USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=7 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 K(o=0,f=-0.89) USER MOD Single : A 6 GLN : amide:sc= -1.03 X(o=-1,f=-0.84) USER MOD Single : A 12 GLN :FLIP amide:sc= -1.1 F(o=-2.3,f=-1.1) USER MOD Single : A 13 ASN : amide:sc= -2 K(o=-2,f=-3.7) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -0.0503 (180deg=-0.303) 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 -154:sc= 0 (180deg=-0.614) USER MOD Single : A 26 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= -0.0861 (180deg=-0.502) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0174 (180deg=-0.184) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N GLN A 5 7.440 4.287 -1.972 1.00 0.00 N ATOM 64 CA GLN A 5 6.650 5.506 -1.842 1.00 0.00 C ATOM 65 C GLN A 5 7.198 6.393 -0.729 1.00 0.00 C ATOM 66 O GLN A 5 6.910 7.589 -0.678 1.00 0.00 O ATOM 67 CB GLN A 5 5.186 5.162 -1.562 1.00 0.00 C ATOM 68 CG GLN A 5 4.955 4.560 -0.186 1.00 0.00 C ATOM 69 CD GLN A 5 3.563 3.981 -0.029 1.00 0.00 C ATOM 70 OE1 GLN A 5 2.705 4.152 -0.896 1.00 0.00 O ATOM 71 NE2 GLN A 5 3.330 3.291 1.082 1.00 0.00 N ATOM 0 HA GLN A 5 6.714 6.053 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.584 6.065 -1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.835 4.461 -2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.692 3.777 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.113 5.326 0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.070 3.174 1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.411 2.878 1.243 1.00 0.00 H new ATOM 80 N GLN A 6 7.988 5.800 0.160 1.00 0.00 N ATOM 81 CA GLN A 6 8.574 6.537 1.273 1.00 0.00 C ATOM 82 C GLN A 6 9.358 7.746 0.773 1.00 0.00 C ATOM 83 O GLN A 6 9.506 8.739 1.484 1.00 0.00 O ATOM 84 CB GLN A 6 9.488 5.624 2.092 1.00 0.00 C ATOM 85 CG GLN A 6 8.735 4.636 2.967 1.00 0.00 C ATOM 86 CD GLN A 6 8.123 3.500 2.171 1.00 0.00 C ATOM 87 OE1 GLN A 6 8.824 2.771 1.468 1.00 0.00 O ATOM 88 NE2 GLN A 6 6.809 3.343 2.277 1.00 0.00 N ATOM 0 H GLN A 6 8.237 4.811 0.131 1.00 0.00 H new ATOM 0 HA GLN A 6 7.762 6.891 1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.139 5.073 1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.131 6.238 2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.415 4.226 3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.948 5.162 3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.267 3.970 2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.342 2.595 1.764 1.00 0.00 H new ATOM 97 N GLU A 7 9.860 7.653 -0.455 1.00 0.00 N ATOM 98 CA GLU A 7 10.629 8.739 -1.050 1.00 0.00 C ATOM 99 C GLU A 7 9.723 9.912 -1.414 1.00 0.00 C ATOM 100 O GLU A 7 10.108 11.074 -1.281 1.00 0.00 O ATOM 101 CB GLU A 7 11.370 8.248 -2.295 1.00 0.00 C ATOM 102 CG GLU A 7 12.877 8.175 -2.117 1.00 0.00 C ATOM 103 CD GLU A 7 13.488 9.515 -1.756 1.00 0.00 C ATOM 104 OE1 GLU A 7 12.828 10.549 -1.991 1.00 0.00 O ATOM 105 OE2 GLU A 7 14.624 9.530 -1.240 1.00 0.00 O ATOM 0 H GLU A 7 9.748 6.837 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 7 11.357 9.079 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.996 7.260 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.143 8.913 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.112 7.451 -1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.331 7.810 -3.038 1.00 0.00 H new ATOM 112 N LEU A 8 8.517 9.599 -1.875 1.00 0.00 N ATOM 113 CA LEU A 8 7.553 10.625 -2.258 1.00 0.00 C ATOM 114 C LEU A 8 7.274 11.571 -1.094 1.00 0.00 C ATOM 115 O LEU A 8 7.303 12.790 -1.253 1.00 0.00 O ATOM 116 CB LEU A 8 6.250 9.979 -2.729 1.00 0.00 C ATOM 117 CG LEU A 8 5.169 10.937 -3.231 1.00 0.00 C ATOM 118 CD1 LEU A 8 5.620 11.631 -4.506 1.00 0.00 C ATOM 119 CD2 LEU A 8 3.861 10.192 -3.461 1.00 0.00 C ATOM 0 H LEU A 8 8.183 8.642 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 8 7.981 11.203 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.485 9.276 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.837 9.397 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 8 5.002 11.697 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.838 12.309 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.530 12.198 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.816 10.885 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.103 10.889 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.014 9.410 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.529 9.743 -2.525 1.00 0.00 H new ATOM 131 N GLU A 9 7.005 10.998 0.075 1.00 0.00 N ATOM 132 CA GLU A 9 6.723 11.791 1.266 1.00 0.00 C ATOM 133 C GLU A 9 7.813 12.834 1.496 1.00 0.00 C ATOM 134 O GLU A 9 7.528 13.974 1.861 1.00 0.00 O ATOM 135 CB GLU A 9 6.602 10.884 2.493 1.00 0.00 C ATOM 136 CG GLU A 9 5.298 10.106 2.548 1.00 0.00 C ATOM 137 CD GLU A 9 4.197 10.862 3.265 1.00 0.00 C ATOM 138 OE1 GLU A 9 4.212 10.888 4.514 1.00 0.00 O ATOM 139 OE2 GLU A 9 3.321 11.428 2.578 1.00 0.00 O ATOM 0 H GLU A 9 6.976 9.989 0.223 1.00 0.00 H new ATOM 0 HA GLU A 9 5.776 12.308 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.435 10.181 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.691 11.491 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.974 9.876 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.468 9.155 3.052 1.00 0.00 H new ATOM 146 N GLU A 10 9.062 12.433 1.282 1.00 0.00 N ATOM 147 CA GLU A 10 10.195 13.332 1.468 1.00 0.00 C ATOM 148 C GLU A 10 10.166 14.464 0.445 1.00 0.00 C ATOM 149 O GLU A 10 10.423 15.622 0.776 1.00 0.00 O ATOM 150 CB GLU A 10 11.511 12.560 1.354 1.00 0.00 C ATOM 151 CG GLU A 10 11.590 11.351 2.271 1.00 0.00 C ATOM 152 CD GLU A 10 11.731 11.735 3.731 1.00 0.00 C ATOM 153 OE1 GLU A 10 12.455 12.711 4.020 1.00 0.00 O ATOM 154 OE2 GLU A 10 11.118 11.059 4.584 1.00 0.00 O ATOM 0 H GLU A 10 9.315 11.492 0.980 1.00 0.00 H new ATOM 0 HA GLU A 10 10.122 13.766 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.642 12.232 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.338 13.233 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.694 10.744 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.438 10.732 1.978 1.00 0.00 H new ATOM 161 N CYS A 11 9.850 14.120 -0.799 1.00 0.00 N ATOM 162 CA CYS A 11 9.786 15.106 -1.872 1.00 0.00 C ATOM 163 C CYS A 11 8.734 16.170 -1.570 1.00 0.00 C ATOM 164 O CYS A 11 9.029 17.364 -1.571 1.00 0.00 O ATOM 165 CB CYS A 11 9.468 14.422 -3.203 1.00 0.00 C ATOM 166 SG CYS A 11 10.059 15.331 -4.666 1.00 0.00 S ATOM 0 H CYS A 11 9.634 13.166 -1.089 1.00 0.00 H new ATOM 0 HA CYS A 11 10.759 15.592 -1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.912 13.427 -3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.389 14.289 -3.282 1.00 0.00 H new ATOM 171 N GLN A 12 7.508 15.726 -1.313 1.00 0.00 N ATOM 172 CA GLN A 12 6.413 16.640 -1.009 1.00 0.00 C ATOM 173 C GLN A 12 6.694 17.419 0.271 1.00 0.00 C ATOM 174 O GLN A 12 6.456 18.624 0.340 1.00 0.00 O ATOM 175 CB GLN A 12 5.100 15.868 -0.872 1.00 0.00 C ATOM 176 CG GLN A 12 4.755 15.032 -2.095 1.00 0.00 C ATOM 177 CD GLN A 12 3.276 14.712 -2.184 1.00 0.00 C ATOM 178 OE1 GLN A 12 2.687 14.955 -3.349 1.00 0.00 O flip ATOM 179 NE2 GLN A 12 2.668 14.252 -1.217 1.00 0.00 N flip ATOM 0 H GLN A 12 7.248 14.740 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 12 6.326 17.349 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.161 15.215 -0.001 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.291 16.574 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.062 15.566 -2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.323 14.102 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.160 14.080 -0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.673 14.043 -1.293 1.00 0.00 H new ATOM 188 N ASN A 13 7.201 16.723 1.283 1.00 0.00 N ATOM 189 CA ASN A 13 7.513 17.350 2.562 1.00 0.00 C ATOM 190 C ASN A 13 8.406 18.571 2.366 1.00 0.00 C ATOM 191 O ASN A 13 8.198 19.613 2.989 1.00 0.00 O ATOM 192 CB ASN A 13 8.197 16.347 3.492 1.00 0.00 C ATOM 193 CG ASN A 13 7.205 15.452 4.209 1.00 0.00 C ATOM 194 OD1 ASN A 13 6.102 15.211 3.717 1.00 0.00 O ATOM 195 ND2 ASN A 13 7.593 14.955 5.378 1.00 0.00 N ATOM 0 H ASN A 13 7.405 15.724 1.242 1.00 0.00 H new ATOM 0 HA ASN A 13 6.577 17.676 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.886 15.731 2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.793 16.886 4.228 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.968 14.347 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.516 15.182 5.747 1.00 0.00 H new ATOM 202 N VAL A 14 9.402 18.435 1.496 1.00 0.00 N ATOM 203 CA VAL A 14 10.327 19.528 1.216 1.00 0.00 C ATOM 204 C VAL A 14 9.643 20.635 0.422 1.00 0.00 C ATOM 205 O VAL A 14 9.923 21.818 0.618 1.00 0.00 O ATOM 206 CB VAL A 14 11.558 19.034 0.433 1.00 0.00 C ATOM 207 CG1 VAL A 14 12.503 20.189 0.139 1.00 0.00 C ATOM 208 CG2 VAL A 14 12.271 17.933 1.202 1.00 0.00 C ATOM 0 H VAL A 14 9.589 17.579 0.973 1.00 0.00 H new ATOM 0 HA VAL A 14 10.653 19.923 2.178 1.00 0.00 H new ATOM 0 HB VAL A 14 11.221 18.622 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.367 19.821 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.984 20.941 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.836 20.634 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.138 17.596 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.597 18.317 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.590 17.096 1.355 1.00 0.00 H new ATOM 218 N CYS A 15 8.745 20.244 -0.476 1.00 0.00 N ATOM 219 CA CYS A 15 8.022 21.203 -1.302 1.00 0.00 C ATOM 220 C CYS A 15 7.227 22.177 -0.436 1.00 0.00 C ATOM 221 O CYS A 15 7.192 23.377 -0.705 1.00 0.00 O ATOM 222 CB CYS A 15 7.081 20.473 -2.262 1.00 0.00 C ATOM 223 SG CYS A 15 7.934 19.484 -3.531 1.00 0.00 S ATOM 0 H CYS A 15 8.501 19.269 -0.650 1.00 0.00 H new ATOM 0 HA CYS A 15 8.752 21.770 -1.880 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.427 19.819 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.443 21.206 -2.756 1.00 0.00 H new ATOM 228 N ARG A 16 6.591 21.650 0.605 1.00 0.00 N ATOM 229 CA ARG A 16 5.796 22.471 1.511 1.00 0.00 C ATOM 230 C ARG A 16 6.690 23.397 2.330 1.00 0.00 C ATOM 231 O ARG A 16 6.208 24.321 2.985 1.00 0.00 O ATOM 232 CB ARG A 16 4.969 21.585 2.444 1.00 0.00 C ATOM 233 CG ARG A 16 4.128 20.550 1.715 1.00 0.00 C ATOM 234 CD ARG A 16 3.493 19.566 2.684 1.00 0.00 C ATOM 235 NE ARG A 16 4.488 18.905 3.524 1.00 0.00 N ATOM 236 CZ ARG A 16 4.188 17.979 4.428 1.00 0.00 C ATOM 237 NH1 ARG A 16 2.928 17.607 4.608 1.00 0.00 N ATOM 238 NH2 ARG A 16 5.150 17.424 5.154 1.00 0.00 N ATOM 0 H ARG A 16 6.611 20.658 0.842 1.00 0.00 H new ATOM 0 HA ARG A 16 5.122 23.082 0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.640 21.074 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.313 22.216 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.349 21.052 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.751 20.010 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.776 20.091 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.935 18.815 2.124 1.00 0.00 H new ATOM 0 HE ARG A 16 5.467 19.169 3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.186 18.032 4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.701 16.896 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.120 17.708 5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.919 16.713 5.848 1.00 0.00 H new ATOM 252 N MET A 17 7.994 23.142 2.289 1.00 0.00 N ATOM 253 CA MET A 17 8.954 23.954 3.027 1.00 0.00 C ATOM 254 C MET A 17 9.486 25.090 2.160 1.00 0.00 C ATOM 255 O MET A 17 10.303 25.896 2.606 1.00 0.00 O ATOM 256 CB MET A 17 10.115 23.087 3.520 1.00 0.00 C ATOM 257 CG MET A 17 9.973 22.648 4.968 1.00 0.00 C ATOM 258 SD MET A 17 11.214 23.393 6.044 1.00 0.00 S ATOM 259 CE MET A 17 10.388 23.298 7.630 1.00 0.00 C ATOM 0 H MET A 17 8.409 22.380 1.753 1.00 0.00 H new ATOM 0 HA MET A 17 8.441 24.386 3.886 1.00 0.00 H new ATOM 0 HB2 MET A 17 10.192 22.203 2.887 1.00 0.00 H new ATOM 0 HB3 MET A 17 11.046 23.642 3.407 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.979 22.913 5.328 1.00 0.00 H new ATOM 0 HG3 MET A 17 10.053 21.562 5.024 1.00 0.00 H new ATOM 0 HE1 MET A 17 11.031 23.721 8.401 1.00 0.00 H new ATOM 0 HE2 MET A 17 9.454 23.859 7.588 1.00 0.00 H new ATOM 0 HE3 MET A 17 10.175 22.256 7.867 1.00 0.00 H new ATOM 269 N LYS A 18 9.018 25.149 0.918 1.00 0.00 N ATOM 270 CA LYS A 18 9.445 26.187 -0.013 1.00 0.00 C ATOM 271 C LYS A 18 8.802 27.526 0.332 1.00 0.00 C ATOM 272 O LYS A 18 7.577 27.649 0.356 1.00 0.00 O ATOM 273 CB LYS A 18 9.089 25.792 -1.448 1.00 0.00 C ATOM 274 CG LYS A 18 9.752 24.505 -1.908 1.00 0.00 C ATOM 275 CD LYS A 18 11.261 24.567 -1.743 1.00 0.00 C ATOM 276 CE LYS A 18 11.866 25.697 -2.562 1.00 0.00 C ATOM 277 NZ LYS A 18 11.446 25.635 -3.989 1.00 0.00 N ATOM 0 H LYS A 18 8.342 24.489 0.532 1.00 0.00 H new ATOM 0 HA LYS A 18 10.527 26.292 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.007 25.682 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.378 26.600 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.356 23.666 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.506 24.322 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.507 24.707 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.701 23.618 -2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.566 26.655 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.953 25.648 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.040 26.275 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.553 24.662 -4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.451 25.925 -4.071 1.00 0.00 H new ATOM 291 N ARG A 19 9.635 28.527 0.596 1.00 0.00 N ATOM 292 CA ARG A 19 9.147 29.857 0.940 1.00 0.00 C ATOM 293 C ARG A 19 8.986 30.718 -0.309 1.00 0.00 C ATOM 294 O ARG A 19 9.412 31.872 -0.339 1.00 0.00 O ATOM 295 CB ARG A 19 10.104 30.537 1.921 1.00 0.00 C ATOM 296 CG ARG A 19 11.508 30.727 1.368 1.00 0.00 C ATOM 297 CD ARG A 19 12.470 31.203 2.445 1.00 0.00 C ATOM 298 NE ARG A 19 12.949 30.102 3.276 1.00 0.00 N ATOM 299 CZ ARG A 19 13.793 30.259 4.290 1.00 0.00 C ATOM 300 NH1 ARG A 19 14.248 31.466 4.597 1.00 0.00 N ATOM 301 NH2 ARG A 19 14.183 29.208 5.000 1.00 0.00 N ATOM 0 H ARG A 19 10.651 28.442 0.578 1.00 0.00 H new ATOM 0 HA ARG A 19 8.171 29.747 1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.697 31.509 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.159 29.943 2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.866 29.787 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.485 31.451 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.320 31.701 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.974 31.942 3.074 1.00 0.00 H new ATOM 0 HE ARG A 19 12.617 29.160 3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.950 32.277 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.896 31.584 5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.835 28.278 4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.831 29.330 5.778 1.00 0.00 H new ATOM 315 N TRP A 20 8.368 30.148 -1.338 1.00 0.00 N ATOM 316 CA TRP A 20 8.151 30.863 -2.590 1.00 0.00 C ATOM 317 C TRP A 20 6.695 31.294 -2.725 1.00 0.00 C ATOM 318 O TRP A 20 6.390 32.487 -2.749 1.00 0.00 O ATOM 319 CB TRP A 20 8.548 29.985 -3.778 1.00 0.00 C ATOM 320 CG TRP A 20 10.029 29.914 -3.996 1.00 0.00 C ATOM 321 CD1 TRP A 20 10.970 29.496 -3.099 1.00 0.00 C ATOM 322 CD2 TRP A 20 10.739 30.274 -5.186 1.00 0.00 C ATOM 323 NE1 TRP A 20 12.222 29.574 -3.660 1.00 0.00 N ATOM 324 CE2 TRP A 20 12.107 30.048 -4.940 1.00 0.00 C ATOM 325 CE3 TRP A 20 10.351 30.764 -6.436 1.00 0.00 C ATOM 326 CZ2 TRP A 20 13.086 30.296 -5.898 1.00 0.00 C ATOM 327 CZ3 TRP A 20 11.325 31.010 -7.386 1.00 0.00 C ATOM 328 CH2 TRP A 20 12.679 30.775 -7.113 1.00 0.00 C ATOM 0 H TRP A 20 8.009 29.193 -1.330 1.00 0.00 H new ATOM 0 HA TRP A 20 8.776 31.756 -2.583 1.00 0.00 H new ATOM 0 HB2 TRP A 20 8.163 28.978 -3.621 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.073 30.371 -4.680 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.761 29.154 -2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 20 13.095 29.320 -3.198 1.00 0.00 H new ATOM 0 HE3 TRP A 20 9.310 30.947 -6.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 14.130 30.117 -5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.037 31.390 -8.355 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.416 30.976 -7.877 1.00 0.00 H new ATOM 339 N SER A 21 5.798 30.317 -2.814 1.00 0.00 N ATOM 340 CA SER A 21 4.373 30.596 -2.948 1.00 0.00 C ATOM 341 C SER A 21 3.564 29.303 -2.956 1.00 0.00 C ATOM 342 O SER A 21 4.060 28.248 -3.353 1.00 0.00 O ATOM 343 CB SER A 21 4.106 31.386 -4.231 1.00 0.00 C ATOM 344 OG SER A 21 4.608 30.701 -5.366 1.00 0.00 O ATOM 0 H SER A 21 6.033 29.325 -2.796 1.00 0.00 H new ATOM 0 HA SER A 21 4.062 31.192 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.034 31.549 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.572 32.369 -4.160 1.00 0.00 H new ATOM 0 HG SER A 21 4.423 31.226 -6.173 1.00 0.00 H new ATOM 350 N THR A 22 2.314 29.392 -2.514 1.00 0.00 N ATOM 351 CA THR A 22 1.434 28.230 -2.469 1.00 0.00 C ATOM 352 C THR A 22 1.403 27.512 -3.813 1.00 0.00 C ATOM 353 O THR A 22 1.410 26.283 -3.870 1.00 0.00 O ATOM 354 CB THR A 22 -0.002 28.627 -2.078 1.00 0.00 C ATOM 355 OG1 THR A 22 -0.866 27.489 -2.166 1.00 0.00 O ATOM 356 CG2 THR A 22 -0.521 29.736 -2.981 1.00 0.00 C ATOM 0 H THR A 22 1.887 30.257 -2.182 1.00 0.00 H new ATOM 0 HA THR A 22 1.836 27.558 -1.710 1.00 0.00 H new ATOM 0 HB THR A 22 0.012 28.993 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.777 27.749 -1.914 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.537 30.000 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.122 30.611 -2.889 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.521 29.393 -4.016 1.00 0.00 H new ATOM 364 N GLU A 23 1.369 28.287 -4.892 1.00 0.00 N ATOM 365 CA GLU A 23 1.339 27.722 -6.237 1.00 0.00 C ATOM 366 C GLU A 23 2.534 26.803 -6.468 1.00 0.00 C ATOM 367 O GLU A 23 2.393 25.713 -7.022 1.00 0.00 O ATOM 368 CB GLU A 23 1.330 28.839 -7.283 1.00 0.00 C ATOM 369 CG GLU A 23 1.107 28.343 -8.701 1.00 0.00 C ATOM 370 CD GLU A 23 0.580 29.426 -9.622 1.00 0.00 C ATOM 371 OE1 GLU A 23 1.037 30.582 -9.499 1.00 0.00 O ATOM 372 OE2 GLU A 23 -0.288 29.119 -10.465 1.00 0.00 O ATOM 0 H GLU A 23 1.362 29.307 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 23 0.427 27.134 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.548 29.555 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.279 29.374 -7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.046 27.958 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.403 27.511 -8.684 1.00 0.00 H new ATOM 379 N MET A 24 3.710 27.251 -6.040 1.00 0.00 N ATOM 380 CA MET A 24 4.930 26.469 -6.202 1.00 0.00 C ATOM 381 C MET A 24 4.863 25.181 -5.387 1.00 0.00 C ATOM 382 O MET A 24 5.316 24.128 -5.834 1.00 0.00 O ATOM 383 CB MET A 24 6.148 27.292 -5.778 1.00 0.00 C ATOM 384 CG MET A 24 6.602 28.292 -6.829 1.00 0.00 C ATOM 385 SD MET A 24 7.366 27.500 -8.257 1.00 0.00 S ATOM 386 CE MET A 24 8.342 28.852 -8.912 1.00 0.00 C ATOM 0 H MET A 24 3.844 28.151 -5.579 1.00 0.00 H new ATOM 0 HA MET A 24 5.026 26.206 -7.255 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.913 27.826 -4.858 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.972 26.616 -5.552 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.746 28.880 -7.159 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.312 28.987 -6.381 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.494 28.706 -9.981 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.818 29.793 -8.745 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.308 28.880 -8.409 1.00 0.00 H new ATOM 396 N VAL A 25 4.295 25.274 -4.189 1.00 0.00 N ATOM 397 CA VAL A 25 4.166 24.115 -3.312 1.00 0.00 C ATOM 398 C VAL A 25 3.238 23.069 -3.917 1.00 0.00 C ATOM 399 O VAL A 25 3.584 21.890 -4.001 1.00 0.00 O ATOM 400 CB VAL A 25 3.633 24.518 -1.924 1.00 0.00 C ATOM 401 CG1 VAL A 25 3.450 23.290 -1.046 1.00 0.00 C ATOM 402 CG2 VAL A 25 4.568 25.521 -1.265 1.00 0.00 C ATOM 0 H VAL A 25 3.917 26.139 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 25 5.163 23.690 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 25 2.660 24.993 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.073 23.594 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.738 22.611 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.408 22.784 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.176 25.795 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.556 25.076 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.643 26.412 -1.888 1.00 0.00 H new ATOM 412 N HIS A 26 2.056 23.507 -4.339 1.00 0.00 N ATOM 413 CA HIS A 26 1.077 22.608 -4.940 1.00 0.00 C ATOM 414 C HIS A 26 1.618 22.001 -6.231 1.00 0.00 C ATOM 415 O HIS A 26 1.478 20.802 -6.471 1.00 0.00 O ATOM 416 CB HIS A 26 -0.227 23.354 -5.221 1.00 0.00 C ATOM 417 CG HIS A 26 -1.439 22.475 -5.190 1.00 0.00 C ATOM 418 ND1 HIS A 26 -2.404 22.487 -6.175 1.00 0.00 N ATOM 419 CD2 HIS A 26 -1.840 21.551 -4.285 1.00 0.00 C ATOM 420 CE1 HIS A 26 -3.346 21.610 -5.877 1.00 0.00 C ATOM 421 NE2 HIS A 26 -3.027 21.029 -4.734 1.00 0.00 N ATOM 0 H HIS A 26 1.753 24.479 -4.276 1.00 0.00 H new ATOM 0 HA HIS A 26 0.880 21.801 -4.234 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.346 24.150 -4.486 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.159 23.831 -6.199 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.322 21.276 -3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.227 21.403 -6.467 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.574 20.309 -4.262 1.00 0.00 H new ATOM 429 N ARG A 27 2.236 22.837 -7.059 1.00 0.00 N ATOM 430 CA ARG A 27 2.796 22.383 -8.326 1.00 0.00 C ATOM 431 C ARG A 27 3.955 21.418 -8.094 1.00 0.00 C ATOM 432 O ARG A 27 4.113 20.435 -8.817 1.00 0.00 O ATOM 433 CB ARG A 27 3.272 23.578 -9.155 1.00 0.00 C ATOM 434 CG ARG A 27 4.059 23.185 -10.394 1.00 0.00 C ATOM 435 CD ARG A 27 4.588 24.407 -11.129 1.00 0.00 C ATOM 436 NE ARG A 27 5.731 24.082 -11.978 1.00 0.00 N ATOM 437 CZ ARG A 27 6.545 24.996 -12.495 1.00 0.00 C ATOM 438 NH1 ARG A 27 6.342 26.283 -12.251 1.00 0.00 N ATOM 439 NH2 ARG A 27 7.565 24.622 -13.258 1.00 0.00 N ATOM 0 H ARG A 27 2.361 23.832 -6.875 1.00 0.00 H new ATOM 0 HA ARG A 27 2.013 21.858 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.406 24.168 -9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.892 24.219 -8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.892 22.542 -10.109 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.422 22.605 -11.062 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.793 24.835 -11.739 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.879 25.168 -10.405 1.00 0.00 H new ATOM 0 HE ARG A 27 5.914 23.100 -12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.559 26.574 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.968 26.983 -12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.724 23.632 -13.448 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.190 25.324 -13.655 1.00 0.00 H new ATOM 453 N CYS A 28 4.764 21.707 -7.080 1.00 0.00 N ATOM 454 CA CYS A 28 5.908 20.865 -6.750 1.00 0.00 C ATOM 455 C CYS A 28 5.456 19.458 -6.372 1.00 0.00 C ATOM 456 O CYS A 28 5.934 18.471 -6.931 1.00 0.00 O ATOM 457 CB CYS A 28 6.707 21.482 -5.601 1.00 0.00 C ATOM 458 SG CYS A 28 8.231 20.575 -5.184 1.00 0.00 S ATOM 0 H CYS A 28 4.648 22.518 -6.472 1.00 0.00 H new ATOM 0 HA CYS A 28 6.545 20.798 -7.632 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.967 22.507 -5.863 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.072 21.531 -4.716 1.00 0.00 H new ATOM 463 N GLU A 29 4.533 19.375 -5.419 1.00 0.00 N ATOM 464 CA GLU A 29 4.019 18.088 -4.964 1.00 0.00 C ATOM 465 C GLU A 29 3.461 17.281 -6.133 1.00 0.00 C ATOM 466 O GLU A 29 3.805 16.113 -6.317 1.00 0.00 O ATOM 467 CB GLU A 29 2.932 18.293 -3.906 1.00 0.00 C ATOM 468 CG GLU A 29 3.468 18.775 -2.569 1.00 0.00 C ATOM 469 CD GLU A 29 2.636 18.291 -1.398 1.00 0.00 C ATOM 470 OE1 GLU A 29 2.101 17.165 -1.475 1.00 0.00 O ATOM 471 OE2 GLU A 29 2.520 19.038 -0.404 1.00 0.00 O ATOM 0 H GLU A 29 4.126 20.183 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 29 4.845 17.531 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.206 19.015 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.400 17.354 -3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.495 18.430 -2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.496 19.865 -2.564 1.00 0.00 H new ATOM 478 N LYS A 30 2.596 17.912 -6.920 1.00 0.00 N ATOM 479 CA LYS A 30 1.990 17.256 -8.073 1.00 0.00 C ATOM 480 C LYS A 30 3.060 16.688 -9.000 1.00 0.00 C ATOM 481 O LYS A 30 2.881 15.624 -9.593 1.00 0.00 O ATOM 482 CB LYS A 30 1.106 18.241 -8.840 1.00 0.00 C ATOM 483 CG LYS A 30 -0.317 18.320 -8.313 1.00 0.00 C ATOM 484 CD LYS A 30 -1.265 18.896 -9.351 1.00 0.00 C ATOM 485 CE LYS A 30 -1.332 20.413 -9.265 1.00 0.00 C ATOM 486 NZ LYS A 30 -0.281 21.063 -10.096 1.00 0.00 N ATOM 0 H LYS A 30 2.299 18.878 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 30 1.375 16.433 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.557 19.232 -8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.080 17.951 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.654 17.325 -8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.340 18.938 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.937 18.601 -10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.261 18.478 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.315 20.752 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.217 20.723 -8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.038 21.937 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.525 20.415 -10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.671 21.292 -11.032 1.00 0.00 H new ATOM 500 N LYS A 31 4.173 17.403 -9.119 1.00 0.00 N ATOM 501 CA LYS A 31 5.273 16.970 -9.973 1.00 0.00 C ATOM 502 C LYS A 31 5.952 15.730 -9.399 1.00 0.00 C ATOM 503 O LYS A 31 6.104 14.720 -10.086 1.00 0.00 O ATOM 504 CB LYS A 31 6.296 18.097 -10.133 1.00 0.00 C ATOM 505 CG LYS A 31 5.835 19.211 -11.057 1.00 0.00 C ATOM 506 CD LYS A 31 5.941 18.803 -12.517 1.00 0.00 C ATOM 507 CE LYS A 31 5.373 19.873 -13.437 1.00 0.00 C ATOM 508 NZ LYS A 31 3.901 20.025 -13.268 1.00 0.00 N ATOM 0 H LYS A 31 4.338 18.285 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 31 4.863 16.718 -10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.516 18.518 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.227 17.680 -10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.803 19.473 -10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.437 20.103 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.985 18.621 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.407 17.866 -12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.862 20.825 -13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.595 19.617 -14.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.514 20.564 -14.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.456 19.085 -13.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.704 20.532 -12.381 1.00 0.00 H new ATOM 522 N CYS A 32 6.356 15.814 -8.136 1.00 0.00 N ATOM 523 CA CYS A 32 7.017 14.699 -7.469 1.00 0.00 C ATOM 524 C CYS A 32 6.168 13.433 -7.556 1.00 0.00 C ATOM 525 O CYS A 32 6.693 12.321 -7.541 1.00 0.00 O ATOM 526 CB CYS A 32 7.290 15.044 -6.004 1.00 0.00 C ATOM 527 SG CYS A 32 8.680 16.195 -5.757 1.00 0.00 S ATOM 0 H CYS A 32 6.237 16.643 -7.554 1.00 0.00 H new ATOM 0 HA CYS A 32 7.965 14.515 -7.975 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.390 15.480 -5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.493 14.123 -5.457 1.00 0.00 H new ATOM 532 N GLU A 33 4.854 13.614 -7.646 1.00 0.00 N ATOM 533 CA GLU A 33 3.934 12.486 -7.735 1.00 0.00 C ATOM 534 C GLU A 33 3.998 11.839 -9.115 1.00 0.00 C ATOM 535 O GLU A 33 4.212 10.633 -9.236 1.00 0.00 O ATOM 536 CB GLU A 33 2.503 12.943 -7.440 1.00 0.00 C ATOM 537 CG GLU A 33 2.262 13.283 -5.979 1.00 0.00 C ATOM 538 CD GLU A 33 0.855 13.785 -5.721 1.00 0.00 C ATOM 539 OE1 GLU A 33 0.513 14.876 -6.224 1.00 0.00 O ATOM 540 OE2 GLU A 33 0.095 13.087 -5.017 1.00 0.00 O ATOM 0 H GLU A 33 4.403 14.529 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 33 4.233 11.747 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.277 13.818 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.810 12.157 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.446 12.399 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.978 14.042 -5.664 1.00 0.00 H new ATOM 547 N GLU A 34 3.810 12.649 -10.152 1.00 0.00 N ATOM 548 CA GLU A 34 3.844 12.154 -11.523 1.00 0.00 C ATOM 549 C GLU A 34 5.226 11.607 -11.869 1.00 0.00 C ATOM 550 O GLU A 34 5.351 10.569 -12.521 1.00 0.00 O ATOM 551 CB GLU A 34 3.466 13.269 -12.501 1.00 0.00 C ATOM 552 CG GLU A 34 4.300 14.529 -12.340 1.00 0.00 C ATOM 553 CD GLU A 34 3.889 15.627 -13.301 1.00 0.00 C ATOM 554 OE1 GLU A 34 2.869 16.297 -13.034 1.00 0.00 O ATOM 555 OE2 GLU A 34 4.586 15.817 -14.319 1.00 0.00 O ATOM 0 H GLU A 34 3.633 13.650 -10.069 1.00 0.00 H new ATOM 0 HA GLU A 34 3.119 11.344 -11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.575 12.899 -13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.414 13.520 -12.364 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.207 14.893 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.351 14.287 -12.498 1.00 0.00 H new ATOM 562 N LYS A 35 6.263 12.312 -11.429 1.00 0.00 N ATOM 563 CA LYS A 35 7.636 11.898 -11.690 1.00 0.00 C ATOM 564 C LYS A 35 7.963 10.603 -10.954 1.00 0.00 C ATOM 565 O LYS A 35 8.953 9.937 -11.259 1.00 0.00 O ATOM 566 CB LYS A 35 8.611 12.999 -11.265 1.00 0.00 C ATOM 567 CG LYS A 35 9.420 13.572 -12.416 1.00 0.00 C ATOM 568 CD LYS A 35 10.395 14.635 -11.937 1.00 0.00 C ATOM 569 CE LYS A 35 10.688 15.654 -13.027 1.00 0.00 C ATOM 570 NZ LYS A 35 11.524 16.779 -12.524 1.00 0.00 N ATOM 0 H LYS A 35 6.178 13.173 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 35 7.739 11.722 -12.761 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.052 13.804 -10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.294 12.599 -10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.968 12.771 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.746 14.002 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.982 15.142 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.324 14.162 -11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.200 15.163 -13.855 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.750 16.046 -13.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.702 17.452 -13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.025 17.264 -11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.430 16.408 -12.173 1.00 0.00 H new ATOM 584 N PHE A 36 7.125 10.250 -9.985 1.00 0.00 N ATOM 585 CA PHE A 36 7.324 9.033 -9.207 1.00 0.00 C ATOM 586 C PHE A 36 6.934 7.800 -10.018 1.00 0.00 C ATOM 587 O PHE A 36 7.668 6.813 -10.057 1.00 0.00 O ATOM 588 CB PHE A 36 6.505 9.088 -7.916 1.00 0.00 C ATOM 589 CG PHE A 36 7.275 8.660 -6.699 1.00 0.00 C ATOM 590 CD1 PHE A 36 8.135 9.540 -6.063 1.00 0.00 C ATOM 591 CD2 PHE A 36 7.139 7.377 -6.193 1.00 0.00 C ATOM 592 CE1 PHE A 36 8.845 9.149 -4.943 1.00 0.00 C ATOM 593 CE2 PHE A 36 7.846 6.981 -5.073 1.00 0.00 C ATOM 594 CZ PHE A 36 8.701 7.868 -4.448 1.00 0.00 C ATOM 0 H PHE A 36 6.301 10.790 -9.720 1.00 0.00 H new ATOM 0 HA PHE A 36 8.382 8.961 -8.955 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.143 10.105 -7.768 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.628 8.450 -8.024 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.252 10.543 -6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.473 6.679 -6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.512 9.845 -4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.730 5.979 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.256 7.560 -3.574 1.00 0.00 H new