USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=18 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 64 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 36 GLN : amide:sc= -2 K(o=-2,f=-0.48!) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00362 X(o=-0.0036,f=-0.27) USER MOD Single : A 15 ASN : amide:sc= -2.9! C(o=-2.9!,f=-9.4!) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= -1.59 (180deg=-2.5) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0379 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 28:sc= -0.213 USER MOD Single : A 37 LYS NZ :NH3+ 153:sc= -0.272 (180deg=-1.3!) USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= -3.27! (180deg=-5.82!) USER MOD Single : A 43 THR OG1 : rot -96:sc= -5.19! USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.0698 (180deg=-0.434) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -1.27 (180deg=-1.92) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.278 (180deg=-1.4!) USER MOD Single : A 56 LYS NZ :NH3+ 141:sc= -3.97! (180deg=-6.64!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -119:sc= 0.146! USER MOD Single : A 62 MET CE :methyl -157:sc= -0.802 (180deg=-1.09) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.106 (180deg=-0.816) USER MOD Single : A 67 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.14) USER MOD Single : A 69 SER OG : rot 11:sc= 1.52! USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -6.948 -1.706 6.465 1.00 0.00 N ATOM 144 CA ASN A 12 -7.832 -1.093 5.478 1.00 0.00 C ATOM 145 C ASN A 12 -7.124 0.067 4.782 1.00 0.00 C ATOM 146 O ASN A 12 -6.663 -0.071 3.650 1.00 0.00 O ATOM 147 CB ASN A 12 -9.115 -0.591 6.149 1.00 0.00 C ATOM 148 CG ASN A 12 -9.638 -1.639 7.126 1.00 0.00 C ATOM 149 OD1 ASN A 12 -9.186 -1.703 8.270 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.569 -2.469 6.743 1.00 0.00 N ATOM 0 HA ASN A 12 -8.094 -1.846 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.918 0.343 6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.871 -0.377 5.393 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.924 -3.172 7.391 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.942 -2.415 5.795 1.00 0.00 H new ATOM 157 N LEU A 13 -7.035 1.207 5.471 1.00 0.00 N ATOM 158 CA LEU A 13 -6.376 2.396 4.919 1.00 0.00 C ATOM 159 C LEU A 13 -5.359 2.938 5.922 1.00 0.00 C ATOM 160 O LEU A 13 -5.343 2.530 7.083 1.00 0.00 O ATOM 161 CB LEU A 13 -7.416 3.482 4.604 1.00 0.00 C ATOM 162 CG LEU A 13 -8.595 2.887 3.818 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.734 3.905 3.761 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.157 2.554 2.389 1.00 0.00 C ATOM 0 H LEU A 13 -7.410 1.333 6.411 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.864 2.116 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.777 3.928 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.952 4.281 4.026 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.930 1.978 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.571 3.484 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.057 4.146 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.387 4.812 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.999 2.133 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.817 3.462 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.343 1.829 2.417 1.00 0.00 H new ATOM 176 N ALA A 14 -4.504 3.849 5.465 1.00 0.00 N ATOM 177 CA ALA A 14 -3.481 4.427 6.334 1.00 0.00 C ATOM 178 C ALA A 14 -4.072 5.509 7.235 1.00 0.00 C ATOM 179 O ALA A 14 -5.184 5.369 7.739 1.00 0.00 O ATOM 180 CB ALA A 14 -2.354 5.024 5.489 1.00 0.00 C ATOM 0 H ALA A 14 -4.498 4.201 4.508 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.084 3.631 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.596 5.453 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.905 4.242 4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.758 5.803 4.843 1.00 0.00 H new ATOM 186 N ASN A 15 -3.310 6.588 7.435 1.00 0.00 N ATOM 187 CA ASN A 15 -3.755 7.697 8.284 1.00 0.00 C ATOM 188 C ASN A 15 -3.381 9.043 7.668 1.00 0.00 C ATOM 189 O ASN A 15 -4.109 9.580 6.833 1.00 0.00 O ATOM 190 CB ASN A 15 -3.107 7.589 9.666 1.00 0.00 C ATOM 191 CG ASN A 15 -3.595 6.339 10.389 1.00 0.00 C ATOM 192 OD1 ASN A 15 -3.642 5.258 9.801 1.00 0.00 O ATOM 193 ND2 ASN A 15 -3.956 6.421 11.639 1.00 0.00 N ATOM 0 H ASN A 15 -2.386 6.717 7.023 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.840 7.636 8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.022 7.557 9.564 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.346 8.474 10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.278 5.589 12.132 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.916 7.318 12.124 1.00 0.00 H new ATOM 200 N ARG A 16 -2.248 9.593 8.102 1.00 0.00 N ATOM 201 CA ARG A 16 -1.793 10.890 7.607 1.00 0.00 C ATOM 202 C ARG A 16 -1.095 10.764 6.255 1.00 0.00 C ATOM 203 O ARG A 16 -1.354 9.837 5.487 1.00 0.00 O ATOM 204 CB ARG A 16 -0.832 11.529 8.619 1.00 0.00 C ATOM 205 CG ARG A 16 -1.327 11.265 10.050 1.00 0.00 C ATOM 206 CD ARG A 16 -0.756 12.320 11.003 1.00 0.00 C ATOM 207 NE ARG A 16 -1.170 13.655 10.579 1.00 0.00 N ATOM 208 CZ ARG A 16 -1.254 14.662 11.445 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.968 14.469 12.703 1.00 0.00 N ATOM 210 NH2 ARG A 16 -1.625 15.844 11.035 1.00 0.00 N ATOM 0 H ARG A 16 -1.632 9.163 8.792 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.672 11.521 7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.170 11.120 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.763 12.602 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.416 11.289 10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.022 10.269 10.371 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.102 12.129 12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.332 12.256 11.019 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.400 13.819 9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.679 13.545 13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.033 15.242 13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.850 15.995 10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.690 16.617 11.698 1.00 0.00 H new ATOM 224 N LYS A 17 -0.213 11.721 5.976 1.00 0.00 N ATOM 225 CA LYS A 17 0.528 11.748 4.719 1.00 0.00 C ATOM 226 C LYS A 17 1.787 10.888 4.809 1.00 0.00 C ATOM 227 O LYS A 17 2.523 10.944 5.794 1.00 0.00 O ATOM 228 CB LYS A 17 0.906 13.202 4.394 1.00 0.00 C ATOM 229 CG LYS A 17 1.938 13.246 3.258 1.00 0.00 C ATOM 230 CD LYS A 17 1.962 14.648 2.639 1.00 0.00 C ATOM 231 CE LYS A 17 2.998 14.697 1.515 1.00 0.00 C ATOM 232 NZ LYS A 17 2.457 14.001 0.313 1.00 0.00 N ATOM 0 H LYS A 17 0.006 12.491 6.608 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.101 11.341 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.015 13.760 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.313 13.686 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.926 12.989 3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.689 12.506 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.976 14.901 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.203 15.389 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.239 15.732 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.924 14.222 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.022 14.259 -0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.502 12.972 0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.468 14.286 0.162 1.00 0.00 H new ATOM 246 N ILE A 18 2.031 10.103 3.761 1.00 0.00 N ATOM 247 CA ILE A 18 3.209 9.241 3.710 1.00 0.00 C ATOM 248 C ILE A 18 4.407 10.074 3.219 1.00 0.00 C ATOM 249 O ILE A 18 4.256 10.879 2.301 1.00 0.00 O ATOM 250 CB ILE A 18 2.922 8.052 2.746 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.418 6.817 3.532 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.155 7.677 1.904 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.533 6.152 4.364 1.00 0.00 C ATOM 0 H ILE A 18 1.430 10.047 2.939 1.00 0.00 H new ATOM 0 HA ILE A 18 3.441 8.839 4.696 1.00 0.00 H new ATOM 0 HB ILE A 18 2.141 8.381 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.606 7.118 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.007 6.089 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.907 6.843 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.460 8.534 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.972 7.388 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.126 5.291 4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.335 5.824 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.927 6.870 5.084 1.00 0.00 H new ATOM 265 N PRO A 19 5.584 9.907 3.786 1.00 0.00 N ATOM 266 CA PRO A 19 6.784 10.684 3.345 1.00 0.00 C ATOM 267 C PRO A 19 7.213 10.294 1.928 1.00 0.00 C ATOM 268 O PRO A 19 7.734 9.201 1.705 1.00 0.00 O ATOM 269 CB PRO A 19 7.849 10.311 4.385 1.00 0.00 C ATOM 270 CG PRO A 19 7.446 8.957 4.853 1.00 0.00 C ATOM 271 CD PRO A 19 5.924 8.985 4.893 1.00 0.00 C ATOM 0 HA PRO A 19 6.602 11.758 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.847 10.300 3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.870 11.026 5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.808 8.183 4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.862 8.741 5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.497 7.994 4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.551 9.348 5.851 1.00 0.00 H new ATOM 279 N LEU A 20 6.972 11.191 0.978 1.00 0.00 N ATOM 280 CA LEU A 20 7.317 10.936 -0.418 1.00 0.00 C ATOM 281 C LEU A 20 8.761 10.431 -0.547 1.00 0.00 C ATOM 282 O LEU A 20 9.040 9.514 -1.319 1.00 0.00 O ATOM 283 CB LEU A 20 7.136 12.229 -1.244 1.00 0.00 C ATOM 284 CG LEU A 20 5.708 12.313 -1.799 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.705 12.315 -0.646 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.552 13.603 -2.609 1.00 0.00 C ATOM 0 H LEU A 20 6.540 12.099 1.147 1.00 0.00 H new ATOM 0 HA LEU A 20 6.651 10.162 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.342 13.099 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.854 12.248 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 20 5.520 11.452 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.692 12.375 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.814 11.398 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.893 13.174 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.538 13.664 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.743 14.462 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.264 13.602 -3.435 1.00 0.00 H new ATOM 298 N GLN A 21 9.668 11.053 0.197 1.00 0.00 N ATOM 299 CA GLN A 21 11.083 10.683 0.148 1.00 0.00 C ATOM 300 C GLN A 21 11.287 9.166 0.203 1.00 0.00 C ATOM 301 O GLN A 21 12.285 8.654 -0.304 1.00 0.00 O ATOM 302 CB GLN A 21 11.826 11.339 1.317 1.00 0.00 C ATOM 303 CG GLN A 21 11.016 11.165 2.601 1.00 0.00 C ATOM 304 CD GLN A 21 11.770 11.767 3.780 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.360 12.841 3.657 1.00 0.00 O ATOM 306 NE2 GLN A 21 11.788 11.138 4.923 1.00 0.00 N ATOM 0 H GLN A 21 9.453 11.814 0.841 1.00 0.00 H new ATOM 0 HA GLN A 21 11.482 11.037 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.812 10.889 1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.981 12.399 1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.044 11.648 2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.828 10.107 2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.299 10.249 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.291 11.536 5.716 1.00 0.00 H new ATOM 315 N ARG A 22 10.356 8.454 0.834 1.00 0.00 N ATOM 316 CA ARG A 22 10.467 6.995 0.962 1.00 0.00 C ATOM 317 C ARG A 22 9.584 6.279 -0.059 1.00 0.00 C ATOM 318 O ARG A 22 9.861 5.145 -0.446 1.00 0.00 O ATOM 319 CB ARG A 22 10.055 6.584 2.382 1.00 0.00 C ATOM 320 CG ARG A 22 11.125 7.053 3.397 1.00 0.00 C ATOM 321 CD ARG A 22 10.466 7.433 4.731 1.00 0.00 C ATOM 322 NE ARG A 22 11.445 7.363 5.811 1.00 0.00 N ATOM 323 CZ ARG A 22 11.288 8.061 6.932 1.00 0.00 C ATOM 324 NH1 ARG A 22 10.244 8.829 7.081 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.178 7.977 7.882 1.00 0.00 N ATOM 0 H ARG A 22 9.522 8.855 1.263 1.00 0.00 H new ATOM 0 HA ARG A 22 11.501 6.707 0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.088 7.022 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.938 5.502 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.856 6.260 3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.667 7.909 2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.054 8.440 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.634 6.760 4.939 1.00 0.00 H new ATOM 0 HE ARG A 22 12.266 6.767 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.548 8.894 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.123 9.364 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.994 7.376 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.058 8.512 8.742 1.00 0.00 H new ATOM 339 N LEU A 23 8.522 6.949 -0.481 1.00 0.00 N ATOM 340 CA LEU A 23 7.589 6.381 -1.452 1.00 0.00 C ATOM 341 C LEU A 23 8.324 5.987 -2.736 1.00 0.00 C ATOM 342 O LEU A 23 9.013 6.806 -3.344 1.00 0.00 O ATOM 343 CB LEU A 23 6.496 7.438 -1.732 1.00 0.00 C ATOM 344 CG LEU A 23 5.438 7.004 -2.783 1.00 0.00 C ATOM 345 CD1 LEU A 23 5.898 7.378 -4.208 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.118 5.501 -2.686 1.00 0.00 C ATOM 0 H LEU A 23 8.282 7.889 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 23 7.131 5.474 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.987 7.673 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.974 8.356 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 23 4.518 7.546 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.142 7.065 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.037 8.457 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.840 6.876 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.374 5.238 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.027 4.924 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.727 5.276 -1.694 1.00 0.00 H new ATOM 358 N GLU A 24 8.153 4.732 -3.149 1.00 0.00 N ATOM 359 CA GLU A 24 8.774 4.227 -4.373 1.00 0.00 C ATOM 360 C GLU A 24 7.779 4.300 -5.536 1.00 0.00 C ATOM 361 O GLU A 24 8.042 4.948 -6.549 1.00 0.00 O ATOM 362 CB GLU A 24 9.220 2.776 -4.166 1.00 0.00 C ATOM 363 CG GLU A 24 9.668 2.173 -5.501 1.00 0.00 C ATOM 364 CD GLU A 24 10.446 0.885 -5.256 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.813 -0.136 -5.044 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.665 0.939 -5.284 1.00 0.00 O ATOM 0 H GLU A 24 7.587 4.044 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 24 9.642 4.842 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.038 2.737 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.401 2.190 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.799 1.969 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.290 2.886 -6.041 1.00 0.00 H new ATOM 373 N SER A 25 6.637 3.630 -5.380 1.00 0.00 N ATOM 374 CA SER A 25 5.608 3.624 -6.422 1.00 0.00 C ATOM 375 C SER A 25 4.247 3.244 -5.835 1.00 0.00 C ATOM 376 O SER A 25 4.147 2.926 -4.650 1.00 0.00 O ATOM 377 CB SER A 25 5.985 2.627 -7.519 1.00 0.00 C ATOM 378 OG SER A 25 5.210 2.891 -8.680 1.00 0.00 O ATOM 0 H SER A 25 6.401 3.088 -4.549 1.00 0.00 H new ATOM 0 HA SER A 25 5.541 4.626 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.047 2.708 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.810 1.607 -7.175 1.00 0.00 H new ATOM 0 HG SER A 25 5.451 2.255 -9.386 1.00 0.00 H new ATOM 384 N TYR A 26 3.199 3.275 -6.671 1.00 0.00 N ATOM 385 CA TYR A 26 1.842 2.922 -6.220 1.00 0.00 C ATOM 386 C TYR A 26 1.278 1.770 -7.056 1.00 0.00 C ATOM 387 O TYR A 26 1.833 1.413 -8.095 1.00 0.00 O ATOM 388 CB TYR A 26 0.906 4.139 -6.314 1.00 0.00 C ATOM 389 CG TYR A 26 0.577 4.439 -7.761 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.517 5.081 -8.575 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.668 4.070 -8.287 1.00 0.00 C ATOM 392 CE1 TYR A 26 1.212 5.357 -9.914 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.972 4.345 -9.625 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.032 4.987 -10.438 1.00 0.00 C ATOM 395 OH TYR A 26 -0.332 5.258 -11.759 1.00 0.00 O ATOM 0 H TYR A 26 3.262 3.538 -7.654 1.00 0.00 H new ATOM 0 HA TYR A 26 1.905 2.605 -5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.011 3.944 -5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.379 5.007 -5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.478 5.364 -8.171 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.393 3.573 -7.660 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.936 5.855 -10.542 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.932 4.062 -10.030 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.235 4.935 -11.962 1.00 0.00 H new ATOM 405 N ARG A 27 0.172 1.193 -6.589 1.00 0.00 N ATOM 406 CA ARG A 27 -0.465 0.081 -7.293 1.00 0.00 C ATOM 407 C ARG A 27 -1.917 -0.066 -6.828 1.00 0.00 C ATOM 408 O ARG A 27 -2.193 -0.060 -5.630 1.00 0.00 O ATOM 409 CB ARG A 27 0.324 -1.217 -7.022 1.00 0.00 C ATOM 410 CG ARG A 27 0.244 -2.164 -8.231 1.00 0.00 C ATOM 411 CD ARG A 27 -1.204 -2.615 -8.460 1.00 0.00 C ATOM 412 NE ARG A 27 -1.225 -3.892 -9.166 1.00 0.00 N ATOM 413 CZ ARG A 27 -2.324 -4.321 -9.776 1.00 0.00 C ATOM 414 NH1 ARG A 27 -3.410 -3.598 -9.749 1.00 0.00 N ATOM 415 NH2 ARG A 27 -2.318 -5.465 -10.403 1.00 0.00 N ATOM 0 H ARG A 27 -0.300 1.475 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.464 0.278 -8.365 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.366 -0.978 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.076 -1.713 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.620 -1.660 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.880 -3.033 -8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.719 -2.710 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.741 -1.862 -9.037 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.381 -4.465 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.415 -2.703 -9.259 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.254 -3.928 -10.218 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.469 -6.030 -10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.162 -5.794 -10.871 1.00 0.00 H new ATOM 429 N ARG A 28 -2.842 -0.181 -7.781 1.00 0.00 N ATOM 430 CA ARG A 28 -4.261 -0.308 -7.444 1.00 0.00 C ATOM 431 C ARG A 28 -4.614 -1.740 -7.039 1.00 0.00 C ATOM 432 O ARG A 28 -4.059 -2.703 -7.566 1.00 0.00 O ATOM 433 CB ARG A 28 -5.126 0.136 -8.644 1.00 0.00 C ATOM 434 CG ARG A 28 -6.388 0.867 -8.150 1.00 0.00 C ATOM 435 CD ARG A 28 -7.454 0.864 -9.250 1.00 0.00 C ATOM 436 NE ARG A 28 -8.497 1.836 -8.943 1.00 0.00 N ATOM 437 CZ ARG A 28 -8.266 3.142 -9.024 1.00 0.00 C ATOM 438 NH1 ARG A 28 -7.087 3.574 -9.383 1.00 0.00 N ATOM 439 NH2 ARG A 28 -9.215 3.992 -8.744 1.00 0.00 N ATOM 0 H ARG A 28 -2.639 -0.189 -8.781 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.466 0.338 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.548 0.792 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.409 -0.733 -9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.775 0.380 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.141 1.892 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.997 1.102 -10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.890 -0.131 -9.342 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.421 1.507 -8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.345 2.909 -9.601 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.908 4.576 -9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.135 3.654 -8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.037 4.994 -8.806 1.00 0.00 H new ATOM 453 N ILE A 29 -5.556 -1.863 -6.098 1.00 0.00 N ATOM 454 CA ILE A 29 -6.009 -3.175 -5.614 1.00 0.00 C ATOM 455 C ILE A 29 -7.434 -3.436 -6.107 1.00 0.00 C ATOM 456 O ILE A 29 -8.321 -2.599 -5.940 1.00 0.00 O ATOM 457 CB ILE A 29 -5.960 -3.232 -4.054 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.650 -1.833 -3.496 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.876 -4.217 -3.595 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.637 -1.860 -1.962 1.00 0.00 C ATOM 0 H ILE A 29 -6.021 -1.071 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.344 -3.945 -6.004 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.928 -3.568 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.684 -1.492 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.397 -1.121 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.851 -4.249 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.100 -5.211 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.906 -3.892 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.416 -0.862 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.612 -2.180 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.873 -2.557 -1.617 1.00 0.00 H new ATOM 472 N THR A 30 -7.644 -4.603 -6.712 1.00 0.00 N ATOM 473 CA THR A 30 -8.963 -4.970 -7.227 1.00 0.00 C ATOM 474 C THR A 30 -9.172 -6.478 -7.131 1.00 0.00 C ATOM 475 O THR A 30 -8.772 -7.108 -6.151 1.00 0.00 O ATOM 476 CB THR A 30 -9.097 -4.525 -8.686 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.188 -5.265 -9.490 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.782 -3.032 -8.799 1.00 0.00 C ATOM 0 H THR A 30 -6.922 -5.309 -6.858 1.00 0.00 H new ATOM 0 HA THR A 30 -9.721 -4.469 -6.625 1.00 0.00 H new ATOM 0 HB THR A 30 -10.116 -4.705 -9.028 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.273 -4.983 -10.425 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.878 -2.718 -9.838 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.480 -2.465 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.764 -2.848 -8.457 1.00 0.00 H new ATOM 526 N CYS A 34 -8.984 -7.024 -0.975 1.00 0.00 N ATOM 527 CA CYS A 34 -8.837 -5.789 -0.210 1.00 0.00 C ATOM 528 C CYS A 34 -10.116 -4.945 -0.305 1.00 0.00 C ATOM 529 O CYS A 34 -10.835 -5.037 -1.299 1.00 0.00 O ATOM 530 CB CYS A 34 -7.646 -4.989 -0.748 1.00 0.00 C ATOM 531 SG CYS A 34 -6.176 -6.043 -0.778 1.00 0.00 S ATOM 0 HA CYS A 34 -8.662 -6.041 0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.864 -4.622 -1.751 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.468 -4.116 -0.121 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.535 -7.285 -0.917 1.00 0.00 H new ATOM 536 N PRO A 35 -10.420 -4.127 0.690 1.00 0.00 N ATOM 537 CA PRO A 35 -11.641 -3.261 0.665 1.00 0.00 C ATOM 538 C PRO A 35 -11.830 -2.538 -0.672 1.00 0.00 C ATOM 539 O PRO A 35 -11.091 -2.767 -1.629 1.00 0.00 O ATOM 540 CB PRO A 35 -11.392 -2.253 1.794 1.00 0.00 C ATOM 541 CG PRO A 35 -10.520 -2.973 2.768 1.00 0.00 C ATOM 542 CD PRO A 35 -9.657 -3.941 1.946 1.00 0.00 C ATOM 0 HA PRO A 35 -12.551 -3.847 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.906 -1.352 1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.328 -1.940 2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.896 -2.272 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.120 -3.514 3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.667 -3.527 1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.511 -4.887 2.468 1.00 0.00 H new ATOM 550 N GLN A 36 -12.825 -1.654 -0.720 1.00 0.00 N ATOM 551 CA GLN A 36 -13.117 -0.888 -1.932 1.00 0.00 C ATOM 552 C GLN A 36 -11.832 -0.483 -2.653 1.00 0.00 C ATOM 553 O GLN A 36 -10.755 -0.465 -2.059 1.00 0.00 O ATOM 554 CB GLN A 36 -13.915 0.367 -1.572 1.00 0.00 C ATOM 555 CG GLN A 36 -13.187 1.137 -0.466 1.00 0.00 C ATOM 556 CD GLN A 36 -14.014 2.347 -0.044 1.00 0.00 C ATOM 557 OE1 GLN A 36 -13.459 3.385 0.316 1.00 0.00 O ATOM 558 NE2 GLN A 36 -15.317 2.275 -0.067 1.00 0.00 N ATOM 0 H GLN A 36 -13.443 -1.450 0.066 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.702 -1.521 -2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.034 0.999 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.916 0.091 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.017 0.485 0.391 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.208 1.460 -0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.775 1.414 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.877 3.080 0.214 1.00 0.00 H new ATOM 567 N LYS A 37 -11.958 -0.159 -3.938 1.00 0.00 N ATOM 568 CA LYS A 37 -10.804 0.245 -4.740 1.00 0.00 C ATOM 569 C LYS A 37 -9.869 1.143 -3.933 1.00 0.00 C ATOM 570 O LYS A 37 -10.319 2.024 -3.201 1.00 0.00 O ATOM 571 CB LYS A 37 -11.271 0.992 -5.996 1.00 0.00 C ATOM 572 CG LYS A 37 -12.483 0.282 -6.610 1.00 0.00 C ATOM 573 CD LYS A 37 -12.180 -1.209 -6.781 1.00 0.00 C ATOM 574 CE LYS A 37 -13.225 -1.840 -7.703 1.00 0.00 C ATOM 575 NZ LYS A 37 -13.185 -1.167 -9.033 1.00 0.00 N ATOM 0 H LYS A 37 -12.843 -0.168 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.262 -0.655 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.532 2.019 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.460 1.039 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.356 0.414 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.725 0.726 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.182 -1.342 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.188 -1.706 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.029 -2.906 -7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.218 -1.744 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.515 -1.827 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.802 -0.330 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.210 -0.874 -9.245 1.00 0.00 H new ATOM 589 N ALA A 38 -8.566 0.910 -4.067 1.00 0.00 N ATOM 590 CA ALA A 38 -7.579 1.705 -3.342 1.00 0.00 C ATOM 591 C ALA A 38 -6.222 1.636 -4.042 1.00 0.00 C ATOM 592 O ALA A 38 -6.036 0.858 -4.973 1.00 0.00 O ATOM 593 CB ALA A 38 -7.465 1.194 -1.893 1.00 0.00 C ATOM 0 H ALA A 38 -8.172 0.184 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.902 2.746 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.728 1.789 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.433 1.281 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.154 0.149 -1.899 1.00 0.00 H new ATOM 599 N VAL A 39 -5.276 2.458 -3.580 1.00 0.00 N ATOM 600 CA VAL A 39 -3.927 2.489 -4.158 1.00 0.00 C ATOM 601 C VAL A 39 -2.887 2.230 -3.075 1.00 0.00 C ATOM 602 O VAL A 39 -2.866 2.900 -2.043 1.00 0.00 O ATOM 603 CB VAL A 39 -3.678 3.837 -4.842 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.881 4.188 -5.724 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.481 4.931 -3.791 1.00 0.00 C ATOM 0 H VAL A 39 -5.418 3.110 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.843 1.703 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.779 3.766 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.707 5.147 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.015 3.415 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.778 4.252 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.305 5.885 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.374 5.004 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.624 4.684 -3.165 1.00 0.00 H new ATOM 615 N ILE A 40 -2.043 1.226 -3.309 1.00 0.00 N ATOM 616 CA ILE A 40 -1.017 0.841 -2.341 1.00 0.00 C ATOM 617 C ILE A 40 0.304 1.571 -2.582 1.00 0.00 C ATOM 618 O ILE A 40 1.038 1.234 -3.509 1.00 0.00 O ATOM 619 CB ILE A 40 -0.775 -0.674 -2.440 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.024 -1.423 -1.973 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.414 -1.086 -1.565 1.00 0.00 C ATOM 622 CD1 ILE A 40 -1.888 -2.904 -2.337 1.00 0.00 C ATOM 0 H ILE A 40 -2.050 0.665 -4.161 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.376 1.115 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.556 -0.924 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.149 -1.311 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.913 -1.001 -2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.571 -2.162 -1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.310 -0.562 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.208 -0.828 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.776 -3.443 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.783 -3.005 -3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.008 -3.320 -1.847 1.00 0.00 H new ATOM 634 N PHE A 41 0.632 2.532 -1.716 1.00 0.00 N ATOM 635 CA PHE A 41 1.903 3.243 -1.841 1.00 0.00 C ATOM 636 C PHE A 41 2.991 2.423 -1.157 1.00 0.00 C ATOM 637 O PHE A 41 2.916 2.165 0.043 1.00 0.00 O ATOM 638 CB PHE A 41 1.833 4.625 -1.180 1.00 0.00 C ATOM 639 CG PHE A 41 0.774 5.470 -1.847 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.960 5.940 -3.155 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.391 5.798 -1.149 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.022 6.734 -3.761 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.366 6.588 -1.752 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.186 7.058 -3.057 1.00 0.00 C ATOM 0 H PHE A 41 0.047 2.831 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 41 2.124 3.378 -2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.608 4.518 -0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.802 5.120 -1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.861 5.690 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.535 5.438 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.119 7.095 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.266 6.839 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.945 7.671 -3.520 1.00 0.00 H new ATOM 654 N LYS A 42 3.999 2.007 -1.921 1.00 0.00 N ATOM 655 CA LYS A 42 5.092 1.204 -1.364 1.00 0.00 C ATOM 656 C LYS A 42 6.326 2.069 -1.137 1.00 0.00 C ATOM 657 O LYS A 42 6.739 2.824 -2.015 1.00 0.00 O ATOM 658 CB LYS A 42 5.428 0.050 -2.318 1.00 0.00 C ATOM 659 CG LYS A 42 5.332 0.533 -3.765 1.00 0.00 C ATOM 660 CD LYS A 42 5.979 -0.497 -4.697 1.00 0.00 C ATOM 661 CE LYS A 42 5.408 -1.892 -4.415 1.00 0.00 C ATOM 662 NZ LYS A 42 6.088 -2.473 -3.223 1.00 0.00 N ATOM 0 H LYS A 42 4.084 2.208 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 42 4.773 0.795 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.432 -0.322 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.741 -0.781 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.288 0.682 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.830 1.497 -3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.797 -0.224 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.059 -0.502 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.334 -1.829 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.553 -2.538 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.344 -3.462 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.949 -1.928 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.447 -2.435 -2.405 1.00 0.00 H new ATOM 676 N THR A 43 6.907 1.949 0.056 1.00 0.00 N ATOM 677 CA THR A 43 8.103 2.719 0.416 1.00 0.00 C ATOM 678 C THR A 43 9.215 1.771 0.863 1.00 0.00 C ATOM 679 O THR A 43 9.042 0.552 0.861 1.00 0.00 O ATOM 680 CB THR A 43 7.781 3.729 1.547 1.00 0.00 C ATOM 681 OG1 THR A 43 8.686 3.546 2.627 1.00 0.00 O ATOM 682 CG2 THR A 43 6.348 3.524 2.054 1.00 0.00 C ATOM 0 H THR A 43 6.571 1.327 0.791 1.00 0.00 H new ATOM 0 HA THR A 43 8.436 3.276 -0.460 1.00 0.00 H new ATOM 0 HB THR A 43 7.880 4.739 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.275 2.969 3.304 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.137 4.240 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.647 3.675 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.241 2.511 2.442 1.00 0.00 H new ATOM 690 N LYS A 44 10.354 2.342 1.240 1.00 0.00 N ATOM 691 CA LYS A 44 11.493 1.542 1.685 1.00 0.00 C ATOM 692 C LYS A 44 11.363 1.182 3.162 1.00 0.00 C ATOM 693 O LYS A 44 12.335 0.770 3.794 1.00 0.00 O ATOM 694 CB LYS A 44 12.791 2.322 1.464 1.00 0.00 C ATOM 695 CG LYS A 44 12.907 2.716 -0.010 1.00 0.00 C ATOM 696 CD LYS A 44 14.180 3.537 -0.221 1.00 0.00 C ATOM 697 CE LYS A 44 14.285 3.949 -1.690 1.00 0.00 C ATOM 698 NZ LYS A 44 13.174 4.886 -2.023 1.00 0.00 N ATOM 0 H LYS A 44 10.514 3.349 1.247 1.00 0.00 H new ATOM 0 HA LYS A 44 11.512 0.621 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.803 3.213 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.647 1.714 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.930 1.823 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.034 3.295 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.164 4.422 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.054 2.953 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.247 4.427 -1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.237 3.068 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.418 5.423 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.302 4.345 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.026 5.545 -1.232 1.00 0.00 H new ATOM 712 N LEU A 45 10.160 1.337 3.709 1.00 0.00 N ATOM 713 CA LEU A 45 9.933 1.019 5.115 1.00 0.00 C ATOM 714 C LEU A 45 10.166 -0.478 5.351 1.00 0.00 C ATOM 715 O LEU A 45 11.287 -0.898 5.637 1.00 0.00 O ATOM 716 CB LEU A 45 8.491 1.428 5.526 1.00 0.00 C ATOM 717 CG LEU A 45 8.470 2.760 6.314 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.312 2.653 7.606 1.00 0.00 C ATOM 719 CD2 LEU A 45 8.988 3.910 5.430 1.00 0.00 C ATOM 0 H LEU A 45 9.338 1.676 3.208 1.00 0.00 H new ATOM 0 HA LEU A 45 10.635 1.580 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.873 1.525 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.050 0.639 6.135 1.00 0.00 H new ATOM 0 HG LEU A 45 7.439 2.971 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.280 3.602 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.906 1.865 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.344 2.416 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.968 4.841 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.010 3.697 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.353 4.007 4.550 1.00 0.00 H new ATOM 731 N ALA A 46 9.105 -1.273 5.232 1.00 0.00 N ATOM 732 CA ALA A 46 9.214 -2.714 5.437 1.00 0.00 C ATOM 733 C ALA A 46 7.862 -3.394 5.235 1.00 0.00 C ATOM 734 O ALA A 46 7.735 -4.604 5.421 1.00 0.00 O ATOM 735 CB ALA A 46 9.727 -3.002 6.853 1.00 0.00 C ATOM 0 H ALA A 46 8.168 -0.947 4.997 1.00 0.00 H new ATOM 0 HA ALA A 46 9.917 -3.112 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.806 -4.079 6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.708 -2.545 6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.032 -2.587 7.583 1.00 0.00 H new ATOM 741 N LYS A 47 6.853 -2.611 4.857 1.00 0.00 N ATOM 742 CA LYS A 47 5.513 -3.156 4.637 1.00 0.00 C ATOM 743 C LYS A 47 4.743 -2.317 3.619 1.00 0.00 C ATOM 744 O LYS A 47 5.134 -1.194 3.299 1.00 0.00 O ATOM 745 CB LYS A 47 4.747 -3.246 5.976 1.00 0.00 C ATOM 746 CG LYS A 47 4.108 -1.898 6.371 1.00 0.00 C ATOM 747 CD LYS A 47 5.175 -0.801 6.486 1.00 0.00 C ATOM 748 CE LYS A 47 6.217 -1.178 7.549 1.00 0.00 C ATOM 749 NZ LYS A 47 5.555 -1.882 8.683 1.00 0.00 N ATOM 0 H LYS A 47 6.935 -1.607 4.698 1.00 0.00 H new ATOM 0 HA LYS A 47 5.611 -4.162 4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.970 -4.006 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.430 -3.568 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.364 -1.611 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.585 -2.003 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.664 -0.658 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.705 0.147 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.982 -1.818 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.721 -0.282 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.149 -1.805 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.628 -1.448 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.425 -2.885 8.441 1.00 0.00 H new ATOM 763 N ASP A 48 3.645 -2.875 3.115 1.00 0.00 N ATOM 764 CA ASP A 48 2.817 -2.181 2.131 1.00 0.00 C ATOM 765 C ASP A 48 1.803 -1.274 2.824 1.00 0.00 C ATOM 766 O ASP A 48 1.201 -1.654 3.828 1.00 0.00 O ATOM 767 CB ASP A 48 2.079 -3.203 1.265 1.00 0.00 C ATOM 768 CG ASP A 48 3.036 -4.310 0.837 1.00 0.00 C ATOM 769 OD1 ASP A 48 4.012 -4.000 0.173 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.779 -5.453 1.178 1.00 0.00 O ATOM 0 H ASP A 48 3.308 -3.803 3.371 1.00 0.00 H new ATOM 0 HA ASP A 48 3.465 -1.568 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.244 -3.628 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.660 -2.713 0.386 1.00 0.00 H new ATOM 775 N ILE A 49 1.622 -0.071 2.278 1.00 0.00 N ATOM 776 CA ILE A 49 0.679 0.902 2.842 1.00 0.00 C ATOM 777 C ILE A 49 -0.588 0.966 1.992 1.00 0.00 C ATOM 778 O ILE A 49 -0.512 1.063 0.773 1.00 0.00 O ATOM 779 CB ILE A 49 1.338 2.286 2.877 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.794 2.155 3.350 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.563 3.209 3.821 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.854 1.473 4.722 1.00 0.00 C ATOM 0 H ILE A 49 2.114 0.255 1.446 1.00 0.00 H new ATOM 0 HA ILE A 49 0.412 0.592 3.852 1.00 0.00 H new ATOM 0 HB ILE A 49 1.325 2.714 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.367 1.577 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.254 3.141 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.037 4.190 3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.464 3.309 3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.563 2.786 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.893 1.389 5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.298 2.067 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.414 0.478 4.653 1.00 0.00 H new ATOM 794 N CYS A 50 -1.752 0.919 2.642 1.00 0.00 N ATOM 795 CA CYS A 50 -3.036 0.976 1.930 1.00 0.00 C ATOM 796 C CYS A 50 -3.626 2.383 2.012 1.00 0.00 C ATOM 797 O CYS A 50 -3.368 3.114 2.969 1.00 0.00 O ATOM 798 CB CYS A 50 -4.011 -0.023 2.554 1.00 0.00 C ATOM 799 SG CYS A 50 -3.173 -1.608 2.804 1.00 0.00 S ATOM 0 H CYS A 50 -1.835 0.842 3.656 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.870 0.723 0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.381 0.359 3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.877 -0.156 1.906 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.001 -2.457 3.337 1.00 0.00 H new ATOM 804 N ALA A 51 -4.413 2.764 1.004 1.00 0.00 N ATOM 805 CA ALA A 51 -5.016 4.096 0.993 1.00 0.00 C ATOM 806 C ALA A 51 -6.083 4.212 -0.102 1.00 0.00 C ATOM 807 O ALA A 51 -5.956 3.621 -1.172 1.00 0.00 O ATOM 808 CB ALA A 51 -3.918 5.148 0.781 1.00 0.00 C ATOM 0 H ALA A 51 -4.644 2.181 0.199 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.506 4.266 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.364 6.143 0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.191 5.083 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.418 4.966 -0.171 1.00 0.00 H new ATOM 814 N ASP A 52 -7.139 4.980 0.184 1.00 0.00 N ATOM 815 CA ASP A 52 -8.241 5.176 -0.766 1.00 0.00 C ATOM 816 C ASP A 52 -8.147 6.556 -1.448 1.00 0.00 C ATOM 817 O ASP A 52 -7.831 7.545 -0.787 1.00 0.00 O ATOM 818 CB ASP A 52 -9.566 5.087 -0.004 1.00 0.00 C ATOM 819 CG ASP A 52 -10.741 5.287 -0.953 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.745 6.283 -1.657 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.621 4.442 -0.961 1.00 0.00 O ATOM 0 H ASP A 52 -7.255 5.477 1.067 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.182 4.406 -1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.647 4.116 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.592 5.842 0.781 1.00 0.00 H new ATOM 826 N PRO A 53 -8.422 6.660 -2.740 1.00 0.00 N ATOM 827 CA PRO A 53 -8.366 7.970 -3.465 1.00 0.00 C ATOM 828 C PRO A 53 -9.445 8.946 -2.999 1.00 0.00 C ATOM 829 O PRO A 53 -10.450 9.147 -3.677 1.00 0.00 O ATOM 830 CB PRO A 53 -8.552 7.587 -4.943 1.00 0.00 C ATOM 831 CG PRO A 53 -9.287 6.289 -4.909 1.00 0.00 C ATOM 832 CD PRO A 53 -8.803 5.564 -3.656 1.00 0.00 C ATOM 0 HA PRO A 53 -7.429 8.495 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.117 8.348 -5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.592 7.485 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.364 6.451 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.082 5.701 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.586 4.939 -3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.957 4.911 -3.873 1.00 0.00 H new ATOM 840 N LYS A 54 -9.208 9.557 -1.845 1.00 0.00 N ATOM 841 CA LYS A 54 -10.138 10.530 -1.283 1.00 0.00 C ATOM 842 C LYS A 54 -9.368 11.485 -0.375 1.00 0.00 C ATOM 843 O LYS A 54 -9.654 12.682 -0.326 1.00 0.00 O ATOM 844 CB LYS A 54 -11.257 9.803 -0.497 1.00 0.00 C ATOM 845 CG LYS A 54 -12.551 9.752 -1.327 1.00 0.00 C ATOM 846 CD LYS A 54 -13.584 8.848 -0.638 1.00 0.00 C ATOM 847 CE LYS A 54 -13.244 7.367 -0.860 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.464 6.543 -0.629 1.00 0.00 N ATOM 0 H LYS A 54 -8.376 9.395 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.607 11.101 -2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.937 8.791 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.442 10.319 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.957 10.757 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.336 9.376 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.609 9.064 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.579 9.060 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.875 7.215 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.449 7.059 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.238 5.539 -0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.797 6.682 0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.210 6.833 -1.294 1.00 0.00 H new ATOM 862 N LYS A 55 -8.374 10.947 0.326 1.00 0.00 N ATOM 863 CA LYS A 55 -7.548 11.760 1.211 1.00 0.00 C ATOM 864 C LYS A 55 -6.556 12.558 0.355 1.00 0.00 C ATOM 865 O LYS A 55 -6.025 12.049 -0.629 1.00 0.00 O ATOM 866 CB LYS A 55 -6.820 10.866 2.251 1.00 0.00 C ATOM 867 CG LYS A 55 -7.331 9.416 2.145 1.00 0.00 C ATOM 868 CD LYS A 55 -6.765 8.556 3.291 1.00 0.00 C ATOM 869 CE LYS A 55 -7.618 8.712 4.558 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.042 8.399 4.249 1.00 0.00 N ATOM 0 H LYS A 55 -8.123 9.959 0.299 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.171 12.456 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.744 10.895 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.992 11.249 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.420 9.405 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.038 8.991 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.741 7.509 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.737 8.851 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.251 8.046 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.534 9.729 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.504 8.011 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.532 9.268 3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.085 7.700 3.481 1.00 0.00 H new ATOM 884 N LYS A 56 -6.354 13.819 0.710 1.00 0.00 N ATOM 885 CA LYS A 56 -5.474 14.699 -0.060 1.00 0.00 C ATOM 886 C LYS A 56 -4.135 14.054 -0.428 1.00 0.00 C ATOM 887 O LYS A 56 -3.776 14.009 -1.605 1.00 0.00 O ATOM 888 CB LYS A 56 -5.211 15.984 0.731 1.00 0.00 C ATOM 889 CG LYS A 56 -4.645 17.060 -0.204 1.00 0.00 C ATOM 890 CD LYS A 56 -3.994 18.173 0.622 1.00 0.00 C ATOM 891 CE LYS A 56 -4.989 18.700 1.660 1.00 0.00 C ATOM 892 NZ LYS A 56 -5.069 17.744 2.802 1.00 0.00 N ATOM 0 H LYS A 56 -6.784 14.259 1.524 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.992 14.913 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.135 16.336 1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.509 15.787 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.912 16.619 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.441 17.472 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.102 17.794 1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.674 18.984 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.675 19.682 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.972 18.825 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.142 18.274 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.907 17.139 2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.214 17.152 2.820 1.00 0.00 H new ATOM 906 N TRP A 57 -3.376 13.598 0.563 1.00 0.00 N ATOM 907 CA TRP A 57 -2.064 13.014 0.279 1.00 0.00 C ATOM 908 C TRP A 57 -2.155 11.857 -0.712 1.00 0.00 C ATOM 909 O TRP A 57 -1.281 11.701 -1.565 1.00 0.00 O ATOM 910 CB TRP A 57 -1.382 12.549 1.569 1.00 0.00 C ATOM 911 CG TRP A 57 -2.041 11.315 2.095 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.164 11.300 2.846 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.632 9.923 1.936 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.472 9.991 3.159 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.561 9.105 2.621 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.559 9.294 1.272 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.432 7.717 2.647 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.427 7.896 1.298 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.362 7.111 1.984 1.00 0.00 C ATOM 0 H TRP A 57 -3.636 13.618 1.549 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.460 13.798 -0.179 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.327 12.352 1.379 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.428 13.340 2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.728 12.169 3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.277 9.712 3.721 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.166 9.891 0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.155 7.114 3.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.399 7.424 0.787 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.256 6.036 2.001 1.00 0.00 H new ATOM 930 N VAL A 58 -3.201 11.047 -0.607 1.00 0.00 N ATOM 931 CA VAL A 58 -3.347 9.920 -1.522 1.00 0.00 C ATOM 932 C VAL A 58 -3.353 10.411 -2.965 1.00 0.00 C ATOM 933 O VAL A 58 -2.568 9.946 -3.786 1.00 0.00 O ATOM 934 CB VAL A 58 -4.651 9.161 -1.234 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.900 8.103 -2.319 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.558 8.477 0.135 1.00 0.00 C ATOM 0 H VAL A 58 -3.945 11.144 0.084 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.503 9.247 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.478 9.871 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.827 7.572 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.978 8.590 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.071 7.395 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.484 7.939 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.724 7.775 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.400 9.229 0.908 1.00 0.00 H new ATOM 946 N GLN A 59 -4.249 11.345 -3.265 1.00 0.00 N ATOM 947 CA GLN A 59 -4.358 11.880 -4.617 1.00 0.00 C ATOM 948 C GLN A 59 -3.076 12.607 -5.029 1.00 0.00 C ATOM 949 O GLN A 59 -2.702 12.607 -6.201 1.00 0.00 O ATOM 950 CB GLN A 59 -5.560 12.839 -4.713 1.00 0.00 C ATOM 951 CG GLN A 59 -6.697 12.360 -3.788 1.00 0.00 C ATOM 952 CD GLN A 59 -8.049 12.838 -4.313 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.346 14.032 -4.267 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.889 11.973 -4.812 1.00 0.00 N ATOM 0 H GLN A 59 -4.906 11.745 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.510 11.043 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.254 13.847 -4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.915 12.888 -5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.689 11.272 -3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.537 12.739 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.641 10.984 -4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.794 12.286 -5.165 1.00 0.00 H new ATOM 963 N ASP A 60 -2.422 13.238 -4.063 1.00 0.00 N ATOM 964 CA ASP A 60 -1.197 13.981 -4.342 1.00 0.00 C ATOM 965 C ASP A 60 -0.013 13.048 -4.596 1.00 0.00 C ATOM 966 O ASP A 60 0.908 13.396 -5.336 1.00 0.00 O ATOM 967 CB ASP A 60 -0.873 14.904 -3.165 1.00 0.00 C ATOM 968 CG ASP A 60 0.171 15.935 -3.582 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.130 16.734 -4.452 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.256 15.909 -3.024 1.00 0.00 O ATOM 0 H ASP A 60 -2.715 13.252 -3.086 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.364 14.568 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.779 15.408 -2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.502 14.318 -2.324 1.00 0.00 H new ATOM 975 N SER A 61 -0.022 11.874 -3.969 1.00 0.00 N ATOM 976 CA SER A 61 1.081 10.930 -4.139 1.00 0.00 C ATOM 977 C SER A 61 1.114 10.349 -5.553 1.00 0.00 C ATOM 978 O SER A 61 2.154 10.378 -6.212 1.00 0.00 O ATOM 979 CB SER A 61 0.970 9.795 -3.119 1.00 0.00 C ATOM 980 OG SER A 61 1.718 8.678 -3.582 1.00 0.00 O ATOM 0 H SER A 61 -0.767 11.557 -3.349 1.00 0.00 H new ATOM 0 HA SER A 61 2.009 11.478 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.345 10.123 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.074 9.516 -2.979 1.00 0.00 H new ATOM 0 HG SER A 61 1.120 7.912 -3.704 1.00 0.00 H new ATOM 986 N MET A 62 -0.016 9.823 -6.022 1.00 0.00 N ATOM 987 CA MET A 62 -0.063 9.249 -7.366 1.00 0.00 C ATOM 988 C MET A 62 0.218 10.330 -8.405 1.00 0.00 C ATOM 989 O MET A 62 0.942 10.102 -9.374 1.00 0.00 O ATOM 990 CB MET A 62 -1.430 8.602 -7.635 1.00 0.00 C ATOM 991 CG MET A 62 -2.541 9.468 -7.041 1.00 0.00 C ATOM 992 SD MET A 62 -4.112 9.059 -7.839 1.00 0.00 S ATOM 993 CE MET A 62 -4.544 7.664 -6.772 1.00 0.00 C ATOM 0 H MET A 62 -0.894 9.782 -5.505 1.00 0.00 H new ATOM 0 HA MET A 62 0.702 8.476 -7.438 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.582 8.485 -8.708 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.462 7.604 -7.198 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.612 9.301 -5.966 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.311 10.524 -7.185 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.239 7.007 -7.295 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.642 7.108 -6.517 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.012 8.035 -5.860 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.352 11.512 -8.188 1.00 0.00 N ATOM 1004 CA LYS A 63 -0.146 12.627 -9.104 1.00 0.00 C ATOM 1005 C LYS A 63 1.333 12.997 -9.135 1.00 0.00 C ATOM 1006 O LYS A 63 1.904 13.250 -10.196 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.981 13.831 -8.646 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.651 15.071 -9.491 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.796 14.748 -10.985 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.961 16.045 -11.782 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.256 16.688 -11.420 1.00 0.00 N ATOM 0 H LYS A 63 -0.955 11.721 -7.392 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.461 12.337 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.042 13.598 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.784 14.038 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.317 15.891 -9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.365 15.404 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.081 14.204 -11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.658 14.100 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.134 16.723 -11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.934 15.834 -12.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.618 17.222 -12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.944 15.956 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.110 17.335 -10.619 1.00 0.00 H new ATOM 1025 N TYR A 64 1.944 13.016 -7.957 1.00 0.00 N ATOM 1026 CA TYR A 64 3.360 13.342 -7.835 1.00 0.00 C ATOM 1027 C TYR A 64 4.194 12.354 -8.656 1.00 0.00 C ATOM 1028 O TYR A 64 5.126 12.745 -9.359 1.00 0.00 O ATOM 1029 CB TYR A 64 3.751 13.307 -6.337 1.00 0.00 C ATOM 1030 CG TYR A 64 5.183 12.842 -6.145 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.214 13.415 -6.900 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.475 11.837 -5.212 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.533 12.984 -6.723 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.795 11.407 -5.036 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.824 11.980 -5.791 1.00 0.00 C ATOM 1036 OH TYR A 64 9.126 11.556 -5.617 1.00 0.00 O ATOM 0 H TYR A 64 1.481 12.809 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 64 3.555 14.341 -8.225 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.629 14.300 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.076 12.641 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.991 14.190 -7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.681 11.395 -4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.328 13.426 -7.306 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.019 10.633 -4.317 1.00 0.00 H new ATOM 0 HH TYR A 64 9.153 10.855 -4.932 1.00 0.00 H new ATOM 1046 N LEU A 65 3.855 11.075 -8.548 1.00 0.00 N ATOM 1047 CA LEU A 65 4.580 10.037 -9.271 1.00 0.00 C ATOM 1048 C LEU A 65 4.360 10.166 -10.772 1.00 0.00 C ATOM 1049 O LEU A 65 5.135 9.641 -11.572 1.00 0.00 O ATOM 1050 CB LEU A 65 4.114 8.657 -8.793 1.00 0.00 C ATOM 1051 CG LEU A 65 4.578 8.428 -7.330 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.665 7.400 -6.611 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.051 7.933 -7.319 1.00 0.00 C ATOM 0 H LEU A 65 3.087 10.733 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 65 5.645 10.154 -9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.028 8.587 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.521 7.880 -9.440 1.00 0.00 H new ATOM 0 HG LEU A 65 4.509 9.374 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.012 7.258 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.640 7.770 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.700 6.448 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.373 7.773 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.124 6.996 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.690 8.682 -7.787 1.00 0.00 H new ATOM 1065 N ASP A 66 3.299 10.865 -11.147 1.00 0.00 N ATOM 1066 CA ASP A 66 2.981 11.057 -12.555 1.00 0.00 C ATOM 1067 C ASP A 66 4.083 11.852 -13.255 1.00 0.00 C ATOM 1068 O ASP A 66 4.357 11.641 -14.436 1.00 0.00 O ATOM 1069 CB ASP A 66 1.647 11.796 -12.679 1.00 0.00 C ATOM 1070 CG ASP A 66 1.048 11.581 -14.067 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.684 10.456 -14.367 1.00 0.00 O ATOM 1072 OD2 ASP A 66 0.962 12.546 -14.809 1.00 0.00 O ATOM 0 H ASP A 66 2.646 11.307 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 66 2.905 10.081 -13.034 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.954 11.439 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.796 12.861 -12.501 1.00 0.00 H new ATOM 1077 N GLN A 67 4.706 12.766 -12.518 1.00 0.00 N ATOM 1078 CA GLN A 67 5.772 13.589 -13.079 1.00 0.00 C ATOM 1079 C GLN A 67 6.973 12.731 -13.466 1.00 0.00 C ATOM 1080 O GLN A 67 7.442 12.782 -14.604 1.00 0.00 O ATOM 1081 CB GLN A 67 6.206 14.645 -12.062 1.00 0.00 C ATOM 1082 CG GLN A 67 4.974 15.385 -11.537 1.00 0.00 C ATOM 1083 CD GLN A 67 5.389 16.406 -10.483 1.00 0.00 C ATOM 1084 OE1 GLN A 67 6.311 17.191 -10.706 1.00 0.00 O ATOM 1085 NE2 GLN A 67 4.759 16.444 -9.340 1.00 0.00 N ATOM 0 H GLN A 67 4.494 12.955 -11.538 1.00 0.00 H new ATOM 0 HA GLN A 67 5.389 14.079 -13.974 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.739 14.173 -11.237 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.896 15.350 -12.526 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.463 15.886 -12.359 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.268 14.674 -11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.995 15.793 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.030 17.125 -8.630 1.00 0.00 H new ATOM 1094 N LYS A 68 7.470 11.945 -12.514 1.00 0.00 N ATOM 1095 CA LYS A 68 8.622 11.084 -12.770 1.00 0.00 C ATOM 1096 C LYS A 68 8.188 9.789 -13.452 1.00 0.00 C ATOM 1097 O LYS A 68 8.990 9.124 -14.107 1.00 0.00 O ATOM 1098 CB LYS A 68 9.342 10.762 -11.457 1.00 0.00 C ATOM 1099 CG LYS A 68 8.365 10.088 -10.486 1.00 0.00 C ATOM 1100 CD LYS A 68 9.003 9.965 -9.093 1.00 0.00 C ATOM 1101 CE LYS A 68 9.971 8.777 -9.059 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.470 8.586 -7.669 1.00 0.00 N ATOM 0 H LYS A 68 7.097 11.886 -11.566 1.00 0.00 H new ATOM 0 HA LYS A 68 9.305 11.615 -13.433 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.191 10.106 -11.648 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.738 11.676 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.445 10.669 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.094 9.100 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.534 10.884 -8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.227 9.833 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.468 7.874 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.807 8.955 -9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.127 7.780 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.964 9.446 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.667 8.398 -7.035 1.00 0.00 H new ATOM 1116 N SER A 69 6.914 9.440 -13.299 1.00 0.00 N ATOM 1117 CA SER A 69 6.389 8.225 -13.914 1.00 0.00 C ATOM 1118 C SER A 69 7.336 7.046 -13.674 1.00 0.00 C ATOM 1119 O SER A 69 8.188 6.753 -14.514 1.00 0.00 O ATOM 1120 CB SER A 69 6.225 8.440 -15.418 1.00 0.00 C ATOM 1121 OG SER A 69 7.508 8.534 -16.022 1.00 0.00 O ATOM 0 H SER A 69 6.232 9.975 -12.761 1.00 0.00 H new ATOM 0 HA SER A 69 5.422 8.000 -13.463 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.664 7.614 -15.856 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.654 9.349 -15.607 1.00 0.00 H new ATOM 0 HG SER A 69 8.195 8.271 -15.374 1.00 0.00 H new ATOM 1127 N PRO A 70 7.214 6.368 -12.558 1.00 0.00 N ATOM 1128 CA PRO A 70 8.088 5.209 -12.227 1.00 0.00 C ATOM 1129 C PRO A 70 7.581 3.911 -12.855 1.00 0.00 C ATOM 1130 O PRO A 70 6.407 3.564 -12.727 1.00 0.00 O ATOM 1131 CB PRO A 70 8.019 5.157 -10.701 1.00 0.00 C ATOM 1132 CG PRO A 70 6.641 5.642 -10.365 1.00 0.00 C ATOM 1133 CD PRO A 70 6.235 6.623 -11.482 1.00 0.00 C ATOM 0 HA PRO A 70 9.102 5.319 -12.611 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.183 4.145 -10.332 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.783 5.790 -10.248 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.940 4.809 -10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.630 6.135 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.215 6.442 -11.820 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.279 7.657 -11.140 1.00 0.00 H new ATOM 1368 N ASP B 218 8.192 11.032 11.912 1.00 0.00 N ATOM 1369 CA ASP B 218 8.925 12.239 12.275 1.00 0.00 C ATOM 1370 C ASP B 218 10.205 11.880 13.022 1.00 0.00 C ATOM 1371 O ASP B 218 11.194 12.610 12.967 1.00 0.00 O ATOM 1372 CB ASP B 218 8.054 13.138 13.156 1.00 0.00 C ATOM 1373 CG ASP B 218 8.831 14.386 13.557 1.00 0.00 C ATOM 1374 OD1 ASP B 218 9.146 15.171 12.678 1.00 0.00 O ATOM 1375 OD2 ASP B 218 9.101 14.538 14.737 1.00 0.00 O ATOM 0 HA ASP B 218 9.185 12.772 11.361 1.00 0.00 H new ATOM 0 HB2 ASP B 218 7.149 13.420 12.619 1.00 0.00 H new ATOM 0 HB3 ASP B 218 7.740 12.594 14.046 1.00 0.00 H new ATOM 1380 N ASP B 219 10.178 10.748 13.719 1.00 0.00 N ATOM 1381 CA ASP B 219 11.342 10.297 14.472 1.00 0.00 C ATOM 1382 C ASP B 219 12.431 9.803 13.527 1.00 0.00 C ATOM 1383 O ASP B 219 13.619 9.912 13.827 1.00 0.00 O ATOM 1384 CB ASP B 219 10.943 9.171 15.428 1.00 0.00 C ATOM 1385 CG ASP B 219 10.099 9.729 16.568 1.00 0.00 C ATOM 1386 OD1 ASP B 219 10.551 10.660 17.212 1.00 0.00 O ATOM 1387 OD2 ASP B 219 9.013 9.215 16.782 1.00 0.00 O ATOM 0 H ASP B 219 9.368 10.130 13.778 1.00 0.00 H new ATOM 0 HA ASP B 219 11.729 11.139 15.046 1.00 0.00 H new ATOM 0 HB2 ASP B 219 10.382 8.407 14.889 1.00 0.00 H new ATOM 0 HB3 ASP B 219 11.835 8.689 15.827 1.00 0.00 H new ATOM 1392 N VAL B 220 12.009 9.263 12.385 1.00 0.00 N ATOM 1393 CA VAL B 220 12.939 8.745 11.382 1.00 0.00 C ATOM 1394 C VAL B 220 13.660 7.502 11.898 1.00 0.00 C ATOM 1395 O VAL B 220 13.871 6.546 11.152 1.00 0.00 O ATOM 1396 CB VAL B 220 13.962 9.816 10.987 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.665 9.396 9.694 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.246 11.153 10.765 1.00 0.00 C ATOM 0 H VAL B 220 11.025 9.172 12.130 1.00 0.00 H new ATOM 0 HA VAL B 220 12.359 8.470 10.501 1.00 0.00 H new ATOM 0 HB VAL B 220 14.697 9.926 11.784 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.393 10.157 9.412 1.00 0.00 H new ATOM 0 HG12 VAL B 220 15.175 8.446 9.850 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.928 9.286 8.898 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.974 11.914 10.484 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.510 11.044 9.968 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.744 11.454 11.684 1.00 0.00 H new ATOM 1408 N GLY B 221 14.028 7.513 13.176 1.00 0.00 N ATOM 1409 CA GLY B 221 14.713 6.372 13.767 1.00 0.00 C ATOM 1410 C GLY B 221 13.793 5.158 13.793 1.00 0.00 C ATOM 1411 O GLY B 221 14.224 4.042 14.083 1.00 0.00 O ATOM 0 H GLY B 221 13.865 8.291 13.815 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.612 6.143 13.195 1.00 0.00 H new ATOM 0 HA3 GLY B 221 15.033 6.616 14.780 1.00 0.00 H new ATOM 1415 N LEU B 222 12.521 5.390 13.487 1.00 0.00 N ATOM 1416 CA LEU B 222 11.534 4.319 13.472 1.00 0.00 C ATOM 1417 C LEU B 222 11.651 3.515 12.179 1.00 0.00 C ATOM 1418 O LEU B 222 11.073 3.882 11.155 1.00 0.00 O ATOM 1419 CB LEU B 222 10.126 4.918 13.595 1.00 0.00 C ATOM 1420 CG LEU B 222 9.056 3.841 13.369 1.00 0.00 C ATOM 1421 CD1 LEU B 222 9.333 2.628 14.264 1.00 0.00 C ATOM 1422 CD2 LEU B 222 7.682 4.425 13.708 1.00 0.00 C ATOM 0 H LEU B 222 12.151 6.309 13.246 1.00 0.00 H new ATOM 0 HA LEU B 222 11.716 3.652 14.315 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.999 5.362 14.582 1.00 0.00 H new ATOM 0 HB3 LEU B 222 10.002 5.720 12.867 1.00 0.00 H new ATOM 0 HG LEU B 222 9.077 3.522 12.327 1.00 0.00 H new ATOM 0 HD11 LEU B 222 8.568 1.870 14.096 1.00 0.00 H new ATOM 0 HD12 LEU B 222 10.313 2.215 14.024 1.00 0.00 H new ATOM 0 HD13 LEU B 222 9.315 2.936 15.310 1.00 0.00 H new ATOM 0 HD21 LEU B 222 6.915 3.666 13.550 1.00 0.00 H new ATOM 0 HD22 LEU B 222 7.669 4.743 14.751 1.00 0.00 H new ATOM 0 HD23 LEU B 222 7.482 5.282 13.065 1.00 0.00 H new ATOM 1434 N LEU B 223 12.402 2.421 12.233 1.00 0.00 N ATOM 1435 CA LEU B 223 12.588 1.576 11.059 1.00 0.00 C ATOM 1436 C LEU B 223 13.390 0.329 11.426 1.00 0.00 C ATOM 1437 O LEU B 223 14.548 0.477 11.782 1.00 0.00 O ATOM 1438 CB LEU B 223 13.316 2.368 9.961 1.00 0.00 C ATOM 1439 CG LEU B 223 13.737 1.440 8.812 1.00 0.00 C ATOM 1440 CD1 LEU B 223 12.548 0.582 8.366 1.00 0.00 C ATOM 1441 CD2 LEU B 223 14.222 2.291 7.635 1.00 0.00 C ATOM 1442 OXT LEU B 223 12.834 -0.754 11.345 1.00 0.00 O ATOM 0 H LEU B 223 12.889 2.100 13.070 1.00 0.00 H new ATOM 0 HA LEU B 223 11.612 1.264 10.688 1.00 0.00 H new ATOM 0 HB2 LEU B 223 12.664 3.154 9.580 1.00 0.00 H new ATOM 0 HB3 LEU B 223 14.195 2.858 10.381 1.00 0.00 H new ATOM 0 HG LEU B 223 14.538 0.784 9.152 1.00 0.00 H new ATOM 0 HD11 LEU B 223 12.857 -0.072 7.551 1.00 0.00 H new ATOM 0 HD12 LEU B 223 12.200 -0.022 9.204 1.00 0.00 H new ATOM 0 HD13 LEU B 223 11.740 1.229 8.025 1.00 0.00 H new ATOM 0 HD21 LEU B 223 14.523 1.639 6.815 1.00 0.00 H new ATOM 0 HD22 LEU B 223 13.416 2.945 7.302 1.00 0.00 H new ATOM 0 HD23 LEU B 223 15.073 2.895 7.949 1.00 0.00 H new