USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=5 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= -0.0829 K(o=-0.083,f=-0.78) USER MOD Single : A 6 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.35) USER MOD Single : A 12 GLN : amide:sc= 0.0864 X(o=0.086,f=-0.38) USER MOD Single : A 13 ASN : amide:sc= -0.588 K(o=-0.59,f=-3!) USER MOD Single : A 17 MET CE :methyl -148:sc= -0.199 (180deg=-1.16) USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= -0.188 (180deg=-0.766) 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 X(o=0,f=-0.0064) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc=-0.00217 (180deg=-0.765) 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 8.702 3.948 -2.259 1.00 0.00 N ATOM 64 CA GLN A 5 7.789 5.071 -2.436 1.00 0.00 C ATOM 65 C GLN A 5 7.795 5.976 -1.208 1.00 0.00 C ATOM 66 O GLN A 5 7.416 7.144 -1.285 1.00 0.00 O ATOM 67 CB GLN A 5 6.371 4.566 -2.705 1.00 0.00 C ATOM 68 CG GLN A 5 5.820 3.681 -1.599 1.00 0.00 C ATOM 69 CD GLN A 5 4.307 3.718 -1.521 1.00 0.00 C ATOM 70 OE1 GLN A 5 3.692 4.776 -1.661 1.00 0.00 O ATOM 71 NE2 GLN A 5 3.697 2.560 -1.298 1.00 0.00 N ATOM 0 HA GLN A 5 8.129 5.651 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.709 5.422 -2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.364 4.009 -3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.146 2.654 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.237 3.998 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.246 1.707 -1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.680 2.523 -1.237 1.00 0.00 H new ATOM 80 N GLN A 6 8.226 5.427 -0.077 1.00 0.00 N ATOM 81 CA GLN A 6 8.278 6.184 1.168 1.00 0.00 C ATOM 82 C GLN A 6 9.093 7.462 0.994 1.00 0.00 C ATOM 83 O GLN A 6 8.832 8.469 1.651 1.00 0.00 O ATOM 84 CB GLN A 6 8.880 5.330 2.285 1.00 0.00 C ATOM 85 CG GLN A 6 7.852 4.502 3.039 1.00 0.00 C ATOM 86 CD GLN A 6 6.837 3.853 2.118 1.00 0.00 C ATOM 87 OE1 GLN A 6 7.094 2.801 1.533 1.00 0.00 O ATOM 88 NE2 GLN A 6 5.673 4.480 1.985 1.00 0.00 N ATOM 0 H GLN A 6 8.544 4.461 0.003 1.00 0.00 H new ATOM 0 HA GLN A 6 7.259 6.458 1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.629 4.663 1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.398 5.981 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.363 3.729 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.332 5.139 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.502 5.350 2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.950 4.091 1.379 1.00 0.00 H new ATOM 97 N GLU A 7 10.080 7.412 0.105 1.00 0.00 N ATOM 98 CA GLU A 7 10.932 8.566 -0.155 1.00 0.00 C ATOM 99 C GLU A 7 10.131 9.704 -0.781 1.00 0.00 C ATOM 100 O GLU A 7 10.345 10.876 -0.466 1.00 0.00 O ATOM 101 CB GLU A 7 12.091 8.176 -1.075 1.00 0.00 C ATOM 102 CG GLU A 7 13.437 8.130 -0.373 1.00 0.00 C ATOM 103 CD GLU A 7 13.820 6.729 0.064 1.00 0.00 C ATOM 104 OE1 GLU A 7 12.915 5.874 0.170 1.00 0.00 O ATOM 105 OE2 GLU A 7 15.022 6.488 0.299 1.00 0.00 O ATOM 0 H GLU A 7 10.309 6.585 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 7 11.335 8.910 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.885 7.198 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.145 8.887 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.204 8.521 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.410 8.784 0.499 1.00 0.00 H new ATOM 112 N LEU A 8 9.209 9.351 -1.669 1.00 0.00 N ATOM 113 CA LEU A 8 8.374 10.341 -2.340 1.00 0.00 C ATOM 114 C LEU A 8 7.623 11.198 -1.325 1.00 0.00 C ATOM 115 O LEU A 8 7.624 12.425 -1.414 1.00 0.00 O ATOM 116 CB LEU A 8 7.380 9.650 -3.276 1.00 0.00 C ATOM 117 CG LEU A 8 6.540 10.571 -4.161 1.00 0.00 C ATOM 118 CD1 LEU A 8 7.430 11.356 -5.112 1.00 0.00 C ATOM 119 CD2 LEU A 8 5.506 9.768 -4.936 1.00 0.00 C ATOM 0 H LEU A 8 9.020 8.386 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 8 9.024 10.990 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.933 8.966 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.704 9.044 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 8 6.015 11.279 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.814 12.006 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.131 11.961 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.983 10.664 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.917 10.440 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.011 9.036 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.848 9.252 -4.237 1.00 0.00 H new ATOM 131 N GLU A 9 6.985 10.541 -0.361 1.00 0.00 N ATOM 132 CA GLU A 9 6.233 11.243 0.672 1.00 0.00 C ATOM 133 C GLU A 9 7.087 12.324 1.328 1.00 0.00 C ATOM 134 O GLU A 9 6.578 13.364 1.743 1.00 0.00 O ATOM 135 CB GLU A 9 5.736 10.257 1.731 1.00 0.00 C ATOM 136 CG GLU A 9 4.452 9.544 1.344 1.00 0.00 C ATOM 137 CD GLU A 9 3.923 8.652 2.451 1.00 0.00 C ATOM 138 OE1 GLU A 9 4.343 7.478 2.519 1.00 0.00 O ATOM 139 OE2 GLU A 9 3.090 9.130 3.250 1.00 0.00 O ATOM 0 H GLU A 9 6.974 9.525 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 9 5.375 11.720 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.512 9.515 1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.576 10.792 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.694 10.283 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.629 8.943 0.452 1.00 0.00 H new ATOM 146 N GLU A 10 8.389 12.068 1.417 1.00 0.00 N ATOM 147 CA GLU A 10 9.313 13.018 2.024 1.00 0.00 C ATOM 148 C GLU A 10 9.571 14.199 1.092 1.00 0.00 C ATOM 149 O GLU A 10 9.607 15.351 1.526 1.00 0.00 O ATOM 150 CB GLU A 10 10.635 12.329 2.368 1.00 0.00 C ATOM 151 CG GLU A 10 10.487 11.192 3.366 1.00 0.00 C ATOM 152 CD GLU A 10 10.456 11.677 4.802 1.00 0.00 C ATOM 153 OE1 GLU A 10 11.435 12.323 5.232 1.00 0.00 O ATOM 154 OE2 GLU A 10 9.453 11.410 5.496 1.00 0.00 O ATOM 0 H GLU A 10 8.827 11.212 1.077 1.00 0.00 H new ATOM 0 HA GLU A 10 8.857 13.393 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.082 11.942 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.326 13.069 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.570 10.643 3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.314 10.493 3.240 1.00 0.00 H new ATOM 161 N CYS A 11 9.750 13.904 -0.191 1.00 0.00 N ATOM 162 CA CYS A 11 10.003 14.939 -1.186 1.00 0.00 C ATOM 163 C CYS A 11 8.817 15.894 -1.292 1.00 0.00 C ATOM 164 O CYS A 11 8.985 17.112 -1.260 1.00 0.00 O ATOM 165 CB CYS A 11 10.285 14.306 -2.550 1.00 0.00 C ATOM 166 SG CYS A 11 11.297 15.342 -3.656 1.00 0.00 S ATOM 0 H CYS A 11 9.724 12.956 -0.566 1.00 0.00 H new ATOM 0 HA CYS A 11 10.877 15.507 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.791 13.353 -2.398 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.336 14.088 -3.041 1.00 0.00 H new ATOM 171 N GLN A 12 7.620 15.330 -1.417 1.00 0.00 N ATOM 172 CA GLN A 12 6.406 16.131 -1.527 1.00 0.00 C ATOM 173 C GLN A 12 6.144 16.901 -0.237 1.00 0.00 C ATOM 174 O GLN A 12 5.817 18.087 -0.266 1.00 0.00 O ATOM 175 CB GLN A 12 5.208 15.238 -1.854 1.00 0.00 C ATOM 176 CG GLN A 12 5.404 14.390 -3.100 1.00 0.00 C ATOM 177 CD GLN A 12 4.124 14.214 -3.893 1.00 0.00 C ATOM 178 OE1 GLN A 12 3.076 13.882 -3.337 1.00 0.00 O ATOM 179 NE2 GLN A 12 4.201 14.436 -5.200 1.00 0.00 N ATOM 0 H GLN A 12 7.465 14.322 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 12 6.546 16.849 -2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.012 14.582 -1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.325 15.863 -1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.160 14.853 -3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.786 13.411 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.090 14.709 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.371 14.333 -5.785 1.00 0.00 H new ATOM 188 N ASN A 13 6.291 16.219 0.894 1.00 0.00 N ATOM 189 CA ASN A 13 6.068 16.839 2.195 1.00 0.00 C ATOM 190 C ASN A 13 6.909 18.102 2.348 1.00 0.00 C ATOM 191 O ASN A 13 6.436 19.119 2.856 1.00 0.00 O ATOM 192 CB ASN A 13 6.400 15.853 3.317 1.00 0.00 C ATOM 193 CG ASN A 13 6.119 16.426 4.693 1.00 0.00 C ATOM 194 OD1 ASN A 13 6.664 17.464 5.068 1.00 0.00 O ATOM 195 ND2 ASN A 13 5.265 15.750 5.452 1.00 0.00 N ATOM 0 H ASN A 13 6.564 15.237 0.936 1.00 0.00 H new ATOM 0 HA ASN A 13 5.016 17.115 2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.818 14.942 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.451 15.572 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.037 16.087 6.387 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.837 14.894 5.100 1.00 0.00 H new ATOM 202 N VAL A 14 8.159 18.031 1.902 1.00 0.00 N ATOM 203 CA VAL A 14 9.067 19.170 1.986 1.00 0.00 C ATOM 204 C VAL A 14 8.627 20.293 1.054 1.00 0.00 C ATOM 205 O VAL A 14 8.678 21.469 1.413 1.00 0.00 O ATOM 206 CB VAL A 14 10.511 18.763 1.637 1.00 0.00 C ATOM 207 CG1 VAL A 14 11.433 19.971 1.691 1.00 0.00 C ATOM 208 CG2 VAL A 14 10.997 17.668 2.574 1.00 0.00 C ATOM 0 H VAL A 14 8.566 17.197 1.479 1.00 0.00 H new ATOM 0 HA VAL A 14 9.037 19.524 3.016 1.00 0.00 H new ATOM 0 HB VAL A 14 10.524 18.371 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.449 19.665 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.094 20.720 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.418 20.396 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.019 17.393 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.970 18.030 3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.351 16.795 2.480 1.00 0.00 H new ATOM 218 N CYS A 15 8.194 19.922 -0.147 1.00 0.00 N ATOM 219 CA CYS A 15 7.745 20.897 -1.133 1.00 0.00 C ATOM 220 C CYS A 15 6.617 21.758 -0.573 1.00 0.00 C ATOM 221 O CYS A 15 6.599 22.975 -0.759 1.00 0.00 O ATOM 222 CB CYS A 15 7.277 20.189 -2.406 1.00 0.00 C ATOM 223 SG CYS A 15 8.614 19.378 -3.340 1.00 0.00 S ATOM 0 H CYS A 15 8.145 18.953 -0.460 1.00 0.00 H new ATOM 0 HA CYS A 15 8.587 21.545 -1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.529 19.442 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.785 20.915 -3.053 1.00 0.00 H new ATOM 228 N ARG A 16 5.677 21.118 0.115 1.00 0.00 N ATOM 229 CA ARG A 16 4.544 21.824 0.702 1.00 0.00 C ATOM 230 C ARG A 16 5.008 22.777 1.799 1.00 0.00 C ATOM 231 O ARG A 16 4.283 23.692 2.187 1.00 0.00 O ATOM 232 CB ARG A 16 3.534 20.827 1.271 1.00 0.00 C ATOM 233 CG ARG A 16 3.040 19.811 0.253 1.00 0.00 C ATOM 234 CD ARG A 16 2.724 18.475 0.907 1.00 0.00 C ATOM 235 NE ARG A 16 2.650 17.392 -0.070 1.00 0.00 N ATOM 236 CZ ARG A 16 2.061 16.226 0.170 1.00 0.00 C ATOM 237 NH1 ARG A 16 1.497 15.993 1.347 1.00 0.00 N ATOM 238 NH2 ARG A 16 2.035 15.289 -0.770 1.00 0.00 N ATOM 0 H ARG A 16 5.678 20.111 0.280 1.00 0.00 H new ATOM 0 HA ARG A 16 4.064 22.407 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.990 20.298 2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.680 21.375 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.148 20.195 -0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.797 19.670 -0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.490 18.244 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.776 18.548 1.440 1.00 0.00 H new ATOM 0 HE ARG A 16 3.074 17.539 -0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.514 16.710 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.046 15.096 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.467 15.464 -1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.583 14.394 -0.585 1.00 0.00 H new ATOM 252 N MET A 17 6.220 22.554 2.296 1.00 0.00 N ATOM 253 CA MET A 17 6.781 23.394 3.348 1.00 0.00 C ATOM 254 C MET A 17 7.551 24.569 2.754 1.00 0.00 C ATOM 255 O MET A 17 8.157 25.358 3.479 1.00 0.00 O ATOM 256 CB MET A 17 7.701 22.571 4.252 1.00 0.00 C ATOM 257 CG MET A 17 7.033 22.105 5.536 1.00 0.00 C ATOM 258 SD MET A 17 7.703 22.916 7.001 1.00 0.00 S ATOM 259 CE MET A 17 9.433 22.472 6.872 1.00 0.00 C ATOM 0 H MET A 17 6.832 21.799 1.987 1.00 0.00 H new ATOM 0 HA MET A 17 5.956 23.787 3.942 1.00 0.00 H new ATOM 0 HB2 MET A 17 8.056 21.701 3.700 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.578 23.168 4.504 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.962 22.300 5.475 1.00 0.00 H new ATOM 0 HG3 MET A 17 7.156 21.026 5.634 1.00 0.00 H new ATOM 0 HE1 MET A 17 9.858 22.372 7.871 1.00 0.00 H new ATOM 0 HE2 MET A 17 9.527 21.525 6.341 1.00 0.00 H new ATOM 0 HE3 MET A 17 9.968 23.249 6.325 1.00 0.00 H new ATOM 269 N LYS A 18 7.524 24.679 1.430 1.00 0.00 N ATOM 270 CA LYS A 18 8.220 25.757 0.737 1.00 0.00 C ATOM 271 C LYS A 18 7.460 27.073 0.877 1.00 0.00 C ATOM 272 O LYS A 18 6.305 27.179 0.465 1.00 0.00 O ATOM 273 CB LYS A 18 8.394 25.411 -0.743 1.00 0.00 C ATOM 274 CG LYS A 18 9.299 24.215 -0.986 1.00 0.00 C ATOM 275 CD LYS A 18 10.682 24.434 -0.396 1.00 0.00 C ATOM 276 CE LYS A 18 11.722 23.556 -1.075 1.00 0.00 C ATOM 277 NZ LYS A 18 11.853 23.871 -2.524 1.00 0.00 N ATOM 0 H LYS A 18 7.027 24.034 0.815 1.00 0.00 H new ATOM 0 HA LYS A 18 9.203 25.875 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.415 25.209 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.802 26.277 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.852 23.324 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.384 24.033 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.963 25.482 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.662 24.217 0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.687 23.691 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.447 22.508 -0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.800 23.596 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.133 23.346 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.718 24.892 -2.671 1.00 0.00 H new ATOM 291 N ARG A 19 8.117 28.071 1.458 1.00 0.00 N ATOM 292 CA ARG A 19 7.502 29.379 1.652 1.00 0.00 C ATOM 293 C ARG A 19 7.824 30.309 0.486 1.00 0.00 C ATOM 294 O ARG A 19 8.167 31.475 0.686 1.00 0.00 O ATOM 295 CB ARG A 19 7.983 30.002 2.963 1.00 0.00 C ATOM 296 CG ARG A 19 6.919 30.823 3.674 1.00 0.00 C ATOM 297 CD ARG A 19 7.395 31.288 5.041 1.00 0.00 C ATOM 298 NE ARG A 19 6.345 31.988 5.777 1.00 0.00 N ATOM 299 CZ ARG A 19 5.372 31.369 6.436 1.00 0.00 C ATOM 300 NH1 ARG A 19 5.315 30.044 6.451 1.00 0.00 N ATOM 301 NH2 ARG A 19 4.453 32.075 7.082 1.00 0.00 N ATOM 0 H ARG A 19 9.074 27.999 1.802 1.00 0.00 H new ATOM 0 HA ARG A 19 6.422 29.242 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.323 29.209 3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.844 30.638 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.658 31.688 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.013 30.227 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.732 30.428 5.620 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.255 31.947 4.921 1.00 0.00 H new ATOM 0 HE ARG A 19 6.360 33.008 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.020 29.498 5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.567 29.571 6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.493 33.094 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.706 31.599 7.588 1.00 0.00 H new ATOM 315 N TRP A 20 7.712 29.786 -0.730 1.00 0.00 N ATOM 316 CA TRP A 20 7.992 30.570 -1.927 1.00 0.00 C ATOM 317 C TRP A 20 6.698 31.025 -2.594 1.00 0.00 C ATOM 318 O TRP A 20 6.433 32.222 -2.703 1.00 0.00 O ATOM 319 CB TRP A 20 8.828 29.753 -2.913 1.00 0.00 C ATOM 320 CG TRP A 20 10.304 29.865 -2.675 1.00 0.00 C ATOM 321 CD1 TRP A 20 11.056 29.108 -1.823 1.00 0.00 C ATOM 322 CD2 TRP A 20 11.204 30.789 -3.296 1.00 0.00 C ATOM 323 NE1 TRP A 20 12.370 29.506 -1.877 1.00 0.00 N ATOM 324 CE2 TRP A 20 12.487 30.535 -2.773 1.00 0.00 C ATOM 325 CE3 TRP A 20 11.052 31.804 -4.244 1.00 0.00 C ATOM 326 CZ2 TRP A 20 13.608 31.261 -3.167 1.00 0.00 C ATOM 327 CZ3 TRP A 20 12.165 32.524 -4.633 1.00 0.00 C ATOM 328 CH2 TRP A 20 13.430 32.249 -4.096 1.00 0.00 C ATOM 0 H TRP A 20 7.429 28.823 -0.913 1.00 0.00 H new ATOM 0 HA TRP A 20 8.556 31.454 -1.629 1.00 0.00 H new ATOM 0 HB2 TRP A 20 8.535 28.705 -2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.605 30.082 -3.928 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.674 28.314 -1.199 1.00 0.00 H new ATOM 0 HE1 TRP A 20 13.135 29.101 -1.337 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.082 32.022 -4.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 14.584 31.051 -2.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.058 33.312 -5.363 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.281 32.829 -4.422 1.00 0.00 H new ATOM 339 N SER A 21 5.896 30.063 -3.039 1.00 0.00 N ATOM 340 CA SER A 21 4.631 30.365 -3.697 1.00 0.00 C ATOM 341 C SER A 21 3.853 29.087 -3.993 1.00 0.00 C ATOM 342 O SER A 21 4.438 28.039 -4.271 1.00 0.00 O ATOM 343 CB SER A 21 4.878 31.137 -4.994 1.00 0.00 C ATOM 344 OG SER A 21 5.609 30.354 -5.922 1.00 0.00 O ATOM 0 H SER A 21 6.100 29.067 -2.956 1.00 0.00 H new ATOM 0 HA SER A 21 4.038 30.982 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.925 31.431 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.425 32.054 -4.776 1.00 0.00 H new ATOM 0 HG SER A 21 5.752 30.869 -6.743 1.00 0.00 H new ATOM 350 N THR A 22 2.528 29.180 -3.932 1.00 0.00 N ATOM 351 CA THR A 22 1.669 28.032 -4.193 1.00 0.00 C ATOM 352 C THR A 22 2.027 27.366 -5.516 1.00 0.00 C ATOM 353 O THR A 22 2.022 26.140 -5.625 1.00 0.00 O ATOM 354 CB THR A 22 0.183 28.438 -4.221 1.00 0.00 C ATOM 355 OG1 THR A 22 -0.627 27.308 -4.565 1.00 0.00 O ATOM 356 CG2 THR A 22 -0.052 29.560 -5.221 1.00 0.00 C ATOM 0 H THR A 22 2.027 30.039 -3.704 1.00 0.00 H new ATOM 0 HA THR A 22 1.830 27.325 -3.379 1.00 0.00 H new ATOM 0 HB THR A 22 -0.093 28.794 -3.228 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.570 27.574 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.108 29.830 -5.223 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.544 30.428 -4.940 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.240 29.227 -6.217 1.00 0.00 H new ATOM 364 N GLU A 23 2.338 28.182 -6.519 1.00 0.00 N ATOM 365 CA GLU A 23 2.701 27.669 -7.835 1.00 0.00 C ATOM 366 C GLU A 23 3.947 26.792 -7.753 1.00 0.00 C ATOM 367 O GLU A 23 4.006 25.722 -8.357 1.00 0.00 O ATOM 368 CB GLU A 23 2.941 28.825 -8.808 1.00 0.00 C ATOM 369 CG GLU A 23 3.238 28.373 -10.228 1.00 0.00 C ATOM 370 CD GLU A 23 2.249 27.339 -10.730 1.00 0.00 C ATOM 371 OE1 GLU A 23 1.029 27.582 -10.618 1.00 0.00 O ATOM 372 OE2 GLU A 23 2.694 26.288 -11.235 1.00 0.00 O ATOM 0 H GLU A 23 2.346 29.199 -6.445 1.00 0.00 H new ATOM 0 HA GLU A 23 1.874 27.061 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.062 29.470 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.774 29.427 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.222 29.238 -10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.245 27.958 -10.270 1.00 0.00 H new ATOM 379 N MET A 24 4.941 27.254 -7.001 1.00 0.00 N ATOM 380 CA MET A 24 6.186 26.513 -6.841 1.00 0.00 C ATOM 381 C MET A 24 5.945 25.197 -6.108 1.00 0.00 C ATOM 382 O MET A 24 6.614 24.198 -6.369 1.00 0.00 O ATOM 383 CB MET A 24 7.211 27.355 -6.079 1.00 0.00 C ATOM 384 CG MET A 24 7.911 28.390 -6.944 1.00 0.00 C ATOM 385 SD MET A 24 9.066 27.650 -8.115 1.00 0.00 S ATOM 386 CE MET A 24 10.521 27.467 -7.086 1.00 0.00 C ATOM 0 H MET A 24 4.908 28.138 -6.493 1.00 0.00 H new ATOM 0 HA MET A 24 6.577 26.289 -7.834 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.711 27.862 -5.253 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.959 26.694 -5.641 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.164 28.966 -7.491 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.447 29.090 -6.304 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.326 27.021 -7.670 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.835 28.446 -6.723 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.288 26.823 -6.238 1.00 0.00 H new ATOM 396 N VAL A 25 4.985 25.205 -5.188 1.00 0.00 N ATOM 397 CA VAL A 25 4.654 24.011 -4.419 1.00 0.00 C ATOM 398 C VAL A 25 4.101 22.912 -5.319 1.00 0.00 C ATOM 399 O VAL A 25 4.623 21.797 -5.347 1.00 0.00 O ATOM 400 CB VAL A 25 3.625 24.322 -3.316 1.00 0.00 C ATOM 401 CG1 VAL A 25 3.353 23.084 -2.475 1.00 0.00 C ATOM 402 CG2 VAL A 25 4.108 25.472 -2.446 1.00 0.00 C ATOM 0 H VAL A 25 4.423 26.025 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 25 5.579 23.666 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 25 2.690 24.623 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.624 23.323 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.960 22.291 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.280 22.750 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.369 25.678 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.056 25.202 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.246 26.361 -3.062 1.00 0.00 H new ATOM 412 N HIS A 26 3.042 23.234 -6.055 1.00 0.00 N ATOM 413 CA HIS A 26 2.420 22.275 -6.960 1.00 0.00 C ATOM 414 C HIS A 26 3.442 21.716 -7.945 1.00 0.00 C ATOM 415 O HIS A 26 3.517 20.505 -8.158 1.00 0.00 O ATOM 416 CB HIS A 26 1.268 22.932 -7.721 1.00 0.00 C ATOM 417 CG HIS A 26 -0.052 22.820 -7.023 1.00 0.00 C ATOM 418 ND1 HIS A 26 -1.138 22.167 -7.567 1.00 0.00 N ATOM 419 CD2 HIS A 26 -0.457 23.280 -5.816 1.00 0.00 C ATOM 420 CE1 HIS A 26 -2.155 22.233 -6.726 1.00 0.00 C ATOM 421 NE2 HIS A 26 -1.768 22.902 -5.655 1.00 0.00 N ATOM 0 H HIS A 26 2.597 24.152 -6.042 1.00 0.00 H new ATOM 0 HA HIS A 26 2.028 21.451 -6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.500 23.986 -7.875 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.188 22.475 -8.707 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.139 23.840 -5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.136 21.811 -6.887 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.348 23.105 -4.841 1.00 0.00 H new ATOM 429 N ARG A 27 4.227 22.605 -8.545 1.00 0.00 N ATOM 430 CA ARG A 27 5.244 22.200 -9.508 1.00 0.00 C ATOM 431 C ARG A 27 6.262 21.264 -8.864 1.00 0.00 C ATOM 432 O ARG A 27 6.617 20.230 -9.431 1.00 0.00 O ATOM 433 CB ARG A 27 5.954 23.429 -10.079 1.00 0.00 C ATOM 434 CG ARG A 27 7.174 23.091 -10.920 1.00 0.00 C ATOM 435 CD ARG A 27 7.855 24.346 -11.443 1.00 0.00 C ATOM 436 NE ARG A 27 9.267 24.120 -11.738 1.00 0.00 N ATOM 437 CZ ARG A 27 10.042 25.009 -12.350 1.00 0.00 C ATOM 438 NH1 ARG A 27 9.543 26.178 -12.730 1.00 0.00 N ATOM 439 NH2 ARG A 27 11.318 24.730 -12.584 1.00 0.00 N ATOM 0 H ARG A 27 4.178 23.611 -8.381 1.00 0.00 H new ATOM 0 HA ARG A 27 4.748 21.666 -10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.249 23.995 -10.688 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.258 24.077 -9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.880 22.514 -10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.876 22.461 -11.758 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.346 24.685 -12.345 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.762 25.143 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 27 9.681 23.231 -11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.562 26.396 -12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.140 26.859 -13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.705 23.832 -12.294 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.912 25.414 -13.054 1.00 0.00 H new ATOM 453 N CYS A 28 6.729 21.634 -7.676 1.00 0.00 N ATOM 454 CA CYS A 28 7.705 20.828 -6.953 1.00 0.00 C ATOM 455 C CYS A 28 7.194 19.404 -6.753 1.00 0.00 C ATOM 456 O CYS A 28 7.860 18.438 -7.123 1.00 0.00 O ATOM 457 CB CYS A 28 8.018 21.464 -5.597 1.00 0.00 C ATOM 458 SG CYS A 28 9.374 20.652 -4.690 1.00 0.00 S ATOM 0 H CYS A 28 6.447 22.487 -7.194 1.00 0.00 H new ATOM 0 HA CYS A 28 8.618 20.788 -7.548 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.274 22.512 -5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.119 21.442 -4.981 1.00 0.00 H new ATOM 463 N GLU A 29 6.007 19.284 -6.166 1.00 0.00 N ATOM 464 CA GLU A 29 5.409 17.978 -5.915 1.00 0.00 C ATOM 465 C GLU A 29 5.389 17.135 -7.187 1.00 0.00 C ATOM 466 O GLU A 29 5.934 16.031 -7.222 1.00 0.00 O ATOM 467 CB GLU A 29 3.986 18.140 -5.376 1.00 0.00 C ATOM 468 CG GLU A 29 3.923 18.815 -4.016 1.00 0.00 C ATOM 469 CD GLU A 29 2.701 18.407 -3.218 1.00 0.00 C ATOM 470 OE1 GLU A 29 2.464 17.188 -3.078 1.00 0.00 O ATOM 471 OE2 GLU A 29 1.981 19.304 -2.733 1.00 0.00 O ATOM 0 H GLU A 29 5.441 20.074 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 29 6.017 17.466 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.401 18.722 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.519 17.158 -5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.821 18.568 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.919 19.897 -4.151 1.00 0.00 H new ATOM 478 N LYS A 30 4.758 17.663 -8.230 1.00 0.00 N ATOM 479 CA LYS A 30 4.668 16.962 -9.506 1.00 0.00 C ATOM 480 C LYS A 30 6.056 16.615 -10.035 1.00 0.00 C ATOM 481 O LYS A 30 6.230 15.630 -10.753 1.00 0.00 O ATOM 482 CB LYS A 30 3.920 17.818 -10.530 1.00 0.00 C ATOM 483 CG LYS A 30 2.462 18.055 -10.175 1.00 0.00 C ATOM 484 CD LYS A 30 1.629 18.357 -11.409 1.00 0.00 C ATOM 485 CE LYS A 30 1.653 19.840 -11.748 1.00 0.00 C ATOM 486 NZ LYS A 30 2.914 20.232 -12.437 1.00 0.00 N ATOM 0 H LYS A 30 4.301 18.575 -8.217 1.00 0.00 H new ATOM 0 HA LYS A 30 4.117 16.035 -9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.423 18.780 -10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.974 17.333 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.062 17.175 -9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.388 18.885 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.008 17.783 -12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.600 18.037 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.802 20.081 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.542 20.423 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.737 21.062 -13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.638 20.466 -11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.248 19.442 -13.026 1.00 0.00 H new ATOM 500 N LYS A 31 7.042 17.429 -9.674 1.00 0.00 N ATOM 501 CA LYS A 31 8.416 17.208 -10.111 1.00 0.00 C ATOM 502 C LYS A 31 9.012 15.980 -9.432 1.00 0.00 C ATOM 503 O LYS A 31 9.652 15.149 -10.078 1.00 0.00 O ATOM 504 CB LYS A 31 9.273 18.439 -9.807 1.00 0.00 C ATOM 505 CG LYS A 31 9.887 19.073 -11.044 1.00 0.00 C ATOM 506 CD LYS A 31 10.778 20.250 -10.683 1.00 0.00 C ATOM 507 CE LYS A 31 11.987 19.806 -9.874 1.00 0.00 C ATOM 508 NZ LYS A 31 13.052 20.847 -9.851 1.00 0.00 N ATOM 0 H LYS A 31 6.915 18.248 -9.080 1.00 0.00 H new ATOM 0 HA LYS A 31 8.406 17.036 -11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.660 19.181 -9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.071 18.156 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.469 18.327 -11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.095 19.407 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.111 20.748 -11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.205 20.980 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.678 19.580 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.388 18.885 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.859 20.506 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.365 21.045 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.677 21.718 -9.424 1.00 0.00 H new ATOM 522 N CYS A 32 8.797 15.869 -8.125 1.00 0.00 N ATOM 523 CA CYS A 32 9.311 14.741 -7.358 1.00 0.00 C ATOM 524 C CYS A 32 8.610 13.447 -7.758 1.00 0.00 C ATOM 525 O CYS A 32 9.174 12.360 -7.634 1.00 0.00 O ATOM 526 CB CYS A 32 9.128 14.991 -5.859 1.00 0.00 C ATOM 527 SG CYS A 32 10.310 16.185 -5.155 1.00 0.00 S ATOM 0 H CYS A 32 8.270 16.547 -7.575 1.00 0.00 H new ATOM 0 HA CYS A 32 10.374 14.640 -7.576 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.115 15.352 -5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 32 9.226 14.044 -5.329 1.00 0.00 H new ATOM 532 N GLU A 33 7.376 13.572 -8.238 1.00 0.00 N ATOM 533 CA GLU A 33 6.598 12.412 -8.656 1.00 0.00 C ATOM 534 C GLU A 33 7.086 11.886 -10.003 1.00 0.00 C ATOM 535 O GLU A 33 7.137 10.677 -10.226 1.00 0.00 O ATOM 536 CB GLU A 33 5.113 12.771 -8.743 1.00 0.00 C ATOM 537 CG GLU A 33 4.601 12.898 -10.168 1.00 0.00 C ATOM 538 CD GLU A 33 3.145 13.319 -10.229 1.00 0.00 C ATOM 539 OE1 GLU A 33 2.269 12.467 -9.975 1.00 0.00 O ATOM 540 OE2 GLU A 33 2.883 14.502 -10.531 1.00 0.00 O ATOM 0 H GLU A 33 6.894 14.465 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 33 6.732 11.629 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.532 12.009 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.944 13.712 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.209 13.626 -10.705 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.721 11.943 -10.680 1.00 0.00 H new ATOM 547 N GLU A 34 7.443 12.804 -10.896 1.00 0.00 N ATOM 548 CA GLU A 34 7.925 12.433 -12.221 1.00 0.00 C ATOM 549 C GLU A 34 9.368 11.942 -12.157 1.00 0.00 C ATOM 550 O GLU A 34 9.766 11.048 -12.905 1.00 0.00 O ATOM 551 CB GLU A 34 7.820 13.622 -13.177 1.00 0.00 C ATOM 552 CG GLU A 34 8.626 14.832 -12.734 1.00 0.00 C ATOM 553 CD GLU A 34 8.617 15.947 -13.762 1.00 0.00 C ATOM 554 OE1 GLU A 34 7.529 16.262 -14.287 1.00 0.00 O ATOM 555 OE2 GLU A 34 9.699 16.505 -14.040 1.00 0.00 O ATOM 0 H GLU A 34 7.407 13.809 -10.726 1.00 0.00 H new ATOM 0 HA GLU A 34 7.300 11.621 -12.593 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.158 13.313 -14.166 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.773 13.909 -13.273 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.224 15.207 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.655 14.528 -12.542 1.00 0.00 H new ATOM 562 N LYS A 35 10.149 12.533 -11.259 1.00 0.00 N ATOM 563 CA LYS A 35 11.548 12.157 -11.095 1.00 0.00 C ATOM 564 C LYS A 35 11.671 10.827 -10.360 1.00 0.00 C ATOM 565 O LYS A 35 12.730 10.198 -10.367 1.00 0.00 O ATOM 566 CB LYS A 35 12.304 13.247 -10.331 1.00 0.00 C ATOM 567 CG LYS A 35 13.377 13.936 -11.156 1.00 0.00 C ATOM 568 CD LYS A 35 14.707 13.208 -11.061 1.00 0.00 C ATOM 569 CE LYS A 35 14.849 12.161 -12.155 1.00 0.00 C ATOM 570 NZ LYS A 35 16.232 11.613 -12.222 1.00 0.00 N ATOM 0 H LYS A 35 9.836 13.275 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 35 11.987 12.046 -12.086 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.592 13.994 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.765 12.806 -9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.061 13.984 -12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.498 14.963 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.523 13.927 -11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.792 12.730 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.145 11.349 -11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.586 12.602 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.288 10.903 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.902 12.384 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.474 11.169 -11.313 1.00 0.00 H new ATOM 584 N PHE A 36 10.582 10.403 -9.727 1.00 0.00 N ATOM 585 CA PHE A 36 10.568 9.145 -8.988 1.00 0.00 C ATOM 586 C PHE A 36 10.508 7.955 -9.942 1.00 0.00 C ATOM 587 O PHE A 36 11.341 7.052 -9.875 1.00 0.00 O ATOM 588 CB PHE A 36 9.376 9.106 -8.030 1.00 0.00 C ATOM 589 CG PHE A 36 9.732 8.629 -6.651 1.00 0.00 C ATOM 590 CD1 PHE A 36 10.264 9.503 -5.717 1.00 0.00 C ATOM 591 CD2 PHE A 36 9.535 7.306 -6.289 1.00 0.00 C ATOM 592 CE1 PHE A 36 10.592 9.067 -4.447 1.00 0.00 C ATOM 593 CE2 PHE A 36 9.860 6.864 -5.020 1.00 0.00 C ATOM 594 CZ PHE A 36 10.391 7.746 -4.098 1.00 0.00 C ATOM 0 H PHE A 36 9.698 10.912 -9.711 1.00 0.00 H new ATOM 0 HA PHE A 36 11.491 9.080 -8.412 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.943 10.104 -7.960 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.608 8.453 -8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.424 10.537 -5.984 1.00 0.00 H new ATOM 0 HD2 PHE A 36 9.123 6.612 -7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.005 9.759 -3.728 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.699 5.831 -4.750 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.648 7.403 -3.107 1.00 0.00 H new