USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 264 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 12 GLN : amide:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= 0.336 (180deg=-0.236) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 5 8.613 3.532 -2.442 1.00 0.00 N ATOM 64 CA GLN A 5 7.862 4.757 -2.689 1.00 0.00 C ATOM 65 C GLN A 5 7.598 5.506 -1.387 1.00 0.00 C ATOM 66 O GLN A 5 6.686 6.329 -1.309 1.00 0.00 O ATOM 67 CB GLN A 5 6.538 4.437 -3.385 1.00 0.00 C ATOM 68 CG GLN A 5 5.547 3.700 -2.498 1.00 0.00 C ATOM 69 CD GLN A 5 4.408 3.081 -3.284 1.00 0.00 C ATOM 70 OE1 GLN A 5 3.403 3.736 -3.561 1.00 0.00 O ATOM 71 NE2 GLN A 5 4.560 1.814 -3.649 1.00 0.00 N ATOM 0 HA GLN A 5 8.461 5.395 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.084 5.366 -3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.739 3.834 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.070 2.918 -1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.140 4.392 -1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.410 1.309 -3.398 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.827 1.345 -4.181 1.00 0.00 H new ATOM 80 N GLN A 6 8.401 5.215 -0.369 1.00 0.00 N ATOM 81 CA GLN A 6 8.251 5.860 0.930 1.00 0.00 C ATOM 82 C GLN A 6 8.990 7.194 0.963 1.00 0.00 C ATOM 83 O GLN A 6 8.632 8.093 1.723 1.00 0.00 O ATOM 84 CB GLN A 6 8.773 4.946 2.040 1.00 0.00 C ATOM 85 CG GLN A 6 8.279 5.329 3.426 1.00 0.00 C ATOM 86 CD GLN A 6 9.073 6.468 4.034 1.00 0.00 C ATOM 87 OE1 GLN A 6 10.293 6.542 3.879 1.00 0.00 O ATOM 88 NE2 GLN A 6 8.385 7.363 4.733 1.00 0.00 N ATOM 0 H GLN A 6 9.162 4.537 -0.418 1.00 0.00 H new ATOM 0 HA GLN A 6 7.190 6.049 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.472 3.920 1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.863 4.966 2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.229 5.614 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.337 4.460 4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.375 7.263 4.836 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.866 8.151 5.167 1.00 0.00 H new ATOM 97 N GLU A 7 10.023 7.313 0.135 1.00 0.00 N ATOM 98 CA GLU A 7 10.812 8.538 0.071 1.00 0.00 C ATOM 99 C GLU A 7 10.023 9.659 -0.597 1.00 0.00 C ATOM 100 O GLU A 7 10.173 10.832 -0.252 1.00 0.00 O ATOM 101 CB GLU A 7 12.116 8.292 -0.692 1.00 0.00 C ATOM 102 CG GLU A 7 13.330 8.143 0.210 1.00 0.00 C ATOM 103 CD GLU A 7 14.597 7.835 -0.564 1.00 0.00 C ATOM 104 OE1 GLU A 7 15.025 8.693 -1.365 1.00 0.00 O ATOM 105 OE2 GLU A 7 15.160 6.738 -0.370 1.00 0.00 O ATOM 0 H GLU A 7 10.333 6.577 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 7 11.048 8.841 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.009 7.391 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.285 9.119 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.470 9.062 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.147 7.347 0.931 1.00 0.00 H new ATOM 112 N LEU A 8 9.181 9.291 -1.557 1.00 0.00 N ATOM 113 CA LEU A 8 8.366 10.265 -2.275 1.00 0.00 C ATOM 114 C LEU A 8 7.526 11.091 -1.306 1.00 0.00 C ATOM 115 O LEU A 8 7.490 12.318 -1.392 1.00 0.00 O ATOM 116 CB LEU A 8 7.456 9.556 -3.280 1.00 0.00 C ATOM 117 CG LEU A 8 6.658 10.462 -4.218 1.00 0.00 C ATOM 118 CD1 LEU A 8 7.586 11.409 -4.963 1.00 0.00 C ATOM 119 CD2 LEU A 8 5.843 9.630 -5.198 1.00 0.00 C ATOM 0 H LEU A 8 9.045 8.325 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 8 9.035 10.937 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.068 8.888 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.755 8.931 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 8 5.970 11.058 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.000 12.046 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.125 12.029 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.299 10.832 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.281 10.291 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.513 9.008 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.150 8.994 -4.647 1.00 0.00 H new ATOM 131 N GLU A 9 6.854 10.410 -0.384 1.00 0.00 N ATOM 132 CA GLU A 9 6.016 11.082 0.603 1.00 0.00 C ATOM 133 C GLU A 9 6.793 12.187 1.314 1.00 0.00 C ATOM 134 O GLU A 9 6.239 13.235 1.643 1.00 0.00 O ATOM 135 CB GLU A 9 5.487 10.076 1.627 1.00 0.00 C ATOM 136 CG GLU A 9 4.259 9.316 1.155 1.00 0.00 C ATOM 137 CD GLU A 9 3.828 8.240 2.132 1.00 0.00 C ATOM 138 OE1 GLU A 9 3.824 8.512 3.351 1.00 0.00 O ATOM 139 OE2 GLU A 9 3.493 7.126 1.677 1.00 0.00 O ATOM 0 H GLU A 9 6.873 9.394 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 9 5.173 11.533 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.276 9.363 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.245 10.603 2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.437 10.017 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.468 8.860 0.187 1.00 0.00 H new ATOM 146 N GLU A 10 8.079 11.942 1.546 1.00 0.00 N ATOM 147 CA GLU A 10 8.931 12.915 2.220 1.00 0.00 C ATOM 148 C GLU A 10 9.215 14.110 1.314 1.00 0.00 C ATOM 149 O GLU A 10 9.211 15.257 1.760 1.00 0.00 O ATOM 150 CB GLU A 10 10.247 12.263 2.649 1.00 0.00 C ATOM 151 CG GLU A 10 10.061 10.956 3.401 1.00 0.00 C ATOM 152 CD GLU A 10 11.257 10.604 4.265 1.00 0.00 C ATOM 153 OE1 GLU A 10 11.757 11.500 4.977 1.00 0.00 O ATOM 154 OE2 GLU A 10 11.692 9.435 4.229 1.00 0.00 O ATOM 0 H GLU A 10 8.553 11.080 1.278 1.00 0.00 H new ATOM 0 HA GLU A 10 8.403 13.269 3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.857 12.080 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.800 12.960 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.172 11.026 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.885 10.152 2.686 1.00 0.00 H new ATOM 161 N CYS A 11 9.462 13.831 0.038 1.00 0.00 N ATOM 162 CA CYS A 11 9.747 14.881 -0.933 1.00 0.00 C ATOM 163 C CYS A 11 8.549 15.812 -1.095 1.00 0.00 C ATOM 164 O CYS A 11 8.681 17.031 -0.992 1.00 0.00 O ATOM 165 CB CYS A 11 10.117 14.267 -2.285 1.00 0.00 C ATOM 166 SG CYS A 11 11.164 15.335 -3.325 1.00 0.00 S ATOM 0 H CYS A 11 9.470 12.887 -0.347 1.00 0.00 H new ATOM 0 HA CYS A 11 10.590 15.464 -0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.636 13.324 -2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.202 14.033 -2.829 1.00 0.00 H new ATOM 171 N GLN A 12 7.383 15.228 -1.349 1.00 0.00 N ATOM 172 CA GLN A 12 6.162 16.005 -1.525 1.00 0.00 C ATOM 173 C GLN A 12 5.780 16.719 -0.232 1.00 0.00 C ATOM 174 O GLN A 12 5.373 17.880 -0.250 1.00 0.00 O ATOM 175 CB GLN A 12 5.016 15.099 -1.978 1.00 0.00 C ATOM 176 CG GLN A 12 5.331 14.302 -3.234 1.00 0.00 C ATOM 177 CD GLN A 12 4.092 13.973 -4.043 1.00 0.00 C ATOM 178 OE1 GLN A 12 3.242 13.195 -3.609 1.00 0.00 O ATOM 179 NE2 GLN A 12 3.982 14.565 -5.226 1.00 0.00 N ATOM 0 H GLN A 12 7.258 14.220 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 12 6.347 16.756 -2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.769 14.408 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.131 15.709 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.025 14.869 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.835 13.376 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.710 15.203 -5.547 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.169 14.382 -5.814 1.00 0.00 H new ATOM 188 N ASN A 13 5.915 16.016 0.888 1.00 0.00 N ATOM 189 CA ASN A 13 5.582 16.583 2.190 1.00 0.00 C ATOM 190 C ASN A 13 6.355 17.875 2.435 1.00 0.00 C ATOM 191 O ASN A 13 5.814 18.843 2.970 1.00 0.00 O ATOM 192 CB ASN A 13 5.886 15.575 3.300 1.00 0.00 C ATOM 193 CG ASN A 13 5.785 16.190 4.683 1.00 0.00 C ATOM 194 OD1 ASN A 13 4.840 16.920 4.982 1.00 0.00 O ATOM 195 ND2 ASN A 13 6.762 15.897 5.533 1.00 0.00 N ATOM 0 H ASN A 13 6.252 15.054 0.920 1.00 0.00 H new ATOM 0 HA ASN A 13 4.516 16.812 2.197 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.192 14.737 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.889 15.172 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.749 16.282 6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.526 15.287 5.241 1.00 0.00 H new ATOM 202 N VAL A 14 7.623 17.883 2.039 1.00 0.00 N ATOM 203 CA VAL A 14 8.471 19.057 2.212 1.00 0.00 C ATOM 204 C VAL A 14 8.055 20.180 1.268 1.00 0.00 C ATOM 205 O VAL A 14 8.046 21.352 1.645 1.00 0.00 O ATOM 206 CB VAL A 14 9.954 18.720 1.970 1.00 0.00 C ATOM 207 CG1 VAL A 14 10.816 19.963 2.121 1.00 0.00 C ATOM 208 CG2 VAL A 14 10.413 17.624 2.920 1.00 0.00 C ATOM 0 H VAL A 14 8.086 17.090 1.596 1.00 0.00 H new ATOM 0 HA VAL A 14 8.346 19.388 3.243 1.00 0.00 H new ATOM 0 HB VAL A 14 10.063 18.354 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.860 19.705 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.502 20.714 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.705 20.363 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.463 17.398 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.290 17.960 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.815 16.727 2.757 1.00 0.00 H new ATOM 218 N CYS A 15 7.711 19.813 0.038 1.00 0.00 N ATOM 219 CA CYS A 15 7.295 20.789 -0.963 1.00 0.00 C ATOM 220 C CYS A 15 6.092 21.591 -0.473 1.00 0.00 C ATOM 221 O CYS A 15 6.023 22.804 -0.667 1.00 0.00 O ATOM 222 CB CYS A 15 6.952 20.086 -2.278 1.00 0.00 C ATOM 223 SG CYS A 15 8.376 19.290 -3.089 1.00 0.00 S ATOM 0 H CYS A 15 7.712 18.847 -0.290 1.00 0.00 H new ATOM 0 HA CYS A 15 8.124 21.477 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.189 19.332 -2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.517 20.813 -2.964 1.00 0.00 H new ATOM 228 N ARG A 16 5.149 20.903 0.162 1.00 0.00 N ATOM 229 CA ARG A 16 3.949 21.551 0.678 1.00 0.00 C ATOM 230 C ARG A 16 4.297 22.526 1.799 1.00 0.00 C ATOM 231 O ARG A 16 3.482 23.365 2.180 1.00 0.00 O ATOM 232 CB ARG A 16 2.958 20.503 1.188 1.00 0.00 C ATOM 233 CG ARG A 16 2.546 19.490 0.133 1.00 0.00 C ATOM 234 CD ARG A 16 2.280 18.124 0.746 1.00 0.00 C ATOM 235 NE ARG A 16 2.317 17.059 -0.252 1.00 0.00 N ATOM 236 CZ ARG A 16 1.324 16.811 -1.099 1.00 0.00 C ATOM 237 NH1 ARG A 16 0.222 17.548 -1.069 1.00 0.00 N ATOM 238 NH2 ARG A 16 1.432 15.824 -1.980 1.00 0.00 N ATOM 0 H ARG A 16 5.192 19.898 0.331 1.00 0.00 H new ATOM 0 HA ARG A 16 3.489 22.110 -0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.402 19.976 2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.067 21.009 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.650 19.841 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.331 19.406 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.022 17.923 1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.305 18.129 1.234 1.00 0.00 H new ATOM 0 HE ARG A 16 3.151 16.473 -0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.135 18.308 -0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.539 17.355 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.278 15.255 -2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.669 15.635 -2.630 1.00 0.00 H new ATOM 252 N MET A 17 5.512 22.408 2.323 1.00 0.00 N ATOM 253 CA MET A 17 5.968 23.279 3.399 1.00 0.00 C ATOM 254 C MET A 17 6.730 24.478 2.843 1.00 0.00 C ATOM 255 O MET A 17 7.307 25.264 3.595 1.00 0.00 O ATOM 256 CB MET A 17 6.857 22.502 4.372 1.00 0.00 C ATOM 257 CG MET A 17 6.081 21.794 5.471 1.00 0.00 C ATOM 258 SD MET A 17 6.970 21.764 7.040 1.00 0.00 S ATOM 259 CE MET A 17 5.637 22.094 8.190 1.00 0.00 C ATOM 0 H MET A 17 6.199 21.717 2.020 1.00 0.00 H new ATOM 0 HA MET A 17 5.090 23.644 3.933 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.435 21.765 3.814 1.00 0.00 H new ATOM 0 HB3 MET A 17 7.571 23.189 4.827 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.121 22.291 5.611 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.868 20.772 5.159 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.029 22.107 9.207 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.190 23.061 7.961 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.880 21.315 8.103 1.00 0.00 H new ATOM 269 N LYS A 18 6.729 24.612 1.521 1.00 0.00 N ATOM 270 CA LYS A 18 7.420 25.714 0.862 1.00 0.00 C ATOM 271 C LYS A 18 6.643 27.017 1.023 1.00 0.00 C ATOM 272 O LYS A 18 5.489 27.118 0.606 1.00 0.00 O ATOM 273 CB LYS A 18 7.616 25.405 -0.624 1.00 0.00 C ATOM 274 CG LYS A 18 8.539 24.227 -0.883 1.00 0.00 C ATOM 275 CD LYS A 18 9.976 24.551 -0.511 1.00 0.00 C ATOM 276 CE LYS A 18 10.779 24.993 -1.724 1.00 0.00 C ATOM 277 NZ LYS A 18 10.480 26.402 -2.105 1.00 0.00 N ATOM 0 H LYS A 18 6.257 23.970 0.884 1.00 0.00 H new ATOM 0 HA LYS A 18 8.396 25.832 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.645 25.201 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.019 26.288 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.199 23.365 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.489 23.949 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.989 25.339 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.444 23.674 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.843 24.893 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.559 24.335 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.238 26.764 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.575 26.439 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.418 26.988 -1.248 1.00 0.00 H new ATOM 291 N ARG A 19 7.283 28.012 1.629 1.00 0.00 N ATOM 292 CA ARG A 19 6.651 29.307 1.846 1.00 0.00 C ATOM 293 C ARG A 19 6.972 30.267 0.704 1.00 0.00 C ATOM 294 O ARG A 19 7.269 31.440 0.930 1.00 0.00 O ATOM 295 CB ARG A 19 7.111 29.908 3.175 1.00 0.00 C ATOM 296 CG ARG A 19 6.442 29.284 4.389 1.00 0.00 C ATOM 297 CD ARG A 19 6.829 30.006 5.671 1.00 0.00 C ATOM 298 NE ARG A 19 8.095 29.520 6.212 1.00 0.00 N ATOM 299 CZ ARG A 19 8.626 29.960 7.347 1.00 0.00 C ATOM 300 NH1 ARG A 19 8.004 30.892 8.057 1.00 0.00 N ATOM 301 NH2 ARG A 19 9.782 29.469 7.774 1.00 0.00 N ATOM 0 H ARG A 19 8.239 27.946 1.978 1.00 0.00 H new ATOM 0 HA ARG A 19 5.572 29.155 1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.191 29.788 3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.908 30.979 3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.359 29.315 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.725 28.234 4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.905 31.076 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.042 29.873 6.414 1.00 0.00 H new ATOM 0 HE ARG A 19 8.599 28.803 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.115 31.273 7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.414 31.228 8.928 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.264 28.753 7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.189 29.808 8.646 1.00 0.00 H new ATOM 315 N TRP A 20 6.912 29.760 -0.522 1.00 0.00 N ATOM 316 CA TRP A 20 7.197 30.572 -1.700 1.00 0.00 C ATOM 317 C TRP A 20 5.911 30.936 -2.434 1.00 0.00 C ATOM 318 O TRP A 20 5.545 32.108 -2.518 1.00 0.00 O ATOM 319 CB TRP A 20 8.143 29.826 -2.642 1.00 0.00 C ATOM 320 CG TRP A 20 9.583 30.199 -2.456 1.00 0.00 C ATOM 321 CD1 TRP A 20 10.359 30.924 -3.315 1.00 0.00 C ATOM 322 CD2 TRP A 20 10.418 29.864 -1.343 1.00 0.00 C ATOM 323 NE1 TRP A 20 11.626 31.060 -2.802 1.00 0.00 N ATOM 324 CE2 TRP A 20 11.688 30.419 -1.593 1.00 0.00 C ATOM 325 CE3 TRP A 20 10.216 29.151 -0.158 1.00 0.00 C ATOM 326 CZ2 TRP A 20 12.749 30.281 -0.702 1.00 0.00 C ATOM 327 CZ3 TRP A 20 11.270 29.014 0.725 1.00 0.00 C ATOM 328 CH2 TRP A 20 12.523 29.578 0.450 1.00 0.00 C ATOM 0 H TRP A 20 6.669 28.791 -0.727 1.00 0.00 H new ATOM 0 HA TRP A 20 7.677 31.493 -1.369 1.00 0.00 H new ATOM 0 HB2 TRP A 20 8.030 28.753 -2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.853 30.029 -3.673 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.026 31.330 -4.258 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.396 31.558 -3.249 1.00 0.00 H new ATOM 0 HE3 TRP A 20 9.253 28.715 0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.716 30.713 -0.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.126 28.463 1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.326 29.455 1.161 1.00 0.00 H new ATOM 339 N SER A 21 5.230 29.925 -2.964 1.00 0.00 N ATOM 340 CA SER A 21 3.986 30.141 -3.693 1.00 0.00 C ATOM 341 C SER A 21 3.365 28.812 -4.111 1.00 0.00 C ATOM 342 O SER A 21 4.058 27.802 -4.244 1.00 0.00 O ATOM 343 CB SER A 21 4.237 31.010 -4.927 1.00 0.00 C ATOM 344 OG SER A 21 5.191 30.411 -5.788 1.00 0.00 O ATOM 0 H SER A 21 5.519 28.949 -2.902 1.00 0.00 H new ATOM 0 HA SER A 21 3.290 30.656 -3.031 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.301 31.161 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.589 31.994 -4.617 1.00 0.00 H new ATOM 0 HG SER A 21 5.332 30.985 -6.570 1.00 0.00 H new ATOM 350 N THR A 22 2.051 28.819 -4.319 1.00 0.00 N ATOM 351 CA THR A 22 1.335 27.615 -4.721 1.00 0.00 C ATOM 352 C THR A 22 1.990 26.965 -5.934 1.00 0.00 C ATOM 353 O THR A 22 2.127 25.744 -5.996 1.00 0.00 O ATOM 354 CB THR A 22 -0.138 27.923 -5.051 1.00 0.00 C ATOM 355 OG1 THR A 22 -0.776 26.755 -5.581 1.00 0.00 O ATOM 356 CG2 THR A 22 -0.242 29.062 -6.054 1.00 0.00 C ATOM 0 H THR A 22 1.462 29.645 -4.216 1.00 0.00 H new ATOM 0 HA THR A 22 1.375 26.926 -3.877 1.00 0.00 H new ATOM 0 HB THR A 22 -0.638 28.224 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.712 26.959 -5.787 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.291 29.261 -6.271 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.218 29.958 -5.637 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.273 28.785 -6.974 1.00 0.00 H new ATOM 364 N GLU A 23 2.394 27.789 -6.896 1.00 0.00 N ATOM 365 CA GLU A 23 3.036 27.292 -8.107 1.00 0.00 C ATOM 366 C GLU A 23 4.271 26.462 -7.766 1.00 0.00 C ATOM 367 O GLU A 23 4.488 25.392 -8.333 1.00 0.00 O ATOM 368 CB GLU A 23 3.427 28.457 -9.018 1.00 0.00 C ATOM 369 CG GLU A 23 2.252 29.072 -9.759 1.00 0.00 C ATOM 370 CD GLU A 23 2.653 30.268 -10.601 1.00 0.00 C ATOM 371 OE1 GLU A 23 3.085 31.284 -10.020 1.00 0.00 O ATOM 372 OE2 GLU A 23 2.534 30.186 -11.841 1.00 0.00 O ATOM 0 H GLU A 23 2.288 28.803 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 23 2.324 26.654 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.912 29.228 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.161 28.109 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.797 28.317 -10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.493 29.378 -9.039 1.00 0.00 H new ATOM 379 N MET A 24 5.077 26.965 -6.837 1.00 0.00 N ATOM 380 CA MET A 24 6.290 26.271 -6.421 1.00 0.00 C ATOM 381 C MET A 24 5.954 24.947 -5.742 1.00 0.00 C ATOM 382 O MET A 24 6.653 23.950 -5.923 1.00 0.00 O ATOM 383 CB MET A 24 7.107 27.151 -5.473 1.00 0.00 C ATOM 384 CG MET A 24 8.067 28.087 -6.189 1.00 0.00 C ATOM 385 SD MET A 24 9.625 28.294 -5.304 1.00 0.00 S ATOM 386 CE MET A 24 10.774 28.433 -6.670 1.00 0.00 C ATOM 0 H MET A 24 4.912 27.850 -6.358 1.00 0.00 H new ATOM 0 HA MET A 24 6.882 26.062 -7.312 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.426 27.742 -4.861 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.673 26.512 -4.795 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.269 27.699 -7.187 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.593 29.060 -6.315 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.784 28.566 -6.283 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.733 27.526 -7.274 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.505 29.291 -7.286 1.00 0.00 H new ATOM 396 N VAL A 25 4.879 24.944 -4.960 1.00 0.00 N ATOM 397 CA VAL A 25 4.449 23.742 -4.256 1.00 0.00 C ATOM 398 C VAL A 25 3.985 22.669 -5.234 1.00 0.00 C ATOM 399 O VAL A 25 4.415 21.517 -5.158 1.00 0.00 O ATOM 400 CB VAL A 25 3.309 24.049 -3.267 1.00 0.00 C ATOM 401 CG1 VAL A 25 2.851 22.777 -2.569 1.00 0.00 C ATOM 402 CG2 VAL A 25 3.750 25.094 -2.253 1.00 0.00 C ATOM 0 H VAL A 25 4.290 25.761 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 25 5.312 23.374 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 25 2.465 24.452 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.045 23.013 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.493 22.064 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.687 22.342 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.932 25.299 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.610 24.721 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.024 26.012 -2.773 1.00 0.00 H new ATOM 412 N HIS A 26 3.104 23.054 -6.152 1.00 0.00 N ATOM 413 CA HIS A 26 2.583 22.125 -7.148 1.00 0.00 C ATOM 414 C HIS A 26 3.703 21.604 -8.044 1.00 0.00 C ATOM 415 O HIS A 26 3.802 20.403 -8.296 1.00 0.00 O ATOM 416 CB HIS A 26 1.509 22.805 -7.998 1.00 0.00 C ATOM 417 CG HIS A 26 0.478 21.858 -8.530 1.00 0.00 C ATOM 418 ND1 HIS A 26 0.065 21.856 -9.845 1.00 0.00 N ATOM 419 CD2 HIS A 26 -0.225 20.879 -7.915 1.00 0.00 C ATOM 420 CE1 HIS A 26 -0.848 20.917 -10.017 1.00 0.00 C ATOM 421 NE2 HIS A 26 -1.042 20.308 -8.860 1.00 0.00 N ATOM 0 H HIS A 26 2.736 24.002 -6.227 1.00 0.00 H new ATOM 0 HA HIS A 26 2.139 21.280 -6.623 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.014 23.570 -7.399 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.988 23.315 -8.834 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.156 20.599 -6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.350 20.686 -10.945 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.692 19.539 -8.696 1.00 0.00 H new ATOM 429 N ARG A 27 4.544 22.515 -8.522 1.00 0.00 N ATOM 430 CA ARG A 27 5.656 22.148 -9.391 1.00 0.00 C ATOM 431 C ARG A 27 6.644 21.247 -8.657 1.00 0.00 C ATOM 432 O ARG A 27 7.081 20.225 -9.187 1.00 0.00 O ATOM 433 CB ARG A 27 6.371 23.401 -9.898 1.00 0.00 C ATOM 434 CG ARG A 27 7.522 23.105 -10.845 1.00 0.00 C ATOM 435 CD ARG A 27 8.604 24.170 -10.757 1.00 0.00 C ATOM 436 NE ARG A 27 9.856 23.636 -10.229 1.00 0.00 N ATOM 437 CZ ARG A 27 10.739 22.969 -10.964 1.00 0.00 C ATOM 438 NH1 ARG A 27 10.508 22.756 -12.252 1.00 0.00 N ATOM 439 NH2 ARG A 27 11.856 22.514 -10.411 1.00 0.00 N ATOM 0 H ARG A 27 4.477 23.513 -8.322 1.00 0.00 H new ATOM 0 HA ARG A 27 5.253 21.599 -10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.649 24.040 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.750 23.963 -9.044 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.949 22.131 -10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.148 23.048 -11.867 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.779 24.592 -11.747 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.260 24.984 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 27 10.064 23.783 -9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.651 23.105 -12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.188 22.244 -12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.037 22.676 -9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.533 22.002 -10.976 1.00 0.00 H new ATOM 453 N CYS A 28 6.994 21.633 -7.434 1.00 0.00 N ATOM 454 CA CYS A 28 7.930 20.860 -6.626 1.00 0.00 C ATOM 455 C CYS A 28 7.426 19.434 -6.425 1.00 0.00 C ATOM 456 O CYS A 28 8.145 18.470 -6.682 1.00 0.00 O ATOM 457 CB CYS A 28 8.141 21.535 -5.269 1.00 0.00 C ATOM 458 SG CYS A 28 9.357 20.695 -4.203 1.00 0.00 S ATOM 0 H CYS A 28 6.643 22.477 -6.981 1.00 0.00 H new ATOM 0 HA CYS A 28 8.882 20.818 -7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.466 22.563 -5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.186 21.582 -4.746 1.00 0.00 H new ATOM 463 N GLU A 29 6.185 19.310 -5.963 1.00 0.00 N ATOM 464 CA GLU A 29 5.587 18.002 -5.725 1.00 0.00 C ATOM 465 C GLU A 29 5.709 17.115 -6.960 1.00 0.00 C ATOM 466 O GLU A 29 6.283 16.027 -6.903 1.00 0.00 O ATOM 467 CB GLU A 29 4.115 18.153 -5.335 1.00 0.00 C ATOM 468 CG GLU A 29 3.910 18.656 -3.916 1.00 0.00 C ATOM 469 CD GLU A 29 2.446 18.714 -3.524 1.00 0.00 C ATOM 470 OE1 GLU A 29 1.676 17.838 -3.971 1.00 0.00 O ATOM 471 OE2 GLU A 29 2.071 19.636 -2.770 1.00 0.00 O ATOM 0 H GLU A 29 5.575 20.099 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 29 6.126 17.528 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.633 18.842 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.618 17.189 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.442 18.005 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.348 19.650 -3.820 1.00 0.00 H new ATOM 478 N LYS A 30 5.165 17.587 -8.076 1.00 0.00 N ATOM 479 CA LYS A 30 5.213 16.839 -9.327 1.00 0.00 C ATOM 480 C LYS A 30 6.651 16.489 -9.697 1.00 0.00 C ATOM 481 O LYS A 30 6.954 15.346 -10.039 1.00 0.00 O ATOM 482 CB LYS A 30 4.569 17.649 -10.455 1.00 0.00 C ATOM 483 CG LYS A 30 3.066 17.453 -10.563 1.00 0.00 C ATOM 484 CD LYS A 30 2.570 17.713 -11.975 1.00 0.00 C ATOM 485 CE LYS A 30 1.095 18.082 -11.989 1.00 0.00 C ATOM 486 NZ LYS A 30 0.222 16.876 -12.031 1.00 0.00 N ATOM 0 H LYS A 30 4.685 18.485 -8.140 1.00 0.00 H new ATOM 0 HA LYS A 30 4.656 15.913 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.779 18.707 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.032 17.370 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.809 16.436 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.560 18.124 -9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.152 18.518 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.730 16.825 -12.587 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.859 18.670 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.886 18.712 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.776 17.170 -12.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.429 16.328 -12.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.402 16.287 -11.193 1.00 0.00 H new ATOM 500 N LYS A 31 7.534 17.479 -9.623 1.00 0.00 N ATOM 501 CA LYS A 31 8.941 17.276 -9.948 1.00 0.00 C ATOM 502 C LYS A 31 9.507 16.080 -9.189 1.00 0.00 C ATOM 503 O LYS A 31 10.265 15.283 -9.743 1.00 0.00 O ATOM 504 CB LYS A 31 9.748 18.533 -9.618 1.00 0.00 C ATOM 505 CG LYS A 31 9.727 19.578 -10.720 1.00 0.00 C ATOM 506 CD LYS A 31 10.556 19.143 -11.916 1.00 0.00 C ATOM 507 CE LYS A 31 12.045 19.308 -11.652 1.00 0.00 C ATOM 508 NZ LYS A 31 12.858 18.325 -12.420 1.00 0.00 N ATOM 0 H LYS A 31 7.300 18.431 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 31 9.017 17.074 -11.016 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.356 18.976 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.781 18.249 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.699 19.756 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.111 20.523 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.340 18.100 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.273 19.731 -12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.351 20.319 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.240 19.187 -10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.867 18.471 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.584 17.360 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.692 18.457 -13.438 1.00 0.00 H new ATOM 522 N CYS A 32 9.134 15.960 -7.920 1.00 0.00 N ATOM 523 CA CYS A 32 9.603 14.861 -7.085 1.00 0.00 C ATOM 524 C CYS A 32 9.065 13.526 -7.592 1.00 0.00 C ATOM 525 O CYS A 32 9.804 12.547 -7.696 1.00 0.00 O ATOM 526 CB CYS A 32 9.175 15.077 -5.632 1.00 0.00 C ATOM 527 SG CYS A 32 10.149 16.338 -4.750 1.00 0.00 S ATOM 0 H CYS A 32 8.508 16.611 -7.447 1.00 0.00 H new ATOM 0 HA CYS A 32 10.692 14.838 -7.136 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.124 15.366 -5.613 1.00 0.00 H new ATOM 0 HB3 CYS A 32 9.255 14.131 -5.096 1.00 0.00 H new ATOM 532 N GLU A 33 7.774 13.495 -7.905 1.00 0.00 N ATOM 533 CA GLU A 33 7.137 12.279 -8.400 1.00 0.00 C ATOM 534 C GLU A 33 7.656 11.921 -9.790 1.00 0.00 C ATOM 535 O GLU A 33 7.600 10.764 -10.205 1.00 0.00 O ATOM 536 CB GLU A 33 5.618 12.453 -8.441 1.00 0.00 C ATOM 537 CG GLU A 33 5.080 12.789 -9.821 1.00 0.00 C ATOM 538 CD GLU A 33 4.842 11.555 -10.671 1.00 0.00 C ATOM 539 OE1 GLU A 33 4.390 10.532 -10.116 1.00 0.00 O ATOM 540 OE2 GLU A 33 5.109 11.613 -11.889 1.00 0.00 O ATOM 0 H GLU A 33 7.148 14.297 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 33 7.384 11.466 -7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.146 11.535 -8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.333 13.243 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.145 13.341 -9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.784 13.447 -10.331 1.00 0.00 H new ATOM 547 N GLU A 34 8.160 12.923 -10.504 1.00 0.00 N ATOM 548 CA GLU A 34 8.687 12.714 -11.847 1.00 0.00 C ATOM 549 C GLU A 34 10.053 12.036 -11.796 1.00 0.00 C ATOM 550 O GLU A 34 10.266 10.995 -12.418 1.00 0.00 O ATOM 551 CB GLU A 34 8.795 14.047 -12.590 1.00 0.00 C ATOM 552 CG GLU A 34 7.453 14.713 -12.842 1.00 0.00 C ATOM 553 CD GLU A 34 6.920 14.443 -14.236 1.00 0.00 C ATOM 554 OE1 GLU A 34 7.359 13.452 -14.856 1.00 0.00 O ATOM 555 OE2 GLU A 34 6.064 15.221 -14.706 1.00 0.00 O ATOM 0 H GLU A 34 8.214 13.887 -10.175 1.00 0.00 H new ATOM 0 HA GLU A 34 7.997 12.062 -12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.425 14.725 -12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.294 13.882 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.732 14.358 -12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.553 15.789 -12.697 1.00 0.00 H new ATOM 562 N LYS A 35 10.977 12.634 -11.051 1.00 0.00 N ATOM 563 CA LYS A 35 12.322 12.089 -10.916 1.00 0.00 C ATOM 564 C LYS A 35 12.295 10.742 -10.201 1.00 0.00 C ATOM 565 O LYS A 35 13.273 9.994 -10.227 1.00 0.00 O ATOM 566 CB LYS A 35 13.216 13.067 -10.150 1.00 0.00 C ATOM 567 CG LYS A 35 14.391 13.582 -10.963 1.00 0.00 C ATOM 568 CD LYS A 35 15.600 12.670 -10.835 1.00 0.00 C ATOM 569 CE LYS A 35 16.858 13.335 -11.371 1.00 0.00 C ATOM 570 NZ LYS A 35 18.093 12.648 -10.900 1.00 0.00 N ATOM 0 H LYS A 35 10.818 13.497 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 35 12.729 11.941 -11.916 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.614 13.914 -9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.593 12.575 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.103 13.661 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.654 14.586 -10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.746 12.402 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.417 11.743 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.834 13.332 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.880 14.378 -11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.928 13.132 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.129 12.673 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.085 11.659 -11.223 1.00 0.00 H new ATOM 584 N PHE A 36 11.169 10.438 -9.565 1.00 0.00 N ATOM 585 CA PHE A 36 11.014 9.179 -8.844 1.00 0.00 C ATOM 586 C PHE A 36 10.825 8.017 -9.815 1.00 0.00 C ATOM 587 O PHE A 36 11.528 7.010 -9.737 1.00 0.00 O ATOM 588 CB PHE A 36 9.822 9.258 -7.888 1.00 0.00 C ATOM 589 CG PHE A 36 10.121 8.733 -6.513 1.00 0.00 C ATOM 590 CD1 PHE A 36 9.947 7.390 -6.217 1.00 0.00 C ATOM 591 CD2 PHE A 36 10.577 9.581 -5.517 1.00 0.00 C ATOM 592 CE1 PHE A 36 10.221 6.904 -4.952 1.00 0.00 C ATOM 593 CE2 PHE A 36 10.853 9.101 -4.250 1.00 0.00 C ATOM 594 CZ PHE A 36 10.676 7.760 -3.968 1.00 0.00 C ATOM 0 H PHE A 36 10.350 11.046 -9.534 1.00 0.00 H new ATOM 0 HA PHE A 36 11.922 9.004 -8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.498 10.296 -7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.990 8.695 -8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.593 6.716 -6.983 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.719 10.630 -5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.079 5.856 -4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.206 9.773 -3.482 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.893 7.382 -2.980 1.00 0.00 H new