USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 662 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 8 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 9 ASN : amide:sc= -3.07! K(o=-3.1!,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ 144:sc= 0.9 (180deg=0.211) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0.488 (180deg=0.304) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= -0.818 (180deg=-0.818) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -169:sc= -0.384 (180deg=-0.623) USER MOD Single : A 28 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.13) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.135 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.374 K(o=0.37,f=-3.4!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.177 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.7) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0.628 (180deg=0.621) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.55) USER MOD Single : A 82 ASN : amide:sc= 0.173 X(o=0.17,f=-0.077) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 7 8.529 13.018 -4.924 1.00 0.00 N ATOM 98 CA LEU A 7 8.195 14.253 -5.647 1.00 0.00 C ATOM 99 C LEU A 7 9.438 15.163 -5.776 1.00 0.00 C ATOM 100 O LEU A 7 10.161 15.369 -4.796 1.00 0.00 O ATOM 101 CB LEU A 7 7.058 14.978 -4.882 1.00 0.00 C ATOM 102 CG LEU A 7 6.517 16.301 -5.517 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.944 16.042 -6.914 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.468 16.985 -4.603 1.00 0.00 C ATOM 0 HA LEU A 7 7.862 14.011 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.223 14.285 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.414 15.204 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 7 7.359 16.986 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.574 16.977 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.725 15.638 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.125 15.326 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.115 17.901 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.627 16.310 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.924 17.226 -3.643 1.00 0.00 H new ATOM 116 N ASN A 8 9.665 15.707 -6.983 1.00 0.00 N ATOM 117 CA ASN A 8 10.834 16.552 -7.284 1.00 0.00 C ATOM 118 C ASN A 8 10.426 17.673 -8.261 1.00 0.00 C ATOM 119 O ASN A 8 9.856 17.395 -9.323 1.00 0.00 O ATOM 120 CB ASN A 8 12.004 15.685 -7.843 1.00 0.00 C ATOM 121 CG ASN A 8 11.647 14.867 -9.090 1.00 0.00 C ATOM 122 OD1 ASN A 8 11.860 15.304 -10.217 1.00 0.00 O ATOM 123 ND2 ASN A 8 11.088 13.677 -8.894 1.00 0.00 N ATOM 0 H ASN A 8 9.042 15.573 -7.780 1.00 0.00 H new ATOM 0 HA ASN A 8 11.192 17.020 -6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.843 16.339 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.341 15.004 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.824 13.100 -9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.924 13.341 -7.945 1.00 0.00 H new ATOM 130 N ASN A 9 10.708 18.934 -7.859 1.00 0.00 N ATOM 131 CA ASN A 9 10.317 20.168 -8.584 1.00 0.00 C ATOM 132 C ASN A 9 8.804 20.165 -8.899 1.00 0.00 C ATOM 133 O ASN A 9 8.394 19.901 -10.038 1.00 0.00 O ATOM 134 CB ASN A 9 11.162 20.404 -9.874 1.00 0.00 C ATOM 135 CG ASN A 9 11.065 21.853 -10.375 1.00 0.00 C ATOM 136 OD1 ASN A 9 11.895 22.696 -10.039 1.00 0.00 O ATOM 137 ND2 ASN A 9 10.028 22.167 -11.135 1.00 0.00 N ATOM 0 H ASN A 9 11.226 19.127 -7.002 1.00 0.00 H new ATOM 0 HA ASN A 9 10.530 21.005 -7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.205 20.160 -9.672 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.822 19.727 -10.658 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.903 23.127 -11.456 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.354 21.449 -11.400 1.00 0.00 H new ATOM 144 N GLU A 10 8.006 20.452 -7.859 1.00 0.00 N ATOM 145 CA GLU A 10 6.531 20.353 -7.879 1.00 0.00 C ATOM 146 C GLU A 10 5.895 21.097 -9.071 1.00 0.00 C ATOM 147 O GLU A 10 4.973 20.571 -9.692 1.00 0.00 O ATOM 148 CB GLU A 10 5.971 20.872 -6.524 1.00 0.00 C ATOM 149 CG GLU A 10 4.451 20.687 -6.327 1.00 0.00 C ATOM 150 CD GLU A 10 3.989 21.046 -4.904 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.748 22.242 -4.630 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.888 20.138 -4.052 1.00 0.00 O ATOM 0 H GLU A 10 8.372 20.766 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 10 6.264 19.305 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.491 20.360 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.206 21.932 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.917 21.309 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.184 19.652 -6.541 1.00 0.00 H new ATOM 159 N GLU A 11 6.462 22.275 -9.414 1.00 0.00 N ATOM 160 CA GLU A 11 5.981 23.169 -10.502 1.00 0.00 C ATOM 161 C GLU A 11 5.797 22.444 -11.861 1.00 0.00 C ATOM 162 O GLU A 11 4.833 22.727 -12.589 1.00 0.00 O ATOM 163 CB GLU A 11 6.965 24.362 -10.657 1.00 0.00 C ATOM 164 CG GLU A 11 7.048 25.302 -9.432 1.00 0.00 C ATOM 165 CD GLU A 11 5.772 26.139 -9.229 1.00 0.00 C ATOM 166 OE1 GLU A 11 4.838 25.680 -8.536 1.00 0.00 O ATOM 167 OE2 GLU A 11 5.690 27.259 -9.788 1.00 0.00 O ATOM 0 H GLU A 11 7.284 22.642 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 11 4.992 23.524 -10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.960 23.968 -10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.668 24.948 -11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.233 24.708 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.900 25.971 -9.552 1.00 0.00 H new ATOM 174 N LYS A 12 6.715 21.506 -12.179 1.00 0.00 N ATOM 175 CA LYS A 12 6.648 20.683 -13.417 1.00 0.00 C ATOM 176 C LYS A 12 5.347 19.868 -13.454 1.00 0.00 C ATOM 177 O LYS A 12 4.637 19.829 -14.470 1.00 0.00 O ATOM 178 CB LYS A 12 7.873 19.717 -13.496 1.00 0.00 C ATOM 179 CG LYS A 12 9.231 20.410 -13.754 1.00 0.00 C ATOM 180 CD LYS A 12 9.323 21.063 -15.155 1.00 0.00 C ATOM 181 CE LYS A 12 9.308 20.027 -16.279 1.00 0.00 C ATOM 182 NZ LYS A 12 9.385 20.637 -17.629 1.00 0.00 N ATOM 0 H LYS A 12 7.522 21.295 -11.591 1.00 0.00 H new ATOM 0 HA LYS A 12 6.668 21.357 -14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.938 19.158 -12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.695 18.991 -14.290 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.393 21.173 -12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.032 19.678 -13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.489 21.752 -15.288 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.237 21.653 -15.219 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.146 19.343 -16.147 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.397 19.433 -16.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.952 20.028 -18.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.427 20.736 -18.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.830 21.574 -17.561 1.00 0.00 H new ATOM 196 N LEU A 13 5.047 19.262 -12.306 1.00 0.00 N ATOM 197 CA LEU A 13 3.900 18.368 -12.139 1.00 0.00 C ATOM 198 C LEU A 13 2.577 19.143 -12.056 1.00 0.00 C ATOM 199 O LEU A 13 1.541 18.654 -12.514 1.00 0.00 O ATOM 200 CB LEU A 13 4.094 17.490 -10.884 1.00 0.00 C ATOM 201 CG LEU A 13 5.352 16.550 -10.903 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.619 17.230 -10.345 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.068 15.215 -10.195 1.00 0.00 C ATOM 0 H LEU A 13 5.599 19.379 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 13 3.844 17.728 -13.020 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.163 18.142 -10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.204 16.874 -10.752 1.00 0.00 H new ATOM 0 HG LEU A 13 5.558 16.335 -11.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.454 16.531 -10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.854 18.110 -10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.446 17.531 -9.312 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.960 14.589 -10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.795 15.405 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.248 14.703 -10.698 1.00 0.00 H new ATOM 215 N VAL A 14 2.634 20.343 -11.463 1.00 0.00 N ATOM 216 CA VAL A 14 1.482 21.263 -11.376 1.00 0.00 C ATOM 217 C VAL A 14 1.006 21.625 -12.779 1.00 0.00 C ATOM 218 O VAL A 14 -0.156 21.406 -13.125 1.00 0.00 O ATOM 219 CB VAL A 14 1.844 22.580 -10.600 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.642 23.571 -10.538 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.365 22.248 -9.197 1.00 0.00 C ATOM 0 H VAL A 14 3.481 20.708 -11.027 1.00 0.00 H new ATOM 0 HA VAL A 14 0.692 20.751 -10.827 1.00 0.00 H new ATOM 0 HB VAL A 14 2.637 23.083 -11.153 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.937 24.467 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.343 23.844 -11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.196 23.095 -10.028 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.611 23.171 -8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.597 21.709 -8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.257 21.627 -9.278 1.00 0.00 H new ATOM 231 N LYS A 15 1.948 22.143 -13.586 1.00 0.00 N ATOM 232 CA LYS A 15 1.680 22.608 -14.948 1.00 0.00 C ATOM 233 C LYS A 15 1.276 21.450 -15.877 1.00 0.00 C ATOM 234 O LYS A 15 0.431 21.630 -16.761 1.00 0.00 O ATOM 235 CB LYS A 15 2.909 23.349 -15.506 1.00 0.00 C ATOM 236 CG LYS A 15 3.263 24.653 -14.753 1.00 0.00 C ATOM 237 CD LYS A 15 4.448 25.406 -15.402 1.00 0.00 C ATOM 238 CE LYS A 15 5.754 24.587 -15.401 1.00 0.00 C ATOM 239 NZ LYS A 15 6.844 25.286 -16.122 1.00 0.00 N ATOM 0 H LYS A 15 2.923 22.249 -13.304 1.00 0.00 H new ATOM 0 HA LYS A 15 0.838 23.298 -14.906 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.768 22.679 -15.473 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.730 23.586 -16.555 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.390 25.305 -14.731 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.510 24.416 -13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.189 25.665 -16.429 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.612 26.342 -14.869 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.062 24.396 -14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.575 23.617 -15.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.705 24.703 -16.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.560 25.446 -17.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.033 26.200 -15.664 1.00 0.00 H new ATOM 253 N LYS A 16 1.868 20.261 -15.659 1.00 0.00 N ATOM 254 CA LYS A 16 1.506 19.054 -16.424 1.00 0.00 C ATOM 255 C LYS A 16 0.086 18.587 -16.064 1.00 0.00 C ATOM 256 O LYS A 16 -0.624 18.050 -16.905 1.00 0.00 O ATOM 257 CB LYS A 16 2.514 17.907 -16.178 1.00 0.00 C ATOM 258 CG LYS A 16 2.332 16.682 -17.120 1.00 0.00 C ATOM 259 CD LYS A 16 2.518 17.042 -18.610 1.00 0.00 C ATOM 260 CE LYS A 16 3.957 17.494 -18.942 1.00 0.00 C ATOM 261 NZ LYS A 16 4.067 18.039 -20.320 1.00 0.00 N ATOM 0 H LYS A 16 2.597 20.111 -14.961 1.00 0.00 H new ATOM 0 HA LYS A 16 1.536 19.317 -17.481 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.525 18.296 -16.298 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.421 17.573 -15.145 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.049 15.908 -16.845 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.337 16.261 -16.974 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.263 16.177 -19.222 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.822 17.837 -18.876 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.273 18.253 -18.226 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.637 16.649 -18.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.070 18.140 -20.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.604 17.390 -20.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.604 18.969 -20.364 1.00 0.00 H new ATOM 275 N ALA A 17 -0.307 18.809 -14.804 1.00 0.00 N ATOM 276 CA ALA A 17 -1.663 18.504 -14.327 1.00 0.00 C ATOM 277 C ALA A 17 -2.660 19.540 -14.866 1.00 0.00 C ATOM 278 O ALA A 17 -3.839 19.238 -15.008 1.00 0.00 O ATOM 279 CB ALA A 17 -1.700 18.445 -12.797 1.00 0.00 C ATOM 0 H ALA A 17 0.303 19.204 -14.088 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.953 17.523 -14.703 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.713 18.218 -12.466 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.021 17.668 -12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.392 19.407 -12.388 1.00 0.00 H new ATOM 285 N LEU A 18 -2.170 20.766 -15.165 1.00 0.00 N ATOM 286 CA LEU A 18 -2.980 21.797 -15.850 1.00 0.00 C ATOM 287 C LEU A 18 -3.251 21.364 -17.299 1.00 0.00 C ATOM 288 O LEU A 18 -4.341 21.592 -17.829 1.00 0.00 O ATOM 289 CB LEU A 18 -2.298 23.202 -15.832 1.00 0.00 C ATOM 290 CG LEU A 18 -1.854 23.751 -14.434 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.326 25.204 -14.522 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.971 23.617 -13.384 1.00 0.00 C ATOM 0 H LEU A 18 -1.220 21.063 -14.943 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.920 21.889 -15.305 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.420 23.162 -16.476 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.987 23.920 -16.276 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.023 23.129 -14.102 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.029 25.544 -13.530 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.465 25.238 -15.190 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.111 25.854 -14.909 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.622 24.009 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.846 24.180 -13.709 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.238 22.566 -13.269 1.00 0.00 H new ATOM 304 N GLU A 19 -2.231 20.736 -17.926 1.00 0.00 N ATOM 305 CA GLU A 19 -2.332 20.199 -19.294 1.00 0.00 C ATOM 306 C GLU A 19 -3.319 19.016 -19.358 1.00 0.00 C ATOM 307 O GLU A 19 -4.308 19.080 -20.083 1.00 0.00 O ATOM 308 CB GLU A 19 -0.934 19.760 -19.810 1.00 0.00 C ATOM 309 CG GLU A 19 0.093 20.906 -19.913 1.00 0.00 C ATOM 310 CD GLU A 19 1.475 20.447 -20.405 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.613 20.104 -21.602 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.423 20.401 -19.598 1.00 0.00 O ATOM 0 H GLU A 19 -1.318 20.589 -17.495 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.712 20.993 -19.937 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.539 18.992 -19.145 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.050 19.302 -20.792 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.291 21.668 -20.591 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.201 21.375 -18.935 1.00 0.00 H new ATOM 319 N ILE A 20 -3.035 17.957 -18.578 1.00 0.00 N ATOM 320 CA ILE A 20 -3.820 16.708 -18.572 1.00 0.00 C ATOM 321 C ILE A 20 -5.219 16.937 -17.974 1.00 0.00 C ATOM 322 O ILE A 20 -6.212 16.557 -18.582 1.00 0.00 O ATOM 323 CB ILE A 20 -3.063 15.551 -17.809 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.629 15.333 -18.410 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.873 14.225 -17.826 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.599 14.949 -19.884 1.00 0.00 C ATOM 0 H ILE A 20 -2.248 17.944 -17.929 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.942 16.394 -19.609 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.959 15.859 -16.769 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.053 16.249 -18.277 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.126 14.554 -17.837 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.319 13.453 -17.291 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.837 14.381 -17.342 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.032 13.909 -18.857 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.565 14.821 -20.206 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.142 14.015 -20.028 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.068 15.736 -20.475 1.00 0.00 H new ATOM 338 N GLY A 21 -5.278 17.584 -16.802 1.00 0.00 N ATOM 339 CA GLY A 21 -6.554 17.919 -16.155 1.00 0.00 C ATOM 340 C GLY A 21 -7.389 18.897 -16.981 1.00 0.00 C ATOM 341 O GLY A 21 -8.617 18.797 -17.011 1.00 0.00 O ATOM 0 H GLY A 21 -4.455 17.886 -16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.126 17.006 -15.992 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.358 18.352 -15.174 1.00 0.00 H new ATOM 345 N GLY A 22 -6.699 19.838 -17.660 1.00 0.00 N ATOM 346 CA GLY A 22 -7.348 20.807 -18.548 1.00 0.00 C ATOM 347 C GLY A 22 -7.974 20.166 -19.782 1.00 0.00 C ATOM 348 O GLY A 22 -9.127 20.464 -20.117 1.00 0.00 O ATOM 0 H GLY A 22 -5.686 19.941 -17.604 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.120 21.339 -17.992 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.614 21.548 -18.864 1.00 0.00 H new ATOM 352 N LYS A 23 -7.220 19.269 -20.454 1.00 0.00 N ATOM 353 CA LYS A 23 -7.683 18.610 -21.698 1.00 0.00 C ATOM 354 C LYS A 23 -8.778 17.578 -21.392 1.00 0.00 C ATOM 355 O LYS A 23 -9.738 17.445 -22.158 1.00 0.00 O ATOM 356 CB LYS A 23 -6.494 17.995 -22.520 1.00 0.00 C ATOM 357 CG LYS A 23 -5.648 16.866 -21.850 1.00 0.00 C ATOM 358 CD LYS A 23 -6.191 15.432 -22.068 1.00 0.00 C ATOM 359 CE LYS A 23 -5.283 14.358 -21.439 1.00 0.00 C ATOM 360 NZ LYS A 23 -5.811 12.991 -21.653 1.00 0.00 N ATOM 0 H LYS A 23 -6.287 18.984 -20.157 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.124 19.376 -22.336 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.900 17.600 -23.451 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.817 18.807 -22.787 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.630 16.917 -22.236 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.593 17.060 -20.779 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.190 15.356 -21.639 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.288 15.242 -23.137 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.284 14.432 -21.868 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.186 14.546 -20.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.171 12.299 -21.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.754 12.912 -21.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.880 12.801 -22.673 1.00 0.00 H new ATOM 374 N MET A 24 -8.640 16.875 -20.248 1.00 0.00 N ATOM 375 CA MET A 24 -9.645 15.905 -19.779 1.00 0.00 C ATOM 376 C MET A 24 -10.974 16.618 -19.508 1.00 0.00 C ATOM 377 O MET A 24 -11.997 16.208 -20.043 1.00 0.00 O ATOM 378 CB MET A 24 -9.169 15.144 -18.508 1.00 0.00 C ATOM 379 CG MET A 24 -8.098 14.069 -18.760 1.00 0.00 C ATOM 380 SD MET A 24 -7.900 12.910 -17.383 1.00 0.00 S ATOM 381 CE MET A 24 -8.021 13.992 -15.960 1.00 0.00 C ATOM 0 H MET A 24 -7.834 16.965 -19.629 1.00 0.00 H new ATOM 0 HA MET A 24 -9.786 15.165 -20.567 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.775 15.868 -17.795 1.00 0.00 H new ATOM 0 HB3 MET A 24 -10.033 14.673 -18.040 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.359 13.511 -19.659 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.143 14.557 -18.954 1.00 0.00 H new ATOM 0 HE1 MET A 24 -7.916 13.406 -15.047 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.230 14.741 -16.004 1.00 0.00 H new ATOM 0 HE3 MET A 24 -8.991 14.489 -15.962 1.00 0.00 H new ATOM 391 N ALA A 25 -10.917 17.721 -18.725 1.00 0.00 N ATOM 392 CA ALA A 25 -12.088 18.560 -18.398 1.00 0.00 C ATOM 393 C ALA A 25 -12.808 19.015 -19.664 1.00 0.00 C ATOM 394 O ALA A 25 -14.010 18.778 -19.824 1.00 0.00 O ATOM 395 CB ALA A 25 -11.660 19.776 -17.549 1.00 0.00 C ATOM 0 H ALA A 25 -10.051 18.053 -18.301 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.784 17.957 -17.815 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.535 20.384 -17.317 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.202 19.430 -16.622 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.940 20.374 -18.108 1.00 0.00 H new ATOM 401 N LYS A 26 -12.015 19.604 -20.568 1.00 0.00 N ATOM 402 CA LYS A 26 -12.471 20.137 -21.860 1.00 0.00 C ATOM 403 C LYS A 26 -13.336 19.110 -22.613 1.00 0.00 C ATOM 404 O LYS A 26 -14.532 19.357 -22.846 1.00 0.00 O ATOM 405 CB LYS A 26 -11.229 20.548 -22.698 1.00 0.00 C ATOM 406 CG LYS A 26 -11.538 21.181 -24.079 1.00 0.00 C ATOM 407 CD LYS A 26 -10.257 21.622 -24.836 1.00 0.00 C ATOM 408 CE LYS A 26 -9.405 22.641 -24.047 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.259 23.143 -24.843 1.00 0.00 N ATOM 0 H LYS A 26 -11.014 19.727 -20.418 1.00 0.00 H new ATOM 0 HA LYS A 26 -13.098 21.012 -21.689 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.638 21.256 -22.117 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.608 19.666 -22.853 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.086 20.463 -24.689 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.189 22.044 -23.941 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.651 20.743 -25.054 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.541 22.059 -25.793 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.032 23.480 -23.745 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.035 22.174 -23.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.714 23.824 -24.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.646 22.346 -25.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.612 23.612 -25.702 1.00 0.00 H new ATOM 423 N MET A 27 -12.737 17.926 -22.860 1.00 0.00 N ATOM 424 CA MET A 27 -13.345 16.835 -23.650 1.00 0.00 C ATOM 425 C MET A 27 -14.550 16.185 -22.931 1.00 0.00 C ATOM 426 O MET A 27 -15.493 15.733 -23.595 1.00 0.00 O ATOM 427 CB MET A 27 -12.285 15.758 -23.970 1.00 0.00 C ATOM 428 CG MET A 27 -11.104 16.254 -24.824 1.00 0.00 C ATOM 429 SD MET A 27 -9.910 14.952 -25.214 1.00 0.00 S ATOM 430 CE MET A 27 -9.427 14.374 -23.584 1.00 0.00 C ATOM 0 H MET A 27 -11.806 17.698 -22.512 1.00 0.00 H new ATOM 0 HA MET A 27 -13.716 17.278 -24.574 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.896 15.360 -23.033 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.771 14.932 -24.490 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.488 16.676 -25.753 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.594 17.059 -24.295 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.562 13.717 -23.673 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.171 15.228 -22.956 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.254 13.826 -23.132 1.00 0.00 H new ATOM 440 N GLN A 28 -14.500 16.131 -21.579 1.00 0.00 N ATOM 441 CA GLN A 28 -15.629 15.642 -20.745 1.00 0.00 C ATOM 442 C GLN A 28 -16.822 16.610 -20.841 1.00 0.00 C ATOM 443 O GLN A 28 -17.977 16.212 -20.653 1.00 0.00 O ATOM 444 CB GLN A 28 -15.204 15.453 -19.255 1.00 0.00 C ATOM 445 CG GLN A 28 -14.199 14.306 -18.988 1.00 0.00 C ATOM 446 CD GLN A 28 -14.682 12.938 -19.483 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.355 12.201 -18.764 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.341 12.586 -20.710 1.00 0.00 N ATOM 0 H GLN A 28 -13.686 16.421 -21.038 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.928 14.667 -21.131 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.767 16.386 -18.899 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.100 15.274 -18.660 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.252 14.544 -19.472 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.004 14.247 -17.917 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.782 13.217 -21.285 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.637 11.684 -21.082 1.00 0.00 H new ATOM 457 N GLY A 29 -16.515 17.883 -21.135 1.00 0.00 N ATOM 458 CA GLY A 29 -17.519 18.913 -21.369 1.00 0.00 C ATOM 459 C GLY A 29 -17.385 20.040 -20.378 1.00 0.00 C ATOM 460 O GLY A 29 -18.347 20.378 -19.679 1.00 0.00 O ATOM 0 H GLY A 29 -15.556 18.221 -21.216 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.416 19.302 -22.382 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.515 18.477 -21.295 1.00 0.00 H new ATOM 464 N PHE A 30 -16.176 20.621 -20.306 1.00 0.00 N ATOM 465 CA PHE A 30 -15.877 21.755 -19.388 1.00 0.00 C ATOM 466 C PHE A 30 -15.018 22.807 -20.104 1.00 0.00 C ATOM 467 O PHE A 30 -14.564 22.605 -21.238 1.00 0.00 O ATOM 468 CB PHE A 30 -15.143 21.281 -18.091 1.00 0.00 C ATOM 469 CG PHE A 30 -15.968 20.384 -17.158 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.790 20.940 -16.177 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.906 18.989 -17.252 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.527 20.135 -15.327 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.643 18.187 -16.400 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.451 18.760 -15.438 1.00 0.00 C ATOM 0 H PHE A 30 -15.380 20.329 -20.872 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.832 22.192 -19.096 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.241 20.742 -18.381 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.824 22.161 -17.533 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.852 22.014 -16.080 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.274 18.533 -18.000 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.162 20.582 -14.576 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.587 17.112 -16.487 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.024 18.133 -14.772 1.00 0.00 H new ATOM 484 N ASP A 31 -14.809 23.936 -19.415 1.00 0.00 N ATOM 485 CA ASP A 31 -13.927 25.010 -19.859 1.00 0.00 C ATOM 486 C ASP A 31 -13.271 25.627 -18.621 1.00 0.00 C ATOM 487 O ASP A 31 -13.912 26.379 -17.877 1.00 0.00 O ATOM 488 CB ASP A 31 -14.719 26.068 -20.678 1.00 0.00 C ATOM 489 CG ASP A 31 -13.834 27.216 -21.193 1.00 0.00 C ATOM 490 OD1 ASP A 31 -13.118 27.022 -22.198 1.00 0.00 O ATOM 491 OD2 ASP A 31 -13.839 28.310 -20.593 1.00 0.00 O ATOM 0 H ASP A 31 -15.258 24.127 -18.519 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.154 24.618 -20.520 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.199 25.578 -21.525 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.514 26.480 -20.056 1.00 0.00 H new ATOM 496 N LEU A 32 -12.017 25.225 -18.356 1.00 0.00 N ATOM 497 CA LEU A 32 -11.211 25.792 -17.265 1.00 0.00 C ATOM 498 C LEU A 32 -10.591 27.121 -17.748 1.00 0.00 C ATOM 499 O LEU A 32 -10.224 27.218 -18.926 1.00 0.00 O ATOM 500 CB LEU A 32 -10.109 24.787 -16.821 1.00 0.00 C ATOM 501 CG LEU A 32 -10.611 23.368 -16.373 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.438 22.498 -15.871 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.733 23.458 -15.304 1.00 0.00 C ATOM 0 H LEU A 32 -11.536 24.501 -18.890 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.843 25.984 -16.398 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.408 24.659 -17.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.552 25.231 -15.996 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.041 22.888 -17.252 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.814 21.521 -15.567 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.709 22.373 -16.672 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.962 22.985 -15.020 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.050 22.453 -15.024 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.356 23.979 -14.424 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.582 24.005 -15.713 1.00 0.00 H new ATOM 515 N PRO A 33 -10.477 28.164 -16.868 1.00 0.00 N ATOM 516 CA PRO A 33 -9.961 29.494 -17.274 1.00 0.00 C ATOM 517 C PRO A 33 -8.462 29.476 -17.655 1.00 0.00 C ATOM 518 O PRO A 33 -7.684 28.668 -17.140 1.00 0.00 O ATOM 519 CB PRO A 33 -10.218 30.369 -16.011 1.00 0.00 C ATOM 520 CG PRO A 33 -10.196 29.398 -14.872 1.00 0.00 C ATOM 521 CD PRO A 33 -10.842 28.143 -15.418 1.00 0.00 C ATOM 0 HA PRO A 33 -10.451 29.866 -18.174 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.450 31.134 -15.895 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.176 30.885 -16.074 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.177 29.204 -14.538 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.745 29.784 -14.013 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.464 27.249 -14.922 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.923 28.154 -15.276 1.00 0.00 H new ATOM 529 N GLN A 34 -8.096 30.350 -18.604 1.00 0.00 N ATOM 530 CA GLN A 34 -6.700 30.701 -18.925 1.00 0.00 C ATOM 531 C GLN A 34 -6.304 32.000 -18.155 1.00 0.00 C ATOM 532 O GLN A 34 -5.203 32.540 -18.313 1.00 0.00 O ATOM 533 CB GLN A 34 -6.557 30.877 -20.467 1.00 0.00 C ATOM 534 CG GLN A 34 -5.104 31.014 -20.971 1.00 0.00 C ATOM 535 CD GLN A 34 -4.973 31.194 -22.484 1.00 0.00 C ATOM 536 OE1 GLN A 34 -5.861 31.732 -23.144 1.00 0.00 O ATOM 537 NE2 GLN A 34 -3.849 30.781 -23.042 1.00 0.00 N ATOM 0 H GLN A 34 -8.775 30.844 -19.183 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.024 29.906 -18.612 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.019 30.022 -20.961 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.117 31.761 -20.771 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.639 31.866 -20.475 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.544 30.127 -20.673 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.129 30.338 -22.471 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.701 30.905 -24.044 1.00 0.00 H new ATOM 546 N SER A 35 -7.247 32.477 -17.310 1.00 0.00 N ATOM 547 CA SER A 35 -7.074 33.602 -16.367 1.00 0.00 C ATOM 548 C SER A 35 -5.813 33.397 -15.453 1.00 0.00 C ATOM 549 O SER A 35 -5.408 32.255 -15.285 1.00 0.00 O ATOM 550 CB SER A 35 -8.393 33.696 -15.555 1.00 0.00 C ATOM 551 OG SER A 35 -9.518 33.850 -16.411 1.00 0.00 O ATOM 0 H SER A 35 -8.183 32.073 -17.266 1.00 0.00 H new ATOM 0 HA SER A 35 -6.889 34.538 -16.893 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.514 32.798 -14.950 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.339 34.539 -14.867 1.00 0.00 H new ATOM 0 HG SER A 35 -10.334 33.905 -15.872 1.00 0.00 H new ATOM 557 N PRO A 36 -5.252 34.487 -14.786 1.00 0.00 N ATOM 558 CA PRO A 36 -3.868 34.568 -14.231 1.00 0.00 C ATOM 559 C PRO A 36 -3.082 33.225 -14.043 1.00 0.00 C ATOM 560 O PRO A 36 -2.527 32.701 -15.016 1.00 0.00 O ATOM 561 CB PRO A 36 -4.104 35.324 -12.900 1.00 0.00 C ATOM 562 CG PRO A 36 -5.311 36.201 -13.141 1.00 0.00 C ATOM 563 CD PRO A 36 -5.949 35.759 -14.457 1.00 0.00 C ATOM 0 HA PRO A 36 -3.197 35.059 -14.936 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.282 34.628 -12.080 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.233 35.921 -12.628 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.022 36.107 -12.320 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.018 37.250 -13.191 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.023 35.609 -14.349 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.808 36.505 -15.239 1.00 0.00 H new ATOM 571 N GLN A 37 -3.052 32.662 -12.805 1.00 0.00 N ATOM 572 CA GLN A 37 -2.293 31.419 -12.477 1.00 0.00 C ATOM 573 C GLN A 37 -3.062 30.549 -11.434 1.00 0.00 C ATOM 574 O GLN A 37 -3.417 29.412 -11.765 1.00 0.00 O ATOM 575 CB GLN A 37 -0.835 31.713 -11.973 1.00 0.00 C ATOM 576 CG GLN A 37 0.103 32.407 -12.979 1.00 0.00 C ATOM 577 CD GLN A 37 1.483 32.706 -12.390 1.00 0.00 C ATOM 578 OE1 GLN A 37 1.713 33.772 -11.813 1.00 0.00 O ATOM 579 NE2 GLN A 37 2.405 31.766 -12.514 1.00 0.00 N ATOM 0 H GLN A 37 -3.551 33.054 -12.007 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.205 30.859 -13.408 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.900 32.334 -11.080 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.379 30.770 -11.673 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.217 31.774 -13.859 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.354 33.338 -13.313 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.184 30.895 -12.997 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.337 31.912 -12.127 1.00 0.00 H new ATOM 588 N PRO A 38 -3.367 31.049 -10.159 1.00 0.00 N ATOM 589 CA PRO A 38 -3.944 30.176 -9.087 1.00 0.00 C ATOM 590 C PRO A 38 -5.383 29.730 -9.399 1.00 0.00 C ATOM 591 O PRO A 38 -5.844 28.701 -8.905 1.00 0.00 O ATOM 592 CB PRO A 38 -3.887 31.073 -7.825 1.00 0.00 C ATOM 593 CG PRO A 38 -4.007 32.468 -8.358 1.00 0.00 C ATOM 594 CD PRO A 38 -3.230 32.464 -9.663 1.00 0.00 C ATOM 0 HA PRO A 38 -3.394 29.242 -8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.697 30.840 -7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.953 30.934 -7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.050 32.739 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.596 33.194 -7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.641 33.179 -10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.185 32.734 -9.507 1.00 0.00 H new ATOM 602 N VAL A 39 -6.069 30.531 -10.233 1.00 0.00 N ATOM 603 CA VAL A 39 -7.423 30.236 -10.726 1.00 0.00 C ATOM 604 C VAL A 39 -7.427 28.983 -11.623 1.00 0.00 C ATOM 605 O VAL A 39 -8.371 28.203 -11.577 1.00 0.00 O ATOM 606 CB VAL A 39 -8.015 31.475 -11.500 1.00 0.00 C ATOM 607 CG1 VAL A 39 -8.371 32.630 -10.532 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.035 31.962 -12.583 1.00 0.00 C ATOM 0 H VAL A 39 -5.693 31.411 -10.587 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.057 30.033 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.935 31.150 -11.986 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.776 33.468 -11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.114 32.286 -9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.474 32.950 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.465 32.818 -13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.094 32.256 -12.117 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.851 31.158 -13.296 1.00 0.00 H new ATOM 618 N ARG A 40 -6.345 28.794 -12.412 1.00 0.00 N ATOM 619 CA ARG A 40 -6.189 27.626 -13.310 1.00 0.00 C ATOM 620 C ARG A 40 -5.840 26.382 -12.490 1.00 0.00 C ATOM 621 O ARG A 40 -6.427 25.313 -12.685 1.00 0.00 O ATOM 622 CB ARG A 40 -5.067 27.869 -14.356 1.00 0.00 C ATOM 623 CG ARG A 40 -5.211 29.175 -15.154 1.00 0.00 C ATOM 624 CD ARG A 40 -4.096 29.373 -16.197 1.00 0.00 C ATOM 625 NE ARG A 40 -4.110 28.320 -17.230 1.00 0.00 N ATOM 626 CZ ARG A 40 -3.201 28.184 -18.213 1.00 0.00 C ATOM 627 NH1 ARG A 40 -2.200 29.050 -18.345 1.00 0.00 N ATOM 628 NH2 ARG A 40 -3.297 27.165 -19.056 1.00 0.00 N ATOM 0 H ARG A 40 -5.559 29.443 -12.445 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.134 27.479 -13.834 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.105 27.876 -13.843 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.051 27.032 -15.054 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.177 29.180 -15.659 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.207 30.018 -14.463 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.213 30.347 -16.671 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.128 29.376 -15.696 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.870 27.640 -17.197 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.113 29.832 -17.696 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.520 28.932 -19.096 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.056 26.491 -18.957 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.612 27.055 -19.804 1.00 0.00 H new ATOM 642 N VAL A 41 -4.870 26.560 -11.572 1.00 0.00 N ATOM 643 CA VAL A 41 -4.362 25.497 -10.687 1.00 0.00 C ATOM 644 C VAL A 41 -5.506 24.900 -9.839 1.00 0.00 C ATOM 645 O VAL A 41 -5.701 23.667 -9.797 1.00 0.00 O ATOM 646 CB VAL A 41 -3.180 26.060 -9.789 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.658 25.020 -8.772 1.00 0.00 C ATOM 648 CG2 VAL A 41 -2.019 26.570 -10.685 1.00 0.00 C ATOM 0 H VAL A 41 -4.412 27.459 -11.423 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.960 24.685 -11.293 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.586 26.891 -9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.851 25.458 -8.185 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.469 24.722 -8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.285 24.145 -9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.215 26.953 -10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.642 25.749 -11.295 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.383 27.367 -11.334 1.00 0.00 H new ATOM 658 N LYS A 42 -6.309 25.791 -9.237 1.00 0.00 N ATOM 659 CA LYS A 42 -7.444 25.389 -8.408 1.00 0.00 C ATOM 660 C LYS A 42 -8.607 24.854 -9.275 1.00 0.00 C ATOM 661 O LYS A 42 -9.305 23.950 -8.845 1.00 0.00 O ATOM 662 CB LYS A 42 -7.963 26.548 -7.537 1.00 0.00 C ATOM 663 CG LYS A 42 -9.035 26.097 -6.503 1.00 0.00 C ATOM 664 CD LYS A 42 -9.942 27.243 -6.041 1.00 0.00 C ATOM 665 CE LYS A 42 -9.168 28.376 -5.345 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.073 29.441 -4.842 1.00 0.00 N ATOM 0 H LYS A 42 -6.187 26.801 -9.313 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.080 24.596 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.125 27.002 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.388 27.318 -8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.648 25.311 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.536 25.664 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.474 27.648 -6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.695 26.851 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.594 27.966 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.452 28.809 -6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.511 30.184 -4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.603 29.851 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.740 29.034 -4.155 1.00 0.00 H new ATOM 680 N ALA A 43 -8.828 25.443 -10.478 1.00 0.00 N ATOM 681 CA ALA A 43 -9.860 24.951 -11.441 1.00 0.00 C ATOM 682 C ALA A 43 -9.655 23.463 -11.779 1.00 0.00 C ATOM 683 O ALA A 43 -10.619 22.680 -11.820 1.00 0.00 O ATOM 684 CB ALA A 43 -9.856 25.781 -12.734 1.00 0.00 C ATOM 0 H ALA A 43 -8.310 26.257 -10.808 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.828 25.065 -10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.617 25.399 -13.414 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.071 26.823 -12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.877 25.711 -13.209 1.00 0.00 H new ATOM 690 N VAL A 44 -8.384 23.095 -12.002 1.00 0.00 N ATOM 691 CA VAL A 44 -7.977 21.708 -12.255 1.00 0.00 C ATOM 692 C VAL A 44 -8.202 20.843 -11.002 1.00 0.00 C ATOM 693 O VAL A 44 -8.691 19.726 -11.123 1.00 0.00 O ATOM 694 CB VAL A 44 -6.478 21.628 -12.731 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.994 20.165 -12.893 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.296 22.409 -14.055 1.00 0.00 C ATOM 0 H VAL A 44 -7.607 23.756 -12.012 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.599 21.317 -13.060 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.863 22.086 -11.956 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.955 20.160 -13.223 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.074 19.647 -11.937 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.612 19.657 -13.633 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.256 22.347 -14.374 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.938 21.978 -14.823 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.566 23.454 -13.901 1.00 0.00 H new ATOM 706 N TYR A 45 -7.872 21.387 -9.813 1.00 0.00 N ATOM 707 CA TYR A 45 -8.105 20.701 -8.518 1.00 0.00 C ATOM 708 C TYR A 45 -9.594 20.349 -8.333 1.00 0.00 C ATOM 709 O TYR A 45 -9.927 19.194 -8.070 1.00 0.00 O ATOM 710 CB TYR A 45 -7.585 21.594 -7.358 1.00 0.00 C ATOM 711 CG TYR A 45 -8.175 21.309 -5.959 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.669 20.295 -5.143 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.243 22.073 -5.469 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.216 20.051 -3.898 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.785 21.829 -4.234 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.272 20.826 -3.453 1.00 0.00 C ATOM 717 OH TYR A 45 -9.823 20.590 -2.223 1.00 0.00 O ATOM 0 H TYR A 45 -7.440 22.306 -9.719 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.554 19.761 -8.511 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.502 21.485 -7.301 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.788 22.635 -7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.841 19.695 -5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.647 22.870 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.822 19.261 -3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.613 22.424 -3.878 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.554 21.224 -2.065 1.00 0.00 H new ATOM 727 N LEU A 46 -10.464 21.370 -8.485 1.00 0.00 N ATOM 728 CA LEU A 46 -11.926 21.256 -8.331 1.00 0.00 C ATOM 729 C LEU A 46 -12.489 20.186 -9.279 1.00 0.00 C ATOM 730 O LEU A 46 -13.256 19.301 -8.854 1.00 0.00 O ATOM 731 CB LEU A 46 -12.598 22.640 -8.586 1.00 0.00 C ATOM 732 CG LEU A 46 -12.286 23.758 -7.535 1.00 0.00 C ATOM 733 CD1 LEU A 46 -12.895 25.118 -7.955 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.752 23.348 -6.115 1.00 0.00 C ATOM 0 H LEU A 46 -10.161 22.315 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.150 20.946 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.289 22.996 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.678 22.496 -8.624 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.203 23.879 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.659 25.870 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.479 25.422 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -13.977 25.020 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.520 24.147 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.828 23.172 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.237 22.436 -5.812 1.00 0.00 H new ATOM 746 N PHE A 47 -12.038 20.262 -10.549 1.00 0.00 N ATOM 747 CA PHE A 47 -12.360 19.267 -11.579 1.00 0.00 C ATOM 748 C PHE A 47 -11.960 17.847 -11.121 1.00 0.00 C ATOM 749 O PHE A 47 -12.790 16.951 -11.148 1.00 0.00 O ATOM 750 CB PHE A 47 -11.673 19.633 -12.940 1.00 0.00 C ATOM 751 CG PHE A 47 -11.579 18.458 -13.936 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.729 17.872 -14.477 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.341 17.911 -14.277 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.639 16.780 -15.324 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.254 16.829 -15.128 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.401 16.259 -15.650 1.00 0.00 C ATOM 0 H PHE A 47 -11.440 21.018 -10.883 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.439 19.276 -11.732 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.227 20.447 -13.407 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.669 20.006 -12.739 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.700 18.277 -14.231 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.438 18.341 -13.869 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.536 16.336 -15.730 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.287 16.425 -15.388 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.329 15.408 -16.311 1.00 0.00 H new ATOM 766 N LEU A 48 -10.695 17.679 -10.689 1.00 0.00 N ATOM 767 CA LEU A 48 -10.115 16.363 -10.348 1.00 0.00 C ATOM 768 C LEU A 48 -10.781 15.727 -9.112 1.00 0.00 C ATOM 769 O LEU A 48 -10.961 14.515 -9.078 1.00 0.00 O ATOM 770 CB LEU A 48 -8.582 16.456 -10.135 1.00 0.00 C ATOM 771 CG LEU A 48 -7.707 16.771 -11.391 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.216 16.852 -11.010 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.938 15.747 -12.523 1.00 0.00 C ATOM 0 H LEU A 48 -10.044 18.454 -10.566 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.313 15.715 -11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.390 17.226 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.241 15.510 -9.714 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.016 17.744 -11.772 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.625 17.072 -11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.071 17.642 -10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.896 15.899 -10.588 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.311 16.002 -13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.680 14.749 -12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.986 15.766 -12.823 1.00 0.00 H new ATOM 785 N VAL A 49 -11.142 16.540 -8.101 1.00 0.00 N ATOM 786 CA VAL A 49 -11.841 16.030 -6.899 1.00 0.00 C ATOM 787 C VAL A 49 -13.226 15.490 -7.302 1.00 0.00 C ATOM 788 O VAL A 49 -13.608 14.376 -6.924 1.00 0.00 O ATOM 789 CB VAL A 49 -11.992 17.115 -5.767 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.776 16.557 -4.550 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.615 17.657 -5.318 1.00 0.00 C ATOM 0 H VAL A 49 -10.965 17.544 -8.089 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.228 15.230 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.562 17.942 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.862 17.331 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.772 16.249 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.245 15.699 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.755 18.404 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.009 16.837 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.109 18.113 -6.169 1.00 0.00 H new ATOM 801 N ASP A 50 -13.944 16.288 -8.110 1.00 0.00 N ATOM 802 CA ASP A 50 -15.251 15.903 -8.678 1.00 0.00 C ATOM 803 C ASP A 50 -15.114 14.730 -9.687 1.00 0.00 C ATOM 804 O ASP A 50 -16.042 13.935 -9.844 1.00 0.00 O ATOM 805 CB ASP A 50 -15.919 17.142 -9.338 1.00 0.00 C ATOM 806 CG ASP A 50 -16.472 18.165 -8.320 1.00 0.00 C ATOM 807 OD1 ASP A 50 -15.709 18.643 -7.454 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.675 18.509 -8.385 1.00 0.00 O ATOM 0 H ASP A 50 -13.636 17.219 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.889 15.548 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.190 17.638 -9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.733 16.806 -9.981 1.00 0.00 H new ATOM 813 N ALA A 51 -13.931 14.614 -10.325 1.00 0.00 N ATOM 814 CA ALA A 51 -13.623 13.544 -11.306 1.00 0.00 C ATOM 815 C ALA A 51 -13.133 12.262 -10.599 1.00 0.00 C ATOM 816 O ALA A 51 -12.734 11.302 -11.271 1.00 0.00 O ATOM 817 CB ALA A 51 -12.571 14.031 -12.326 1.00 0.00 C ATOM 0 H ALA A 51 -13.157 15.261 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.543 13.304 -11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.358 13.233 -13.037 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.957 14.900 -12.860 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.655 14.304 -11.802 1.00 0.00 H new ATOM 823 N LYS A 52 -13.155 12.282 -9.237 1.00 0.00 N ATOM 824 CA LYS A 52 -12.827 11.126 -8.364 1.00 0.00 C ATOM 825 C LYS A 52 -11.337 10.725 -8.486 1.00 0.00 C ATOM 826 O LYS A 52 -10.956 9.586 -8.203 1.00 0.00 O ATOM 827 CB LYS A 52 -13.785 9.920 -8.642 1.00 0.00 C ATOM 828 CG LYS A 52 -15.299 10.265 -8.583 1.00 0.00 C ATOM 829 CD LYS A 52 -15.756 10.829 -7.218 1.00 0.00 C ATOM 830 CE LYS A 52 -15.612 9.816 -6.071 1.00 0.00 C ATOM 831 NZ LYS A 52 -16.041 10.392 -4.779 1.00 0.00 N ATOM 0 H LYS A 52 -13.406 13.118 -8.709 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.986 11.434 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.557 9.513 -9.627 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.577 9.134 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.527 10.993 -9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.876 9.368 -8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.172 11.719 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.798 11.142 -7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.208 8.930 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.574 9.492 -5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.930 9.681 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.456 11.223 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.039 10.678 -4.841 1.00 0.00 H new ATOM 845 N GLN A 53 -10.510 11.704 -8.872 1.00 0.00 N ATOM 846 CA GLN A 53 -9.062 11.546 -9.054 1.00 0.00 C ATOM 847 C GLN A 53 -8.319 11.792 -7.724 1.00 0.00 C ATOM 848 O GLN A 53 -7.534 10.946 -7.282 1.00 0.00 O ATOM 849 CB GLN A 53 -8.569 12.531 -10.153 1.00 0.00 C ATOM 850 CG GLN A 53 -9.216 12.320 -11.544 1.00 0.00 C ATOM 851 CD GLN A 53 -8.916 10.956 -12.178 1.00 0.00 C ATOM 852 OE1 GLN A 53 -7.862 10.354 -11.952 1.00 0.00 O ATOM 853 NE2 GLN A 53 -9.837 10.460 -12.981 1.00 0.00 N ATOM 0 H GLN A 53 -10.836 12.650 -9.071 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.849 10.525 -9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.769 13.551 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.488 12.434 -10.251 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.296 12.435 -11.451 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.869 13.105 -12.216 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.699 10.979 -13.150 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.687 9.558 -13.433 1.00 0.00 H new ATOM 862 N ILE A 54 -8.589 12.953 -7.085 1.00 0.00 N ATOM 863 CA ILE A 54 -7.912 13.373 -5.820 1.00 0.00 C ATOM 864 C ILE A 54 -8.941 13.706 -4.718 1.00 0.00 C ATOM 865 O ILE A 54 -10.136 13.866 -4.997 1.00 0.00 O ATOM 866 CB ILE A 54 -6.955 14.614 -6.043 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.740 15.808 -6.675 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.728 14.222 -6.901 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.931 17.075 -6.903 1.00 0.00 C ATOM 0 H ILE A 54 -9.276 13.627 -7.423 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.306 12.526 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.582 14.938 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.152 15.484 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.584 16.048 -6.029 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.087 15.093 -7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.167 13.435 -6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.064 13.861 -7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.570 17.840 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.541 17.434 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.102 16.861 -7.578 1.00 0.00 H new ATOM 881 N ALA A 55 -8.439 13.826 -3.473 1.00 0.00 N ATOM 882 CA ALA A 55 -9.252 14.083 -2.267 1.00 0.00 C ATOM 883 C ALA A 55 -9.334 15.612 -1.966 1.00 0.00 C ATOM 884 O ALA A 55 -8.376 16.348 -2.258 1.00 0.00 O ATOM 885 CB ALA A 55 -8.646 13.303 -1.082 1.00 0.00 C ATOM 0 H ALA A 55 -7.442 13.746 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.273 13.739 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.238 13.485 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.649 12.237 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.622 13.635 -0.914 1.00 0.00 H new ATOM 891 N PRO A 56 -10.483 16.113 -1.374 1.00 0.00 N ATOM 892 CA PRO A 56 -10.697 17.558 -1.123 1.00 0.00 C ATOM 893 C PRO A 56 -9.979 18.075 0.151 1.00 0.00 C ATOM 894 O PRO A 56 -10.210 17.589 1.266 1.00 0.00 O ATOM 895 CB PRO A 56 -12.236 17.655 -0.986 1.00 0.00 C ATOM 896 CG PRO A 56 -12.641 16.343 -0.380 1.00 0.00 C ATOM 897 CD PRO A 56 -11.660 15.311 -0.918 1.00 0.00 C ATOM 0 HA PRO A 56 -10.282 18.179 -1.917 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.526 18.492 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.712 17.809 -1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.602 16.388 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.665 16.087 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.377 14.594 -0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.094 14.742 -1.740 1.00 0.00 H new ATOM 905 N LEU A 57 -9.096 19.050 -0.052 1.00 0.00 N ATOM 906 CA LEU A 57 -8.408 19.784 1.020 1.00 0.00 C ATOM 907 C LEU A 57 -9.409 20.699 1.780 1.00 0.00 C ATOM 908 O LEU A 57 -10.326 21.245 1.150 1.00 0.00 O ATOM 909 CB LEU A 57 -7.286 20.641 0.384 1.00 0.00 C ATOM 910 CG LEU A 57 -6.216 19.847 -0.433 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.350 20.797 -1.282 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.336 18.958 0.489 1.00 0.00 C ATOM 0 H LEU A 57 -8.829 19.363 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.983 19.079 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.745 21.380 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.779 21.191 1.177 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.750 19.182 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.614 20.218 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.985 21.344 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.837 21.503 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.604 18.421 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.818 19.586 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.968 18.242 1.015 1.00 0.00 H new ATOM 924 N PRO A 58 -9.258 20.880 3.134 1.00 0.00 N ATOM 925 CA PRO A 58 -10.122 21.804 3.922 1.00 0.00 C ATOM 926 C PRO A 58 -9.753 23.282 3.663 1.00 0.00 C ATOM 927 O PRO A 58 -8.796 23.554 2.946 1.00 0.00 O ATOM 928 CB PRO A 58 -9.827 21.379 5.381 1.00 0.00 C ATOM 929 CG PRO A 58 -8.408 20.905 5.344 1.00 0.00 C ATOM 930 CD PRO A 58 -8.246 20.213 4.002 1.00 0.00 C ATOM 0 HA PRO A 58 -11.179 21.739 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.951 22.213 6.072 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.502 20.589 5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.713 21.739 5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.202 20.220 6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.237 20.336 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.429 19.141 4.080 1.00 0.00 H new ATOM 938 N ASP A 59 -10.501 24.213 4.280 1.00 0.00 N ATOM 939 CA ASP A 59 -10.302 25.677 4.091 1.00 0.00 C ATOM 940 C ASP A 59 -8.917 26.138 4.582 1.00 0.00 C ATOM 941 O ASP A 59 -8.364 27.119 4.064 1.00 0.00 O ATOM 942 CB ASP A 59 -11.416 26.464 4.820 1.00 0.00 C ATOM 943 CG ASP A 59 -12.798 26.210 4.210 1.00 0.00 C ATOM 944 OD1 ASP A 59 -13.440 25.198 4.563 1.00 0.00 O ATOM 945 OD2 ASP A 59 -13.247 27.015 3.369 1.00 0.00 O ATOM 0 H ASP A 59 -11.259 23.983 4.922 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.355 25.881 3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.428 26.182 5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.192 27.530 4.778 1.00 0.00 H new ATOM 950 N SER A 60 -8.378 25.414 5.575 1.00 0.00 N ATOM 951 CA SER A 60 -7.036 25.662 6.122 1.00 0.00 C ATOM 952 C SER A 60 -5.957 25.360 5.063 1.00 0.00 C ATOM 953 O SER A 60 -4.950 26.065 4.960 1.00 0.00 O ATOM 954 CB SER A 60 -6.825 24.785 7.372 1.00 0.00 C ATOM 955 OG SER A 60 -7.047 23.420 7.068 1.00 0.00 O ATOM 0 H SER A 60 -8.863 24.637 6.023 1.00 0.00 H new ATOM 0 HA SER A 60 -6.950 26.712 6.401 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.811 24.919 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.504 25.102 8.164 1.00 0.00 H new ATOM 0 HG SER A 60 -6.907 22.879 7.873 1.00 0.00 H new ATOM 961 N LYS A 61 -6.196 24.295 4.272 1.00 0.00 N ATOM 962 CA LYS A 61 -5.263 23.811 3.236 1.00 0.00 C ATOM 963 C LYS A 61 -5.813 24.062 1.830 1.00 0.00 C ATOM 964 O LYS A 61 -5.349 23.469 0.855 1.00 0.00 O ATOM 965 CB LYS A 61 -4.963 22.304 3.471 1.00 0.00 C ATOM 966 CG LYS A 61 -4.340 22.015 4.858 1.00 0.00 C ATOM 967 CD LYS A 61 -3.009 22.778 5.077 1.00 0.00 C ATOM 968 CE LYS A 61 -2.465 22.639 6.499 1.00 0.00 C ATOM 969 NZ LYS A 61 -1.175 23.364 6.662 1.00 0.00 N ATOM 0 H LYS A 61 -7.051 23.742 4.335 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.330 24.369 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.888 21.736 3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.285 21.950 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.049 22.295 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.163 20.944 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.265 22.408 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.162 23.834 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.195 23.028 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.323 21.584 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.833 23.250 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.472 22.975 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.317 24.375 6.461 1.00 0.00 H new ATOM 983 N LEU A 62 -6.801 24.967 1.725 1.00 0.00 N ATOM 984 CA LEU A 62 -7.297 25.442 0.427 1.00 0.00 C ATOM 985 C LEU A 62 -6.467 26.679 0.071 1.00 0.00 C ATOM 986 O LEU A 62 -6.901 27.829 0.212 1.00 0.00 O ATOM 987 CB LEU A 62 -8.842 25.729 0.460 1.00 0.00 C ATOM 988 CG LEU A 62 -9.653 25.290 -0.806 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.234 26.075 -2.073 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.527 23.764 -1.023 1.00 0.00 C ATOM 0 H LEU A 62 -7.272 25.384 2.528 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.179 24.679 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.266 25.227 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.989 26.799 0.607 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.701 25.530 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.824 25.735 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.406 27.140 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.176 25.904 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.096 23.474 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.478 23.502 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.918 23.239 -0.151 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.239 26.382 -0.338 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.173 27.346 -0.584 1.00 0.00 C ATOM 1004 C ASP A 63 -3.355 26.827 -1.760 1.00 0.00 C ATOM 1005 O ASP A 63 -3.161 25.612 -1.857 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.300 27.482 0.702 1.00 0.00 C ATOM 1007 CG ASP A 63 -1.966 28.228 0.486 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -1.929 29.469 0.619 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -0.948 27.568 0.168 1.00 0.00 O ATOM 0 H ASP A 63 -4.946 25.421 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.568 28.334 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.876 28.005 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.087 26.486 1.090 1.00 0.00 H new ATOM 1014 N GLY A 64 -2.844 27.760 -2.590 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.155 27.460 -3.854 1.00 0.00 C ATOM 1016 C GLY A 64 -1.130 26.331 -3.768 1.00 0.00 C ATOM 1017 O GLY A 64 -1.203 25.398 -4.553 1.00 0.00 O ATOM 0 H GLY A 64 -2.902 28.759 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.900 27.200 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.653 28.363 -4.202 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.240 26.383 -2.758 1.00 0.00 N ATOM 1022 CA ALA A 65 0.852 25.388 -2.585 1.00 0.00 C ATOM 1023 C ALA A 65 0.307 23.972 -2.291 1.00 0.00 C ATOM 1024 O ALA A 65 0.859 22.970 -2.763 1.00 0.00 O ATOM 1025 CB ALA A 65 1.794 25.843 -1.462 1.00 0.00 C ATOM 0 H ALA A 65 -0.252 27.108 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 65 1.403 25.331 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.593 25.112 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.225 26.811 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.234 25.930 -0.531 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.790 23.909 -1.517 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.442 22.634 -1.135 1.00 0.00 C ATOM 1033 C ASN A 66 -2.219 22.044 -2.322 1.00 0.00 C ATOM 1034 O ASN A 66 -2.251 20.817 -2.509 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.386 22.856 0.067 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.650 23.360 1.310 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.203 22.575 2.143 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.493 24.670 1.432 1.00 0.00 N ATOM 0 H ASN A 66 -1.252 24.735 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.667 21.924 -0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.157 23.575 -0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.892 21.920 0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.990 25.051 2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.875 25.298 0.724 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.842 22.938 -3.120 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.558 22.574 -4.355 1.00 0.00 C ATOM 1047 C ILE A 67 -2.569 21.914 -5.337 1.00 0.00 C ATOM 1048 O ILE A 67 -2.834 20.833 -5.881 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.212 23.849 -5.028 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.256 24.545 -4.086 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.844 23.500 -6.386 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.436 23.687 -3.683 1.00 0.00 C ATOM 0 H ILE A 67 -2.860 23.938 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.357 21.876 -4.105 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.407 24.563 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.743 24.875 -3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.631 25.439 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.285 24.396 -6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.077 23.110 -7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.619 22.747 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.097 24.260 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.982 23.377 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.080 22.805 -3.151 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.414 22.584 -5.492 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.288 22.132 -6.323 1.00 0.00 C ATOM 1066 C LYS A 68 0.182 20.725 -5.933 1.00 0.00 C ATOM 1067 O LYS A 68 0.527 19.926 -6.800 1.00 0.00 O ATOM 1068 CB LYS A 68 0.894 23.121 -6.170 1.00 0.00 C ATOM 1069 CG LYS A 68 0.681 24.497 -6.826 1.00 0.00 C ATOM 1070 CD LYS A 68 1.916 25.405 -6.665 1.00 0.00 C ATOM 1071 CE LYS A 68 1.736 26.774 -7.328 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.971 27.593 -7.234 1.00 0.00 N ATOM 0 H LYS A 68 -1.235 23.476 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.630 22.100 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.090 23.268 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.787 22.665 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.463 24.365 -7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.187 24.982 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.123 25.545 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.785 24.909 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.467 26.639 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.910 27.304 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.830 28.492 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.185 27.785 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.764 27.076 -7.665 1.00 0.00 H new ATOM 1086 N HIS A 69 0.192 20.460 -4.618 1.00 0.00 N ATOM 1087 CA HIS A 69 0.640 19.180 -4.047 1.00 0.00 C ATOM 1088 C HIS A 69 -0.293 18.025 -4.475 1.00 0.00 C ATOM 1089 O HIS A 69 0.176 16.945 -4.852 1.00 0.00 O ATOM 1090 CB HIS A 69 0.714 19.299 -2.511 1.00 0.00 C ATOM 1091 CG HIS A 69 1.410 18.151 -1.821 1.00 0.00 C ATOM 1092 ND1 HIS A 69 0.731 17.148 -1.168 1.00 0.00 N ATOM 1093 CD2 HIS A 69 2.728 17.865 -1.671 1.00 0.00 C ATOM 1094 CE1 HIS A 69 1.587 16.308 -0.635 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.803 16.718 -0.928 1.00 0.00 N ATOM 0 H HIS A 69 -0.113 21.133 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 69 1.634 18.949 -4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.230 20.225 -2.257 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.299 19.381 -2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.559 18.433 -2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.337 15.431 -0.056 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.666 16.254 -0.646 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.618 18.282 -4.434 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.644 17.324 -4.915 1.00 0.00 C ATOM 1106 C ARG A 70 -2.438 17.003 -6.407 1.00 0.00 C ATOM 1107 O ARG A 70 -2.392 15.824 -6.796 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.091 17.870 -4.675 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.642 17.660 -3.247 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.730 16.166 -2.877 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.356 15.947 -1.555 1.00 0.00 N ATOM 1112 CZ ARG A 70 -4.953 15.038 -0.641 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -3.908 14.257 -0.874 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -5.586 14.937 0.512 1.00 0.00 N ATOM 0 H ARG A 70 -2.007 19.152 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.528 16.405 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.102 18.937 -4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.766 17.389 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.000 18.174 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.631 18.112 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.304 15.639 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.729 15.735 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.157 16.530 -1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.397 14.338 -1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.615 13.575 -0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.380 15.545 0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.282 14.251 1.202 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.275 18.070 -7.216 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.051 17.957 -8.670 1.00 0.00 C ATOM 1130 C LEU A 71 -0.752 17.179 -8.978 1.00 0.00 C ATOM 1131 O LEU A 71 -0.701 16.375 -9.919 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.969 19.370 -9.310 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.186 20.328 -9.087 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.042 21.618 -9.925 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.533 19.629 -9.367 1.00 0.00 C ATOM 0 H LEU A 71 -2.295 19.033 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.892 17.409 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.076 19.863 -8.926 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.828 19.247 -10.384 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.184 20.608 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.902 22.264 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.131 22.141 -9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.991 21.361 -10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.349 20.332 -9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.557 19.285 -10.401 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.646 18.776 -8.698 1.00 0.00 H new ATOM 1147 N ALA A 72 0.271 17.429 -8.140 1.00 0.00 N ATOM 1148 CA ALA A 72 1.620 16.881 -8.299 1.00 0.00 C ATOM 1149 C ALA A 72 1.636 15.357 -8.131 1.00 0.00 C ATOM 1150 O ALA A 72 2.065 14.638 -9.037 1.00 0.00 O ATOM 1151 CB ALA A 72 2.585 17.549 -7.307 1.00 0.00 C ATOM 0 H ALA A 72 0.176 18.029 -7.321 1.00 0.00 H new ATOM 0 HA ALA A 72 1.952 17.099 -9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.584 17.133 -7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.612 18.623 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.244 17.366 -6.288 1.00 0.00 H new ATOM 1157 N LEU A 73 1.134 14.874 -6.976 1.00 0.00 N ATOM 1158 CA LEU A 73 1.065 13.424 -6.677 1.00 0.00 C ATOM 1159 C LEU A 73 0.125 12.691 -7.638 1.00 0.00 C ATOM 1160 O LEU A 73 0.368 11.518 -7.966 1.00 0.00 O ATOM 1161 CB LEU A 73 0.647 13.144 -5.208 1.00 0.00 C ATOM 1162 CG LEU A 73 1.781 13.298 -4.145 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.119 14.772 -3.856 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.452 12.511 -2.866 1.00 0.00 C ATOM 0 H LEU A 73 0.769 15.467 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 73 2.075 13.039 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.167 13.819 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.252 12.130 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 73 2.685 12.863 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.913 14.824 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.451 15.256 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.233 15.281 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.259 12.637 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.521 12.884 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.342 11.454 -3.107 1.00 0.00 H new ATOM 1176 N TRP A 74 -0.944 13.390 -8.067 1.00 0.00 N ATOM 1177 CA TRP A 74 -1.907 12.856 -9.036 1.00 0.00 C ATOM 1178 C TRP A 74 -1.206 12.454 -10.351 1.00 0.00 C ATOM 1179 O TRP A 74 -1.213 11.278 -10.729 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.026 13.893 -9.322 1.00 0.00 C ATOM 1181 CG TRP A 74 -3.977 13.449 -10.399 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.912 12.465 -10.310 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.054 13.952 -11.741 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.550 12.315 -11.512 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.045 13.218 -12.402 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.370 14.952 -12.439 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.377 13.448 -13.721 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.704 15.186 -13.755 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.697 14.431 -14.385 1.00 0.00 C ATOM 0 H TRP A 74 -1.159 14.335 -7.750 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.358 11.964 -8.602 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.585 14.078 -8.405 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.571 14.839 -9.614 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.120 11.887 -9.422 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.285 11.637 -11.711 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.595 15.529 -11.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.147 12.872 -14.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.193 15.962 -14.306 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.933 14.629 -15.420 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.592 13.452 -11.022 1.00 0.00 N ATOM 1201 CA ILE A 75 0.055 13.255 -12.334 1.00 0.00 C ATOM 1202 C ILE A 75 1.326 12.382 -12.194 1.00 0.00 C ATOM 1203 O ILE A 75 1.721 11.697 -13.145 1.00 0.00 O ATOM 1204 CB ILE A 75 0.377 14.632 -13.039 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.841 14.440 -14.527 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.419 15.434 -12.240 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.146 13.693 -15.417 1.00 0.00 C ATOM 0 H ILE A 75 -0.532 14.408 -10.672 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.650 12.725 -12.975 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.552 15.203 -13.061 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.030 15.421 -14.963 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.789 13.902 -14.530 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.621 16.377 -12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.034 15.636 -11.240 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.341 14.858 -12.164 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.263 13.610 -16.424 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.318 12.696 -15.012 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.089 14.238 -15.452 1.00 0.00 H new ATOM 1219 N HIS A 76 1.927 12.376 -10.982 1.00 0.00 N ATOM 1220 CA HIS A 76 3.123 11.565 -10.695 1.00 0.00 C ATOM 1221 C HIS A 76 2.764 10.070 -10.721 1.00 0.00 C ATOM 1222 O HIS A 76 3.514 9.262 -11.259 1.00 0.00 O ATOM 1223 CB HIS A 76 3.769 11.953 -9.327 1.00 0.00 C ATOM 1224 CG HIS A 76 5.264 11.725 -9.272 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.989 11.744 -8.106 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.175 11.591 -10.265 1.00 0.00 C ATOM 1227 CE1 HIS A 76 7.268 11.639 -8.379 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.407 11.537 -9.684 1.00 0.00 N ATOM 0 H HIS A 76 1.599 12.926 -10.188 1.00 0.00 H new ATOM 0 HA HIS A 76 3.861 11.768 -11.471 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.563 13.004 -9.124 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.293 11.376 -8.534 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.964 11.537 -11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.070 11.637 -7.656 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.292 11.434 -10.180 1.00 0.00 H new ATOM 1237 N ALA A 77 1.603 9.732 -10.136 1.00 0.00 N ATOM 1238 CA ALA A 77 1.076 8.352 -10.117 1.00 0.00 C ATOM 1239 C ALA A 77 0.379 7.994 -11.450 1.00 0.00 C ATOM 1240 O ALA A 77 0.271 6.812 -11.799 1.00 0.00 O ATOM 1241 CB ALA A 77 0.110 8.187 -8.937 1.00 0.00 C ATOM 0 H ALA A 77 1.001 10.406 -9.662 1.00 0.00 H new ATOM 0 HA ALA A 77 1.913 7.664 -9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.278 7.169 -8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.638 8.386 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.717 8.889 -9.043 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.101 9.033 -12.171 1.00 0.00 N ATOM 1248 CA ALA A 78 -0.782 8.883 -13.480 1.00 0.00 C ATOM 1249 C ALA A 78 0.213 8.461 -14.576 1.00 0.00 C ATOM 1250 O ALA A 78 -0.133 7.680 -15.474 1.00 0.00 O ATOM 1251 CB ALA A 78 -1.505 10.183 -13.880 1.00 0.00 C ATOM 0 H ALA A 78 -0.027 10.002 -11.862 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.529 8.096 -13.375 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.996 10.045 -14.843 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.251 10.431 -13.125 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.781 10.994 -13.955 1.00 0.00 H new ATOM 1257 N LEU A 79 1.447 9.000 -14.493 1.00 0.00 N ATOM 1258 CA LEU A 79 2.565 8.571 -15.349 1.00 0.00 C ATOM 1259 C LEU A 79 3.068 7.187 -14.882 1.00 0.00 C ATOM 1260 O LEU A 79 3.405 7.046 -13.708 1.00 0.00 O ATOM 1261 CB LEU A 79 3.720 9.609 -15.315 1.00 0.00 C ATOM 1262 CG LEU A 79 3.398 11.013 -15.920 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.635 11.932 -15.843 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.871 10.901 -17.376 1.00 0.00 C ATOM 0 H LEU A 79 1.692 9.739 -13.835 1.00 0.00 H new ATOM 0 HA LEU A 79 2.213 8.498 -16.378 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.030 9.744 -14.279 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.573 9.192 -15.851 1.00 0.00 H new ATOM 0 HG LEU A 79 2.602 11.460 -15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.392 12.905 -16.269 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.932 12.055 -14.802 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.456 11.485 -16.404 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.658 11.897 -17.763 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.626 10.423 -18.000 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.959 10.304 -17.388 1.00 0.00 H new ATOM 1276 N PRO A 80 3.086 6.147 -15.789 1.00 0.00 N ATOM 1277 CA PRO A 80 3.535 4.766 -15.444 1.00 0.00 C ATOM 1278 C PRO A 80 4.943 4.698 -14.805 1.00 0.00 C ATOM 1279 O PRO A 80 5.168 3.926 -13.862 1.00 0.00 O ATOM 1280 CB PRO A 80 3.508 4.031 -16.812 1.00 0.00 C ATOM 1281 CG PRO A 80 2.478 4.767 -17.609 1.00 0.00 C ATOM 1282 CD PRO A 80 2.621 6.218 -17.205 1.00 0.00 C ATOM 0 HA PRO A 80 2.892 4.322 -14.684 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.483 4.061 -17.298 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.243 2.980 -16.694 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.643 4.639 -18.679 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.476 4.396 -17.394 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.339 6.741 -17.837 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.675 6.752 -17.289 1.00 0.00 H new ATOM 1290 N ASP A 81 5.880 5.509 -15.337 1.00 0.00 N ATOM 1291 CA ASP A 81 7.288 5.533 -14.864 1.00 0.00 C ATOM 1292 C ASP A 81 7.452 6.402 -13.605 1.00 0.00 C ATOM 1293 O ASP A 81 8.462 6.271 -12.905 1.00 0.00 O ATOM 1294 CB ASP A 81 8.248 6.044 -15.977 1.00 0.00 C ATOM 1295 CG ASP A 81 8.218 5.203 -17.263 1.00 0.00 C ATOM 1296 OD1 ASP A 81 8.248 3.952 -17.175 1.00 0.00 O ATOM 1297 OD2 ASP A 81 8.197 5.784 -18.374 1.00 0.00 O ATOM 0 H ASP A 81 5.690 6.161 -16.098 1.00 0.00 H new ATOM 0 HA ASP A 81 7.551 4.506 -14.612 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.988 7.074 -16.222 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.266 6.057 -15.587 1.00 0.00 H new ATOM 1302 N ASN A 82 6.452 7.278 -13.336 1.00 0.00 N ATOM 1303 CA ASN A 82 6.475 8.245 -12.214 1.00 0.00 C ATOM 1304 C ASN A 82 7.686 9.194 -12.386 1.00 0.00 C ATOM 1305 O ASN A 82 8.521 9.355 -11.480 1.00 0.00 O ATOM 1306 CB ASN A 82 6.500 7.515 -10.828 1.00 0.00 C ATOM 1307 CG ASN A 82 5.499 6.351 -10.690 1.00 0.00 C ATOM 1308 OD1 ASN A 82 5.811 5.326 -10.083 1.00 0.00 O ATOM 1309 ND2 ASN A 82 4.291 6.499 -11.203 1.00 0.00 N ATOM 0 H ASN A 82 5.602 7.332 -13.897 1.00 0.00 H new ATOM 0 HA ASN A 82 5.560 8.836 -12.233 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.506 7.133 -10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.296 8.245 -10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.599 5.757 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.050 7.355 -11.703 1.00 0.00 H new ATOM 1316 N ASP A 83 7.731 9.822 -13.567 1.00 0.00 N ATOM 1317 CA ASP A 83 8.894 10.576 -14.091 1.00 0.00 C ATOM 1318 C ASP A 83 9.262 11.833 -13.236 1.00 0.00 C ATOM 1319 O ASP A 83 8.534 12.190 -12.306 1.00 0.00 O ATOM 1320 CB ASP A 83 8.571 10.997 -15.558 1.00 0.00 C ATOM 1321 CG ASP A 83 8.230 9.803 -16.457 1.00 0.00 C ATOM 1322 OD1 ASP A 83 7.052 9.387 -16.476 1.00 0.00 O ATOM 1323 OD2 ASP A 83 9.139 9.265 -17.126 1.00 0.00 O ATOM 0 H ASP A 83 6.939 9.824 -14.210 1.00 0.00 H new ATOM 0 HA ASP A 83 9.767 9.925 -14.045 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.733 11.695 -15.555 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.427 11.528 -15.976 1.00 0.00 H new ATOM 1328 N PRO A 84 10.442 12.490 -13.510 1.00 0.00 N ATOM 1329 CA PRO A 84 10.705 13.885 -13.051 1.00 0.00 C ATOM 1330 C PRO A 84 9.920 14.937 -13.881 1.00 0.00 C ATOM 1331 O PRO A 84 9.909 16.118 -13.530 1.00 0.00 O ATOM 1332 CB PRO A 84 12.240 14.032 -13.256 1.00 0.00 C ATOM 1333 CG PRO A 84 12.549 13.107 -14.394 1.00 0.00 C ATOM 1334 CD PRO A 84 11.641 11.910 -14.191 1.00 0.00 C ATOM 0 HA PRO A 84 10.383 14.057 -12.024 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.514 15.060 -13.493 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.790 13.755 -12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.359 13.587 -15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.598 12.811 -14.387 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.376 11.442 -15.139 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.118 11.144 -13.580 1.00 0.00 H new ATOM 1342 N LEU A 85 9.282 14.465 -14.993 1.00 0.00 N ATOM 1343 CA LEU A 85 8.460 15.279 -15.928 1.00 0.00 C ATOM 1344 C LEU A 85 9.292 16.331 -16.672 1.00 0.00 C ATOM 1345 O LEU A 85 8.721 17.211 -17.316 1.00 0.00 O ATOM 1346 CB LEU A 85 7.225 15.943 -15.230 1.00 0.00 C ATOM 1347 CG LEU A 85 6.116 14.960 -14.747 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.488 14.265 -13.436 1.00 0.00 C ATOM 1349 CD2 LEU A 85 4.761 15.655 -14.628 1.00 0.00 C ATOM 0 H LEU A 85 9.329 13.483 -15.266 1.00 0.00 H new ATOM 0 HA LEU A 85 8.076 14.574 -16.666 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.579 16.514 -14.371 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.778 16.655 -15.923 1.00 0.00 H new ATOM 0 HG LEU A 85 6.033 14.188 -15.512 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.684 13.591 -13.141 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.407 13.695 -13.574 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.638 15.013 -12.658 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.013 14.938 -14.289 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.833 16.472 -13.910 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.469 16.052 -15.600 1.00 0.00 H new ATOM 1361 N LYS A 86 10.627 16.166 -16.629 1.00 0.00 N ATOM 1362 CA LYS A 86 11.616 17.144 -17.127 1.00 0.00 C ATOM 1363 C LYS A 86 11.345 17.481 -18.633 1.00 0.00 C ATOM 1364 O LYS A 86 11.016 18.649 -18.954 1.00 0.00 O ATOM 1365 CB LYS A 86 13.067 16.579 -16.874 1.00 0.00 C ATOM 1366 CG LYS A 86 14.223 17.627 -16.773 1.00 0.00 C ATOM 1367 CD LYS A 86 14.543 18.368 -18.095 1.00 0.00 C ATOM 1368 CE LYS A 86 14.990 17.428 -19.230 1.00 0.00 C ATOM 1369 NZ LYS A 86 15.140 18.153 -20.516 1.00 0.00 N ATOM 1370 OXT LYS A 86 11.400 16.555 -19.467 1.00 0.00 O ATOM 0 H LYS A 86 11.060 15.329 -16.238 1.00 0.00 H new ATOM 0 HA LYS A 86 11.526 18.085 -16.585 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.050 16.001 -15.950 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.307 15.885 -17.680 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.962 18.364 -16.014 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.125 17.121 -16.429 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.660 18.920 -18.417 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.328 19.102 -17.911 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.938 16.960 -18.963 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.261 16.626 -19.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.442 17.488 -21.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.229 18.578 -20.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.854 18.902 -20.411 1.00 0.00 H new