.491 9.773 1.00 0.00 C ATOM 1054 C ASP A 67 93.497 -10.622 8.780 1.00 0.00 C ATOM 1055 O ASP A 67 93.598 -11.801 9.125 1.00 0.00 O ATOM 1056 CB ASP A 67 92.503 -8.603 9.873 1.00 0.00 C ATOM 1057 CG ASP A 67 91.256 -9.462 10.065 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.924 -9.743 11.204 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.653 -9.828 9.069 1.00 0.00 O ATOM 0 H ASP A 67 94.720 -7.693 9.271 1.00 0.00 H new ATOM 0 HA ASP A 67 93.963 -9.917 10.753 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.608 -7.910 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.403 -8.001 8.970 1.00 0.00 H new ATOM 1064 N TYR A 68 93.175 -10.250 7.545 1.00 0.00 N ATOM 1065 CA TYR A 68 92.913 -11.233 6.500 1.00 0.00 C ATOM 1066 C TYR A 68 94.204 -11.580 5.760 1.00 0.00 C ATOM 1067 O TYR A 68 94.183 -12.303 4.763 1.00 0.00 O ATOM 1068 CB TYR A 68 91.878 -10.683 5.512 1.00 0.00 C ATOM 1069 CG TYR A 68 90.825 -11.736 5.248 1.00 0.00 C ATOM 1070 CD1 TYR A 68 91.076 -12.765 4.333 1.00 0.00 C ATOM 1071 CD2 TYR A 68 89.597 -11.682 5.921 1.00 0.00 C ATOM 1072 CE1 TYR A 68 90.102 -13.740 4.090 1.00 0.00 C ATOM 1073 CE2 TYR A 68 88.624 -12.658 5.678 1.00 0.00 C ATOM 1074 CZ TYR A 68 88.876 -13.687 4.762 1.00 0.00 C ATOM 1075 OH TYR A 68 87.916 -14.648 4.523 1.00 0.00 O ATOM 0 H TYR A 68 93.090 -9.279 7.244 1.00 0.00 H new ATOM 0 HA TYR A 68 92.520 -12.138 6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.415 -9.783 5.917 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.365 -10.398 4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 68 92.022 -12.807 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.402 -10.888 6.627 1.00 0.00 H new ATOM 0 HE1 TYR A 68 90.297 -14.533 3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.678 -12.618 6.197 1.00 0.00 H new ATOM 0 HH TYR A 68 87.125 -14.464 5.072 1.00 0.00 H new ATOM 1085 N ASN A 69 95.325 -11.051 6.255 1.00 0.00 N ATOM 1086 CA ASN A 69 96.627 -11.298 5.639 1.00 0.00 C ATOM 1087 C ASN A 69 96.734 -10.547 4.313 1.00 0.00 C ATOM 1088 O ASN A 69 97.353 -11.025 3.361 1.00 0.00 O ATOM 1089 CB ASN A 69 96.836 -12.802 5.412 1.00 0.00 C ATOM 1090 CG ASN A 69 98.312 -13.155 5.578 1.00 0.00 C ATOM 1091 OD1 ASN A 69 98.666 -13.953 6.445 1.00 0.00 O ATOM 1092 ND2 ASN A 69 99.198 -12.603 4.795 1.00 0.00 N ATOM 0 H ASN A 69 95.356 -10.450 7.079 1.00 0.00 H new ATOM 0 HA ASN A 69 97.404 -10.936 6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.235 -13.372 6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 69 96.498 -13.078 4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 69 100.186 -12.833 4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.902 -11.942 4.077 1.00 0.00 H new ATOM 1099 N ILE A 70 96.124 -9.363 4.270 1.00 0.00 N ATOM 1100 CA ILE A 70 96.147 -8.534 3.066 1.00 0.00 C ATOM 1101 C ILE A 70 97.582 -8.366 2.575 1.00 0.00 C ATOM 1102 O ILE A 70 98.341 -7.550 3.100 1.00 0.00 O ATOM 1103 CB ILE A 70 95.532 -7.158 3.355 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.086 -7.328 3.853 1.00 0.00 C ATOM 1105 CG2 ILE A 70 95.542 -6.308 2.078 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.173 -7.759 2.699 1.00 0.00 C ATOM 0 H ILE A 70 95.610 -8.958 5.052 1.00 0.00 H new ATOM 0 HA ILE A 70 95.559 -9.027 2.292 1.00 0.00 H new ATOM 0 HB ILE A 70 96.120 -6.658 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.053 -8.072 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 70 93.728 -6.390 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.105 -5.332 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.568 -6.180 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 70 94.960 -6.808 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.153 -7.875 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.193 -7.000 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.523 -8.708 2.293 1.00 0.00 H new ATOM 1118 N GLN A 71 97.945 -9.155 1.567 1.00 0.00 N ATOM 1119 CA GLN A 71 99.291 -9.104 1.009 1.00 0.00 C ATOM 1120 C GLN A 71 99.536 -7.774 0.303 1.00 0.00 C ATOM 1121 O GLN A 71 98.596 -7.106 -0.129 1.00 0.00 O ATOM 1122 CB GLN A 71 99.492 -10.257 0.018 1.00 0.00 C ATOM 1123 CG GLN A 71 98.298 -10.341 -0.941 1.00 0.00 C ATOM 1124 CD GLN A 71 97.492 -11.612 -0.671 1.00 0.00 C ATOM 1125 OE1 GLN A 71 97.340 -12.450 -1.559 1.00 0.00 O ATOM 1126 NE2 GLN A 71 96.964 -11.804 0.508 1.00 0.00 N ATOM 0 H GLN A 71 97.328 -9.834 1.122 1.00 0.00 H new ATOM 0 HA GLN A 71 100.003 -9.200 1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 71 100.412 -10.106 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 71 99.601 -11.197 0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 71 97.661 -9.465 -0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 71 98.650 -10.337 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 71 97.091 -11.108 1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 71 96.425 -12.650 0.694 1.00 0.00 H new ATOM 1135 N ARG A 72 100.808 -7.399 0.193 1.00 0.00 N ATOM 1136 CA ARG A 72 101.177 -6.147 -0.463 1.00 0.00 C ATOM 1137 C ARG A 72 100.543 -6.058 -1.849 1.00 0.00 C ATOM 1138 O ARG A 72 99.940 -5.045 -2.200 1.00 0.00 O ATOM 1139 CB ARG A 72 102.703 -6.033 -0.588 1.00 0.00 C ATOM 1140 CG ARG A 72 103.353 -7.423 -0.582 1.00 0.00 C ATOM 1141 CD ARG A 72 103.823 -7.764 0.835 1.00 0.00 C ATOM 1142 NE ARG A 72 104.016 -9.204 0.974 1.00 0.00 N ATOM 1143 CZ ARG A 72 102.991 -10.018 1.201 1.00 0.00 C ATOM 1144 NH1 ARG A 72 102.401 -10.014 2.364 1.00 0.00 N ATOM 1145 NH2 ARG A 72 102.578 -10.822 0.261 1.00 0.00 N ATOM 0 H ARG A 72 101.597 -7.940 0.547 1.00 0.00 H new ATOM 0 HA ARG A 72 100.807 -5.325 0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.959 -5.510 -1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.097 -5.438 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 72 102.640 -8.171 -0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.197 -7.444 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.756 -7.243 1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 72 103.089 -7.417 1.562 1.00 0.00 H new ATOM 0 HE ARG A 72 104.956 -9.593 0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 72 102.727 -9.386 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 72 101.614 -10.639 2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 72 103.042 -10.825 -0.647 1.00 0.00 H new ATOM 0 HH22 ARG A 72 101.791 -11.447 0.434 1.00 0.00 H new ATOM 1159 N GLU A 73 100.686 -7.126 -2.630 1.00 0.00 N ATOM 1160 CA GLU A 73 100.126 -7.160 -3.979 1.00 0.00 C ATOM 1161 C GLU A 73 98.632 -7.480 -3.940 1.00 0.00 C ATOM 1162 O GLU A 73 98.171 -8.428 -4.578 1.00 0.00 O ATOM 1163 CB GLU A 73 100.861 -8.213 -4.818 1.00 0.00 C ATOM 1164 CG GLU A 73 102.353 -7.869 -4.880 1.00 0.00 C ATOM 1165 CD GLU A 73 103.143 -9.062 -5.411 1.00 0.00 C ATOM 1166 OE1 GLU A 73 103.250 -9.186 -6.620 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.628 -9.835 -4.601 1.00 0.00 O ATOM 0 H GLU A 73 101.181 -7.974 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 73 100.256 -6.177 -4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.723 -9.202 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.443 -8.248 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.508 -7.004 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.713 -7.596 -3.888 1.00 0.00 H new ATOM 1174 N SER A 74 97.880 -6.679 -3.186 1.00 0.00 N ATOM 1175 CA SER A 74 96.437 -6.878 -3.067 1.00 0.00 C ATOM 1176 C SER A 74 95.683 -5.751 -3.765 1.00 0.00 C ATOM 1177 O SER A 74 96.058 -4.581 -3.663 1.00 0.00 O ATOM 1178 CB SER A 74 96.034 -6.922 -1.592 1.00 0.00 C ATOM 1179 OG SER A 74 94.629 -7.123 -1.493 1.00 0.00 O ATOM 0 H SER A 74 98.244 -5.890 -2.651 1.00 0.00 H new ATOM 0 HA SER A 74 96.180 -7.825 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.565 -7.726 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.315 -5.992 -1.099 1.00 0.00 H new ATOM 0 HG SER A 74 94.426 -7.613 -0.669 1.00 0.00 H new ATOM 1185 N THR A 75 94.611 -6.113 -4.468 1.00 0.00 N ATOM 1186 CA THR A 75 93.800 -5.127 -5.174 1.00 0.00 C ATOM 1187 C THR A 75 92.665 -4.644 -4.276 1.00 0.00 C ATOM 1188 O THR A 75 91.635 -5.307 -4.142 1.00 0.00 O ATOM 1189 CB THR A 75 93.225 -5.735 -6.460 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.276 -6.322 -7.214 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.548 -4.639 -7.291 1.00 0.00 C ATOM 0 H THR A 75 94.287 -7.075 -4.563 1.00 0.00 H new ATOM 0 HA THR A 75 94.432 -4.279 -5.437 1.00 0.00 H new ATOM 0 HB THR A 75 92.490 -6.498 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.911 -6.713 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.141 -5.074 -8.204 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.742 -4.189 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.280 -3.874 -7.549 1.00 0.00 H new ATOM 1199 N LEU A 76 92.868 -3.483 -3.662 1.00 0.00 N ATOM 1200 CA LEU A 76 91.867 -2.903 -2.773 1.00 0.00 C ATOM 1201 C LEU A 76 90.878 -2.060 -3.566 1.00 0.00 C ATOM 1202 O LEU A 76 91.220 -1.501 -4.608 1.00 0.00 O ATOM 1203 CB LEU A 76 92.550 -2.022 -1.718 1.00 0.00 C ATOM 1204 CG LEU A 76 92.872 -2.849 -0.465 1.00 0.00 C ATOM 1205 CD1 LEU A 76 91.571 -3.316 0.200 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.718 -4.068 -0.850 1.00 0.00 C ATOM 0 H LEU A 76 93.716 -2.925 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 76 91.332 -3.715 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.466 -1.596 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 76 91.900 -1.187 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 76 93.431 -2.229 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 76 91.806 -3.902 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.976 -2.448 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.005 -3.930 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.943 -4.651 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.165 -4.686 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 76 94.648 -3.735 -1.310 1.00 0.00 H new ATOM 1218 N HIS A 77 89.653 -1.969 -3.059 1.00 0.00 N ATOM 1219 CA HIS A 77 88.617 -1.183 -3.716 1.00 0.00 C ATOM 1220 C HIS A 77 88.098 -0.110 -2.766 1.00 0.00 C ATOM 1221 O HIS A 77 87.532 -0.421 -1.717 1.00 0.00 O ATOM 1222 CB HIS A 77 87.470 -2.093 -4.158 1.00 0.00 C ATOM 1223 CG HIS A 77 87.929 -2.956 -5.302 1.00 0.00 C ATOM 1224 ND1 HIS A 77 87.716 -2.604 -6.626 1.00 0.00 N ATOM 1225 CD2 HIS A 77 88.595 -4.156 -5.336 1.00 0.00 C ATOM 1226 CE1 HIS A 77 88.244 -3.574 -7.393 1.00 0.00 C ATOM 1227 NE2 HIS A 77 88.793 -4.544 -6.658 1.00 0.00 N ATOM 0 H HIS A 77 89.355 -2.428 -2.198 1.00 0.00 H new ATOM 0 HA HIS A 77 89.042 -0.701 -4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.144 -2.717 -3.325 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.612 -1.493 -4.462 1.00 0.00 H new ATOM 0 HD2 HIS A 77 88.916 -4.714 -4.469 1.00 0.00 H new ATOM 0 HE1 HIS A 77 88.226 -3.569 -8.473 1.00 0.00 H new ATOM 0 HE2 HIS A 77 89.258 -5.388 -6.993 1.00 0.00 H new ATOM 1235 N LEU A 78 88.293 1.152 -3.140 1.00 0.00 N ATOM 1236 CA LEU A 78 87.840 2.272 -2.319 1.00 0.00 C ATOM 1237 C LEU A 78 86.643 2.956 -2.974 1.00 0.00 C ATOM 1238 O LEU A 78 86.556 3.030 -4.197 1.00 0.00 O ATOM 1239 CB LEU A 78 88.986 3.283 -2.157 1.00 0.00 C ATOM 1240 CG LEU A 78 88.488 4.538 -1.422 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.555 5.015 -0.432 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.206 5.650 -2.439 1.00 0.00 C ATOM 0 H LEU A 78 88.761 1.425 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 78 87.540 1.897 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.806 2.828 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.379 3.558 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 78 87.573 4.297 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.198 5.905 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 78 89.756 4.227 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.472 5.253 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 78 87.853 6.539 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.121 5.887 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.443 5.315 -3.142 1.00 0.00 H new ATOM 1254 N VAL A 79 85.724 3.454 -2.152 1.00 0.00 N ATOM 1255 CA VAL A 79 84.540 4.135 -2.667 1.00 0.00 C ATOM 1256 C VAL A 79 84.552 5.605 -2.255 1.00 0.00 C ATOM 1257 O VAL A 79 84.832 5.935 -1.100 1.00 0.00 O ATOM 1258 CB VAL A 79 83.268 3.451 -2.152 1.00 0.00 C ATOM 1259 CG1 VAL A 79 83.259 1.984 -2.593 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.221 3.523 -0.622 1.00 0.00 C ATOM 0 H VAL A 79 85.775 3.400 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 79 84.552 4.078 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 79 82.397 3.961 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.354 1.499 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.283 1.931 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 79 84.133 1.476 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.315 3.035 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 79 84.094 3.019 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.221 4.566 -0.307 1.00 0.00 H new ATOM 1270 N LEU A 80 84.258 6.482 -3.213 1.00 0.00 N ATOM 1271 CA LEU A 80 84.244 7.921 -2.957 1.00 0.00 C ATOM 1272 C LEU A 80 82.812 8.438 -2.854 1.00 0.00 C ATOM 1273 O LEU A 80 81.976 8.155 -3.713 1.00 0.00 O ATOM 1274 CB LEU A 80 84.971 8.656 -4.089 1.00 0.00 C ATOM 1275 CG LEU A 80 86.443 8.860 -3.716 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.295 8.902 -4.987 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.599 10.180 -2.956 1.00 0.00 C ATOM 0 H LEU A 80 84.027 6.222 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 80 84.752 8.107 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.897 8.083 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.496 9.620 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 80 86.773 8.034 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.341 9.047 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.186 7.963 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.965 9.726 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.646 10.325 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.267 11.004 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.995 10.151 -2.049 1.00 0.00 H new ATOM 1289 N ARG A 81 82.541 9.206 -1.800 1.00 0.00 N ATOM 1290 CA ARG A 81 81.209 9.770 -1.592 1.00 0.00 C ATOM 1291 C ARG A 81 81.077 11.102 -2.325 1.00 0.00 C ATOM 1292 O ARG A 81 82.002 11.917 -2.319 1.00 0.00 O ATOM 1293 CB ARG A 81 80.956 9.985 -0.098 1.00 0.00 C ATOM 1294 CG ARG A 81 80.642 8.646 0.572 1.00 0.00 C ATOM 1295 CD ARG A 81 80.189 8.889 2.014 1.00 0.00 C ATOM 1296 NE ARG A 81 79.639 7.666 2.584 1.00 0.00 N ATOM 1297 CZ ARG A 81 78.491 7.674 3.255 1.00 0.00 C ATOM 1298 NH1 ARG A 81 78.487 7.927 4.535 1.00 0.00 N ATOM 1299 NH2 ARG A 81 77.371 7.426 2.635 1.00 0.00 N ATOM 0 H ARG A 81 83.222 9.451 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 81 80.473 9.070 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 81 81.831 10.438 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.126 10.677 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.862 8.124 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 81 81.524 8.006 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 81 81.032 9.231 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 81 79.439 9.679 2.038 1.00 0.00 H new ATOM 0 HE ARG A 81 80.144 6.788 2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 81 79.364 8.118 5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 81 77.607 7.933 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 81 77.375 7.226 1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 81 76.491 7.432 3.150 1.00 0.00 H new ATOM 1422 N ALA A 91 78.518 6.011 -9.347 1.00 0.00 N ATOM 1423 CA ALA A 91 78.345 6.298 -7.927 1.00 0.00 C ATOM 1424 C ALA A 91 77.158 7.232 -7.725 1.00 0.00 C ATOM 1425 O ALA A 91 76.489 7.611 -8.685 1.00 0.00 O ATOM 1426 CB ALA A 91 79.615 6.943 -7.364 1.00 0.00 C ATOM 0 HA ALA A 91 78.157 5.363 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 91 79.477 7.154 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.456 6.262 -7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 91 79.817 7.873 -7.895 1.00 0.00 H new ATOM 1432 N ASP A 92 76.898 7.593 -6.472 1.00 0.00 N ATOM 1433 CA ASP A 92 75.781 8.481 -6.154 1.00 0.00 C ATOM 1434 C ASP A 92 75.760 8.798 -4.662 1.00 0.00 C ATOM 1435 O ASP A 92 74.724 9.186 -4.118 1.00 0.00 O ATOM 1436 CB ASP A 92 74.456 7.813 -6.550 1.00 0.00 C ATOM 1437 CG ASP A 92 73.906 8.439 -7.829 1.00 0.00 C ATOM 1438 OD1 ASP A 92 73.577 9.611 -7.796 1.00 0.00 O ATOM 1439 OD2 ASP A 92 73.817 7.733 -8.822 1.00 0.00 O ATOM 0 H ASP A 92 77.441 7.288 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 92 75.906 9.409 -6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.610 6.744 -6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 92 73.731 7.922 -5.743 1.00 0.00 H new ATOM 1444 N GLU A 93 76.903 8.620 -4.000 1.00 0.00 N ATOM 1445 CA GLU A 93 76.990 8.877 -2.567 1.00 0.00 C ATOM 1446 C GLU A 93 75.941 8.039 -1.839 1.00 0.00 C ATOM 1447 O GLU A 93 75.060 8.570 -1.163 1.00 0.00 O ATOM 1448 CB GLU A 93 76.768 10.369 -2.285 1.00 0.00 C ATOM 1449 CG GLU A 93 77.295 10.717 -0.888 1.00 0.00 C ATOM 1450 CD GLU A 93 76.308 11.636 -0.172 1.00 0.00 C ATOM 1451 OE1 GLU A 93 75.348 11.125 0.380 1.00 0.00 O ATOM 1452 OE2 GLU A 93 76.527 12.836 -0.190 1.00 0.00 O ATOM 0 H GLU A 93 77.772 8.302 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 93 77.982 8.602 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.279 10.971 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.707 10.607 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 93 77.442 9.806 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 93 78.267 11.205 -0.968 1.00 0.00 H new ATOM 1459 N GLU A 94 76.055 6.719 -1.996 1.00 0.00 N ATOM 1460 CA GLU A 94 75.133 5.769 -1.377 1.00 0.00 C ATOM 1461 C GLU A 94 75.374 4.382 -1.971 1.00 0.00 C ATOM 1462 O GLU A 94 76.036 3.540 -1.363 1.00 0.00 O ATOM 1463 CB GLU A 94 73.675 6.194 -1.618 1.00 0.00 C ATOM 1464 CG GLU A 94 72.724 5.076 -1.176 1.00 0.00 C ATOM 1465 CD GLU A 94 71.304 5.621 -1.048 1.00 0.00 C ATOM 1466 OE1 GLU A 94 70.592 5.601 -2.038 1.00 0.00 O ATOM 1467 OE2 GLU A 94 70.951 6.051 0.038 1.00 0.00 O ATOM 0 H GLU A 94 76.787 6.281 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 94 75.310 5.748 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.458 7.108 -1.065 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.522 6.417 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.746 4.261 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 94 73.052 4.664 -0.222 1.00 0.00 H new ATOM 1474 N GLU A 95 74.813 4.150 -3.156 1.00 0.00 N ATOM 1475 CA GLU A 95 74.955 2.861 -3.832 1.00 0.00 C ATOM 1476 C GLU A 95 76.428 2.481 -4.011 1.00 0.00 C ATOM 1477 O GLU A 95 76.749 1.303 -4.168 1.00 0.00 O ATOM 1478 CB GLU A 95 74.268 2.910 -5.201 1.00 0.00 C ATOM 1479 CG GLU A 95 74.988 3.914 -6.110 1.00 0.00 C ATOM 1480 CD GLU A 95 74.406 3.858 -7.521 1.00 0.00 C ATOM 1481 OE1 GLU A 95 74.589 2.845 -8.177 1.00 0.00 O ATOM 1482 OE2 GLU A 95 73.786 4.828 -7.927 1.00 0.00 O ATOM 0 H GLU A 95 74.257 4.835 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 95 74.481 2.103 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.277 1.920 -5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 95 73.223 3.197 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 95 74.885 4.921 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 95 76.054 3.690 -6.139 1.00 0.00 H new ATOM 1489 N LEU A 96 77.312 3.484 -4.022 1.00 0.00 N ATOM 1490 CA LEU A 96 78.749 3.253 -4.216 1.00 0.00 C ATOM 1491 C LEU A 96 79.269 2.048 -3.422 1.00 0.00 C ATOM 1492 O LEU A 96 80.330 1.514 -3.740 1.00 0.00 O ATOM 1493 CB LEU A 96 79.540 4.519 -3.840 1.00 0.00 C ATOM 1494 CG LEU A 96 79.867 4.542 -2.337 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.727 5.770 -2.024 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.573 4.618 -1.524 1.00 0.00 C ATOM 0 H LEU A 96 77.058 4.464 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 96 78.898 3.024 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.464 4.559 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.961 5.405 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 96 80.407 3.632 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.960 5.789 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.653 5.722 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.181 6.674 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.812 4.634 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 96 78.030 5.526 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.954 3.748 -1.744 1.00 0.00 H new ATOM 1508 N ILE A 97 78.530 1.624 -2.399 1.00 0.00 N ATOM 1509 CA ILE A 97 78.951 0.481 -1.590 1.00 0.00 C ATOM 1510 C ILE A 97 78.388 -0.821 -2.162 1.00 0.00 C ATOM 1511 O ILE A 97 79.142 -1.734 -2.503 1.00 0.00 O ATOM 1512 CB ILE A 97 78.484 0.664 -0.138 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.524 1.489 0.632 1.00 0.00 C ATOM 1514 CG2 ILE A 97 78.319 -0.702 0.544 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.821 2.366 1.671 1.00 0.00 C ATOM 0 H ILE A 97 77.648 2.048 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 97 80.039 0.425 -1.610 1.00 0.00 H new ATOM 0 HB ILE A 97 77.524 1.181 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 97 80.236 0.826 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 97 80.092 2.112 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.988 -0.558 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.578 -1.291 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 97 79.274 -1.228 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.563 2.950 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.126 3.039 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.273 1.734 2.370 1.00 0.00 H new ATOM 1527 N ARG A 98 77.063 -0.902 -2.253 1.00 0.00 N ATOM 1528 CA ARG A 98 76.407 -2.101 -2.774 1.00 0.00 C ATOM 1529 C ARG A 98 76.814 -2.366 -4.220 1.00 0.00 C ATOM 1530 O ARG A 98 76.895 -3.519 -4.647 1.00 0.00 O ATOM 1531 CB ARG A 98 74.884 -1.949 -2.686 1.00 0.00 C ATOM 1532 CG ARG A 98 74.438 -0.716 -3.479 1.00 0.00 C ATOM 1533 CD ARG A 98 72.930 -0.508 -3.304 1.00 0.00 C ATOM 1534 NE ARG A 98 72.327 -0.103 -4.570 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.681 -0.978 -5.334 1.00 0.00 C ATOM 1536 NH1 ARG A 98 72.351 -1.829 -6.061 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.377 -0.987 -5.358 1.00 0.00 N ATOM 0 H ARG A 98 76.424 -0.157 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 98 76.723 -2.949 -2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 98 74.397 -2.841 -3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.579 -1.852 -1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.979 0.165 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.677 -0.844 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.467 -1.429 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.746 0.253 -2.545 1.00 0.00 H new ATOM 0 HE ARG A 98 72.403 0.868 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 98 73.371 -1.823 -6.043 1.00 0.00 H new ATOM 0 HH12 ARG A 98 71.855 -2.500 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 98 69.852 -0.322 -4.790 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.882 -1.659 -5.945 1.00 0.00 H new ATOM 1551 N LYS A 99 77.070 -1.297 -4.969 1.00 0.00 N ATOM 1552 CA LYS A 99 77.465 -1.437 -6.366 1.00 0.00 C ATOM 1553 C LYS A 99 78.952 -1.761 -6.472 1.00 0.00 C ATOM 1554 O LYS A 99 79.377 -2.443 -7.402 1.00 0.00 O ATOM 1555 CB LYS A 99 77.145 -0.150 -7.140 1.00 0.00 C ATOM 1556 CG LYS A 99 78.294 0.856 -7.000 1.00 0.00 C ATOM 1557 CD LYS A 99 78.024 2.071 -7.891 1.00 0.00 C ATOM 1558 CE LYS A 99 78.720 1.882 -9.244 1.00 0.00 C ATOM 1559 NZ LYS A 99 78.061 0.777 -9.996 1.00 0.00 N ATOM 0 H LYS A 99 77.012 -0.335 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 99 76.900 -2.260 -6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.982 -0.382 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 99 76.221 0.289 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.392 1.169 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 99 79.237 0.388 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.951 2.196 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.388 2.977 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.673 2.806 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 99 79.775 1.654 -9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 78.258 0.883 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 78.430 -0.137 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 77.034 0.813 -9.837 1.00 0.00 H new ATOM 1573 N ALA A 100 79.733 -1.299 -5.493 1.00 0.00 N ATOM 1574 CA ALA A 100 81.165 -1.577 -5.475 1.00 0.00 C ATOM 1575 C ALA A 100 81.379 -3.046 -5.155 1.00 0.00 C ATOM 1576 O ALA A 100 82.415 -3.626 -5.473 1.00 0.00 O ATOM 1577 CB ALA A 100 81.862 -0.718 -4.419 1.00 0.00 C ATOM 0 H ALA A 100 79.399 -0.736 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 100 81.588 -1.341 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.930 -0.937 -4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.708 0.336 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.445 -0.940 -3.437 1.00 0.00 H new ATOM 1583 N ILE A 101 80.368 -3.631 -4.524 1.00 0.00 N ATOM 1584 CA ILE A 101 80.398 -5.034 -4.148 1.00 0.00 C ATOM 1585 C ILE A 101 79.865 -5.899 -5.289 1.00 0.00 C ATOM 1586 O ILE A 101 80.249 -7.060 -5.432 1.00 0.00 O ATOM 1587 CB ILE A 101 79.530 -5.238 -2.898 1.00 0.00 C ATOM 1588 CG1 ILE A 101 80.262 -4.673 -1.673 1.00 0.00 C ATOM 1589 CG2 ILE A 101 79.250 -6.731 -2.692 1.00 0.00 C ATOM 1590 CD1 ILE A 101 79.244 -4.230 -0.618 1.00 0.00 C ATOM 0 H ILE A 101 79.510 -3.147 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 101 81.426 -5.327 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 101 78.582 -4.716 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.927 -5.429 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.885 -3.828 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 101 78.634 -6.866 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.725 -7.126 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 101 80.192 -7.264 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.769 -3.830 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 101 78.597 -3.460 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.640 -5.085 -0.314 1.00 0.00 H new ATOM 1602 N GLU A 102 78.941 -5.336 -6.065 1.00 0.00 N ATOM 1603 CA GLU A 102 78.307 -6.071 -7.159 1.00 0.00 C ATOM 1604 C GLU A 102 79.001 -5.890 -8.515 1.00 0.00 C ATOM 1605 O GLU A 102 78.673 -6.607 -9.461 1.00 0.00 O ATOM 1606 CB GLU A 102 76.846 -5.630 -7.282 1.00 0.00 C ATOM 1607 CG GLU A 102 75.952 -6.860 -7.444 1.00 0.00 C ATOM 1608 CD GLU A 102 74.488 -6.474 -7.246 1.00 0.00 C ATOM 1609 OE1 GLU A 102 74.069 -6.385 -6.103 1.00 0.00 O ATOM 1610 OE2 GLU A 102 73.809 -6.270 -8.239 1.00 0.00 O ATOM 0 H GLU A 102 78.615 -4.376 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 102 78.387 -7.129 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.550 -5.066 -6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.727 -4.966 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 102 76.091 -7.293 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.236 -7.624 -6.720 1.00 0.00 H new ATOM 1617 N LEU A 103 79.926 -4.937 -8.642 1.00 0.00 N ATOM 1618 CA LEU A 103 80.576 -4.741 -9.944 1.00 0.00 C ATOM 1619 C LEU A 103 81.925 -5.468 -10.061 1.00 0.00 C ATOM 1620 O LEU A 103 82.037 -6.431 -10.821 1.00 0.00 O ATOM 1621 CB LEU A 103 80.706 -3.242 -10.299 1.00 0.00 C ATOM 1622 CG LEU A 103 81.592 -2.480 -9.304 1.00 0.00 C ATOM 1623 CD1 LEU A 103 83.014 -2.361 -9.862 1.00 0.00 C ATOM 1624 CD2 LEU A 103 81.023 -1.068 -9.108 1.00 0.00 C ATOM 0 H LEU A 103 80.234 -4.312 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 103 79.918 -5.201 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 103 81.122 -3.144 -11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 103 79.715 -2.789 -10.320 1.00 0.00 H new ATOM 0 HG LEU A 103 81.613 -3.017 -8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 103 83.639 -1.819 -9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 103 83.426 -3.357 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 103 82.989 -1.822 -10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 103 81.647 -0.519 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 103 81.010 -0.545 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 103 80.007 -1.136 -8.718 1.00 0.00 H new ATOM 1636 N SER A 104 82.946 -5.008 -9.342 1.00 0.00 N ATOM 1637 CA SER A 104 84.273 -5.631 -9.424 1.00 0.00 C ATOM 1638 C SER A 104 84.545 -6.567 -8.256 1.00 0.00 C ATOM 1639 O SER A 104 85.549 -7.282 -8.251 1.00 0.00 O ATOM 1640 CB SER A 104 85.357 -4.553 -9.460 1.00 0.00 C ATOM 1641 OG SER A 104 85.366 -3.934 -10.739 1.00 0.00 O ATOM 0 H SER A 104 82.886 -4.216 -8.702 1.00 0.00 H new ATOM 0 HA SER A 104 84.291 -6.220 -10.341 1.00 0.00 H new ATOM 0 HB2 SER A 104 85.171 -3.809 -8.685 1.00 0.00 H new ATOM 0 HB3 SER A 104 86.331 -4.995 -9.251 1.00 0.00 H new ATOM 0 HG SER A 104 86.059 -3.242 -10.763 1.00 0.00 H new ATOM 1647 N LEU A 105 83.685 -6.532 -7.249 1.00 0.00 N ATOM 1648 CA LEU A 105 83.891 -7.354 -6.066 1.00 0.00 C ATOM 1649 C LEU A 105 83.168 -8.694 -6.157 1.00 0.00 C ATOM 1650 O LEU A 105 83.730 -9.725 -5.796 1.00 0.00 O ATOM 1651 CB LEU A 105 83.406 -6.585 -4.840 1.00 0.00 C ATOM 1652 CG LEU A 105 84.570 -5.812 -4.202 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.656 -6.787 -3.737 1.00 0.00 C ATOM 1654 CD2 LEU A 105 85.167 -4.837 -5.225 1.00 0.00 C ATOM 0 H LEU A 105 82.847 -5.951 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 105 84.956 -7.571 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.614 -5.893 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.978 -7.276 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 105 84.195 -5.256 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 105 86.477 -6.229 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 105 85.237 -7.474 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 105 86.028 -7.352 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.992 -4.291 -4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.533 -5.394 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.400 -4.133 -5.547 1.00 0.00 H new