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= -0.152 X(o=-0.15,f=-0.52) USER MOD Single : A 6 GLN : amide:sc= -0.0947 K(o=-0.095,f=-0.66) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0859 F(o=-1.2,f=-0.086) USER MOD Single : A 13 ASN : amide:sc= -0.974 K(o=-0.97,f=-1.7) 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 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.02) 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 8.089 4.352 -4.158 1.00 0.00 N ATOM 64 CA GLN A 5 7.428 5.639 -3.977 1.00 0.00 C ATOM 65 C GLN A 5 7.863 6.295 -2.671 1.00 0.00 C ATOM 66 O GLN A 5 7.519 7.445 -2.399 1.00 0.00 O ATOM 67 CB GLN A 5 5.908 5.462 -3.990 1.00 0.00 C ATOM 68 CG GLN A 5 5.375 4.884 -5.292 1.00 0.00 C ATOM 69 CD GLN A 5 5.787 5.697 -6.503 1.00 0.00 C ATOM 70 OE1 GLN A 5 5.859 6.925 -6.446 1.00 0.00 O ATOM 71 NE2 GLN A 5 6.061 5.015 -7.609 1.00 0.00 N ATOM 0 HA GLN A 5 7.719 6.288 -4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.619 4.809 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.436 6.428 -3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.735 3.862 -5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.287 4.835 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.988 3.998 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.344 5.509 -8.456 1.00 0.00 H new ATOM 80 N GLN A 6 8.620 5.556 -1.866 1.00 0.00 N ATOM 81 CA GLN A 6 9.101 6.067 -0.588 1.00 0.00 C ATOM 82 C GLN A 6 9.856 7.379 -0.775 1.00 0.00 C ATOM 83 O GLN A 6 9.823 8.252 0.091 1.00 0.00 O ATOM 84 CB GLN A 6 10.006 5.036 0.089 1.00 0.00 C ATOM 85 CG GLN A 6 9.243 3.913 0.773 1.00 0.00 C ATOM 86 CD GLN A 6 8.913 4.227 2.219 1.00 0.00 C ATOM 87 OE1 GLN A 6 9.747 4.752 2.958 1.00 0.00 O ATOM 88 NE2 GLN A 6 7.692 3.908 2.631 1.00 0.00 N ATOM 0 H GLN A 6 8.913 4.602 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 6 8.236 6.255 0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.676 4.607 -0.657 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.631 5.541 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.319 3.722 0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.834 2.998 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.033 3.474 1.985 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.413 4.097 3.594 1.00 0.00 H new ATOM 97 N GLU A 7 10.534 7.509 -1.910 1.00 0.00 N ATOM 98 CA GLU A 7 11.297 8.715 -2.209 1.00 0.00 C ATOM 99 C GLU A 7 10.367 9.882 -2.529 1.00 0.00 C ATOM 100 O GLU A 7 10.655 11.031 -2.191 1.00 0.00 O ATOM 101 CB GLU A 7 12.245 8.468 -3.385 1.00 0.00 C ATOM 102 CG GLU A 7 13.708 8.398 -2.983 1.00 0.00 C ATOM 103 CD GLU A 7 14.247 9.733 -2.508 1.00 0.00 C ATOM 104 OE1 GLU A 7 14.153 10.716 -3.272 1.00 0.00 O ATOM 105 OE2 GLU A 7 14.763 9.796 -1.372 1.00 0.00 O ATOM 0 H GLU A 7 10.571 6.795 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 7 11.883 8.971 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.967 7.535 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.116 9.264 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.828 7.659 -2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.298 8.054 -3.832 1.00 0.00 H new ATOM 112 N LEU A 8 9.250 9.579 -3.182 1.00 0.00 N ATOM 113 CA LEU A 8 8.275 10.601 -3.546 1.00 0.00 C ATOM 114 C LEU A 8 7.864 11.420 -2.327 1.00 0.00 C ATOM 115 O LEU A 8 7.850 12.650 -2.370 1.00 0.00 O ATOM 116 CB LEU A 8 7.042 9.955 -4.181 1.00 0.00 C ATOM 117 CG LEU A 8 5.962 10.916 -4.677 1.00 0.00 C ATOM 118 CD1 LEU A 8 6.548 11.918 -5.660 1.00 0.00 C ATOM 119 CD2 LEU A 8 4.816 10.146 -5.317 1.00 0.00 C ATOM 0 H LEU A 8 8.997 8.634 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 8 8.740 11.270 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.369 9.343 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.593 9.281 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 8 5.571 11.465 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.764 12.594 -6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.333 12.493 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.967 11.387 -6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.056 10.846 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.192 9.570 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.378 9.470 -4.583 1.00 0.00 H new ATOM 131 N GLU A 9 7.531 10.730 -1.241 1.00 0.00 N ATOM 132 CA GLU A 9 7.122 11.395 -0.010 1.00 0.00 C ATOM 133 C GLU A 9 8.144 12.448 0.406 1.00 0.00 C ATOM 134 O GLU A 9 7.784 13.516 0.899 1.00 0.00 O ATOM 135 CB GLU A 9 6.942 10.371 1.113 1.00 0.00 C ATOM 136 CG GLU A 9 5.630 9.608 1.038 1.00 0.00 C ATOM 137 CD GLU A 9 4.514 10.290 1.806 1.00 0.00 C ATOM 138 OE1 GLU A 9 3.933 11.259 1.273 1.00 0.00 O ATOM 139 OE2 GLU A 9 4.222 9.855 2.939 1.00 0.00 O ATOM 0 H GLU A 9 7.536 9.711 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 9 6.170 11.892 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.768 9.660 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.000 10.884 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.335 9.501 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.776 8.602 1.432 1.00 0.00 H new ATOM 146 N GLU A 10 9.421 12.137 0.204 1.00 0.00 N ATOM 147 CA GLU A 10 10.496 13.055 0.560 1.00 0.00 C ATOM 148 C GLU A 10 10.501 14.271 -0.362 1.00 0.00 C ATOM 149 O GLU A 10 10.733 15.398 0.077 1.00 0.00 O ATOM 150 CB GLU A 10 11.849 12.344 0.491 1.00 0.00 C ATOM 151 CG GLU A 10 11.925 11.096 1.355 1.00 0.00 C ATOM 152 CD GLU A 10 12.229 11.410 2.807 1.00 0.00 C ATOM 153 OE1 GLU A 10 13.220 12.126 3.064 1.00 0.00 O ATOM 154 OE2 GLU A 10 11.478 10.940 3.687 1.00 0.00 O ATOM 0 H GLU A 10 9.736 11.257 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 10 10.324 13.395 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.055 12.072 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.631 13.038 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.979 10.558 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.695 10.432 0.962 1.00 0.00 H new ATOM 161 N CYS A 11 10.244 14.034 -1.644 1.00 0.00 N ATOM 162 CA CYS A 11 10.217 15.108 -2.630 1.00 0.00 C ATOM 163 C CYS A 11 9.103 16.103 -2.320 1.00 0.00 C ATOM 164 O CYS A 11 9.345 17.305 -2.214 1.00 0.00 O ATOM 165 CB CYS A 11 10.027 14.533 -4.036 1.00 0.00 C ATOM 166 SG CYS A 11 10.674 15.595 -5.367 1.00 0.00 S ATOM 0 H CYS A 11 10.051 13.107 -2.025 1.00 0.00 H new ATOM 0 HA CYS A 11 11.171 15.633 -2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.519 13.562 -4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.964 14.362 -4.206 1.00 0.00 H new ATOM 171 N GLN A 12 7.885 15.593 -2.177 1.00 0.00 N ATOM 172 CA GLN A 12 6.734 16.438 -1.879 1.00 0.00 C ATOM 173 C GLN A 12 6.879 17.091 -0.508 1.00 0.00 C ATOM 174 O GLN A 12 6.557 18.265 -0.332 1.00 0.00 O ATOM 175 CB GLN A 12 5.444 15.617 -1.932 1.00 0.00 C ATOM 176 CG GLN A 12 5.246 14.880 -3.247 1.00 0.00 C ATOM 177 CD GLN A 12 3.800 14.496 -3.488 1.00 0.00 C ATOM 178 OE1 GLN A 12 3.165 15.153 -4.453 1.00 0.00 O flip ATOM 179 NE2 GLN A 12 3.258 13.619 -2.815 1.00 0.00 N flip ATOM 0 H GLN A 12 7.669 14.600 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 12 6.687 17.224 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.450 14.893 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.594 16.279 -1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.593 15.509 -4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.862 13.981 -3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.783 13.140 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.284 13.372 -2.989 1.00 0.00 H new ATOM 188 N ASN A 13 7.364 16.321 0.461 1.00 0.00 N ATOM 189 CA ASN A 13 7.549 16.824 1.817 1.00 0.00 C ATOM 190 C ASN A 13 8.425 18.073 1.819 1.00 0.00 C ATOM 191 O ASN A 13 8.102 19.070 2.466 1.00 0.00 O ATOM 192 CB ASN A 13 8.178 15.745 2.702 1.00 0.00 C ATOM 193 CG ASN A 13 7.143 14.809 3.295 1.00 0.00 C ATOM 194 OD1 ASN A 13 6.066 14.617 2.730 1.00 0.00 O ATOM 195 ND2 ASN A 13 7.466 14.220 4.441 1.00 0.00 N ATOM 0 H ASN A 13 7.636 15.346 0.332 1.00 0.00 H new ATOM 0 HA ASN A 13 6.570 17.088 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.892 15.168 2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.738 16.220 3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.810 13.579 4.888 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.370 14.408 4.874 1.00 0.00 H new ATOM 202 N VAL A 14 9.535 18.013 1.090 1.00 0.00 N ATOM 203 CA VAL A 14 10.456 19.140 1.005 1.00 0.00 C ATOM 204 C VAL A 14 9.799 20.336 0.326 1.00 0.00 C ATOM 205 O VAL A 14 9.957 21.476 0.765 1.00 0.00 O ATOM 206 CB VAL A 14 11.734 18.763 0.232 1.00 0.00 C ATOM 207 CG1 VAL A 14 12.663 19.962 0.119 1.00 0.00 C ATOM 208 CG2 VAL A 14 12.438 17.594 0.904 1.00 0.00 C ATOM 0 H VAL A 14 9.818 17.196 0.550 1.00 0.00 H new ATOM 0 HA VAL A 14 10.724 19.408 2.027 1.00 0.00 H new ATOM 0 HB VAL A 14 11.451 18.457 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.560 19.677 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.154 20.768 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.941 20.302 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.339 17.341 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.709 17.870 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.771 16.732 0.927 1.00 0.00 H new ATOM 218 N CYS A 15 9.060 20.070 -0.746 1.00 0.00 N ATOM 219 CA CYS A 15 8.379 21.125 -1.487 1.00 0.00 C ATOM 220 C CYS A 15 7.489 21.951 -0.563 1.00 0.00 C ATOM 221 O CYS A 15 7.479 23.180 -0.630 1.00 0.00 O ATOM 222 CB CYS A 15 7.540 20.523 -2.616 1.00 0.00 C ATOM 223 SG CYS A 15 8.523 19.741 -3.936 1.00 0.00 S ATOM 0 H CYS A 15 8.917 19.132 -1.121 1.00 0.00 H new ATOM 0 HA CYS A 15 9.137 21.781 -1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.862 19.781 -2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.922 21.307 -3.054 1.00 0.00 H new ATOM 228 N ARG A 16 6.744 21.267 0.299 1.00 0.00 N ATOM 229 CA ARG A 16 5.850 21.937 1.236 1.00 0.00 C ATOM 230 C ARG A 16 6.640 22.780 2.233 1.00 0.00 C ATOM 231 O ARG A 16 6.095 23.682 2.868 1.00 0.00 O ATOM 232 CB ARG A 16 4.996 20.911 1.983 1.00 0.00 C ATOM 233 CG ARG A 16 4.195 20.002 1.065 1.00 0.00 C ATOM 234 CD ARG A 16 4.018 18.617 1.669 1.00 0.00 C ATOM 235 NE ARG A 16 3.620 17.631 0.668 1.00 0.00 N ATOM 236 CZ ARG A 16 3.032 16.478 0.966 1.00 0.00 C ATOM 237 NH1 ARG A 16 2.775 16.168 2.229 1.00 0.00 N ATOM 238 NH2 ARG A 16 2.700 15.632 -0.001 1.00 0.00 N ATOM 0 H ARG A 16 6.742 20.249 0.368 1.00 0.00 H new ATOM 0 HA ARG A 16 5.196 22.597 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.644 20.299 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.311 21.436 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.217 20.445 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.700 19.919 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.951 18.303 2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.266 18.658 2.457 1.00 0.00 H new ATOM 0 HE ARG A 16 3.804 17.839 -0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.029 16.816 2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.323 15.282 2.455 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.896 15.867 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.248 14.747 0.229 1.00 0.00 H new ATOM 252 N MET A 17 7.927 22.477 2.366 1.00 0.00 N ATOM 253 CA MET A 17 8.793 23.208 3.286 1.00 0.00 C ATOM 254 C MET A 17 9.426 24.412 2.596 1.00 0.00 C ATOM 255 O MET A 17 10.238 25.123 3.187 1.00 0.00 O ATOM 256 CB MET A 17 9.884 22.286 3.833 1.00 0.00 C ATOM 257 CG MET A 17 9.570 21.723 5.209 1.00 0.00 C ATOM 258 SD MET A 17 10.711 22.308 6.477 1.00 0.00 S ATOM 259 CE MET A 17 9.898 21.723 7.961 1.00 0.00 C ATOM 0 H MET A 17 8.394 21.731 1.849 1.00 0.00 H new ATOM 0 HA MET A 17 8.182 23.567 4.114 1.00 0.00 H new ATOM 0 HB2 MET A 17 10.033 21.460 3.137 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.823 22.837 3.880 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.553 21.999 5.486 1.00 0.00 H new ATOM 0 HG3 MET A 17 9.605 20.634 5.168 1.00 0.00 H new ATOM 0 HE1 MET A 17 10.485 22.008 8.834 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.905 22.167 8.031 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.809 20.637 7.923 1.00 0.00 H new ATOM 269 N LYS A 18 9.050 24.634 1.341 1.00 0.00 N ATOM 270 CA LYS A 18 9.580 25.752 0.569 1.00 0.00 C ATOM 271 C LYS A 18 8.954 27.069 1.018 1.00 0.00 C ATOM 272 O LYS A 18 7.813 27.099 1.479 1.00 0.00 O ATOM 273 CB LYS A 18 9.324 25.535 -0.924 1.00 0.00 C ATOM 274 CG LYS A 18 10.067 24.344 -1.502 1.00 0.00 C ATOM 275 CD LYS A 18 11.568 24.469 -1.297 1.00 0.00 C ATOM 276 CE LYS A 18 12.332 23.462 -2.143 1.00 0.00 C ATOM 277 NZ LYS A 18 13.789 23.474 -1.838 1.00 0.00 N ATOM 0 H LYS A 18 8.380 24.054 0.836 1.00 0.00 H new ATOM 0 HA LYS A 18 10.655 25.804 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.255 25.398 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.615 26.433 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.710 23.428 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.850 24.261 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.888 25.479 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.806 24.317 -0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.932 22.463 -1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.180 23.685 -3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.274 22.774 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.176 24.420 -2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.936 23.236 -0.836 1.00 0.00 H new ATOM 291 N ARG A 19 9.707 28.155 0.878 1.00 0.00 N ATOM 292 CA ARG A 19 9.225 29.474 1.269 1.00 0.00 C ATOM 293 C ARG A 19 8.648 30.221 0.070 1.00 0.00 C ATOM 294 O ARG A 19 8.730 31.446 -0.009 1.00 0.00 O ATOM 295 CB ARG A 19 10.358 30.290 1.894 1.00 0.00 C ATOM 296 CG ARG A 19 11.006 29.615 3.092 1.00 0.00 C ATOM 297 CD ARG A 19 10.106 29.670 4.316 1.00 0.00 C ATOM 298 NE ARG A 19 10.151 30.975 4.971 1.00 0.00 N ATOM 299 CZ ARG A 19 9.659 31.207 6.182 1.00 0.00 C ATOM 300 NH1 ARG A 19 9.088 30.227 6.868 1.00 0.00 N ATOM 301 NH2 ARG A 19 9.738 32.421 6.710 1.00 0.00 N ATOM 0 H ARG A 19 10.653 28.147 0.497 1.00 0.00 H new ATOM 0 HA ARG A 19 8.433 29.339 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.120 30.477 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.969 31.261 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.229 28.576 2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.956 30.101 3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.080 29.447 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.409 28.899 5.024 1.00 0.00 H new ATOM 0 HE ARG A 19 10.584 31.751 4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.026 29.292 6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.711 30.408 7.798 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.177 33.178 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.360 32.598 7.641 1.00 0.00 H new ATOM 315 N TRP A 20 8.066 29.473 -0.861 1.00 0.00 N ATOM 316 CA TRP A 20 7.475 30.064 -2.056 1.00 0.00 C ATOM 317 C TRP A 20 5.953 30.072 -1.965 1.00 0.00 C ATOM 318 O TRP A 20 5.372 29.427 -1.093 1.00 0.00 O ATOM 319 CB TRP A 20 7.920 29.297 -3.303 1.00 0.00 C ATOM 320 CG TRP A 20 9.214 29.793 -3.875 1.00 0.00 C ATOM 321 CD1 TRP A 20 9.374 30.567 -4.989 1.00 0.00 C ATOM 322 CD2 TRP A 20 10.528 29.547 -3.362 1.00 0.00 C ATOM 323 NE1 TRP A 20 10.709 30.817 -5.200 1.00 0.00 N ATOM 324 CE2 TRP A 20 11.437 30.203 -4.215 1.00 0.00 C ATOM 325 CE3 TRP A 20 11.025 28.839 -2.265 1.00 0.00 C ATOM 326 CZ2 TRP A 20 12.813 30.169 -4.004 1.00 0.00 C ATOM 327 CZ3 TRP A 20 12.390 28.806 -2.057 1.00 0.00 C ATOM 328 CH2 TRP A 20 13.272 29.468 -2.922 1.00 0.00 C ATOM 0 H TRP A 20 7.991 28.457 -0.811 1.00 0.00 H new ATOM 0 HA TRP A 20 7.821 31.095 -2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 20 8.022 28.241 -3.054 1.00 0.00 H new ATOM 0 HB3 TRP A 20 7.143 29.371 -4.063 1.00 0.00 H new ATOM 0 HD1 TRP A 20 8.570 30.929 -5.612 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.095 31.370 -5.965 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.354 28.327 -1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.494 30.678 -4.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.785 28.260 -1.213 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.334 29.424 -2.731 1.00 0.00 H new ATOM 339 N SER A 21 5.314 30.805 -2.871 1.00 0.00 N ATOM 340 CA SER A 21 3.859 30.898 -2.891 1.00 0.00 C ATOM 341 C SER A 21 3.229 29.514 -3.017 1.00 0.00 C ATOM 342 O SER A 21 3.868 28.566 -3.474 1.00 0.00 O ATOM 343 CB SER A 21 3.399 31.787 -4.047 1.00 0.00 C ATOM 344 OG SER A 21 3.868 31.292 -5.289 1.00 0.00 O ATOM 0 H SER A 21 5.781 31.343 -3.601 1.00 0.00 H new ATOM 0 HA SER A 21 3.535 31.342 -1.950 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.310 31.838 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.764 32.803 -3.896 1.00 0.00 H new ATOM 0 HG SER A 21 3.559 31.877 -6.012 1.00 0.00 H new ATOM 350 N THR A 22 1.968 29.405 -2.608 1.00 0.00 N ATOM 351 CA THR A 22 1.250 28.139 -2.674 1.00 0.00 C ATOM 352 C THR A 22 1.331 27.533 -4.070 1.00 0.00 C ATOM 353 O THR A 22 1.508 26.325 -4.223 1.00 0.00 O ATOM 354 CB THR A 22 -0.231 28.312 -2.287 1.00 0.00 C ATOM 355 OG1 THR A 22 -0.940 27.086 -2.499 1.00 0.00 O ATOM 356 CG2 THR A 22 -0.876 29.424 -3.100 1.00 0.00 C ATOM 0 H THR A 22 1.424 30.179 -2.228 1.00 0.00 H new ATOM 0 HA THR A 22 1.728 27.467 -1.961 1.00 0.00 H new ATOM 0 HB THR A 22 -0.279 28.580 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.880 27.204 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.921 29.528 -2.809 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.353 30.362 -2.913 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.817 29.180 -4.161 1.00 0.00 H new ATOM 364 N GLU A 23 1.201 28.380 -5.086 1.00 0.00 N ATOM 365 CA GLU A 23 1.261 27.927 -6.471 1.00 0.00 C ATOM 366 C GLU A 23 2.543 27.141 -6.731 1.00 0.00 C ATOM 367 O GLU A 23 2.517 26.078 -7.350 1.00 0.00 O ATOM 368 CB GLU A 23 1.178 29.119 -7.426 1.00 0.00 C ATOM 369 CG GLU A 23 -0.185 29.791 -7.444 1.00 0.00 C ATOM 370 CD GLU A 23 -1.209 29.013 -8.246 1.00 0.00 C ATOM 371 OE1 GLU A 23 -0.842 27.963 -8.815 1.00 0.00 O ATOM 372 OE2 GLU A 23 -2.376 29.453 -8.307 1.00 0.00 O ATOM 0 H GLU A 23 1.053 29.383 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 23 0.410 27.270 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.932 29.853 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.422 28.784 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.542 29.907 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.086 30.793 -7.862 1.00 0.00 H new ATOM 379 N MET A 24 3.663 27.673 -6.253 1.00 0.00 N ATOM 380 CA MET A 24 4.956 27.023 -6.434 1.00 0.00 C ATOM 381 C MET A 24 5.002 25.689 -5.696 1.00 0.00 C ATOM 382 O MET A 24 5.500 24.694 -6.222 1.00 0.00 O ATOM 383 CB MET A 24 6.082 27.932 -5.939 1.00 0.00 C ATOM 384 CG MET A 24 6.640 28.850 -7.016 1.00 0.00 C ATOM 385 SD MET A 24 7.996 28.098 -7.935 1.00 0.00 S ATOM 386 CE MET A 24 7.566 28.560 -9.611 1.00 0.00 C ATOM 0 H MET A 24 3.701 28.552 -5.737 1.00 0.00 H new ATOM 0 HA MET A 24 5.093 26.834 -7.499 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.712 28.538 -5.112 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.889 27.315 -5.545 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.842 29.119 -7.708 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.987 29.775 -6.555 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.313 28.166 -10.300 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.588 28.149 -9.862 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.534 29.647 -9.692 1.00 0.00 H new ATOM 396 N VAL A 25 4.480 25.676 -4.473 1.00 0.00 N ATOM 397 CA VAL A 25 4.460 24.464 -3.663 1.00 0.00 C ATOM 398 C VAL A 25 3.670 23.356 -4.351 1.00 0.00 C ATOM 399 O VAL A 25 4.131 22.219 -4.451 1.00 0.00 O ATOM 400 CB VAL A 25 3.850 24.727 -2.274 1.00 0.00 C ATOM 401 CG1 VAL A 25 3.916 23.473 -1.415 1.00 0.00 C ATOM 402 CG2 VAL A 25 4.560 25.887 -1.592 1.00 0.00 C ATOM 0 H VAL A 25 4.065 26.491 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 25 5.496 24.147 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 25 2.802 24.996 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.480 23.678 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.359 22.671 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.956 23.170 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.116 26.059 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.617 25.648 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.456 26.786 -2.200 1.00 0.00 H new ATOM 412 N HIS A 26 2.475 23.696 -4.826 1.00 0.00 N ATOM 413 CA HIS A 26 1.621 22.731 -5.508 1.00 0.00 C ATOM 414 C HIS A 26 2.298 22.202 -6.768 1.00 0.00 C ATOM 415 O HIS A 26 2.286 20.999 -7.033 1.00 0.00 O ATOM 416 CB HIS A 26 0.279 23.370 -5.867 1.00 0.00 C ATOM 417 CG HIS A 26 -0.883 22.433 -5.744 1.00 0.00 C ATOM 418 ND1 HIS A 26 -1.901 22.371 -6.671 1.00 0.00 N ATOM 419 CD2 HIS A 26 -1.184 21.515 -4.795 1.00 0.00 C ATOM 420 CE1 HIS A 26 -2.779 21.457 -6.298 1.00 0.00 C ATOM 421 NE2 HIS A 26 -2.366 20.923 -5.162 1.00 0.00 N ATOM 0 H HIS A 26 2.077 24.632 -4.751 1.00 0.00 H new ATOM 0 HA HIS A 26 1.447 21.895 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.111 24.231 -5.220 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.326 23.745 -6.890 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.602 21.291 -3.913 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.680 21.192 -6.831 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.848 20.190 -4.642 1.00 0.00 H new ATOM 429 N ARG A 27 2.887 23.107 -7.543 1.00 0.00 N ATOM 430 CA ARG A 27 3.568 22.731 -8.776 1.00 0.00 C ATOM 431 C ARG A 27 4.742 21.800 -8.487 1.00 0.00 C ATOM 432 O ARG A 27 4.971 20.829 -9.209 1.00 0.00 O ATOM 433 CB ARG A 27 4.062 23.978 -9.511 1.00 0.00 C ATOM 434 CG ARG A 27 4.979 23.670 -10.684 1.00 0.00 C ATOM 435 CD ARG A 27 5.494 24.943 -11.338 1.00 0.00 C ATOM 436 NE ARG A 27 4.618 25.399 -12.414 1.00 0.00 N ATOM 437 CZ ARG A 27 4.465 24.749 -13.562 1.00 0.00 C ATOM 438 NH1 ARG A 27 5.126 23.621 -13.782 1.00 0.00 N ATOM 439 NH2 ARG A 27 3.649 25.227 -14.493 1.00 0.00 N ATOM 0 H ARG A 27 2.906 24.106 -7.339 1.00 0.00 H new ATOM 0 HA ARG A 27 2.855 22.203 -9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.202 24.542 -9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.591 24.620 -8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.821 23.070 -10.341 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.441 23.073 -11.421 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.582 25.727 -10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.494 24.768 -11.735 1.00 0.00 H new ATOM 0 HE ARG A 27 4.095 26.264 -12.276 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.754 23.250 -13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.007 23.124 -14.665 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.139 26.094 -14.327 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.532 24.727 -15.374 1.00 0.00 H new ATOM 453 N CYS A 28 5.483 22.102 -7.426 1.00 0.00 N ATOM 454 CA CYS A 28 6.632 21.292 -7.039 1.00 0.00 C ATOM 455 C CYS A 28 6.204 19.867 -6.701 1.00 0.00 C ATOM 456 O CYS A 28 6.736 18.903 -7.249 1.00 0.00 O ATOM 457 CB CYS A 28 7.345 21.921 -5.840 1.00 0.00 C ATOM 458 SG CYS A 28 8.901 21.092 -5.382 1.00 0.00 S ATOM 0 H CYS A 28 5.308 22.902 -6.818 1.00 0.00 H new ATOM 0 HA CYS A 28 7.320 21.255 -7.884 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.555 22.967 -6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.672 21.907 -4.982 1.00 0.00 H new ATOM 463 N GLU A 29 5.239 19.744 -5.794 1.00 0.00 N ATOM 464 CA GLU A 29 4.742 18.437 -5.381 1.00 0.00 C ATOM 465 C GLU A 29 4.351 17.596 -6.593 1.00 0.00 C ATOM 466 O GLU A 29 4.827 16.473 -6.763 1.00 0.00 O ATOM 467 CB GLU A 29 3.541 18.596 -4.447 1.00 0.00 C ATOM 468 CG GLU A 29 3.890 19.220 -3.106 1.00 0.00 C ATOM 469 CD GLU A 29 2.738 19.171 -2.122 1.00 0.00 C ATOM 470 OE1 GLU A 29 2.104 18.102 -2.002 1.00 0.00 O ATOM 471 OE2 GLU A 29 2.470 20.203 -1.471 1.00 0.00 O ATOM 0 H GLU A 29 4.787 20.533 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 29 5.542 17.924 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.788 19.211 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.092 17.617 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.749 18.701 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.188 20.257 -3.259 1.00 0.00 H new ATOM 478 N LYS A 30 3.481 18.147 -7.432 1.00 0.00 N ATOM 479 CA LYS A 30 3.026 17.450 -8.629 1.00 0.00 C ATOM 480 C LYS A 30 4.206 17.057 -9.512 1.00 0.00 C ATOM 481 O LYS A 30 4.313 15.912 -9.951 1.00 0.00 O ATOM 482 CB LYS A 30 2.056 18.332 -9.419 1.00 0.00 C ATOM 483 CG LYS A 30 0.664 18.397 -8.815 1.00 0.00 C ATOM 484 CD LYS A 30 -0.142 19.548 -9.393 1.00 0.00 C ATOM 485 CE LYS A 30 -0.740 19.186 -10.744 1.00 0.00 C ATOM 486 NZ LYS A 30 -1.389 20.358 -11.395 1.00 0.00 N ATOM 0 H LYS A 30 3.077 19.075 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 30 2.511 16.542 -8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.464 19.341 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.983 17.955 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.142 17.458 -8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.741 18.512 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.940 19.818 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.498 20.424 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.043 18.796 -11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.473 18.390 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.784 20.070 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.153 20.715 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.684 21.108 -11.541 1.00 0.00 H new ATOM 500 N LYS A 31 5.092 18.014 -9.768 1.00 0.00 N ATOM 501 CA LYS A 31 6.266 17.769 -10.597 1.00 0.00 C ATOM 502 C LYS A 31 7.030 16.542 -10.109 1.00 0.00 C ATOM 503 O LYS A 31 7.508 15.737 -10.909 1.00 0.00 O ATOM 504 CB LYS A 31 7.186 18.992 -10.590 1.00 0.00 C ATOM 505 CG LYS A 31 6.871 19.996 -11.684 1.00 0.00 C ATOM 506 CD LYS A 31 7.984 21.019 -11.839 1.00 0.00 C ATOM 507 CE LYS A 31 9.131 20.472 -12.674 1.00 0.00 C ATOM 508 NZ LYS A 31 10.056 21.551 -13.120 1.00 0.00 N ATOM 0 H LYS A 31 5.019 18.967 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 31 5.927 17.583 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.111 19.487 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.218 18.660 -10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.723 19.472 -12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.936 20.506 -11.453 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.589 21.920 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.354 21.308 -10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.685 19.736 -12.092 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.731 19.953 -13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.824 21.138 -13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.533 22.240 -13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.458 22.030 -12.289 1.00 0.00 H new ATOM 522 N CYS A 32 7.139 16.404 -8.792 1.00 0.00 N ATOM 523 CA CYS A 32 7.842 15.274 -8.197 1.00 0.00 C ATOM 524 C CYS A 32 7.118 13.964 -8.495 1.00 0.00 C ATOM 525 O CYS A 32 7.740 12.973 -8.875 1.00 0.00 O ATOM 526 CB CYS A 32 7.971 15.466 -6.684 1.00 0.00 C ATOM 527 SG CYS A 32 9.231 16.686 -6.194 1.00 0.00 S ATOM 0 H CYS A 32 6.749 17.061 -8.116 1.00 0.00 H new ATOM 0 HA CYS A 32 8.838 15.226 -8.637 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.006 15.776 -6.284 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.212 14.507 -6.226 1.00 0.00 H new ATOM 532 N GLU A 33 5.801 13.970 -8.320 1.00 0.00 N ATOM 533 CA GLU A 33 4.992 12.782 -8.570 1.00 0.00 C ATOM 534 C GLU A 33 4.980 12.436 -10.056 1.00 0.00 C ATOM 535 O GLU A 33 4.853 11.271 -10.431 1.00 0.00 O ATOM 536 CB GLU A 33 3.561 12.998 -8.074 1.00 0.00 C ATOM 537 CG GLU A 33 2.572 13.309 -9.184 1.00 0.00 C ATOM 538 CD GLU A 33 1.247 13.824 -8.658 1.00 0.00 C ATOM 539 OE1 GLU A 33 1.216 14.323 -7.513 1.00 0.00 O ATOM 540 OE2 GLU A 33 0.241 13.730 -9.391 1.00 0.00 O ATOM 0 H GLU A 33 5.271 14.783 -8.006 1.00 0.00 H new ATOM 0 HA GLU A 33 5.436 11.950 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.230 12.105 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.555 13.816 -7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.006 14.051 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.399 12.409 -9.774 1.00 0.00 H new ATOM 547 N GLU A 34 5.113 13.457 -10.897 1.00 0.00 N ATOM 548 CA GLU A 34 5.115 13.260 -12.342 1.00 0.00 C ATOM 549 C GLU A 34 6.442 12.670 -12.809 1.00 0.00 C ATOM 550 O GLU A 34 6.472 11.678 -13.538 1.00 0.00 O ATOM 551 CB GLU A 34 4.853 14.586 -13.060 1.00 0.00 C ATOM 552 CG GLU A 34 3.495 15.191 -12.744 1.00 0.00 C ATOM 553 CD GLU A 34 2.433 14.800 -13.753 1.00 0.00 C ATOM 554 OE1 GLU A 34 1.961 13.646 -13.699 1.00 0.00 O ATOM 555 OE2 GLU A 34 2.075 15.648 -14.597 1.00 0.00 O ATOM 0 H GLU A 34 5.221 14.428 -10.603 1.00 0.00 H new ATOM 0 HA GLU A 34 4.318 12.558 -12.588 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.631 15.298 -12.786 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.930 14.428 -14.136 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.182 14.872 -11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.583 16.277 -12.717 1.00 0.00 H new ATOM 562 N LYS A 35 7.539 13.287 -12.384 1.00 0.00 N ATOM 563 CA LYS A 35 8.871 12.825 -12.756 1.00 0.00 C ATOM 564 C LYS A 35 9.152 11.445 -12.168 1.00 0.00 C ATOM 565 O LYS A 35 10.091 10.764 -12.579 1.00 0.00 O ATOM 566 CB LYS A 35 9.931 13.820 -12.278 1.00 0.00 C ATOM 567 CG LYS A 35 10.815 14.349 -13.394 1.00 0.00 C ATOM 568 CD LYS A 35 11.960 15.186 -12.849 1.00 0.00 C ATOM 569 CE LYS A 35 13.052 14.314 -12.249 1.00 0.00 C ATOM 570 NZ LYS A 35 14.025 13.855 -13.279 1.00 0.00 N ATOM 0 H LYS A 35 7.532 14.109 -11.781 1.00 0.00 H new ATOM 0 HA LYS A 35 8.913 12.753 -13.843 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.436 14.659 -11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.557 13.338 -11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.215 13.514 -13.969 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.217 14.950 -14.079 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.379 15.796 -13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.582 15.871 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.579 14.873 -11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.600 13.448 -11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.753 13.264 -12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.527 13.300 -14.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.475 14.680 -13.723 1.00 0.00 H new ATOM 584 N PHE A 36 8.331 11.040 -11.205 1.00 0.00 N ATOM 585 CA PHE A 36 8.490 9.740 -10.562 1.00 0.00 C ATOM 586 C PHE A 36 8.018 8.617 -11.480 1.00 0.00 C ATOM 587 O PHE A 36 8.519 7.496 -11.414 1.00 0.00 O ATOM 588 CB PHE A 36 7.710 9.700 -9.246 1.00 0.00 C ATOM 589 CG PHE A 36 8.489 9.110 -8.105 1.00 0.00 C ATOM 590 CD1 PHE A 36 8.498 7.741 -7.890 1.00 0.00 C ATOM 591 CD2 PHE A 36 9.212 9.924 -7.248 1.00 0.00 C ATOM 592 CE1 PHE A 36 9.214 7.195 -6.841 1.00 0.00 C ATOM 593 CE2 PHE A 36 9.930 9.383 -6.199 1.00 0.00 C ATOM 594 CZ PHE A 36 9.930 8.017 -5.994 1.00 0.00 C ATOM 0 H PHE A 36 7.549 11.592 -10.853 1.00 0.00 H new ATOM 0 HA PHE A 36 9.550 9.593 -10.354 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.406 10.713 -8.982 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.798 9.121 -9.391 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.939 7.093 -8.549 1.00 0.00 H new ATOM 0 HD2 PHE A 36 9.214 10.993 -7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.213 6.126 -6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 36 10.491 10.028 -5.539 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.489 7.593 -5.173 1.00 0.00 H new