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= -0.899 X(o=-0.9,f=-0.98) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.727 K(o=-0.73,f=-2.9) USER MOD Single : A 13 ASN : amide:sc= 0.277 K(o=0.28,f=-4.2!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -150:sc= -0.0311 (180deg=-0.108) USER MOD Single : A 26 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.067) 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 7.998 4.345 -2.617 1.00 0.00 N ATOM 64 CA GLN A 5 7.334 5.618 -2.362 1.00 0.00 C ATOM 65 C GLN A 5 8.101 6.434 -1.326 1.00 0.00 C ATOM 66 O GLN A 5 7.825 7.617 -1.127 1.00 0.00 O ATOM 67 CB GLN A 5 5.900 5.384 -1.884 1.00 0.00 C ATOM 68 CG GLN A 5 5.812 4.583 -0.595 1.00 0.00 C ATOM 69 CD GLN A 5 5.905 5.456 0.641 1.00 0.00 C ATOM 70 OE1 GLN A 5 5.125 6.393 0.814 1.00 0.00 O ATOM 71 NE2 GLN A 5 6.862 5.152 1.510 1.00 0.00 N ATOM 0 HA GLN A 5 7.310 6.180 -3.296 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.413 6.348 -1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.346 4.863 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.871 4.033 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.613 3.845 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.487 4.367 1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.972 5.704 2.361 1.00 0.00 H new ATOM 80 N GLN A 6 9.063 5.793 -0.670 1.00 0.00 N ATOM 81 CA GLN A 6 9.868 6.460 0.346 1.00 0.00 C ATOM 82 C GLN A 6 10.521 7.719 -0.215 1.00 0.00 C ATOM 83 O GLN A 6 10.754 8.685 0.511 1.00 0.00 O ATOM 84 CB GLN A 6 10.941 5.510 0.881 1.00 0.00 C ATOM 85 CG GLN A 6 11.707 6.065 2.072 1.00 0.00 C ATOM 86 CD GLN A 6 10.909 6.002 3.359 1.00 0.00 C ATOM 87 OE1 GLN A 6 10.408 7.017 3.843 1.00 0.00 O ATOM 88 NE2 GLN A 6 10.787 4.805 3.922 1.00 0.00 N ATOM 0 H GLN A 6 9.304 4.814 -0.824 1.00 0.00 H new ATOM 0 HA GLN A 6 9.208 6.749 1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.471 4.569 1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.645 5.283 0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 6 12.634 5.505 2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 6 11.984 7.100 1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.219 3.990 3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.261 4.701 4.790 1.00 0.00 H new ATOM 97 N GLU A 7 10.814 7.700 -1.511 1.00 0.00 N ATOM 98 CA GLU A 7 11.440 8.841 -2.169 1.00 0.00 C ATOM 99 C GLU A 7 10.431 9.966 -2.384 1.00 0.00 C ATOM 100 O GLU A 7 10.771 11.146 -2.289 1.00 0.00 O ATOM 101 CB GLU A 7 12.042 8.418 -3.511 1.00 0.00 C ATOM 102 CG GLU A 7 13.549 8.594 -3.585 1.00 0.00 C ATOM 103 CD GLU A 7 14.302 7.468 -2.904 1.00 0.00 C ATOM 104 OE1 GLU A 7 13.795 6.327 -2.907 1.00 0.00 O ATOM 105 OE2 GLU A 7 15.400 7.728 -2.368 1.00 0.00 O ATOM 0 H GLU A 7 10.628 6.908 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 7 12.236 9.209 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.797 7.372 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.577 8.999 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.854 8.650 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.824 9.542 -3.122 1.00 0.00 H new ATOM 112 N LEU A 8 9.190 9.592 -2.675 1.00 0.00 N ATOM 113 CA LEU A 8 8.131 10.568 -2.903 1.00 0.00 C ATOM 114 C LEU A 8 7.964 11.483 -1.694 1.00 0.00 C ATOM 115 O LEU A 8 7.917 12.705 -1.830 1.00 0.00 O ATOM 116 CB LEU A 8 6.810 9.857 -3.203 1.00 0.00 C ATOM 117 CG LEU A 8 5.668 10.743 -3.702 1.00 0.00 C ATOM 118 CD1 LEU A 8 6.111 11.555 -4.909 1.00 0.00 C ATOM 119 CD2 LEU A 8 4.449 9.899 -4.043 1.00 0.00 C ATOM 0 H LEU A 8 8.893 8.620 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 8 8.412 11.177 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.997 9.086 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.480 9.350 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 8 5.395 11.435 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.285 12.179 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.954 12.188 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.411 10.881 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.646 10.546 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.709 9.183 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.118 9.362 -3.154 1.00 0.00 H new ATOM 131 N GLU A 9 7.879 10.883 -0.511 1.00 0.00 N ATOM 132 CA GLU A 9 7.721 11.645 0.723 1.00 0.00 C ATOM 133 C GLU A 9 8.778 12.740 0.825 1.00 0.00 C ATOM 134 O GLU A 9 8.504 13.837 1.309 1.00 0.00 O ATOM 135 CB GLU A 9 7.811 10.717 1.936 1.00 0.00 C ATOM 136 CG GLU A 9 6.490 10.063 2.303 1.00 0.00 C ATOM 137 CD GLU A 9 6.615 9.116 3.480 1.00 0.00 C ATOM 138 OE1 GLU A 9 6.898 7.921 3.252 1.00 0.00 O ATOM 139 OE2 GLU A 9 6.429 9.569 4.629 1.00 0.00 O ATOM 0 H GLU A 9 7.917 9.872 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 9 6.738 12.115 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.548 9.939 1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.175 11.286 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.759 10.836 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.108 9.517 1.441 1.00 0.00 H new ATOM 146 N GLU A 10 9.987 12.432 0.366 1.00 0.00 N ATOM 147 CA GLU A 10 11.086 13.389 0.408 1.00 0.00 C ATOM 148 C GLU A 10 10.856 14.526 -0.583 1.00 0.00 C ATOM 149 O GLU A 10 11.119 15.691 -0.281 1.00 0.00 O ATOM 150 CB GLU A 10 12.412 12.690 0.100 1.00 0.00 C ATOM 151 CG GLU A 10 12.818 11.666 1.146 1.00 0.00 C ATOM 152 CD GLU A 10 13.384 12.305 2.399 1.00 0.00 C ATOM 153 OE1 GLU A 10 12.589 12.808 3.221 1.00 0.00 O ATOM 154 OE2 GLU A 10 14.623 12.302 2.558 1.00 0.00 O ATOM 0 H GLU A 10 10.230 11.528 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 10 11.129 13.809 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.336 12.197 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.198 13.441 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.952 11.060 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.560 10.991 0.720 1.00 0.00 H new ATOM 161 N CYS A 11 10.363 14.180 -1.768 1.00 0.00 N ATOM 162 CA CYS A 11 10.096 15.170 -2.804 1.00 0.00 C ATOM 163 C CYS A 11 9.049 16.177 -2.337 1.00 0.00 C ATOM 164 O CYS A 11 9.290 17.384 -2.340 1.00 0.00 O ATOM 165 CB CYS A 11 9.621 14.482 -4.085 1.00 0.00 C ATOM 166 SG CYS A 11 9.949 15.432 -5.605 1.00 0.00 S ATOM 0 H CYS A 11 10.140 13.221 -2.034 1.00 0.00 H new ATOM 0 HA CYS A 11 11.024 15.705 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.108 13.510 -4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.550 14.297 -4.009 1.00 0.00 H new ATOM 171 N GLN A 12 7.887 15.672 -1.936 1.00 0.00 N ATOM 172 CA GLN A 12 6.804 16.527 -1.465 1.00 0.00 C ATOM 173 C GLN A 12 7.229 17.314 -0.230 1.00 0.00 C ATOM 174 O GLN A 12 6.933 18.501 -0.106 1.00 0.00 O ATOM 175 CB GLN A 12 5.564 15.688 -1.148 1.00 0.00 C ATOM 176 CG GLN A 12 5.101 14.824 -2.310 1.00 0.00 C ATOM 177 CD GLN A 12 3.592 14.711 -2.388 1.00 0.00 C ATOM 178 OE1 GLN A 12 2.885 15.008 -1.424 1.00 0.00 O ATOM 179 NE2 GLN A 12 3.089 14.279 -3.538 1.00 0.00 N ATOM 0 H GLN A 12 7.671 14.675 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 12 6.562 17.234 -2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.778 15.047 -0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.752 16.352 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.479 15.243 -3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.532 13.828 -2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.712 14.044 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.080 14.182 -3.649 1.00 0.00 H new ATOM 188 N ASN A 13 7.926 16.643 0.682 1.00 0.00 N ATOM 189 CA ASN A 13 8.390 17.280 1.910 1.00 0.00 C ATOM 190 C ASN A 13 9.177 18.549 1.600 1.00 0.00 C ATOM 191 O ASN A 13 9.002 19.577 2.255 1.00 0.00 O ATOM 192 CB ASN A 13 9.259 16.311 2.714 1.00 0.00 C ATOM 193 CG ASN A 13 10.051 17.011 3.801 1.00 0.00 C ATOM 194 OD1 ASN A 13 9.485 17.686 4.661 1.00 0.00 O ATOM 195 ND2 ASN A 13 11.369 16.854 3.766 1.00 0.00 N ATOM 0 H ASN A 13 8.182 15.659 0.594 1.00 0.00 H new ATOM 0 HA ASN A 13 7.516 17.551 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.625 15.547 3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.946 15.799 2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.955 17.302 4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.796 16.285 3.035 1.00 0.00 H new ATOM 202 N VAL A 14 10.045 18.471 0.596 1.00 0.00 N ATOM 203 CA VAL A 14 10.857 19.614 0.197 1.00 0.00 C ATOM 204 C VAL A 14 10.004 20.690 -0.465 1.00 0.00 C ATOM 205 O VAL A 14 10.251 21.885 -0.295 1.00 0.00 O ATOM 206 CB VAL A 14 11.978 19.194 -0.773 1.00 0.00 C ATOM 207 CG1 VAL A 14 12.794 20.404 -1.201 1.00 0.00 C ATOM 208 CG2 VAL A 14 12.868 18.139 -0.133 1.00 0.00 C ATOM 0 H VAL A 14 10.204 17.628 0.044 1.00 0.00 H new ATOM 0 HA VAL A 14 11.304 20.017 1.105 1.00 0.00 H new ATOM 0 HB VAL A 14 11.522 18.760 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.581 20.088 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.144 21.122 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.242 20.870 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.654 17.854 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.318 18.544 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.271 17.263 0.118 1.00 0.00 H new ATOM 218 N CYS A 15 8.999 20.260 -1.219 1.00 0.00 N ATOM 219 CA CYS A 15 8.108 21.186 -1.908 1.00 0.00 C ATOM 220 C CYS A 15 7.411 22.111 -0.915 1.00 0.00 C ATOM 221 O CYS A 15 7.312 23.317 -1.138 1.00 0.00 O ATOM 222 CB CYS A 15 7.067 20.415 -2.722 1.00 0.00 C ATOM 223 SG CYS A 15 7.772 19.392 -4.054 1.00 0.00 S ATOM 0 H CYS A 15 8.781 19.275 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 15 8.709 21.795 -2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.498 19.774 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.364 21.125 -3.157 1.00 0.00 H new ATOM 228 N ARG A 16 6.930 21.536 0.183 1.00 0.00 N ATOM 229 CA ARG A 16 6.240 22.308 1.210 1.00 0.00 C ATOM 230 C ARG A 16 7.198 23.279 1.894 1.00 0.00 C ATOM 231 O ARG A 16 6.773 24.272 2.484 1.00 0.00 O ATOM 232 CB ARG A 16 5.618 21.373 2.249 1.00 0.00 C ATOM 233 CG ARG A 16 4.743 20.287 1.644 1.00 0.00 C ATOM 234 CD ARG A 16 4.329 19.260 2.687 1.00 0.00 C ATOM 235 NE ARG A 16 5.482 18.636 3.328 1.00 0.00 N ATOM 236 CZ ARG A 16 5.388 17.632 4.193 1.00 0.00 C ATOM 237 NH1 ARG A 16 4.200 17.142 4.518 1.00 0.00 N ATOM 238 NH2 ARG A 16 6.484 17.117 4.735 1.00 0.00 N ATOM 0 H ARG A 16 7.005 20.539 0.384 1.00 0.00 H new ATOM 0 HA ARG A 16 5.449 22.882 0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.415 20.906 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.022 21.963 2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.854 20.738 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.282 19.791 0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.710 19.741 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.716 18.491 2.216 1.00 0.00 H new ATOM 0 HE ARG A 16 6.411 18.990 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.355 17.536 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.131 16.371 5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.400 17.492 4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.411 16.346 5.399 1.00 0.00 H new ATOM 252 N MET A 17 8.491 22.985 1.810 1.00 0.00 N ATOM 253 CA MET A 17 9.509 23.834 2.419 1.00 0.00 C ATOM 254 C MET A 17 9.913 24.962 1.475 1.00 0.00 C ATOM 255 O MET A 17 10.799 25.758 1.786 1.00 0.00 O ATOM 256 CB MET A 17 10.737 23.004 2.796 1.00 0.00 C ATOM 257 CG MET A 17 10.798 22.644 4.271 1.00 0.00 C ATOM 258 SD MET A 17 12.159 23.457 5.129 1.00 0.00 S ATOM 259 CE MET A 17 11.984 22.767 6.773 1.00 0.00 C ATOM 0 H MET A 17 8.859 22.166 1.326 1.00 0.00 H new ATOM 0 HA MET A 17 9.086 24.274 3.322 1.00 0.00 H new ATOM 0 HB2 MET A 17 10.741 22.087 2.206 1.00 0.00 H new ATOM 0 HB3 MET A 17 11.636 23.559 2.528 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.857 22.920 4.747 1.00 0.00 H new ATOM 0 HG3 MET A 17 10.903 21.564 4.373 1.00 0.00 H new ATOM 0 HE1 MET A 17 12.758 23.175 7.423 1.00 0.00 H new ATOM 0 HE2 MET A 17 11.003 23.023 7.172 1.00 0.00 H new ATOM 0 HE3 MET A 17 12.085 21.683 6.725 1.00 0.00 H new ATOM 269 N LYS A 18 9.257 25.025 0.321 1.00 0.00 N ATOM 270 CA LYS A 18 9.548 26.055 -0.669 1.00 0.00 C ATOM 271 C LYS A 18 8.979 27.402 -0.235 1.00 0.00 C ATOM 272 O LYS A 18 7.786 27.522 0.043 1.00 0.00 O ATOM 273 CB LYS A 18 8.970 25.661 -2.030 1.00 0.00 C ATOM 274 CG LYS A 18 9.616 24.423 -2.629 1.00 0.00 C ATOM 275 CD LYS A 18 11.120 24.591 -2.768 1.00 0.00 C ATOM 276 CE LYS A 18 11.698 23.618 -3.784 1.00 0.00 C ATOM 277 NZ LYS A 18 13.148 23.369 -3.551 1.00 0.00 N ATOM 0 H LYS A 18 8.520 24.375 0.048 1.00 0.00 H new ATOM 0 HA LYS A 18 10.631 26.147 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.899 25.487 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.091 26.495 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.402 23.559 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.180 24.221 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.346 25.613 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.596 24.433 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.155 22.674 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.555 24.015 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.504 22.701 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.670 24.265 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.283 22.967 -2.602 1.00 0.00 H new ATOM 291 N ARG A 19 9.840 28.413 -0.181 1.00 0.00 N ATOM 292 CA ARG A 19 9.423 29.751 0.220 1.00 0.00 C ATOM 293 C ARG A 19 9.026 30.584 -0.995 1.00 0.00 C ATOM 294 O ARG A 19 9.396 31.753 -1.106 1.00 0.00 O ATOM 295 CB ARG A 19 10.547 30.451 0.986 1.00 0.00 C ATOM 296 CG ARG A 19 10.775 29.890 2.380 1.00 0.00 C ATOM 297 CD ARG A 19 9.780 30.459 3.379 1.00 0.00 C ATOM 298 NE ARG A 19 10.167 31.790 3.840 1.00 0.00 N ATOM 299 CZ ARG A 19 11.174 32.014 4.677 1.00 0.00 C ATOM 300 NH1 ARG A 19 11.891 31.000 5.143 1.00 0.00 N ATOM 301 NH2 ARG A 19 11.465 33.253 5.050 1.00 0.00 N ATOM 0 H ARG A 19 10.831 28.331 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 19 8.555 29.653 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.471 30.368 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.315 31.513 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.687 28.804 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.790 30.120 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.793 30.507 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.701 29.788 4.234 1.00 0.00 H new ATOM 0 HE ARG A 19 9.635 32.591 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.670 30.046 4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.664 31.175 5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.915 34.035 4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.238 33.424 5.693 1.00 0.00 H new ATOM 315 N TRP A 20 8.274 29.974 -1.904 1.00 0.00 N ATOM 316 CA TRP A 20 7.827 30.660 -3.111 1.00 0.00 C ATOM 317 C TRP A 20 6.351 31.028 -3.014 1.00 0.00 C ATOM 318 O TRP A 20 5.999 32.205 -2.943 1.00 0.00 O ATOM 319 CB TRP A 20 8.066 29.780 -4.340 1.00 0.00 C ATOM 320 CG TRP A 20 9.502 29.732 -4.766 1.00 0.00 C ATOM 321 CD1 TRP A 20 10.593 29.587 -3.957 1.00 0.00 C ATOM 322 CD2 TRP A 20 10.003 29.831 -6.104 1.00 0.00 C ATOM 323 NE1 TRP A 20 11.741 29.590 -4.711 1.00 0.00 N ATOM 324 CE2 TRP A 20 11.406 29.738 -6.031 1.00 0.00 C ATOM 325 CE3 TRP A 20 9.402 29.987 -7.356 1.00 0.00 C ATOM 326 CZ2 TRP A 20 12.215 29.797 -7.163 1.00 0.00 C ATOM 327 CZ3 TRP A 20 10.206 30.046 -8.478 1.00 0.00 C ATOM 328 CH2 TRP A 20 11.601 29.951 -8.375 1.00 0.00 C ATOM 0 H TRP A 20 7.961 29.006 -1.828 1.00 0.00 H new ATOM 0 HA TRP A 20 8.405 31.579 -3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 20 7.724 28.768 -4.125 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.461 30.152 -5.167 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.558 29.485 -2.882 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.689 29.497 -4.347 1.00 0.00 H new ATOM 0 HE3 TRP A 20 8.328 30.060 -7.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.290 29.724 -7.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.752 30.167 -9.451 1.00 0.00 H new ATOM 0 HH2 TRP A 20 12.202 30.000 -9.271 1.00 0.00 H new ATOM 339 N SER A 21 5.491 30.014 -3.011 1.00 0.00 N ATOM 340 CA SER A 21 4.052 30.233 -2.924 1.00 0.00 C ATOM 341 C SER A 21 3.304 28.905 -2.863 1.00 0.00 C ATOM 342 O SER A 21 3.787 27.883 -3.353 1.00 0.00 O ATOM 343 CB SER A 21 3.566 31.051 -4.121 1.00 0.00 C ATOM 344 OG SER A 21 3.909 30.421 -5.343 1.00 0.00 O ATOM 0 H SER A 21 5.766 29.033 -3.068 1.00 0.00 H new ATOM 0 HA SER A 21 3.848 30.788 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.485 31.177 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.005 32.048 -4.086 1.00 0.00 H new ATOM 0 HG SER A 21 3.586 30.963 -6.093 1.00 0.00 H new ATOM 350 N THR A 22 2.120 28.927 -2.259 1.00 0.00 N ATOM 351 CA THR A 22 1.303 27.726 -2.134 1.00 0.00 C ATOM 352 C THR A 22 1.125 27.038 -3.482 1.00 0.00 C ATOM 353 O THR A 22 1.146 25.811 -3.571 1.00 0.00 O ATOM 354 CB THR A 22 -0.084 28.049 -1.548 1.00 0.00 C ATOM 355 OG1 THR A 22 -0.897 26.870 -1.534 1.00 0.00 O ATOM 356 CG2 THR A 22 -0.774 29.136 -2.358 1.00 0.00 C ATOM 0 H THR A 22 1.705 29.764 -1.849 1.00 0.00 H new ATOM 0 HA THR A 22 1.829 27.056 -1.455 1.00 0.00 H new ATOM 0 HB THR A 22 0.052 28.408 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.777 27.084 -1.159 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.752 29.347 -1.925 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.167 30.041 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.898 28.799 -3.387 1.00 0.00 H new ATOM 364 N GLU A 23 0.951 27.838 -4.530 1.00 0.00 N ATOM 365 CA GLU A 23 0.771 27.304 -5.875 1.00 0.00 C ATOM 366 C GLU A 23 1.988 26.489 -6.305 1.00 0.00 C ATOM 367 O GLU A 23 1.853 25.407 -6.875 1.00 0.00 O ATOM 368 CB GLU A 23 0.528 28.440 -6.871 1.00 0.00 C ATOM 369 CG GLU A 23 -0.923 28.888 -6.941 1.00 0.00 C ATOM 370 CD GLU A 23 -1.288 29.858 -5.834 1.00 0.00 C ATOM 371 OE1 GLU A 23 -0.501 30.793 -5.580 1.00 0.00 O ATOM 372 OE2 GLU A 23 -2.363 29.682 -5.223 1.00 0.00 O ATOM 0 H GLU A 23 0.931 28.856 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.099 26.648 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.150 29.292 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.848 28.118 -7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.108 29.358 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.572 28.014 -6.882 1.00 0.00 H new ATOM 379 N MET A 24 3.175 27.019 -6.028 1.00 0.00 N ATOM 380 CA MET A 24 4.416 26.341 -6.386 1.00 0.00 C ATOM 381 C MET A 24 4.562 25.032 -5.617 1.00 0.00 C ATOM 382 O MET A 24 5.125 24.062 -6.125 1.00 0.00 O ATOM 383 CB MET A 24 5.616 27.248 -6.107 1.00 0.00 C ATOM 384 CG MET A 24 6.035 28.087 -7.303 1.00 0.00 C ATOM 385 SD MET A 24 7.041 27.163 -8.480 1.00 0.00 S ATOM 386 CE MET A 24 5.911 27.036 -9.864 1.00 0.00 C ATOM 0 H MET A 24 3.304 27.915 -5.557 1.00 0.00 H new ATOM 0 HA MET A 24 4.382 26.113 -7.451 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.375 27.910 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.459 26.634 -5.791 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.145 28.463 -7.808 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.595 28.955 -6.955 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.112 26.117 -10.415 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.885 27.022 -9.496 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.047 27.892 -10.525 1.00 0.00 H new ATOM 396 N VAL A 25 4.053 25.012 -4.389 1.00 0.00 N ATOM 397 CA VAL A 25 4.126 23.821 -3.551 1.00 0.00 C ATOM 398 C VAL A 25 3.282 22.690 -4.128 1.00 0.00 C ATOM 399 O VAL A 25 3.746 21.557 -4.254 1.00 0.00 O ATOM 400 CB VAL A 25 3.655 24.117 -2.115 1.00 0.00 C ATOM 401 CG1 VAL A 25 3.767 22.871 -1.249 1.00 0.00 C ATOM 402 CG2 VAL A 25 4.455 25.264 -1.518 1.00 0.00 C ATOM 0 H VAL A 25 3.586 25.807 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 25 5.172 23.514 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 25 2.607 24.414 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.430 23.099 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.146 22.079 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.805 22.541 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.109 25.460 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.512 24.998 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.319 26.158 -2.126 1.00 0.00 H new ATOM 412 N HIS A 26 2.039 23.006 -4.479 1.00 0.00 N ATOM 413 CA HIS A 26 1.130 22.017 -5.047 1.00 0.00 C ATOM 414 C HIS A 26 1.673 21.475 -6.366 1.00 0.00 C ATOM 415 O HIS A 26 1.765 20.262 -6.559 1.00 0.00 O ATOM 416 CB HIS A 26 -0.253 22.630 -5.265 1.00 0.00 C ATOM 417 CG HIS A 26 -1.372 21.791 -4.729 1.00 0.00 C ATOM 418 ND1 HIS A 26 -2.597 21.684 -5.351 1.00 0.00 N ATOM 419 CD2 HIS A 26 -1.444 21.015 -3.622 1.00 0.00 C ATOM 420 CE1 HIS A 26 -3.376 20.880 -4.649 1.00 0.00 C ATOM 421 NE2 HIS A 26 -2.700 20.460 -3.595 1.00 0.00 N ATOM 0 H HIS A 26 1.639 23.939 -4.380 1.00 0.00 H new ATOM 0 HA HIS A 26 1.045 21.190 -4.342 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.286 23.611 -4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.407 22.788 -6.332 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.660 20.861 -2.895 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.393 20.612 -4.895 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.053 19.827 -2.878 1.00 0.00 H new ATOM 429 N ARG A 27 2.030 22.380 -7.270 1.00 0.00 N ATOM 430 CA ARG A 27 2.562 21.992 -8.571 1.00 0.00 C ATOM 431 C ARG A 27 3.798 21.112 -8.413 1.00 0.00 C ATOM 432 O ARG A 27 4.001 20.166 -9.175 1.00 0.00 O ATOM 433 CB ARG A 27 2.909 23.234 -9.395 1.00 0.00 C ATOM 434 CG ARG A 27 1.691 24.011 -9.868 1.00 0.00 C ATOM 435 CD ARG A 27 2.044 25.453 -10.198 1.00 0.00 C ATOM 436 NE ARG A 27 2.668 25.577 -11.512 1.00 0.00 N ATOM 437 CZ ARG A 27 2.010 25.423 -12.656 1.00 0.00 C ATOM 438 NH1 ARG A 27 0.714 25.142 -12.646 1.00 0.00 N ATOM 439 NH2 ARG A 27 2.648 25.552 -13.812 1.00 0.00 N ATOM 0 H ARG A 27 1.961 23.387 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 27 1.795 21.420 -9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.539 23.892 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.496 22.932 -10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.269 23.528 -10.749 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.923 23.991 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.141 26.063 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.720 25.844 -9.437 1.00 0.00 H new ATOM 0 HE ARG A 27 3.664 25.794 -11.554 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.220 25.044 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.211 25.024 -13.525 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.644 25.770 -13.823 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.142 25.434 -14.690 1.00 0.00 H new ATOM 453 N CYS A 28 4.621 21.430 -7.420 1.00 0.00 N ATOM 454 CA CYS A 28 5.836 20.668 -7.159 1.00 0.00 C ATOM 455 C CYS A 28 5.506 19.221 -6.804 1.00 0.00 C ATOM 456 O CYS A 28 6.135 18.290 -7.304 1.00 0.00 O ATOM 457 CB CYS A 28 6.635 21.314 -6.025 1.00 0.00 C ATOM 458 SG CYS A 28 8.205 20.471 -5.648 1.00 0.00 S ATOM 0 H CYS A 28 4.468 22.211 -6.782 1.00 0.00 H new ATOM 0 HA CYS A 28 6.439 20.672 -8.067 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.846 22.351 -6.288 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.019 21.332 -5.126 1.00 0.00 H new ATOM 463 N GLU A 29 4.514 19.043 -5.936 1.00 0.00 N ATOM 464 CA GLU A 29 4.103 17.710 -5.512 1.00 0.00 C ATOM 465 C GLU A 29 3.491 16.933 -6.675 1.00 0.00 C ATOM 466 O GLU A 29 3.703 15.728 -6.811 1.00 0.00 O ATOM 467 CB GLU A 29 3.097 17.804 -4.363 1.00 0.00 C ATOM 468 CG GLU A 29 3.660 18.461 -3.114 1.00 0.00 C ATOM 469 CD GLU A 29 2.955 18.009 -1.849 1.00 0.00 C ATOM 470 OE1 GLU A 29 1.891 17.366 -1.961 1.00 0.00 O ATOM 471 OE2 GLU A 29 3.468 18.299 -0.748 1.00 0.00 O ATOM 0 H GLU A 29 3.982 19.804 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 29 4.989 17.177 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.226 18.367 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.751 16.802 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.723 18.232 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.573 19.544 -3.207 1.00 0.00 H new ATOM 478 N LYS A 30 2.731 17.632 -7.511 1.00 0.00 N ATOM 479 CA LYS A 30 2.090 17.011 -8.663 1.00 0.00 C ATOM 480 C LYS A 30 3.125 16.377 -9.587 1.00 0.00 C ATOM 481 O LYS A 30 3.066 15.182 -9.876 1.00 0.00 O ATOM 482 CB LYS A 30 1.269 18.046 -9.435 1.00 0.00 C ATOM 483 CG LYS A 30 -0.207 18.043 -9.076 1.00 0.00 C ATOM 484 CD LYS A 30 -1.083 18.013 -10.317 1.00 0.00 C ATOM 485 CE LYS A 30 -2.493 18.499 -10.016 1.00 0.00 C ATOM 486 NZ LYS A 30 -3.515 17.461 -10.327 1.00 0.00 N ATOM 0 H LYS A 30 2.544 18.630 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 30 1.426 16.227 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.679 19.038 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.375 17.858 -10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.429 17.177 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.441 18.929 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.639 18.638 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.123 16.997 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.565 18.776 -8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.699 19.398 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.462 17.830 -10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.464 17.215 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.334 16.612 -9.754 1.00 0.00 H new ATOM 500 N LYS A 31 4.075 17.185 -10.046 1.00 0.00 N ATOM 501 CA LYS A 31 5.126 16.704 -10.935 1.00 0.00 C ATOM 502 C LYS A 31 5.892 15.549 -10.297 1.00 0.00 C ATOM 503 O LYS A 31 6.232 14.572 -10.965 1.00 0.00 O ATOM 504 CB LYS A 31 6.090 17.841 -11.281 1.00 0.00 C ATOM 505 CG LYS A 31 6.691 18.520 -10.062 1.00 0.00 C ATOM 506 CD LYS A 31 7.632 19.645 -10.459 1.00 0.00 C ATOM 507 CE LYS A 31 8.850 19.117 -11.201 1.00 0.00 C ATOM 508 NZ LYS A 31 9.884 20.172 -11.392 1.00 0.00 N ATOM 0 H LYS A 31 4.139 18.177 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 31 4.657 16.343 -11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.895 17.447 -11.901 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.562 18.585 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.893 18.916 -9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.232 17.786 -9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.102 20.359 -11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.953 20.184 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.280 18.283 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.543 18.729 -12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.698 19.772 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.482 20.957 -11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.195 20.525 -10.465 1.00 0.00 H new ATOM 522 N CYS A 32 6.159 15.667 -9.001 1.00 0.00 N ATOM 523 CA CYS A 32 6.883 14.632 -8.272 1.00 0.00 C ATOM 524 C CYS A 32 6.109 13.317 -8.281 1.00 0.00 C ATOM 525 O CYS A 32 6.698 12.239 -8.232 1.00 0.00 O ATOM 526 CB CYS A 32 7.137 15.078 -6.830 1.00 0.00 C ATOM 527 SG CYS A 32 8.495 16.278 -6.651 1.00 0.00 S ATOM 0 H CYS A 32 5.885 16.469 -8.434 1.00 0.00 H new ATOM 0 HA CYS A 32 7.839 14.473 -8.770 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.223 15.518 -6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.360 14.200 -6.223 1.00 0.00 H new ATOM 532 N GLU A 33 4.784 13.417 -8.344 1.00 0.00 N ATOM 533 CA GLU A 33 3.930 12.236 -8.359 1.00 0.00 C ATOM 534 C GLU A 33 3.970 11.553 -9.723 1.00 0.00 C ATOM 535 O GLU A 33 4.263 10.362 -9.823 1.00 0.00 O ATOM 536 CB GLU A 33 2.490 12.616 -8.009 1.00 0.00 C ATOM 537 CG GLU A 33 2.223 12.680 -6.515 1.00 0.00 C ATOM 538 CD GLU A 33 1.869 11.328 -5.927 1.00 0.00 C ATOM 539 OE1 GLU A 33 2.204 10.302 -6.556 1.00 0.00 O ATOM 540 OE2 GLU A 33 1.256 11.295 -4.839 1.00 0.00 O ATOM 0 H GLU A 33 4.280 14.303 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 33 4.306 11.538 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.261 13.585 -8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.812 11.891 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.105 13.073 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.409 13.379 -6.325 1.00 0.00 H new ATOM 547 N GLU A 34 3.672 12.316 -10.770 1.00 0.00 N ATOM 548 CA GLU A 34 3.672 11.784 -12.127 1.00 0.00 C ATOM 549 C GLU A 34 5.025 11.166 -12.469 1.00 0.00 C ATOM 550 O GLU A 34 5.098 10.066 -13.017 1.00 0.00 O ATOM 551 CB GLU A 34 3.335 12.887 -13.132 1.00 0.00 C ATOM 552 CG GLU A 34 4.212 14.120 -12.999 1.00 0.00 C ATOM 553 CD GLU A 34 3.754 15.261 -13.886 1.00 0.00 C ATOM 554 OE1 GLU A 34 2.550 15.311 -14.215 1.00 0.00 O ATOM 555 OE2 GLU A 34 4.599 16.105 -14.252 1.00 0.00 O ATOM 0 H GLU A 34 3.428 13.304 -10.704 1.00 0.00 H new ATOM 0 HA GLU A 34 2.911 11.006 -12.184 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.433 12.489 -14.142 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.292 13.178 -13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.213 14.450 -11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.240 13.859 -13.251 1.00 0.00 H new ATOM 562 N LYS A 35 6.096 11.883 -12.143 1.00 0.00 N ATOM 563 CA LYS A 35 7.447 11.407 -12.413 1.00 0.00 C ATOM 564 C LYS A 35 7.750 10.144 -11.613 1.00 0.00 C ATOM 565 O LYS A 35 8.715 9.434 -11.896 1.00 0.00 O ATOM 566 CB LYS A 35 8.470 12.494 -12.075 1.00 0.00 C ATOM 567 CG LYS A 35 9.229 13.012 -13.285 1.00 0.00 C ATOM 568 CD LYS A 35 10.458 12.167 -13.575 1.00 0.00 C ATOM 569 CE LYS A 35 11.075 12.523 -14.919 1.00 0.00 C ATOM 570 NZ LYS A 35 12.031 13.659 -14.806 1.00 0.00 N ATOM 0 H LYS A 35 6.054 12.796 -11.691 1.00 0.00 H new ATOM 0 HA LYS A 35 7.515 11.169 -13.474 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.957 13.327 -11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.183 12.098 -11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.572 13.012 -14.155 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.529 14.046 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.195 12.312 -12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.185 11.112 -13.567 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.591 11.653 -15.324 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.285 12.782 -15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.430 13.871 -15.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.533 14.497 -14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.799 13.403 -14.153 1.00 0.00 H new ATOM 584 N PHE A 36 6.918 9.869 -10.613 1.00 0.00 N ATOM 585 CA PHE A 36 7.096 8.690 -9.773 1.00 0.00 C ATOM 586 C PHE A 36 6.429 7.469 -10.402 1.00 0.00 C ATOM 587 O PHE A 36 6.809 6.332 -10.126 1.00 0.00 O ATOM 588 CB PHE A 36 6.518 8.939 -8.379 1.00 0.00 C ATOM 589 CG PHE A 36 7.441 8.533 -7.266 1.00 0.00 C ATOM 590 CD1 PHE A 36 8.352 9.434 -6.740 1.00 0.00 C ATOM 591 CD2 PHE A 36 7.397 7.250 -6.745 1.00 0.00 C ATOM 592 CE1 PHE A 36 9.204 9.062 -5.717 1.00 0.00 C ATOM 593 CE2 PHE A 36 8.246 6.872 -5.722 1.00 0.00 C ATOM 594 CZ PHE A 36 9.149 7.780 -5.206 1.00 0.00 C ATOM 0 H PHE A 36 6.115 10.446 -10.365 1.00 0.00 H new ATOM 0 HA PHE A 36 8.165 8.494 -9.686 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.282 9.998 -8.276 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.580 8.392 -8.280 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.397 10.439 -7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.691 6.537 -7.143 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.912 9.773 -5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.203 5.868 -5.327 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.811 7.488 -4.404 1.00 0.00 H new