USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 538 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 34 CYS SG : rot 130:sc= -2.61 USER MOD Set 1.2: A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.413 K(o=0.41,f=-5.2!) USER MOD Single : A 15 ASN : amide:sc= -1.69! C(o=-1.7!,f=-12!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1.1!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.184 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -25:sc= 1.67! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -75:sc= -4.34! USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= -0.835 (180deg=-0.944) USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= -0.283 (180deg=-1.27!) USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.09) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= -2.58! (180deg=-7.91!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 132:sc= -1.99! USER MOD Single : A 62 MET CE :methyl 177:sc= -0.902 (180deg=-0.983) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -106:sc= -2.2 (180deg=-5.02!) USER MOD Single : A 69 SER OG : rot 5:sc= 1.8 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -7.358 -1.718 6.385 1.00 0.00 N ATOM 144 CA ASN A 12 -8.223 -0.847 5.596 1.00 0.00 C ATOM 145 C ASN A 12 -7.398 0.264 4.949 1.00 0.00 C ATOM 146 O ASN A 12 -6.624 0.008 4.026 1.00 0.00 O ATOM 147 CB ASN A 12 -9.349 -0.245 6.454 1.00 0.00 C ATOM 148 CG ASN A 12 -8.821 0.175 7.822 1.00 0.00 C ATOM 149 OD1 ASN A 12 -8.338 1.295 7.985 1.00 0.00 O ATOM 150 ND2 ASN A 12 -8.883 -0.663 8.821 1.00 0.00 N ATOM 0 HA ASN A 12 -8.687 -1.450 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.779 0.617 5.945 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.149 -0.975 6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.531 -0.390 9.738 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.284 -1.591 8.684 1.00 0.00 H new ATOM 157 N LEU A 13 -7.562 1.495 5.437 1.00 0.00 N ATOM 158 CA LEU A 13 -6.820 2.641 4.895 1.00 0.00 C ATOM 159 C LEU A 13 -5.951 3.275 5.977 1.00 0.00 C ATOM 160 O LEU A 13 -6.206 3.108 7.170 1.00 0.00 O ATOM 161 CB LEU A 13 -7.790 3.700 4.352 1.00 0.00 C ATOM 162 CG LEU A 13 -8.942 3.033 3.594 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.952 4.101 3.170 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.397 2.327 2.348 1.00 0.00 C ATOM 0 H LEU A 13 -8.197 1.726 6.201 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.186 2.278 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.185 4.296 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.258 4.383 3.690 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.428 2.302 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.774 3.631 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.341 4.606 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.462 4.829 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.218 1.853 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.911 3.056 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.673 1.569 2.647 1.00 0.00 H new ATOM 176 N ALA A 14 -4.933 4.015 5.549 1.00 0.00 N ATOM 177 CA ALA A 14 -4.039 4.687 6.486 1.00 0.00 C ATOM 178 C ALA A 14 -4.651 6.012 6.927 1.00 0.00 C ATOM 179 O ALA A 14 -5.542 6.540 6.263 1.00 0.00 O ATOM 180 CB ALA A 14 -2.684 4.945 5.825 1.00 0.00 C ATOM 0 H ALA A 14 -4.707 4.164 4.566 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.897 4.047 7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.024 5.447 6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.239 3.996 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.822 5.576 4.947 1.00 0.00 H new ATOM 186 N ASN A 15 -4.175 6.543 8.048 1.00 0.00 N ATOM 187 CA ASN A 15 -4.691 7.810 8.565 1.00 0.00 C ATOM 188 C ASN A 15 -3.910 8.985 7.985 1.00 0.00 C ATOM 189 O ASN A 15 -4.362 9.639 7.044 1.00 0.00 O ATOM 190 CB ASN A 15 -4.593 7.826 10.093 1.00 0.00 C ATOM 191 CG ASN A 15 -3.251 7.254 10.537 1.00 0.00 C ATOM 192 OD1 ASN A 15 -2.418 6.901 9.701 1.00 0.00 O ATOM 193 ND2 ASN A 15 -2.988 7.140 11.811 1.00 0.00 N ATOM 0 H ASN A 15 -3.438 6.122 8.614 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.735 7.906 8.268 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.703 8.846 10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.407 7.242 10.524 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.092 6.758 12.115 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.678 7.433 12.502 1.00 0.00 H new ATOM 200 N ARG A 16 -2.742 9.252 8.553 1.00 0.00 N ATOM 201 CA ARG A 16 -1.912 10.354 8.087 1.00 0.00 C ATOM 202 C ARG A 16 -1.527 10.157 6.622 1.00 0.00 C ATOM 203 O ARG A 16 -2.393 9.962 5.769 1.00 0.00 O ATOM 204 CB ARG A 16 -0.656 10.455 8.955 1.00 0.00 C ATOM 205 CG ARG A 16 -1.041 10.256 10.426 1.00 0.00 C ATOM 206 CD ARG A 16 0.114 10.695 11.331 1.00 0.00 C ATOM 207 NE ARG A 16 -0.042 10.121 12.663 1.00 0.00 N ATOM 208 CZ ARG A 16 -1.025 10.509 13.469 1.00 0.00 C ATOM 209 NH1 ARG A 16 -1.871 11.421 13.075 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.142 9.979 14.656 1.00 0.00 N ATOM 0 H ARG A 16 -2.350 8.724 9.333 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.480 11.280 8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.071 9.702 8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.183 11.428 8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.936 10.833 10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.281 9.209 10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.064 10.378 10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.141 11.783 11.397 1.00 0.00 H new ATOM 0 HE ARG A 16 0.615 9.409 12.982 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.778 11.836 12.148 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.625 11.718 13.694 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.479 9.268 14.964 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.896 10.276 15.275 1.00 0.00 H new ATOM 224 N LYS A 17 -0.226 10.210 6.327 1.00 0.00 N ATOM 225 CA LYS A 17 0.251 10.037 4.953 1.00 0.00 C ATOM 226 C LYS A 17 1.571 9.269 4.924 1.00 0.00 C ATOM 227 O LYS A 17 1.923 8.585 5.884 1.00 0.00 O ATOM 228 CB LYS A 17 0.434 11.404 4.289 1.00 0.00 C ATOM 229 CG LYS A 17 1.461 12.231 5.072 1.00 0.00 C ATOM 230 CD LYS A 17 1.596 13.629 4.443 1.00 0.00 C ATOM 231 CE LYS A 17 2.565 13.584 3.255 1.00 0.00 C ATOM 232 NZ LYS A 17 2.779 14.966 2.738 1.00 0.00 N ATOM 0 H LYS A 17 0.510 10.370 7.014 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.494 9.461 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.766 11.276 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.519 11.931 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.152 12.319 6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.427 11.726 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.620 13.983 4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.956 14.338 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.515 13.148 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.163 12.947 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.436 14.937 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.870 15.366 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.181 15.560 3.491 1.00 0.00 H new ATOM 246 N ILE A 18 2.293 9.383 3.806 1.00 0.00 N ATOM 247 CA ILE A 18 3.576 8.694 3.637 1.00 0.00 C ATOM 248 C ILE A 18 4.611 9.674 3.050 1.00 0.00 C ATOM 249 O ILE A 18 4.298 10.383 2.094 1.00 0.00 O ATOM 250 CB ILE A 18 3.366 7.494 2.679 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.765 6.304 3.459 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.680 7.065 1.999 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.846 5.533 4.238 1.00 0.00 C ATOM 0 H ILE A 18 2.011 9.946 3.004 1.00 0.00 H new ATOM 0 HA ILE A 18 3.945 8.334 4.597 1.00 0.00 H new ATOM 0 HB ILE A 18 2.677 7.810 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.007 6.668 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.265 5.629 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.488 6.221 1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.079 7.898 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.404 6.772 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.386 4.703 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.590 5.147 3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.328 6.202 4.950 1.00 0.00 H new ATOM 265 N PRO A 19 5.823 9.745 3.575 1.00 0.00 N ATOM 266 CA PRO A 19 6.858 10.682 3.030 1.00 0.00 C ATOM 267 C PRO A 19 7.160 10.395 1.555 1.00 0.00 C ATOM 268 O PRO A 19 7.278 9.240 1.148 1.00 0.00 O ATOM 269 CB PRO A 19 8.089 10.441 3.929 1.00 0.00 C ATOM 270 CG PRO A 19 7.862 9.100 4.546 1.00 0.00 C ATOM 271 CD PRO A 19 6.357 8.972 4.717 1.00 0.00 C ATOM 0 HA PRO A 19 6.532 11.722 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.011 10.457 3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.179 11.216 4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.252 8.306 3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.373 9.020 5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.035 7.931 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.024 9.380 5.671 1.00 0.00 H new ATOM 279 N LEU A 20 7.265 11.460 0.761 1.00 0.00 N ATOM 280 CA LEU A 20 7.532 11.322 -0.671 1.00 0.00 C ATOM 281 C LEU A 20 8.970 10.862 -0.935 1.00 0.00 C ATOM 282 O LEU A 20 9.259 10.284 -1.984 1.00 0.00 O ATOM 283 CB LEU A 20 7.261 12.664 -1.384 1.00 0.00 C ATOM 284 CG LEU A 20 5.784 12.756 -1.790 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.900 12.588 -0.554 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.510 14.117 -2.432 1.00 0.00 C ATOM 0 H LEU A 20 7.170 12.423 1.082 1.00 0.00 H new ATOM 0 HA LEU A 20 6.864 10.558 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.517 13.493 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.895 12.751 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 20 5.559 11.966 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.852 12.654 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.090 11.616 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.127 13.375 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.460 14.179 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.738 14.909 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.136 14.235 -3.317 1.00 0.00 H new ATOM 298 N GLN A 21 9.869 11.140 0.001 1.00 0.00 N ATOM 299 CA GLN A 21 11.275 10.767 -0.167 1.00 0.00 C ATOM 300 C GLN A 21 11.477 9.249 -0.138 1.00 0.00 C ATOM 301 O GLN A 21 12.472 8.745 -0.659 1.00 0.00 O ATOM 302 CB GLN A 21 12.116 11.415 0.939 1.00 0.00 C ATOM 303 CG GLN A 21 11.416 11.235 2.286 1.00 0.00 C ATOM 304 CD GLN A 21 12.363 11.612 3.419 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.563 11.345 3.341 1.00 0.00 O ATOM 306 NE2 GLN A 21 11.895 12.219 4.475 1.00 0.00 N ATOM 0 H GLN A 21 9.657 11.617 0.877 1.00 0.00 H new ATOM 0 HA GLN A 21 11.595 11.126 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.107 10.962 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.256 12.475 0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.522 11.857 2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.091 10.201 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.901 12.439 4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.523 12.473 5.237 1.00 0.00 H new ATOM 315 N ARG A 22 10.551 8.522 0.487 1.00 0.00 N ATOM 316 CA ARG A 22 10.666 7.060 0.591 1.00 0.00 C ATOM 317 C ARG A 22 9.712 6.350 -0.369 1.00 0.00 C ATOM 318 O ARG A 22 10.000 5.250 -0.841 1.00 0.00 O ATOM 319 CB ARG A 22 10.367 6.638 2.034 1.00 0.00 C ATOM 320 CG ARG A 22 11.503 7.126 2.964 1.00 0.00 C ATOM 321 CD ARG A 22 10.953 7.458 4.362 1.00 0.00 C ATOM 322 NE ARG A 22 11.990 7.258 5.369 1.00 0.00 N ATOM 323 CZ ARG A 22 12.452 6.042 5.648 1.00 0.00 C ATOM 324 NH1 ARG A 22 11.975 5.001 5.023 1.00 0.00 N ATOM 325 NH2 ARG A 22 13.384 5.889 6.548 1.00 0.00 N ATOM 0 H ARG A 22 9.718 8.913 0.927 1.00 0.00 H new ATOM 0 HA ARG A 22 11.681 6.772 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.414 7.058 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.274 5.554 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.271 6.357 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.978 8.008 2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.604 8.490 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.094 6.825 4.583 1.00 0.00 H new ATOM 0 HE ARG A 22 12.367 8.064 5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.246 5.118 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.331 4.070 5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.758 6.702 7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.738 4.957 6.762 1.00 0.00 H new ATOM 339 N LEU A 23 8.583 6.982 -0.654 1.00 0.00 N ATOM 340 CA LEU A 23 7.594 6.403 -1.561 1.00 0.00 C ATOM 341 C LEU A 23 8.238 6.110 -2.918 1.00 0.00 C ATOM 342 O LEU A 23 9.024 6.909 -3.428 1.00 0.00 O ATOM 343 CB LEU A 23 6.406 7.390 -1.666 1.00 0.00 C ATOM 344 CG LEU A 23 5.622 7.290 -2.997 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.438 7.875 -4.179 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.183 5.829 -3.282 1.00 0.00 C ATOM 0 H LEU A 23 8.326 7.893 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 23 7.221 5.451 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.721 7.208 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.781 8.407 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 23 4.719 7.892 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.859 7.789 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.658 8.925 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.372 7.323 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.635 5.791 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.064 5.191 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.541 5.478 -2.474 1.00 0.00 H new ATOM 358 N GLU A 24 7.914 4.949 -3.492 1.00 0.00 N ATOM 359 CA GLU A 24 8.471 4.542 -4.790 1.00 0.00 C ATOM 360 C GLU A 24 7.399 4.593 -5.878 1.00 0.00 C ATOM 361 O GLU A 24 7.506 5.363 -6.832 1.00 0.00 O ATOM 362 CB GLU A 24 9.027 3.121 -4.689 1.00 0.00 C ATOM 363 CG GLU A 24 9.499 2.652 -6.068 1.00 0.00 C ATOM 364 CD GLU A 24 10.337 1.386 -5.930 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.917 0.497 -5.208 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.387 1.324 -6.550 1.00 0.00 O ATOM 0 H GLU A 24 7.270 4.273 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 24 9.271 5.233 -5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.856 3.094 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.260 2.447 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.639 2.461 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.086 3.436 -6.547 1.00 0.00 H new ATOM 373 N SER A 25 6.365 3.769 -5.721 1.00 0.00 N ATOM 374 CA SER A 25 5.271 3.723 -6.690 1.00 0.00 C ATOM 375 C SER A 25 4.001 3.193 -6.026 1.00 0.00 C ATOM 376 O SER A 25 4.066 2.520 -4.999 1.00 0.00 O ATOM 377 CB SER A 25 5.650 2.823 -7.865 1.00 0.00 C ATOM 378 OG SER A 25 4.475 2.468 -8.583 1.00 0.00 O ATOM 0 H SER A 25 6.261 3.126 -4.936 1.00 0.00 H new ATOM 0 HA SER A 25 5.087 4.733 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.350 3.339 -8.522 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.154 1.927 -7.504 1.00 0.00 H new ATOM 0 HG SER A 25 4.715 1.892 -9.339 1.00 0.00 H new ATOM 384 N TYR A 26 2.841 3.498 -6.616 1.00 0.00 N ATOM 385 CA TYR A 26 1.564 3.039 -6.060 1.00 0.00 C ATOM 386 C TYR A 26 1.089 1.770 -6.767 1.00 0.00 C ATOM 387 O TYR A 26 1.593 1.415 -7.833 1.00 0.00 O ATOM 388 CB TYR A 26 0.504 4.143 -6.186 1.00 0.00 C ATOM 389 CG TYR A 26 0.093 4.307 -7.627 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.844 5.123 -8.480 1.00 0.00 C ATOM 391 CD2 TYR A 26 -1.039 3.643 -8.109 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.463 5.276 -9.817 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.421 3.792 -9.446 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.670 4.611 -10.302 1.00 0.00 C ATOM 395 OH TYR A 26 -1.047 4.760 -11.620 1.00 0.00 O ATOM 0 H TYR A 26 2.759 4.053 -7.468 1.00 0.00 H new ATOM 0 HA TYR A 26 1.713 2.809 -5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.366 3.893 -5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.901 5.084 -5.804 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.718 5.635 -8.106 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.619 3.015 -7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.042 5.907 -10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.294 3.277 -9.819 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.853 4.230 -11.792 1.00 0.00 H new ATOM 405 N ARG A 27 0.126 1.082 -6.154 1.00 0.00 N ATOM 406 CA ARG A 27 -0.407 -0.161 -6.715 1.00 0.00 C ATOM 407 C ARG A 27 -1.871 -0.336 -6.306 1.00 0.00 C ATOM 408 O ARG A 27 -2.221 -0.174 -5.136 1.00 0.00 O ATOM 409 CB ARG A 27 0.449 -1.340 -6.215 1.00 0.00 C ATOM 410 CG ARG A 27 -0.226 -2.692 -6.491 1.00 0.00 C ATOM 411 CD ARG A 27 -0.449 -2.862 -7.991 1.00 0.00 C ATOM 412 NE ARG A 27 0.769 -2.529 -8.723 1.00 0.00 N ATOM 413 CZ ARG A 27 1.814 -3.348 -8.731 1.00 0.00 C ATOM 414 NH1 ARG A 27 1.764 -4.476 -8.074 1.00 0.00 N ATOM 415 NH2 ARG A 27 2.891 -3.028 -9.394 1.00 0.00 N ATOM 0 H ARG A 27 -0.301 1.363 -5.271 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.366 -0.127 -7.804 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.424 -1.314 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.625 -1.233 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.396 -3.503 -6.112 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.178 -2.748 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.743 -3.889 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.266 -2.220 -8.320 1.00 0.00 H new ATOM 0 HE ARG A 27 0.818 -1.650 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.922 -4.727 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.566 -5.106 -8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.931 -2.147 -9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.693 -3.658 -9.399 1.00 0.00 H new ATOM 429 N ARG A 28 -2.721 -0.660 -7.280 1.00 0.00 N ATOM 430 CA ARG A 28 -4.148 -0.848 -7.020 1.00 0.00 C ATOM 431 C ARG A 28 -4.426 -2.258 -6.496 1.00 0.00 C ATOM 432 O ARG A 28 -3.785 -3.225 -6.911 1.00 0.00 O ATOM 433 CB ARG A 28 -4.950 -0.581 -8.319 1.00 0.00 C ATOM 434 CG ARG A 28 -6.105 0.399 -8.052 1.00 0.00 C ATOM 435 CD ARG A 28 -6.952 0.544 -9.316 1.00 0.00 C ATOM 436 NE ARG A 28 -6.172 1.169 -10.378 1.00 0.00 N ATOM 437 CZ ARG A 28 -6.692 1.374 -11.584 1.00 0.00 C ATOM 438 NH1 ARG A 28 -7.920 1.011 -11.835 1.00 0.00 N ATOM 439 NH2 ARG A 28 -5.974 1.937 -12.516 1.00 0.00 N ATOM 0 H ARG A 28 -2.448 -0.797 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.463 -0.141 -6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.289 -0.172 -9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.345 -1.519 -8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.720 0.037 -7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.711 1.370 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.303 -0.435 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.836 1.145 -9.103 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.210 1.454 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.481 0.570 -11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.319 1.168 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.014 2.220 -12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.373 2.095 -13.442 1.00 0.00 H new ATOM 453 N ILE A 29 -5.397 -2.364 -5.586 1.00 0.00 N ATOM 454 CA ILE A 29 -5.777 -3.657 -5.003 1.00 0.00 C ATOM 455 C ILE A 29 -7.058 -4.156 -5.674 1.00 0.00 C ATOM 456 O ILE A 29 -7.040 -5.137 -6.417 1.00 0.00 O ATOM 457 CB ILE A 29 -5.981 -3.532 -3.459 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.493 -2.151 -2.980 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.188 -4.635 -2.735 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.746 -1.982 -1.478 1.00 0.00 C ATOM 0 H ILE A 29 -5.935 -1.572 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.975 -4.375 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.041 -3.642 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.429 -2.042 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.009 -1.365 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.335 -4.542 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.539 -5.612 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.128 -4.533 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.395 -1.001 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.814 -2.069 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.209 -2.756 -0.929 1.00 0.00 H new ATOM 472 N THR A 30 -8.162 -3.461 -5.412 1.00 0.00 N ATOM 473 CA THR A 30 -9.449 -3.824 -5.998 1.00 0.00 C ATOM 474 C THR A 30 -9.828 -5.259 -5.640 1.00 0.00 C ATOM 475 O THR A 30 -9.074 -6.196 -5.900 1.00 0.00 O ATOM 476 CB THR A 30 -9.396 -3.672 -7.528 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.995 -4.906 -8.106 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.391 -2.578 -7.919 1.00 0.00 C ATOM 0 H THR A 30 -8.191 -2.646 -4.800 1.00 0.00 H new ATOM 0 HA THR A 30 -10.206 -3.153 -5.592 1.00 0.00 H new ATOM 0 HB THR A 30 -10.384 -3.392 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.470 -5.417 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.363 -2.481 -9.004 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.696 -1.629 -7.477 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.400 -2.847 -7.553 1.00 0.00 H new ATOM 526 N CYS A 34 -8.984 -6.742 0.103 1.00 0.00 N ATOM 527 CA CYS A 34 -8.906 -5.400 0.669 1.00 0.00 C ATOM 528 C CYS A 34 -10.260 -4.696 0.528 1.00 0.00 C ATOM 529 O CYS A 34 -11.170 -5.224 -0.111 1.00 0.00 O ATOM 530 CB CYS A 34 -7.790 -4.603 -0.046 1.00 0.00 C ATOM 531 SG CYS A 34 -6.572 -4.004 1.158 1.00 0.00 S ATOM 0 HA CYS A 34 -8.664 -5.461 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.299 -5.235 -0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.224 -3.760 -0.584 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.376 -4.316 0.757 1.00 0.00 H new ATOM 536 N PRO A 35 -10.410 -3.526 1.099 1.00 0.00 N ATOM 537 CA PRO A 35 -11.689 -2.759 1.012 1.00 0.00 C ATOM 538 C PRO A 35 -12.075 -2.482 -0.442 1.00 0.00 C ATOM 539 O PRO A 35 -11.848 -3.312 -1.323 1.00 0.00 O ATOM 540 CB PRO A 35 -11.393 -1.450 1.774 1.00 0.00 C ATOM 541 CG PRO A 35 -10.206 -1.750 2.632 1.00 0.00 C ATOM 542 CD PRO A 35 -9.393 -2.802 1.884 1.00 0.00 C ATOM 0 HA PRO A 35 -12.532 -3.306 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.183 -0.633 1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.248 -1.145 2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.614 -0.851 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.516 -2.120 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.640 -2.346 1.242 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.867 -3.466 2.570 1.00 0.00 H new ATOM 550 N GLN A 36 -12.643 -1.308 -0.688 1.00 0.00 N ATOM 551 CA GLN A 36 -13.036 -0.934 -2.040 1.00 0.00 C ATOM 552 C GLN A 36 -11.801 -0.566 -2.856 1.00 0.00 C ATOM 553 O GLN A 36 -10.693 -0.502 -2.324 1.00 0.00 O ATOM 554 CB GLN A 36 -13.998 0.255 -1.998 1.00 0.00 C ATOM 555 CG GLN A 36 -13.340 1.419 -1.256 1.00 0.00 C ATOM 556 CD GLN A 36 -14.318 2.583 -1.140 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.538 3.310 -2.110 1.00 0.00 O ATOM 558 NE2 GLN A 36 -14.921 2.807 -0.005 1.00 0.00 N ATOM 0 H GLN A 36 -12.840 -0.605 0.024 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.537 -1.781 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.262 0.559 -3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.924 -0.031 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.026 1.097 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.443 1.738 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.738 2.204 0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.575 3.585 0.080 1.00 0.00 H new ATOM 567 N LYS A 37 -11.994 -0.322 -4.147 1.00 0.00 N ATOM 568 CA LYS A 37 -10.881 0.040 -5.020 1.00 0.00 C ATOM 569 C LYS A 37 -9.995 1.086 -4.342 1.00 0.00 C ATOM 570 O LYS A 37 -10.447 2.187 -4.030 1.00 0.00 O ATOM 571 CB LYS A 37 -11.427 0.589 -6.348 1.00 0.00 C ATOM 572 CG LYS A 37 -10.385 0.418 -7.459 1.00 0.00 C ATOM 573 CD LYS A 37 -10.779 1.265 -8.673 1.00 0.00 C ATOM 574 CE LYS A 37 -12.223 0.955 -9.077 1.00 0.00 C ATOM 575 NZ LYS A 37 -12.464 1.439 -10.466 1.00 0.00 N ATOM 0 H LYS A 37 -12.902 -0.367 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.279 -0.847 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.345 0.066 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.682 1.643 -6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.402 0.719 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.312 -0.632 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.677 2.324 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.107 1.058 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.407 -0.118 -9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.916 1.436 -8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.445 1.229 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.305 2.466 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.811 0.960 -11.119 1.00 0.00 H new ATOM 589 N ALA A 38 -8.731 0.730 -4.106 1.00 0.00 N ATOM 590 CA ALA A 38 -7.790 1.643 -3.450 1.00 0.00 C ATOM 591 C ALA A 38 -6.383 1.479 -4.020 1.00 0.00 C ATOM 592 O ALA A 38 -6.125 0.564 -4.798 1.00 0.00 O ATOM 593 CB ALA A 38 -7.776 1.369 -1.941 1.00 0.00 C ATOM 0 H ALA A 38 -8.336 -0.177 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.115 2.667 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.076 2.048 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.775 1.524 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.467 0.339 -1.761 1.00 0.00 H new ATOM 599 N VAL A 39 -5.474 2.378 -3.624 1.00 0.00 N ATOM 600 CA VAL A 39 -4.084 2.332 -4.092 1.00 0.00 C ATOM 601 C VAL A 39 -3.149 1.977 -2.940 1.00 0.00 C ATOM 602 O VAL A 39 -3.489 2.167 -1.772 1.00 0.00 O ATOM 603 CB VAL A 39 -3.689 3.675 -4.712 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.729 4.076 -5.765 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.617 4.753 -3.629 1.00 0.00 C ATOM 0 H VAL A 39 -5.676 3.145 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.997 1.560 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.710 3.577 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.449 5.032 -6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.771 3.314 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.708 4.167 -5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.335 5.704 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.591 4.853 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.873 4.471 -2.884 1.00 0.00 H new ATOM 615 N ILE A 40 -1.976 1.431 -3.275 1.00 0.00 N ATOM 616 CA ILE A 40 -0.999 1.014 -2.260 1.00 0.00 C ATOM 617 C ILE A 40 0.364 1.665 -2.495 1.00 0.00 C ATOM 618 O ILE A 40 1.110 1.251 -3.381 1.00 0.00 O ATOM 619 CB ILE A 40 -0.859 -0.520 -2.310 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.089 -1.163 -1.665 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.403 -0.985 -1.567 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.152 -2.642 -2.051 1.00 0.00 C ATOM 0 H ILE A 40 -1.679 1.267 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.354 1.333 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.778 -0.823 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.040 -1.061 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.994 -0.652 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.476 -2.071 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.283 -0.540 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.346 -0.674 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.028 -3.101 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.221 -2.732 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.252 -3.148 -1.701 1.00 0.00 H new ATOM 634 N PHE A 41 0.701 2.660 -1.673 1.00 0.00 N ATOM 635 CA PHE A 41 1.998 3.321 -1.793 1.00 0.00 C ATOM 636 C PHE A 41 3.056 2.485 -1.081 1.00 0.00 C ATOM 637 O PHE A 41 2.962 2.250 0.123 1.00 0.00 O ATOM 638 CB PHE A 41 1.957 4.717 -1.169 1.00 0.00 C ATOM 639 CG PHE A 41 0.869 5.540 -1.820 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.987 5.932 -3.161 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.249 5.930 -1.076 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.013 6.709 -3.755 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.244 6.711 -1.666 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.128 7.101 -3.007 1.00 0.00 C ATOM 0 H PHE A 41 0.104 3.020 -0.929 1.00 0.00 H new ATOM 0 HA PHE A 41 2.242 3.418 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.775 4.640 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.921 5.209 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.851 5.634 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.343 5.627 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.076 7.006 -4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.104 7.015 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.899 7.704 -3.463 1.00 0.00 H new ATOM 654 N LYS A 42 4.059 2.031 -1.829 1.00 0.00 N ATOM 655 CA LYS A 42 5.126 1.211 -1.254 1.00 0.00 C ATOM 656 C LYS A 42 6.381 2.045 -1.023 1.00 0.00 C ATOM 657 O LYS A 42 6.661 2.986 -1.766 1.00 0.00 O ATOM 658 CB LYS A 42 5.443 0.036 -2.190 1.00 0.00 C ATOM 659 CG LYS A 42 6.193 0.535 -3.431 1.00 0.00 C ATOM 660 CD LYS A 42 6.086 -0.502 -4.555 1.00 0.00 C ATOM 661 CE LYS A 42 6.533 -1.870 -4.036 1.00 0.00 C ATOM 662 NZ LYS A 42 6.782 -2.782 -5.189 1.00 0.00 N ATOM 0 H LYS A 42 4.157 2.214 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 42 4.787 0.825 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.046 -0.704 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.519 -0.460 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.776 1.487 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.240 0.713 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.059 -0.557 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.706 -0.202 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.439 -1.766 -3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.768 -2.291 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.086 -3.712 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.907 -2.890 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.527 -2.381 -5.794 1.00 0.00 H new ATOM 676 N THR A 43 7.133 1.689 0.014 1.00 0.00 N ATOM 677 CA THR A 43 8.363 2.404 0.347 1.00 0.00 C ATOM 678 C THR A 43 9.358 1.447 1.001 1.00 0.00 C ATOM 679 O THR A 43 8.987 0.358 1.442 1.00 0.00 O ATOM 680 CB THR A 43 8.065 3.591 1.296 1.00 0.00 C ATOM 681 OG1 THR A 43 8.962 3.562 2.398 1.00 0.00 O ATOM 682 CG2 THR A 43 6.623 3.511 1.818 1.00 0.00 C ATOM 0 H THR A 43 6.914 0.912 0.637 1.00 0.00 H new ATOM 0 HA THR A 43 8.796 2.799 -0.572 1.00 0.00 H new ATOM 0 HB THR A 43 8.193 4.520 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.695 2.852 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.430 4.352 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.929 3.546 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.485 2.578 2.364 1.00 0.00 H new ATOM 690 N LYS A 44 10.619 1.858 1.058 1.00 0.00 N ATOM 691 CA LYS A 44 11.657 1.027 1.659 1.00 0.00 C ATOM 692 C LYS A 44 11.520 1.009 3.178 1.00 0.00 C ATOM 693 O LYS A 44 12.515 0.945 3.899 1.00 0.00 O ATOM 694 CB LYS A 44 13.038 1.561 1.276 1.00 0.00 C ATOM 695 CG LYS A 44 13.174 3.011 1.746 1.00 0.00 C ATOM 696 CD LYS A 44 14.503 3.585 1.254 1.00 0.00 C ATOM 697 CE LYS A 44 14.633 5.039 1.713 1.00 0.00 C ATOM 698 NZ LYS A 44 14.660 5.090 3.202 1.00 0.00 N ATOM 0 H LYS A 44 10.947 2.755 0.699 1.00 0.00 H new ATOM 0 HA LYS A 44 11.543 0.010 1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.816 0.946 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.175 1.503 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.345 3.607 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.126 3.058 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.332 2.994 1.643 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.555 3.530 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.544 5.480 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.798 5.627 1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.950 6.040 3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.712 4.879 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.337 4.387 3.561 1.00 0.00 H new ATOM 712 N LEU A 45 10.280 1.064 3.659 1.00 0.00 N ATOM 713 CA LEU A 45 10.028 1.053 5.097 1.00 0.00 C ATOM 714 C LEU A 45 10.182 -0.371 5.642 1.00 0.00 C ATOM 715 O LEU A 45 11.233 -0.730 6.173 1.00 0.00 O ATOM 716 CB LEU A 45 8.600 1.600 5.380 1.00 0.00 C ATOM 717 CG LEU A 45 8.637 2.982 6.076 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.438 2.916 7.396 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.241 4.038 5.130 1.00 0.00 C ATOM 0 H LEU A 45 9.442 1.116 3.080 1.00 0.00 H new ATOM 0 HA LEU A 45 10.753 1.693 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.050 1.681 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.058 0.892 6.007 1.00 0.00 H new ATOM 0 HG LEU A 45 7.614 3.271 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.449 3.900 7.865 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.970 2.198 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.461 2.603 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.262 5.006 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.256 3.747 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.633 4.109 4.228 1.00 0.00 H new ATOM 731 N ALA A 46 9.130 -1.172 5.510 1.00 0.00 N ATOM 732 CA ALA A 46 9.165 -2.547 5.996 1.00 0.00 C ATOM 733 C ALA A 46 7.918 -3.310 5.557 1.00 0.00 C ATOM 734 O ALA A 46 7.840 -4.529 5.712 1.00 0.00 O ATOM 735 CB ALA A 46 9.259 -2.555 7.524 1.00 0.00 C ATOM 0 H ALA A 46 8.250 -0.896 5.075 1.00 0.00 H new ATOM 0 HA ALA A 46 10.041 -3.038 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.285 -3.584 7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.168 -2.040 7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.391 -2.046 7.945 1.00 0.00 H new ATOM 741 N LYS A 47 6.944 -2.587 5.010 1.00 0.00 N ATOM 742 CA LYS A 47 5.707 -3.216 4.556 1.00 0.00 C ATOM 743 C LYS A 47 4.949 -2.290 3.603 1.00 0.00 C ATOM 744 O LYS A 47 5.378 -1.165 3.342 1.00 0.00 O ATOM 745 CB LYS A 47 4.825 -3.570 5.765 1.00 0.00 C ATOM 746 CG LYS A 47 4.973 -2.496 6.847 1.00 0.00 C ATOM 747 CD LYS A 47 4.648 -1.119 6.262 1.00 0.00 C ATOM 748 CE LYS A 47 4.400 -0.124 7.397 1.00 0.00 C ATOM 749 NZ LYS A 47 3.258 -0.595 8.231 1.00 0.00 N ATOM 0 H LYS A 47 6.986 -1.577 4.871 1.00 0.00 H new ATOM 0 HA LYS A 47 5.959 -4.130 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.782 -3.647 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.112 -4.543 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.306 -2.713 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.989 -2.503 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.472 -0.775 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.768 -1.183 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.296 -0.025 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.183 0.863 6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.745 0.225 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.614 -1.166 7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.617 -1.174 9.017 1.00 0.00 H new ATOM 763 N ASP A 48 3.823 -2.776 3.085 1.00 0.00 N ATOM 764 CA ASP A 48 3.006 -1.992 2.159 1.00 0.00 C ATOM 765 C ASP A 48 1.994 -1.143 2.921 1.00 0.00 C ATOM 766 O ASP A 48 1.546 -1.514 4.006 1.00 0.00 O ATOM 767 CB ASP A 48 2.267 -2.926 1.199 1.00 0.00 C ATOM 768 CG ASP A 48 1.539 -4.011 1.984 1.00 0.00 C ATOM 769 OD1 ASP A 48 2.179 -4.655 2.798 1.00 0.00 O ATOM 770 OD2 ASP A 48 0.352 -4.182 1.759 1.00 0.00 O ATOM 0 H ASP A 48 3.456 -3.705 3.289 1.00 0.00 H new ATOM 0 HA ASP A 48 3.664 -1.332 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.554 -2.357 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.974 -3.380 0.504 1.00 0.00 H new ATOM 775 N ILE A 49 1.636 0.002 2.340 1.00 0.00 N ATOM 776 CA ILE A 49 0.671 0.917 2.955 1.00 0.00 C ATOM 777 C ILE A 49 -0.563 1.042 2.067 1.00 0.00 C ATOM 778 O ILE A 49 -0.451 1.057 0.846 1.00 0.00 O ATOM 779 CB ILE A 49 1.313 2.298 3.142 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.592 2.178 4.015 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.305 3.227 3.825 1.00 0.00 C ATOM 782 CD1 ILE A 49 3.832 1.964 3.134 1.00 0.00 C ATOM 0 H ILE A 49 2.000 0.320 1.442 1.00 0.00 H new ATOM 0 HA ILE A 49 0.375 0.522 3.927 1.00 0.00 H new ATOM 0 HB ILE A 49 1.591 2.705 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.716 3.081 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.486 1.346 4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.752 4.211 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.586 3.317 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.030 2.815 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.717 1.883 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.713 1.048 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.947 2.809 2.456 1.00 0.00 H new ATOM 794 N CYS A 50 -1.743 1.124 2.681 1.00 0.00 N ATOM 795 CA CYS A 50 -2.992 1.234 1.921 1.00 0.00 C ATOM 796 C CYS A 50 -3.464 2.685 1.888 1.00 0.00 C ATOM 797 O CYS A 50 -3.012 3.510 2.681 1.00 0.00 O ATOM 798 CB CYS A 50 -4.076 0.365 2.566 1.00 0.00 C ATOM 799 SG CYS A 50 -3.649 -1.393 2.404 1.00 0.00 S ATOM 0 H CYS A 50 -1.862 1.117 3.694 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.809 0.892 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.182 0.625 3.619 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.038 0.558 2.091 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.573 -2.117 2.963 1.00 0.00 H new ATOM 804 N ALA A 51 -4.367 2.996 0.959 1.00 0.00 N ATOM 805 CA ALA A 51 -4.872 4.360 0.836 1.00 0.00 C ATOM 806 C ALA A 51 -5.970 4.442 -0.230 1.00 0.00 C ATOM 807 O ALA A 51 -5.841 3.874 -1.312 1.00 0.00 O ATOM 808 CB ALA A 51 -3.706 5.298 0.473 1.00 0.00 C ATOM 0 H ALA A 51 -4.758 2.332 0.290 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.307 4.665 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.076 6.319 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.949 5.257 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.267 4.983 -0.474 1.00 0.00 H new ATOM 814 N ASP A 52 -7.046 5.163 0.088 1.00 0.00 N ATOM 815 CA ASP A 52 -8.170 5.331 -0.839 1.00 0.00 C ATOM 816 C ASP A 52 -8.049 6.671 -1.590 1.00 0.00 C ATOM 817 O ASP A 52 -7.703 7.681 -0.977 1.00 0.00 O ATOM 818 CB ASP A 52 -9.480 5.315 -0.046 1.00 0.00 C ATOM 819 CG ASP A 52 -10.669 5.498 -0.983 1.00 0.00 C ATOM 820 OD1 ASP A 52 -11.091 4.515 -1.570 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.139 6.617 -1.099 1.00 0.00 O ATOM 0 H ASP A 52 -7.164 5.641 0.981 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.159 4.517 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.575 4.372 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.471 6.109 0.700 1.00 0.00 H new ATOM 826 N PRO A 53 -8.318 6.716 -2.884 1.00 0.00 N ATOM 827 CA PRO A 53 -8.214 7.986 -3.675 1.00 0.00 C ATOM 828 C PRO A 53 -9.234 9.034 -3.230 1.00 0.00 C ATOM 829 O PRO A 53 -10.114 9.428 -3.991 1.00 0.00 O ATOM 830 CB PRO A 53 -8.444 7.538 -5.130 1.00 0.00 C ATOM 831 CG PRO A 53 -9.219 6.267 -5.025 1.00 0.00 C ATOM 832 CD PRO A 53 -8.747 5.590 -3.739 1.00 0.00 C ATOM 0 HA PRO A 53 -7.251 8.478 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.996 8.291 -5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.498 7.382 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.290 6.465 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.040 5.629 -5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.547 5.016 -3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.927 4.897 -3.929 1.00 0.00 H new ATOM 840 N LYS A 54 -9.087 9.490 -1.987 1.00 0.00 N ATOM 841 CA LYS A 54 -9.974 10.507 -1.420 1.00 0.00 C ATOM 842 C LYS A 54 -9.126 11.518 -0.647 1.00 0.00 C ATOM 843 O LYS A 54 -9.113 12.707 -0.967 1.00 0.00 O ATOM 844 CB LYS A 54 -11.009 9.832 -0.481 1.00 0.00 C ATOM 845 CG LYS A 54 -12.424 9.870 -1.092 1.00 0.00 C ATOM 846 CD LYS A 54 -12.434 9.178 -2.474 1.00 0.00 C ATOM 847 CE LYS A 54 -13.792 8.512 -2.726 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.858 9.552 -2.759 1.00 0.00 N ATOM 0 H LYS A 54 -8.358 9.170 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.516 11.021 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.717 8.798 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.013 10.339 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.128 9.373 -0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.755 10.903 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.229 9.909 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.641 8.432 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.772 7.967 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.003 7.785 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.754 9.121 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.974 9.960 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.591 10.302 -3.428 1.00 0.00 H new ATOM 862 N LYS A 55 -8.412 11.029 0.360 1.00 0.00 N ATOM 863 CA LYS A 55 -7.551 11.892 1.161 1.00 0.00 C ATOM 864 C LYS A 55 -6.587 12.639 0.231 1.00 0.00 C ATOM 865 O LYS A 55 -6.234 12.142 -0.835 1.00 0.00 O ATOM 866 CB LYS A 55 -6.786 11.064 2.234 1.00 0.00 C ATOM 867 CG LYS A 55 -7.214 9.590 2.160 1.00 0.00 C ATOM 868 CD LYS A 55 -6.414 8.741 3.159 1.00 0.00 C ATOM 869 CE LYS A 55 -6.562 9.297 4.583 1.00 0.00 C ATOM 870 NZ LYS A 55 -5.570 10.390 4.796 1.00 0.00 N ATOM 0 H LYS A 55 -8.411 10.048 0.640 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.159 12.622 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.711 11.148 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.991 11.462 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.279 9.504 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.060 9.212 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.763 7.709 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.362 8.731 2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.573 9.675 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.406 8.503 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.867 10.089 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.090 10.603 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.060 11.242 5.137 1.00 0.00 H new ATOM 884 N LYS A 56 -6.206 13.847 0.626 1.00 0.00 N ATOM 885 CA LYS A 56 -5.328 14.680 -0.196 1.00 0.00 C ATOM 886 C LYS A 56 -3.976 14.025 -0.496 1.00 0.00 C ATOM 887 O LYS A 56 -3.580 13.927 -1.657 1.00 0.00 O ATOM 888 CB LYS A 56 -5.099 16.030 0.502 1.00 0.00 C ATOM 889 CG LYS A 56 -4.281 16.986 -0.408 1.00 0.00 C ATOM 890 CD LYS A 56 -2.796 16.993 0.006 1.00 0.00 C ATOM 891 CE LYS A 56 -2.582 17.961 1.176 1.00 0.00 C ATOM 892 NZ LYS A 56 -1.135 18.003 1.526 1.00 0.00 N ATOM 0 H LYS A 56 -6.489 14.274 1.508 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.831 14.818 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.058 16.486 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.570 15.874 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.372 16.673 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.687 17.995 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.485 15.988 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.176 17.289 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.931 18.958 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.167 17.641 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.989 18.659 2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.816 17.052 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.588 18.327 0.703 1.00 0.00 H new ATOM 906 N TRP A 57 -3.249 13.617 0.541 1.00 0.00 N ATOM 907 CA TRP A 57 -1.927 13.025 0.331 1.00 0.00 C ATOM 908 C TRP A 57 -1.985 11.827 -0.613 1.00 0.00 C ATOM 909 O TRP A 57 -0.975 11.458 -1.214 1.00 0.00 O ATOM 910 CB TRP A 57 -1.302 12.610 1.668 1.00 0.00 C ATOM 911 CG TRP A 57 -1.952 11.367 2.190 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.087 11.337 2.924 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.523 9.980 2.041 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.381 10.023 3.237 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.449 9.149 2.713 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.431 9.366 1.394 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.301 7.762 2.744 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.278 7.971 1.423 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.212 7.170 2.097 1.00 0.00 C ATOM 0 H TRP A 57 -3.543 13.682 1.516 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.302 13.788 -0.134 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.233 12.441 1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.412 13.416 2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.669 12.198 3.218 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.189 9.734 3.788 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.293 9.974 0.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.023 7.150 3.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.563 7.512 0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.090 6.097 2.116 1.00 0.00 H new ATOM 930 N VAL A 58 -3.158 11.221 -0.749 1.00 0.00 N ATOM 931 CA VAL A 58 -3.295 10.072 -1.635 1.00 0.00 C ATOM 932 C VAL A 58 -3.289 10.521 -3.088 1.00 0.00 C ATOM 933 O VAL A 58 -2.498 10.034 -3.887 1.00 0.00 O ATOM 934 CB VAL A 58 -4.594 9.319 -1.331 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.789 8.178 -2.340 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.523 8.742 0.084 1.00 0.00 C ATOM 0 H VAL A 58 -4.013 11.499 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.450 9.405 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.435 10.008 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.715 7.648 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.841 8.589 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.950 7.486 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.446 8.205 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.678 8.057 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.394 9.552 0.801 1.00 0.00 H new ATOM 946 N GLN A 59 -4.175 11.449 -3.422 1.00 0.00 N ATOM 947 CA GLN A 59 -4.256 11.947 -4.789 1.00 0.00 C ATOM 948 C GLN A 59 -2.983 12.709 -5.158 1.00 0.00 C ATOM 949 O GLN A 59 -2.551 12.698 -6.310 1.00 0.00 O ATOM 950 CB GLN A 59 -5.487 12.859 -4.951 1.00 0.00 C ATOM 951 CG GLN A 59 -6.635 12.366 -4.050 1.00 0.00 C ATOM 952 CD GLN A 59 -7.985 12.792 -4.626 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.401 13.938 -4.453 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.695 11.934 -5.304 1.00 0.00 N ATOM 0 H GLN A 59 -4.841 11.869 -2.774 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.357 11.096 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.226 13.885 -4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.809 12.866 -5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.596 11.280 -3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.517 12.771 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.349 10.985 -5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.597 12.212 -5.692 1.00 0.00 H new ATOM 963 N ASP A 60 -2.396 13.378 -4.170 1.00 0.00 N ATOM 964 CA ASP A 60 -1.182 14.156 -4.398 1.00 0.00 C ATOM 965 C ASP A 60 0.048 13.256 -4.517 1.00 0.00 C ATOM 966 O ASP A 60 1.023 13.613 -5.178 1.00 0.00 O ATOM 967 CB ASP A 60 -0.980 15.141 -3.238 1.00 0.00 C ATOM 968 CG ASP A 60 -0.032 16.262 -3.657 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.418 17.055 -4.499 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.067 16.308 -3.130 1.00 0.00 O ATOM 0 H ASP A 60 -2.738 13.398 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.300 14.697 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.940 15.560 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.575 14.617 -2.373 1.00 0.00 H new ATOM 975 N SER A 61 0.008 12.100 -3.862 1.00 0.00 N ATOM 976 CA SER A 61 1.143 11.180 -3.893 1.00 0.00 C ATOM 977 C SER A 61 1.328 10.561 -5.281 1.00 0.00 C ATOM 978 O SER A 61 2.428 10.593 -5.834 1.00 0.00 O ATOM 979 CB SER A 61 0.944 10.072 -2.855 1.00 0.00 C ATOM 980 OG SER A 61 -0.398 9.613 -2.911 1.00 0.00 O ATOM 0 H SER A 61 -0.787 11.779 -3.309 1.00 0.00 H new ATOM 0 HA SER A 61 2.041 11.750 -3.656 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.631 9.248 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.171 10.447 -1.857 1.00 0.00 H new ATOM 0 HG SER A 61 -0.408 8.633 -2.940 1.00 0.00 H new ATOM 986 N MET A 62 0.261 9.995 -5.839 1.00 0.00 N ATOM 987 CA MET A 62 0.354 9.375 -7.159 1.00 0.00 C ATOM 988 C MET A 62 0.534 10.437 -8.238 1.00 0.00 C ATOM 989 O MET A 62 1.214 10.209 -9.238 1.00 0.00 O ATOM 990 CB MET A 62 -0.894 8.539 -7.455 1.00 0.00 C ATOM 991 CG MET A 62 -2.147 9.362 -7.168 1.00 0.00 C ATOM 992 SD MET A 62 -3.597 8.520 -7.850 1.00 0.00 S ATOM 993 CE MET A 62 -4.054 7.600 -6.360 1.00 0.00 C ATOM 0 H MET A 62 -0.662 9.952 -5.408 1.00 0.00 H new ATOM 0 HA MET A 62 1.224 8.718 -7.162 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.889 8.218 -8.497 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.892 7.637 -6.843 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.266 9.499 -6.093 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.051 10.355 -7.607 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.972 7.042 -6.544 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.254 6.907 -6.101 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.211 8.296 -5.536 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.072 11.602 -8.029 1.00 0.00 N ATOM 1004 CA LYS A 63 0.043 12.688 -8.993 1.00 0.00 C ATOM 1005 C LYS A 63 1.501 13.117 -9.097 1.00 0.00 C ATOM 1006 O LYS A 63 2.008 13.391 -10.184 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.826 13.872 -8.555 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.593 15.083 -9.474 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.793 14.679 -10.943 1.00 0.00 C ATOM 1010 CE LYS A 63 -1.052 15.924 -11.794 1.00 0.00 C ATOM 1011 NZ LYS A 63 -1.340 15.515 -13.198 1.00 0.00 N ATOM 0 H LYS A 63 -0.641 11.816 -7.210 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.302 12.346 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.878 13.587 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.592 14.140 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.283 15.885 -9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.416 15.470 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.090 14.155 -11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.632 13.988 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.893 16.487 -11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.184 16.583 -11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.516 16.361 -13.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.525 14.996 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.180 14.902 -13.216 1.00 0.00 H new ATOM 1025 N TYR A 64 2.168 13.154 -7.950 1.00 0.00 N ATOM 1026 CA TYR A 64 3.573 13.530 -7.901 1.00 0.00 C ATOM 1027 C TYR A 64 4.395 12.508 -8.693 1.00 0.00 C ATOM 1028 O TYR A 64 5.392 12.852 -9.327 1.00 0.00 O ATOM 1029 CB TYR A 64 4.015 13.614 -6.416 1.00 0.00 C ATOM 1030 CG TYR A 64 5.389 13.003 -6.197 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.481 13.454 -6.947 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.565 11.990 -5.244 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.747 12.894 -6.746 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.831 11.431 -5.043 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.923 11.883 -5.793 1.00 0.00 C ATOM 1036 OH TYR A 64 9.172 11.330 -5.594 1.00 0.00 O ATOM 0 H TYR A 64 1.758 12.928 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 64 3.735 14.507 -8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.027 14.657 -6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.285 13.100 -5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.346 14.235 -7.681 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.723 11.641 -4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.589 13.241 -7.326 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.966 10.650 -4.309 1.00 0.00 H new ATOM 0 HH TYR A 64 9.118 10.643 -4.897 1.00 0.00 H new ATOM 1046 N LEU A 65 3.957 11.254 -8.654 1.00 0.00 N ATOM 1047 CA LEU A 65 4.644 10.189 -9.373 1.00 0.00 C ATOM 1048 C LEU A 65 4.377 10.310 -10.870 1.00 0.00 C ATOM 1049 O LEU A 65 5.113 9.764 -11.691 1.00 0.00 O ATOM 1050 CB LEU A 65 4.168 8.819 -8.857 1.00 0.00 C ATOM 1051 CG LEU A 65 4.909 8.460 -7.546 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.035 7.538 -6.680 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.236 7.751 -7.879 1.00 0.00 C ATOM 0 H LEU A 65 3.133 10.952 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 65 5.717 10.278 -9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.092 8.841 -8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.353 8.053 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 65 5.115 9.376 -6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.566 7.292 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.102 8.045 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.817 6.622 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.756 7.499 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.031 6.839 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.861 8.412 -8.478 1.00 0.00 H new ATOM 1065 N ASP A 66 3.316 11.029 -11.212 1.00 0.00 N ATOM 1066 CA ASP A 66 2.949 11.221 -12.609 1.00 0.00 C ATOM 1067 C ASP A 66 4.020 12.025 -13.345 1.00 0.00 C ATOM 1068 O ASP A 66 4.359 11.725 -14.490 1.00 0.00 O ATOM 1069 CB ASP A 66 1.605 11.954 -12.685 1.00 0.00 C ATOM 1070 CG ASP A 66 0.945 11.715 -14.041 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.342 10.667 -14.207 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.053 12.583 -14.891 1.00 0.00 O ATOM 0 H ASP A 66 2.696 11.487 -10.544 1.00 0.00 H new ATOM 0 HA ASP A 66 2.864 10.245 -13.087 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.948 11.607 -11.887 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.757 13.022 -12.530 1.00 0.00 H new ATOM 1077 N GLN A 67 4.542 13.051 -12.680 1.00 0.00 N ATOM 1078 CA GLN A 67 5.567 13.897 -13.282 1.00 0.00 C ATOM 1079 C GLN A 67 6.778 13.069 -13.703 1.00 0.00 C ATOM 1080 O GLN A 67 7.208 13.127 -14.854 1.00 0.00 O ATOM 1081 CB GLN A 67 6.004 14.973 -12.286 1.00 0.00 C ATOM 1082 CG GLN A 67 4.777 15.736 -11.786 1.00 0.00 C ATOM 1083 CD GLN A 67 5.202 16.817 -10.798 1.00 0.00 C ATOM 1084 OE1 GLN A 67 5.646 17.891 -11.206 1.00 0.00 O ATOM 1085 NE2 GLN A 67 5.092 16.598 -9.517 1.00 0.00 N ATOM 0 H GLN A 67 4.275 13.315 -11.732 1.00 0.00 H new ATOM 0 HA GLN A 67 5.143 14.369 -14.169 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.527 14.515 -11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.704 15.660 -12.761 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.251 16.187 -12.628 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.081 15.048 -11.307 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.724 15.708 -9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.374 17.317 -8.851 1.00 0.00 H new ATOM 1094 N LYS A 68 7.326 12.304 -12.763 1.00 0.00 N ATOM 1095 CA LYS A 68 8.492 11.473 -13.052 1.00 0.00 C ATOM 1096 C LYS A 68 8.078 10.180 -13.748 1.00 0.00 C ATOM 1097 O LYS A 68 8.856 9.596 -14.501 1.00 0.00 O ATOM 1098 CB LYS A 68 9.239 11.146 -11.756 1.00 0.00 C ATOM 1099 CG LYS A 68 8.301 10.424 -10.786 1.00 0.00 C ATOM 1100 CD LYS A 68 8.904 10.434 -9.377 1.00 0.00 C ATOM 1101 CE LYS A 68 10.187 9.595 -9.350 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.313 10.388 -9.919 1.00 0.00 N ATOM 0 H LYS A 68 6.986 12.242 -11.803 1.00 0.00 H new ATOM 0 HA LYS A 68 9.151 12.030 -13.718 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.105 10.521 -11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.614 12.062 -11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.326 10.911 -10.778 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.141 9.397 -11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.123 11.458 -9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.184 10.036 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.418 9.298 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.047 8.679 -9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.543 10.032 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.036 11.388 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.147 10.298 -9.304 1.00 0.00 H new ATOM 1116 N SER A 69 6.849 9.738 -13.496 1.00 0.00 N ATOM 1117 CA SER A 69 6.352 8.512 -14.113 1.00 0.00 C ATOM 1118 C SER A 69 7.386 7.391 -13.983 1.00 0.00 C ATOM 1119 O SER A 69 8.197 7.185 -14.886 1.00 0.00 O ATOM 1120 CB SER A 69 6.063 8.762 -15.593 1.00 0.00 C ATOM 1121 OG SER A 69 7.292 8.897 -16.296 1.00 0.00 O ATOM 0 H SER A 69 6.186 10.204 -12.877 1.00 0.00 H new ATOM 0 HA SER A 69 5.437 8.212 -13.603 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.483 7.937 -16.006 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.463 9.664 -15.711 1.00 0.00 H new ATOM 0 HG SER A 69 8.039 8.727 -15.685 1.00 0.00 H new ATOM 1127 N PRO A 70 7.381 6.669 -12.888 1.00 0.00 N ATOM 1128 CA PRO A 70 8.351 5.556 -12.659 1.00 0.00 C ATOM 1129 C PRO A 70 8.442 4.615 -13.858 1.00 0.00 C ATOM 1130 O PRO A 70 7.786 4.826 -14.878 1.00 0.00 O ATOM 1131 CB PRO A 70 7.792 4.840 -11.423 1.00 0.00 C ATOM 1132 CG PRO A 70 7.040 5.897 -10.680 1.00 0.00 C ATOM 1133 CD PRO A 70 6.458 6.826 -11.749 1.00 0.00 C ATOM 0 HA PRO A 70 9.370 5.917 -12.517 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.139 4.014 -11.705 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.592 4.420 -10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.250 5.459 -10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.698 6.443 -10.004 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.440 6.541 -12.016 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.420 7.859 -11.404 1.00 0.00 H new ATOM 1368 N ASP B 218 8.562 11.417 10.797 1.00 0.00 N ATOM 1369 CA ASP B 218 9.385 12.424 11.456 1.00 0.00 C ATOM 1370 C ASP B 218 10.719 11.815 11.874 1.00 0.00 C ATOM 1371 O ASP B 218 11.699 11.874 11.133 1.00 0.00 O ATOM 1372 CB ASP B 218 8.659 12.972 12.686 1.00 0.00 C ATOM 1373 CG ASP B 218 9.554 13.963 13.422 1.00 0.00 C ATOM 1374 OD1 ASP B 218 10.561 14.357 12.855 1.00 0.00 O ATOM 1375 OD2 ASP B 218 9.222 14.314 14.542 1.00 0.00 O ATOM 0 HA ASP B 218 9.568 13.240 10.757 1.00 0.00 H new ATOM 0 HB2 ASP B 218 7.733 13.461 12.384 1.00 0.00 H new ATOM 0 HB3 ASP B 218 8.385 12.153 13.351 1.00 0.00 H new ATOM 1380 N ASP B 219 10.744 11.219 13.063 1.00 0.00 N ATOM 1381 CA ASP B 219 11.960 10.590 13.561 1.00 0.00 C ATOM 1382 C ASP B 219 12.328 9.402 12.688 1.00 0.00 C ATOM 1383 O ASP B 219 12.033 8.255 13.025 1.00 0.00 O ATOM 1384 CB ASP B 219 11.760 10.112 14.993 1.00 0.00 C ATOM 1385 CG ASP B 219 11.487 11.299 15.910 1.00 0.00 C ATOM 1386 OD1 ASP B 219 11.886 12.397 15.560 1.00 0.00 O ATOM 1387 OD2 ASP B 219 10.882 11.092 16.949 1.00 0.00 O ATOM 0 H ASP B 219 9.944 11.159 13.693 1.00 0.00 H new ATOM 0 HA ASP B 219 12.763 11.327 13.534 1.00 0.00 H new ATOM 0 HB2 ASP B 219 10.927 9.410 15.037 1.00 0.00 H new ATOM 0 HB3 ASP B 219 12.647 9.577 15.333 1.00 0.00 H new ATOM 1392 N VAL B 220 12.968 9.685 11.568 1.00 0.00 N ATOM 1393 CA VAL B 220 13.369 8.634 10.648 1.00 0.00 C ATOM 1394 C VAL B 220 14.248 7.610 11.358 1.00 0.00 C ATOM 1395 O VAL B 220 14.312 6.449 10.956 1.00 0.00 O ATOM 1396 CB VAL B 220 14.125 9.255 9.469 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.103 8.298 8.276 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.450 10.574 9.083 1.00 0.00 C ATOM 0 H VAL B 220 13.221 10.628 11.274 1.00 0.00 H new ATOM 0 HA VAL B 220 12.480 8.122 10.279 1.00 0.00 H new ATOM 0 HB VAL B 220 15.160 9.440 9.755 1.00 0.00 H new ATOM 0 HG11 VAL B 220 14.642 8.745 7.441 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.580 7.358 8.554 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.071 8.108 7.981 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.982 11.023 8.244 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.416 10.383 8.797 1.00 0.00 H new ATOM 0 HG23 VAL B 220 13.471 11.256 9.933 1.00 0.00 H new ATOM 1408 N GLY B 221 14.917 8.045 12.422 1.00 0.00 N ATOM 1409 CA GLY B 221 15.778 7.151 13.183 1.00 0.00 C ATOM 1410 C GLY B 221 15.015 5.894 13.583 1.00 0.00 C ATOM 1411 O GLY B 221 15.600 4.925 14.067 1.00 0.00 O ATOM 0 H GLY B 221 14.879 9.002 12.773 1.00 0.00 H new ATOM 0 HA2 GLY B 221 16.650 6.881 12.587 1.00 0.00 H new ATOM 0 HA3 GLY B 221 16.146 7.660 14.074 1.00 0.00 H new ATOM 1415 N LEU B 222 13.704 5.922 13.371 1.00 0.00 N ATOM 1416 CA LEU B 222 12.858 4.786 13.704 1.00 0.00 C ATOM 1417 C LEU B 222 13.088 3.653 12.705 1.00 0.00 C ATOM 1418 O LEU B 222 14.038 3.687 11.922 1.00 0.00 O ATOM 1419 CB LEU B 222 11.381 5.223 13.682 1.00 0.00 C ATOM 1420 CG LEU B 222 11.011 5.928 15.006 1.00 0.00 C ATOM 1421 CD1 LEU B 222 9.796 6.837 14.787 1.00 0.00 C ATOM 1422 CD2 LEU B 222 10.659 4.890 16.084 1.00 0.00 C ATOM 0 H LEU B 222 13.207 6.718 12.971 1.00 0.00 H new ATOM 0 HA LEU B 222 13.110 4.427 14.702 1.00 0.00 H new ATOM 0 HB2 LEU B 222 11.206 5.896 12.843 1.00 0.00 H new ATOM 0 HB3 LEU B 222 10.740 4.354 13.533 1.00 0.00 H new ATOM 0 HG LEU B 222 11.867 6.518 15.333 1.00 0.00 H new ATOM 0 HD11 LEU B 222 9.539 7.332 15.723 1.00 0.00 H new ATOM 0 HD12 LEU B 222 10.034 7.587 14.033 1.00 0.00 H new ATOM 0 HD13 LEU B 222 8.950 6.239 14.449 1.00 0.00 H new ATOM 0 HD21 LEU B 222 10.401 5.402 17.011 1.00 0.00 H new ATOM 0 HD22 LEU B 222 9.811 4.293 15.751 1.00 0.00 H new ATOM 0 HD23 LEU B 222 11.516 4.239 16.256 1.00 0.00 H new ATOM 1434 N LEU B 223 12.216 2.652 12.738 1.00 0.00 N ATOM 1435 CA LEU B 223 12.336 1.516 11.833 1.00 0.00 C ATOM 1436 C LEU B 223 13.725 0.890 11.958 1.00 0.00 C ATOM 1437 O LEU B 223 13.834 -0.134 12.613 1.00 0.00 O ATOM 1438 CB LEU B 223 12.090 1.977 10.385 1.00 0.00 C ATOM 1439 CG LEU B 223 11.597 0.807 9.507 1.00 0.00 C ATOM 1440 CD1 LEU B 223 12.580 -0.365 9.598 1.00 0.00 C ATOM 1441 CD2 LEU B 223 10.189 0.347 9.949 1.00 0.00 C ATOM 1442 OXT LEU B 223 14.656 1.444 11.399 1.00 0.00 O ATOM 0 H LEU B 223 11.423 2.604 13.378 1.00 0.00 H new ATOM 0 HA LEU B 223 11.590 0.767 12.099 1.00 0.00 H new ATOM 0 HB2 LEU B 223 11.352 2.779 10.376 1.00 0.00 H new ATOM 0 HB3 LEU B 223 13.011 2.386 9.969 1.00 0.00 H new ATOM 0 HG LEU B 223 11.541 1.151 8.474 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.225 -1.187 8.976 1.00 0.00 H new ATOM 0 HD12 LEU B 223 13.562 -0.044 9.250 1.00 0.00 H new ATOM 0 HD13 LEU B 223 12.653 -0.699 10.633 1.00 0.00 H new ATOM 0 HD21 LEU B 223 9.861 -0.478 9.317 1.00 0.00 H new ATOM 0 HD22 LEU B 223 10.223 0.017 10.987 1.00 0.00 H new ATOM 0 HD23 LEU B 223 9.489 1.177 9.855 1.00 0.00 H new