USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 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 Set 1.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 26 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=-0.34) USER MOD Single : A 5 GLN : amide:sc= -0.0155 K(o=-0.015,f=-1.5!) USER MOD Single : A 6 GLN : amide:sc= -0.935 K(o=-0.94,f=-3.3!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.164 F(o=-1.1,f=-0.16) USER MOD Single : A 13 ASN : amide:sc= -0.798 K(o=-0.8,f=-1.5) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= -1.33 (180deg=-4.87!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0702 (180deg=-0.386) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= -0.0188 (180deg=-0.858) USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 5 7.053 3.832 -2.961 1.00 0.00 N ATOM 64 CA GLN A 5 6.447 5.144 -2.768 1.00 0.00 C ATOM 65 C GLN A 5 7.219 5.953 -1.732 1.00 0.00 C ATOM 66 O GLN A 5 6.980 7.149 -1.562 1.00 0.00 O ATOM 67 CB GLN A 5 4.988 4.995 -2.333 1.00 0.00 C ATOM 68 CG GLN A 5 4.018 4.851 -3.495 1.00 0.00 C ATOM 69 CD GLN A 5 2.633 4.424 -3.050 1.00 0.00 C ATOM 70 OE1 GLN A 5 2.438 3.998 -1.911 1.00 0.00 O ATOM 71 NE2 GLN A 5 1.662 4.536 -3.948 1.00 0.00 N ATOM 0 HA GLN A 5 6.483 5.677 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.898 4.123 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.704 5.864 -1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.948 5.801 -4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.410 4.120 -4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.869 4.894 -4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.709 4.264 -3.706 1.00 0.00 H new ATOM 80 N GLN A 6 8.144 5.294 -1.042 1.00 0.00 N ATOM 81 CA GLN A 6 8.949 5.953 -0.021 1.00 0.00 C ATOM 82 C GLN A 6 9.658 7.176 -0.592 1.00 0.00 C ATOM 83 O GLN A 6 9.899 8.152 0.117 1.00 0.00 O ATOM 84 CB GLN A 6 9.977 4.977 0.556 1.00 0.00 C ATOM 85 CG GLN A 6 11.137 4.690 -0.382 1.00 0.00 C ATOM 86 CD GLN A 6 12.300 5.642 -0.182 1.00 0.00 C ATOM 87 OE1 GLN A 6 12.271 6.497 0.704 1.00 0.00 O ATOM 88 NE2 GLN A 6 13.331 5.499 -1.006 1.00 0.00 N ATOM 0 H GLN A 6 8.354 4.304 -1.172 1.00 0.00 H new ATOM 0 HA GLN A 6 8.282 6.281 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.367 5.383 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.478 4.039 0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.479 3.667 -0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.790 4.758 -1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.312 4.777 -1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.142 6.111 -0.919 1.00 0.00 H new ATOM 97 N GLU A 7 9.988 7.116 -1.879 1.00 0.00 N ATOM 98 CA GLU A 7 10.669 8.221 -2.544 1.00 0.00 C ATOM 99 C GLU A 7 9.703 9.369 -2.821 1.00 0.00 C ATOM 100 O GLU A 7 10.106 10.530 -2.898 1.00 0.00 O ATOM 101 CB GLU A 7 11.301 7.744 -3.854 1.00 0.00 C ATOM 102 CG GLU A 7 12.817 7.666 -3.806 1.00 0.00 C ATOM 103 CD GLU A 7 13.459 7.942 -5.152 1.00 0.00 C ATOM 104 OE1 GLU A 7 13.286 7.115 -6.071 1.00 0.00 O ATOM 105 OE2 GLU A 7 14.134 8.984 -5.285 1.00 0.00 O ATOM 0 H GLU A 7 9.795 6.315 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 7 11.454 8.583 -1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.903 6.760 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.006 8.419 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.191 8.383 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.115 6.676 -3.462 1.00 0.00 H new ATOM 112 N LEU A 8 8.425 9.036 -2.969 1.00 0.00 N ATOM 113 CA LEU A 8 7.399 10.038 -3.236 1.00 0.00 C ATOM 114 C LEU A 8 7.185 10.934 -2.020 1.00 0.00 C ATOM 115 O LEU A 8 7.280 12.157 -2.116 1.00 0.00 O ATOM 116 CB LEU A 8 6.084 9.359 -3.622 1.00 0.00 C ATOM 117 CG LEU A 8 4.984 10.280 -4.151 1.00 0.00 C ATOM 118 CD1 LEU A 8 5.473 11.050 -5.368 1.00 0.00 C ATOM 119 CD2 LEU A 8 3.736 9.479 -4.491 1.00 0.00 C ATOM 0 H LEU A 8 8.075 8.080 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 8 7.737 10.658 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.296 8.606 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.700 8.832 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 8 4.730 10.997 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.677 11.700 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.338 11.654 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.755 10.349 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.964 10.151 -4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.975 8.739 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.374 8.973 -3.596 1.00 0.00 H new ATOM 131 N GLU A 9 6.898 10.316 -0.879 1.00 0.00 N ATOM 132 CA GLU A 9 6.673 11.059 0.356 1.00 0.00 C ATOM 133 C GLU A 9 7.814 12.039 0.617 1.00 0.00 C ATOM 134 O GLU A 9 7.608 13.107 1.191 1.00 0.00 O ATOM 135 CB GLU A 9 6.532 10.097 1.537 1.00 0.00 C ATOM 136 CG GLU A 9 7.734 9.188 1.729 1.00 0.00 C ATOM 137 CD GLU A 9 7.680 8.416 3.033 1.00 0.00 C ATOM 138 OE1 GLU A 9 6.561 8.104 3.492 1.00 0.00 O ATOM 139 OE2 GLU A 9 8.757 8.125 3.594 1.00 0.00 O ATOM 0 H GLU A 9 6.816 9.304 -0.784 1.00 0.00 H new ATOM 0 HA GLU A 9 5.748 11.626 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.375 10.674 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.643 9.484 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.790 8.486 0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.645 9.786 1.703 1.00 0.00 H new ATOM 146 N GLU A 10 9.016 11.665 0.191 1.00 0.00 N ATOM 147 CA GLU A 10 10.190 12.509 0.381 1.00 0.00 C ATOM 148 C GLU A 10 10.179 13.684 -0.594 1.00 0.00 C ATOM 149 O GLU A 10 10.510 14.812 -0.228 1.00 0.00 O ATOM 150 CB GLU A 10 11.470 11.691 0.196 1.00 0.00 C ATOM 151 CG GLU A 10 11.616 10.556 1.195 1.00 0.00 C ATOM 152 CD GLU A 10 12.240 11.005 2.502 1.00 0.00 C ATOM 153 OE1 GLU A 10 12.994 12.000 2.487 1.00 0.00 O ATOM 154 OE2 GLU A 10 11.974 10.362 3.538 1.00 0.00 O ATOM 0 H GLU A 10 9.203 10.784 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 10 10.162 12.902 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.486 11.280 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.331 12.354 0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.635 10.124 1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.228 9.768 0.757 1.00 0.00 H new ATOM 161 N CYS A 11 9.796 13.410 -1.837 1.00 0.00 N ATOM 162 CA CYS A 11 9.740 14.442 -2.865 1.00 0.00 C ATOM 163 C CYS A 11 8.714 15.513 -2.505 1.00 0.00 C ATOM 164 O CYS A 11 9.010 16.706 -2.542 1.00 0.00 O ATOM 165 CB CYS A 11 9.393 13.822 -4.220 1.00 0.00 C ATOM 166 SG CYS A 11 9.988 14.782 -5.650 1.00 0.00 S ATOM 0 H CYS A 11 9.520 12.481 -2.156 1.00 0.00 H new ATOM 0 HA CYS A 11 10.722 14.911 -2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.816 12.819 -4.268 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.311 13.715 -4.292 1.00 0.00 H new ATOM 171 N GLN A 12 7.507 15.076 -2.159 1.00 0.00 N ATOM 172 CA GLN A 12 6.438 15.997 -1.792 1.00 0.00 C ATOM 173 C GLN A 12 6.782 16.748 -0.511 1.00 0.00 C ATOM 174 O GLN A 12 6.574 17.957 -0.414 1.00 0.00 O ATOM 175 CB GLN A 12 5.121 15.238 -1.615 1.00 0.00 C ATOM 176 CG GLN A 12 4.729 14.409 -2.826 1.00 0.00 C ATOM 177 CD GLN A 12 3.227 14.265 -2.973 1.00 0.00 C ATOM 178 OE1 GLN A 12 2.705 14.650 -4.132 1.00 0.00 O flip ATOM 179 NE2 GLN A 12 2.542 13.813 -2.055 1.00 0.00 N flip ATOM 0 H GLN A 12 7.245 14.091 -2.125 1.00 0.00 H new ATOM 0 HA GLN A 12 6.326 16.723 -2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.203 14.583 -0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.326 15.952 -1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.136 14.872 -3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.179 13.419 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.984 13.529 -1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.532 13.722 -2.169 1.00 0.00 H new ATOM 188 N ASN A 13 7.310 16.024 0.471 1.00 0.00 N ATOM 189 CA ASN A 13 7.681 16.623 1.748 1.00 0.00 C ATOM 190 C ASN A 13 8.637 17.794 1.542 1.00 0.00 C ATOM 191 O ASN A 13 8.530 18.821 2.212 1.00 0.00 O ATOM 192 CB ASN A 13 8.327 15.575 2.657 1.00 0.00 C ATOM 193 CG ASN A 13 7.302 14.780 3.443 1.00 0.00 C ATOM 194 OD1 ASN A 13 6.137 14.696 3.056 1.00 0.00 O ATOM 195 ND2 ASN A 13 7.734 14.192 4.552 1.00 0.00 N ATOM 0 H ASN A 13 7.490 15.022 0.407 1.00 0.00 H new ATOM 0 HA ASN A 13 6.774 16.997 2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.926 14.893 2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.008 16.069 3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.091 13.643 5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.709 14.289 4.834 1.00 0.00 H new ATOM 202 N VAL A 14 9.571 17.631 0.611 1.00 0.00 N ATOM 203 CA VAL A 14 10.545 18.675 0.315 1.00 0.00 C ATOM 204 C VAL A 14 9.882 19.868 -0.365 1.00 0.00 C ATOM 205 O VAL A 14 10.177 21.021 -0.046 1.00 0.00 O ATOM 206 CB VAL A 14 11.676 18.148 -0.588 1.00 0.00 C ATOM 207 CG1 VAL A 14 12.653 19.263 -0.927 1.00 0.00 C ATOM 208 CG2 VAL A 14 12.394 16.985 0.082 1.00 0.00 C ATOM 0 H VAL A 14 9.674 16.786 0.049 1.00 0.00 H new ATOM 0 HA VAL A 14 10.968 18.992 1.268 1.00 0.00 H new ATOM 0 HB VAL A 14 11.236 17.788 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.445 18.871 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.127 20.061 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 14 13.089 19.657 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.190 16.625 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.822 17.318 1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.685 16.178 0.268 1.00 0.00 H new ATOM 218 N CYS A 15 8.984 19.584 -1.302 1.00 0.00 N ATOM 219 CA CYS A 15 8.279 20.633 -2.028 1.00 0.00 C ATOM 220 C CYS A 15 7.549 21.566 -1.065 1.00 0.00 C ATOM 221 O CYS A 15 7.565 22.785 -1.234 1.00 0.00 O ATOM 222 CB CYS A 15 7.282 20.019 -3.013 1.00 0.00 C ATOM 223 SG CYS A 15 8.056 19.038 -4.339 1.00 0.00 S ATOM 0 H CYS A 15 8.727 18.636 -1.576 1.00 0.00 H new ATOM 0 HA CYS A 15 9.016 21.215 -2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.588 19.383 -2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.693 20.818 -3.463 1.00 0.00 H new ATOM 228 N ARG A 16 6.911 20.983 -0.055 1.00 0.00 N ATOM 229 CA ARG A 16 6.175 21.760 0.934 1.00 0.00 C ATOM 230 C ARG A 16 7.124 22.620 1.765 1.00 0.00 C ATOM 231 O ARG A 16 6.710 23.606 2.374 1.00 0.00 O ATOM 232 CB ARG A 16 5.375 20.833 1.850 1.00 0.00 C ATOM 233 CG ARG A 16 4.437 19.899 1.103 1.00 0.00 C ATOM 234 CD ARG A 16 4.262 18.580 1.839 1.00 0.00 C ATOM 235 NE ARG A 16 3.700 17.543 0.977 1.00 0.00 N ATOM 236 CZ ARG A 16 3.090 16.456 1.437 1.00 0.00 C ATOM 237 NH1 ARG A 16 2.963 16.266 2.743 1.00 0.00 N ATOM 238 NH2 ARG A 16 2.604 15.558 0.590 1.00 0.00 N ATOM 0 H ARG A 16 6.889 19.975 0.099 1.00 0.00 H new ATOM 0 HA ARG A 16 5.486 22.418 0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.068 20.238 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.794 21.437 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.466 20.379 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.829 19.710 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.227 18.249 2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.610 18.729 2.700 1.00 0.00 H new ATOM 0 HE ARG A 16 3.780 17.660 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.334 16.955 3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.494 15.431 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.698 15.702 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.136 14.724 0.944 1.00 0.00 H new ATOM 252 N MET A 17 8.396 22.237 1.786 1.00 0.00 N ATOM 253 CA MET A 17 9.403 22.973 2.541 1.00 0.00 C ATOM 254 C MET A 17 9.994 24.102 1.703 1.00 0.00 C ATOM 255 O MET A 17 10.906 24.803 2.141 1.00 0.00 O ATOM 256 CB MET A 17 10.515 22.030 3.004 1.00 0.00 C ATOM 257 CG MET A 17 10.222 21.350 4.331 1.00 0.00 C ATOM 258 SD MET A 17 11.719 20.974 5.264 1.00 0.00 S ATOM 259 CE MET A 17 11.083 20.972 6.938 1.00 0.00 C ATOM 0 H MET A 17 8.754 21.421 1.289 1.00 0.00 H new ATOM 0 HA MET A 17 8.919 23.408 3.415 1.00 0.00 H new ATOM 0 HB2 MET A 17 10.674 21.267 2.242 1.00 0.00 H new ATOM 0 HB3 MET A 17 11.444 22.593 3.091 1.00 0.00 H new ATOM 0 HG2 MET A 17 9.577 21.993 4.930 1.00 0.00 H new ATOM 0 HG3 MET A 17 9.671 20.427 4.148 1.00 0.00 H new ATOM 0 HE1 MET A 17 11.893 20.754 7.635 1.00 0.00 H new ATOM 0 HE2 MET A 17 10.660 21.950 7.168 1.00 0.00 H new ATOM 0 HE3 MET A 17 10.308 20.211 7.032 1.00 0.00 H new ATOM 269 N LYS A 18 9.468 24.273 0.494 1.00 0.00 N ATOM 270 CA LYS A 18 9.943 25.317 -0.406 1.00 0.00 C ATOM 271 C LYS A 18 9.443 26.688 0.038 1.00 0.00 C ATOM 272 O LYS A 18 8.358 26.808 0.608 1.00 0.00 O ATOM 273 CB LYS A 18 9.482 25.033 -1.837 1.00 0.00 C ATOM 274 CG LYS A 18 10.087 23.774 -2.433 1.00 0.00 C ATOM 275 CD LYS A 18 11.606 23.835 -2.439 1.00 0.00 C ATOM 276 CE LYS A 18 12.198 22.873 -3.457 1.00 0.00 C ATOM 277 NZ LYS A 18 11.673 21.490 -3.285 1.00 0.00 N ATOM 0 H LYS A 18 8.713 23.702 0.115 1.00 0.00 H new ATOM 0 HA LYS A 18 11.033 25.320 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.396 24.945 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.739 25.884 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.759 22.906 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.723 23.641 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.930 24.851 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.985 23.594 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.971 23.225 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.284 22.864 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.468 20.822 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.108 21.439 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.076 21.241 -4.100 1.00 0.00 H new ATOM 291 N ARG A 19 10.239 27.718 -0.228 1.00 0.00 N ATOM 292 CA ARG A 19 9.876 29.080 0.145 1.00 0.00 C ATOM 293 C ARG A 19 9.222 29.809 -1.025 1.00 0.00 C ATOM 294 O ARG A 19 9.333 31.029 -1.149 1.00 0.00 O ATOM 295 CB ARG A 19 11.113 29.850 0.613 1.00 0.00 C ATOM 296 CG ARG A 19 10.812 30.909 1.660 1.00 0.00 C ATOM 297 CD ARG A 19 11.935 31.930 1.760 1.00 0.00 C ATOM 298 NE ARG A 19 13.232 31.296 1.981 1.00 0.00 N ATOM 299 CZ ARG A 19 14.373 31.970 2.069 1.00 0.00 C ATOM 300 NH1 ARG A 19 14.377 33.291 1.955 1.00 0.00 N ATOM 301 NH2 ARG A 19 15.514 31.323 2.272 1.00 0.00 N ATOM 0 H ARG A 19 11.139 27.636 -0.700 1.00 0.00 H new ATOM 0 HA ARG A 19 9.158 29.027 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.837 29.144 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.582 30.326 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.880 31.415 1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.665 30.432 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.971 32.520 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.725 32.621 2.576 1.00 0.00 H new ATOM 0 HE ARG A 19 13.263 30.281 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.502 33.792 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.255 33.806 2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.515 30.307 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.390 31.842 2.339 1.00 0.00 H new ATOM 315 N TRP A 20 8.542 29.054 -1.879 1.00 0.00 N ATOM 316 CA TRP A 20 7.871 29.629 -3.040 1.00 0.00 C ATOM 317 C TRP A 20 6.362 29.682 -2.825 1.00 0.00 C ATOM 318 O TRP A 20 5.835 29.059 -1.903 1.00 0.00 O ATOM 319 CB TRP A 20 8.191 28.815 -4.295 1.00 0.00 C ATOM 320 CG TRP A 20 9.659 28.600 -4.505 1.00 0.00 C ATOM 321 CD1 TRP A 20 10.657 29.512 -4.308 1.00 0.00 C ATOM 322 CD2 TRP A 20 10.294 27.398 -4.954 1.00 0.00 C ATOM 323 NE1 TRP A 20 11.874 28.949 -4.608 1.00 0.00 N ATOM 324 CE2 TRP A 20 11.678 27.652 -5.005 1.00 0.00 C ATOM 325 CE3 TRP A 20 9.828 26.131 -5.315 1.00 0.00 C ATOM 326 CZ2 TRP A 20 12.598 26.686 -5.405 1.00 0.00 C ATOM 327 CZ3 TRP A 20 10.742 25.173 -5.711 1.00 0.00 C ATOM 328 CH2 TRP A 20 12.114 25.454 -5.753 1.00 0.00 C ATOM 0 H TRP A 20 8.440 28.043 -1.790 1.00 0.00 H new ATOM 0 HA TRP A 20 8.237 30.647 -3.173 1.00 0.00 H new ATOM 0 HB2 TRP A 20 7.695 27.847 -4.227 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.778 29.325 -5.165 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.511 30.526 -3.967 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.777 29.420 -4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 20 8.772 25.904 -5.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.656 26.901 -5.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 10.393 24.191 -5.993 1.00 0.00 H new ATOM 0 HH2 TRP A 20 12.803 24.683 -6.066 1.00 0.00 H new ATOM 339 N SER A 21 5.672 30.430 -3.680 1.00 0.00 N ATOM 340 CA SER A 21 4.224 30.565 -3.582 1.00 0.00 C ATOM 341 C SER A 21 3.551 29.196 -3.554 1.00 0.00 C ATOM 342 O SER A 21 4.115 28.204 -4.016 1.00 0.00 O ATOM 343 CB SER A 21 3.686 31.387 -4.755 1.00 0.00 C ATOM 344 OG SER A 21 3.935 30.736 -5.989 1.00 0.00 O ATOM 0 H SER A 21 6.093 30.952 -4.449 1.00 0.00 H new ATOM 0 HA SER A 21 3.995 31.082 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.614 31.544 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.154 32.372 -4.758 1.00 0.00 H new ATOM 0 HG SER A 21 3.580 31.280 -6.723 1.00 0.00 H new ATOM 350 N THR A 22 2.339 29.150 -3.008 1.00 0.00 N ATOM 351 CA THR A 22 1.588 27.905 -2.919 1.00 0.00 C ATOM 352 C THR A 22 1.511 27.211 -4.274 1.00 0.00 C ATOM 353 O THR A 22 1.435 25.985 -4.349 1.00 0.00 O ATOM 354 CB THR A 22 0.159 28.147 -2.397 1.00 0.00 C ATOM 355 OG1 THR A 22 -0.548 26.905 -2.311 1.00 0.00 O ATOM 356 CG2 THR A 22 -0.595 29.103 -3.309 1.00 0.00 C ATOM 0 H THR A 22 1.857 29.962 -2.621 1.00 0.00 H new ATOM 0 HA THR A 22 2.120 27.265 -2.216 1.00 0.00 H new ATOM 0 HB THR A 22 0.229 28.594 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.455 27.067 -1.977 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.601 29.259 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.070 30.057 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.655 28.679 -4.311 1.00 0.00 H new ATOM 364 N GLU A 23 1.533 28.002 -5.341 1.00 0.00 N ATOM 365 CA GLU A 23 1.468 27.462 -6.694 1.00 0.00 C ATOM 366 C GLU A 23 2.665 26.559 -6.978 1.00 0.00 C ATOM 367 O GLU A 23 2.514 25.461 -7.513 1.00 0.00 O ATOM 368 CB GLU A 23 1.417 28.596 -7.719 1.00 0.00 C ATOM 369 CG GLU A 23 0.025 29.171 -7.922 1.00 0.00 C ATOM 370 CD GLU A 23 -0.797 28.372 -8.914 1.00 0.00 C ATOM 371 OE1 GLU A 23 -0.552 28.506 -10.131 1.00 0.00 O ATOM 372 OE2 GLU A 23 -1.686 27.613 -8.474 1.00 0.00 O ATOM 0 H GLU A 23 1.595 29.019 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 23 0.558 26.867 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.087 29.394 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.792 28.228 -8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.495 29.200 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.108 30.200 -8.271 1.00 0.00 H new ATOM 379 N MET A 24 3.853 27.030 -6.615 1.00 0.00 N ATOM 380 CA MET A 24 5.076 26.266 -6.831 1.00 0.00 C ATOM 381 C MET A 24 5.073 24.988 -5.999 1.00 0.00 C ATOM 382 O MET A 24 5.630 23.968 -6.408 1.00 0.00 O ATOM 383 CB MET A 24 6.301 27.114 -6.481 1.00 0.00 C ATOM 384 CG MET A 24 6.697 28.091 -7.576 1.00 0.00 C ATOM 385 SD MET A 24 8.480 28.337 -7.675 1.00 0.00 S ATOM 386 CE MET A 24 8.881 27.341 -9.108 1.00 0.00 C ATOM 0 H MET A 24 3.995 27.937 -6.170 1.00 0.00 H new ATOM 0 HA MET A 24 5.122 25.992 -7.885 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.098 27.670 -5.565 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.143 26.453 -6.273 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.331 27.724 -8.535 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.211 29.050 -7.395 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.953 27.392 -9.298 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.594 26.306 -8.924 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.341 27.718 -9.976 1.00 0.00 H new ATOM 396 N VAL A 25 4.443 25.049 -4.831 1.00 0.00 N ATOM 397 CA VAL A 25 4.366 23.895 -3.942 1.00 0.00 C ATOM 398 C VAL A 25 3.417 22.838 -4.496 1.00 0.00 C ATOM 399 O VAL A 25 3.717 21.644 -4.469 1.00 0.00 O ATOM 400 CB VAL A 25 3.897 24.302 -2.533 1.00 0.00 C ATOM 401 CG1 VAL A 25 3.973 23.118 -1.582 1.00 0.00 C ATOM 402 CG2 VAL A 25 4.725 25.468 -2.013 1.00 0.00 C ATOM 0 H VAL A 25 3.978 25.885 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 25 5.371 23.479 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 25 2.857 24.622 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.638 23.425 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.334 22.315 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.002 22.764 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.380 25.743 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.774 25.177 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.614 26.320 -2.683 1.00 0.00 H new ATOM 412 N HIS A 26 2.271 23.285 -4.999 1.00 0.00 N ATOM 413 CA HIS A 26 1.278 22.377 -5.563 1.00 0.00 C ATOM 414 C HIS A 26 1.832 21.661 -6.791 1.00 0.00 C ATOM 415 O HIS A 26 1.851 20.431 -6.849 1.00 0.00 O ATOM 416 CB HIS A 26 0.008 23.143 -5.934 1.00 0.00 C ATOM 417 CG HIS A 26 -0.794 23.584 -4.749 1.00 0.00 C ATOM 418 ND1 HIS A 26 -2.115 23.970 -4.835 1.00 0.00 N ATOM 419 CD2 HIS A 26 -0.455 23.696 -3.443 1.00 0.00 C ATOM 420 CE1 HIS A 26 -2.553 24.303 -3.634 1.00 0.00 C ATOM 421 NE2 HIS A 26 -1.566 24.145 -2.771 1.00 0.00 N ATOM 0 H HIS A 26 2.007 24.270 -5.028 1.00 0.00 H new ATOM 0 HA HIS A 26 1.035 21.630 -4.808 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.281 24.018 -6.524 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.614 22.512 -6.569 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.509 23.474 -3.010 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.549 24.646 -3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.620 24.327 -1.769 1.00 0.00 H new ATOM 429 N ARG A 27 2.281 22.439 -7.771 1.00 0.00 N ATOM 430 CA ARG A 27 2.833 21.879 -8.998 1.00 0.00 C ATOM 431 C ARG A 27 3.968 20.907 -8.690 1.00 0.00 C ATOM 432 O ARG A 27 4.030 19.810 -9.247 1.00 0.00 O ATOM 433 CB ARG A 27 3.339 22.997 -9.911 1.00 0.00 C ATOM 434 CG ARG A 27 4.302 23.954 -9.227 1.00 0.00 C ATOM 435 CD ARG A 27 5.748 23.630 -9.570 1.00 0.00 C ATOM 436 NE ARG A 27 6.205 24.354 -10.753 1.00 0.00 N ATOM 437 CZ ARG A 27 7.415 24.210 -11.281 1.00 0.00 C ATOM 438 NH1 ARG A 27 8.285 23.373 -10.733 1.00 0.00 N ATOM 439 NH2 ARG A 27 7.757 24.905 -12.359 1.00 0.00 N ATOM 0 H ARG A 27 2.273 23.458 -7.739 1.00 0.00 H new ATOM 0 HA ARG A 27 2.039 21.333 -9.508 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.834 22.553 -10.775 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.486 23.561 -10.287 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.076 24.977 -9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.163 23.902 -8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.386 23.880 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.849 22.558 -9.740 1.00 0.00 H new ATOM 0 HE ARG A 27 5.559 25.006 -11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.025 22.838 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.214 23.264 -11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.090 25.550 -12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.687 24.794 -12.764 1.00 0.00 H new ATOM 453 N CYS A 28 4.866 21.316 -7.799 1.00 0.00 N ATOM 454 CA CYS A 28 5.998 20.482 -7.415 1.00 0.00 C ATOM 455 C CYS A 28 5.529 19.099 -6.973 1.00 0.00 C ATOM 456 O CYS A 28 6.045 18.081 -7.434 1.00 0.00 O ATOM 457 CB CYS A 28 6.790 21.149 -6.288 1.00 0.00 C ATOM 458 SG CYS A 28 8.356 20.310 -5.883 1.00 0.00 S ATOM 0 H CYS A 28 4.831 22.221 -7.329 1.00 0.00 H new ATOM 0 HA CYS A 28 6.644 20.366 -8.285 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.005 22.180 -6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.168 21.186 -5.394 1.00 0.00 H new ATOM 463 N GLU A 29 4.548 19.071 -6.076 1.00 0.00 N ATOM 464 CA GLU A 29 4.013 17.813 -5.570 1.00 0.00 C ATOM 465 C GLU A 29 3.371 17.003 -6.693 1.00 0.00 C ATOM 466 O GLU A 29 3.712 15.840 -6.909 1.00 0.00 O ATOM 467 CB GLU A 29 2.986 18.077 -4.466 1.00 0.00 C ATOM 468 CG GLU A 29 3.596 18.621 -3.185 1.00 0.00 C ATOM 469 CD GLU A 29 2.645 18.542 -2.007 1.00 0.00 C ATOM 470 OE1 GLU A 29 2.171 17.428 -1.701 1.00 0.00 O ATOM 471 OE2 GLU A 29 2.373 19.594 -1.391 1.00 0.00 O ATOM 0 H GLU A 29 4.108 19.904 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 29 4.841 17.236 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.243 18.785 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.459 17.149 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.503 18.063 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.891 19.659 -3.340 1.00 0.00 H new ATOM 478 N LYS A 30 2.440 17.627 -7.406 1.00 0.00 N ATOM 479 CA LYS A 30 1.750 16.968 -8.509 1.00 0.00 C ATOM 480 C LYS A 30 2.748 16.411 -9.519 1.00 0.00 C ATOM 481 O LYS A 30 2.511 15.370 -10.132 1.00 0.00 O ATOM 482 CB LYS A 30 0.800 17.947 -9.202 1.00 0.00 C ATOM 483 CG LYS A 30 -0.648 17.800 -8.768 1.00 0.00 C ATOM 484 CD LYS A 30 -1.536 17.373 -9.925 1.00 0.00 C ATOM 485 CE LYS A 30 -1.637 18.462 -10.982 1.00 0.00 C ATOM 486 NZ LYS A 30 -2.223 19.716 -10.432 1.00 0.00 N ATOM 0 H LYS A 30 2.145 18.589 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 30 1.172 16.139 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.130 18.966 -8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.864 17.801 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.716 17.065 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.006 18.747 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.137 16.464 -10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.532 17.133 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.646 18.670 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.250 18.108 -11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.541 20.323 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.033 19.483 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.504 20.219 -9.874 1.00 0.00 H new ATOM 500 N LYS A 31 3.866 17.109 -9.687 1.00 0.00 N ATOM 501 CA LYS A 31 4.902 16.684 -10.621 1.00 0.00 C ATOM 502 C LYS A 31 5.569 15.397 -10.145 1.00 0.00 C ATOM 503 O LYS A 31 5.660 14.421 -10.890 1.00 0.00 O ATOM 504 CB LYS A 31 5.952 17.785 -10.785 1.00 0.00 C ATOM 505 CG LYS A 31 5.545 18.872 -11.765 1.00 0.00 C ATOM 506 CD LYS A 31 5.750 18.431 -13.205 1.00 0.00 C ATOM 507 CE LYS A 31 5.677 19.608 -14.164 1.00 0.00 C ATOM 508 NZ LYS A 31 4.271 19.976 -14.486 1.00 0.00 N ATOM 0 H LYS A 31 4.078 17.973 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 31 4.431 16.493 -11.585 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.146 18.238 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.887 17.337 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.498 19.131 -11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.128 19.773 -11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.719 17.941 -13.302 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.992 17.695 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.185 20.466 -13.725 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.207 19.360 -15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.265 20.783 -15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.793 19.166 -14.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.772 20.237 -13.612 1.00 0.00 H new ATOM 522 N CYS A 32 6.033 15.402 -8.900 1.00 0.00 N ATOM 523 CA CYS A 32 6.689 14.235 -8.324 1.00 0.00 C ATOM 524 C CYS A 32 5.756 13.028 -8.329 1.00 0.00 C ATOM 525 O CYS A 32 6.207 11.883 -8.333 1.00 0.00 O ATOM 526 CB CYS A 32 7.146 14.535 -6.895 1.00 0.00 C ATOM 527 SG CYS A 32 8.626 15.592 -6.793 1.00 0.00 S ATOM 0 H CYS A 32 5.967 16.202 -8.271 1.00 0.00 H new ATOM 0 HA CYS A 32 7.560 14.000 -8.935 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.330 15.018 -6.358 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.349 13.593 -6.385 1.00 0.00 H new ATOM 532 N GLU A 33 4.453 13.294 -8.328 1.00 0.00 N ATOM 533 CA GLU A 33 3.457 12.229 -8.332 1.00 0.00 C ATOM 534 C GLU A 33 3.351 11.588 -9.713 1.00 0.00 C ATOM 535 O GLU A 33 3.306 10.365 -9.838 1.00 0.00 O ATOM 536 CB GLU A 33 2.093 12.776 -7.906 1.00 0.00 C ATOM 537 CG GLU A 33 1.860 12.728 -6.405 1.00 0.00 C ATOM 538 CD GLU A 33 1.338 11.383 -5.939 1.00 0.00 C ATOM 539 OE1 GLU A 33 1.562 10.380 -6.648 1.00 0.00 O ATOM 540 OE2 GLU A 33 0.706 11.334 -4.862 1.00 0.00 O ATOM 0 H GLU A 33 4.063 14.237 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 33 3.774 11.467 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.002 13.807 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.310 12.205 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.794 12.950 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.149 13.506 -6.126 1.00 0.00 H new ATOM 547 N GLU A 34 3.312 12.424 -10.746 1.00 0.00 N ATOM 548 CA GLU A 34 3.210 11.939 -12.117 1.00 0.00 C ATOM 549 C GLU A 34 4.539 11.354 -12.588 1.00 0.00 C ATOM 550 O GLU A 34 4.572 10.341 -13.287 1.00 0.00 O ATOM 551 CB GLU A 34 2.778 13.071 -13.052 1.00 0.00 C ATOM 552 CG GLU A 34 3.687 14.287 -12.995 1.00 0.00 C ATOM 553 CD GLU A 34 3.258 15.381 -13.953 1.00 0.00 C ATOM 554 OE1 GLU A 34 2.242 16.051 -13.671 1.00 0.00 O ATOM 555 OE2 GLU A 34 3.938 15.568 -14.984 1.00 0.00 O ATOM 0 H GLU A 34 3.349 13.440 -10.659 1.00 0.00 H new ATOM 0 HA GLU A 34 2.457 11.151 -12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.751 12.696 -14.075 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.763 13.374 -12.797 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.696 14.682 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.708 13.984 -13.229 1.00 0.00 H new ATOM 562 N LYS A 35 5.633 12.001 -12.201 1.00 0.00 N ATOM 563 CA LYS A 35 6.965 11.547 -12.580 1.00 0.00 C ATOM 564 C LYS A 35 7.302 10.222 -11.905 1.00 0.00 C ATOM 565 O LYS A 35 8.248 9.537 -12.295 1.00 0.00 O ATOM 566 CB LYS A 35 8.011 12.601 -12.208 1.00 0.00 C ATOM 567 CG LYS A 35 8.776 13.147 -13.402 1.00 0.00 C ATOM 568 CD LYS A 35 9.348 14.525 -13.115 1.00 0.00 C ATOM 569 CE LYS A 35 10.758 14.436 -12.550 1.00 0.00 C ATOM 570 NZ LYS A 35 10.767 13.890 -11.164 1.00 0.00 N ATOM 0 H LYS A 35 5.623 12.842 -11.624 1.00 0.00 H new ATOM 0 HA LYS A 35 6.976 11.397 -13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.517 13.426 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.718 12.166 -11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.584 12.463 -13.661 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.114 13.200 -14.266 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.359 15.114 -14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.704 15.048 -12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.368 13.802 -13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.214 15.426 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.626 14.208 -10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.928 14.230 -10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.753 12.851 -11.200 1.00 0.00 H new ATOM 584 N PHE A 36 6.521 9.864 -10.891 1.00 0.00 N ATOM 585 CA PHE A 36 6.735 8.619 -10.163 1.00 0.00 C ATOM 586 C PHE A 36 6.266 7.422 -10.984 1.00 0.00 C ATOM 587 O PHE A 36 6.679 6.289 -10.739 1.00 0.00 O ATOM 588 CB PHE A 36 5.997 8.654 -8.823 1.00 0.00 C ATOM 589 CG PHE A 36 6.831 8.181 -7.667 1.00 0.00 C ATOM 590 CD1 PHE A 36 7.771 9.017 -7.086 1.00 0.00 C ATOM 591 CD2 PHE A 36 6.675 6.901 -7.160 1.00 0.00 C ATOM 592 CE1 PHE A 36 8.541 8.584 -6.023 1.00 0.00 C ATOM 593 CE2 PHE A 36 7.441 6.463 -6.097 1.00 0.00 C ATOM 594 CZ PHE A 36 8.375 7.306 -5.527 1.00 0.00 C ATOM 0 H PHE A 36 5.734 10.419 -10.555 1.00 0.00 H new ATOM 0 HA PHE A 36 7.804 8.514 -9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.664 9.673 -8.627 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.103 8.034 -8.893 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.903 10.018 -7.468 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.946 6.238 -7.601 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.272 9.245 -5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.310 5.463 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.974 6.966 -4.695 1.00 0.00 H new