USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 659 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 13 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.25) USER MOD Single : A 22 LYS NZ :NH3+ -124:sc= -0.678 (180deg=-2.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.0824 (180deg=-0.526) USER MOD Single : A 45 GLN : amide:sc= -0.0948 X(o=-0.095,f=-0.095) USER MOD Single : A 47 SER OG : rot -98:sc= 0.189 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.103 (180deg=-0.67) USER MOD Single : A 60 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0355 (180deg=-0.509) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.78) USER MOD Single : A 74 MET CE :methyl 168:sc= -0.0243 (180deg=-0.261) USER MOD Single : A 76 SER OG : rot 180:sc= -1.02 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ILE A 9 -0.490 5.270 2.826 1.00 1.00 N ATOM 142 CA ILE A 9 0.186 4.552 1.744 1.00 1.00 C ATOM 143 C ILE A 9 0.408 5.490 0.560 1.00 1.00 C ATOM 144 O ILE A 9 -0.397 6.375 0.270 1.00 1.00 O ATOM 145 CB ILE A 9 -0.663 3.318 1.309 1.00 1.00 C ATOM 146 CG1 ILE A 9 -0.894 2.383 2.542 1.00 1.00 C ATOM 147 CG2 ILE A 9 0.086 2.525 0.186 1.00 1.00 C ATOM 148 CD1 ILE A 9 -1.919 1.284 2.208 1.00 1.00 C ATOM 0 HA ILE A 9 1.154 4.199 2.099 1.00 1.00 H new ATOM 0 HB ILE A 9 -1.624 3.662 0.925 1.00 1.00 H new ATOM 0 HG12 ILE A 9 0.050 1.928 2.841 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -1.247 2.971 3.389 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -0.513 1.665 -0.113 1.00 1.00 H new ATOM 0 HG22 ILE A 9 0.243 3.175 -0.675 1.00 1.00 H new ATOM 0 HG23 ILE A 9 1.050 2.183 0.563 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -2.065 0.645 3.079 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -2.868 1.743 1.932 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -1.551 0.684 1.376 1.00 1.00 H new ATOM 160 N VAL A 10 1.514 5.277 -0.145 1.00 1.00 N ATOM 161 CA VAL A 10 1.868 6.098 -1.321 1.00 1.00 C ATOM 162 C VAL A 10 1.501 5.353 -2.599 1.00 1.00 C ATOM 163 O VAL A 10 1.768 4.162 -2.761 1.00 1.00 O ATOM 164 CB VAL A 10 3.389 6.443 -1.316 1.00 1.00 C ATOM 165 CG1 VAL A 10 3.718 7.456 -2.447 1.00 1.00 C ATOM 166 CG2 VAL A 10 3.773 7.064 0.046 1.00 1.00 C ATOM 0 H VAL A 10 2.189 4.543 0.070 1.00 1.00 H new ATOM 0 HA VAL A 10 1.307 7.031 -1.277 1.00 1.00 H new ATOM 0 HB VAL A 10 3.956 5.527 -1.481 1.00 1.00 H new ATOM 0 HG11 VAL A 10 4.783 7.687 -2.430 1.00 1.00 H new ATOM 0 HG12 VAL A 10 3.456 7.022 -3.412 1.00 1.00 H new ATOM 0 HG13 VAL A 10 3.146 8.371 -2.293 1.00 1.00 H new ATOM 0 HG21 VAL A 10 4.836 7.305 0.049 1.00 1.00 H new ATOM 0 HG22 VAL A 10 3.194 7.973 0.207 1.00 1.00 H new ATOM 0 HG23 VAL A 10 3.560 6.352 0.843 1.00 1.00 H new ATOM 176 N LEU A 11 0.884 6.068 -3.536 1.00 1.00 N ATOM 177 CA LEU A 11 0.474 5.466 -4.814 1.00 1.00 C ATOM 178 C LEU A 11 1.560 5.707 -5.876 1.00 1.00 C ATOM 179 O LEU A 11 1.770 6.827 -6.344 1.00 1.00 O ATOM 180 CB LEU A 11 -0.887 6.077 -5.272 1.00 1.00 C ATOM 181 CG LEU A 11 -1.711 5.051 -6.144 1.00 1.00 C ATOM 182 CD1 LEU A 11 -0.872 4.538 -7.349 1.00 1.00 C ATOM 183 CD2 LEU A 11 -2.198 3.832 -5.274 1.00 1.00 C ATOM 0 H LEU A 11 0.656 7.058 -3.442 1.00 1.00 H new ATOM 0 HA LEU A 11 0.347 4.391 -4.685 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -1.471 6.366 -4.398 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.705 6.984 -5.848 1.00 1.00 H new ATOM 0 HG LEU A 11 -2.585 5.578 -6.527 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -1.465 3.833 -7.932 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.588 5.381 -7.979 1.00 1.00 H new ATOM 0 HD13 LEU A 11 0.026 4.040 -6.982 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.763 3.141 -5.900 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -1.334 3.317 -4.853 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.834 4.193 -4.466 1.00 1.00 H new ATOM 195 N ARG A 12 2.245 4.636 -6.264 1.00 1.00 N ATOM 196 CA ARG A 12 3.312 4.715 -7.285 1.00 1.00 C ATOM 197 C ARG A 12 2.790 4.240 -8.633 1.00 1.00 C ATOM 198 O ARG A 12 1.892 3.400 -8.710 1.00 1.00 O ATOM 199 CB ARG A 12 4.517 3.857 -6.849 1.00 1.00 C ATOM 200 CG ARG A 12 5.746 4.141 -7.747 1.00 1.00 C ATOM 201 CD ARG A 12 6.949 3.322 -7.264 1.00 1.00 C ATOM 202 NE ARG A 12 7.292 3.740 -5.906 1.00 1.00 N ATOM 203 CZ ARG A 12 8.292 3.184 -5.222 1.00 1.00 C ATOM 204 NH1 ARG A 12 9.010 2.232 -5.754 1.00 1.00 N ATOM 205 NH2 ARG A 12 8.546 3.596 -4.013 1.00 1.00 N ATOM 0 H ARG A 12 2.089 3.699 -5.894 1.00 1.00 H new ATOM 0 HA ARG A 12 3.631 5.753 -7.383 1.00 1.00 H new ATOM 0 HB2 ARG A 12 4.764 4.070 -5.809 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.256 2.800 -6.905 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.516 3.889 -8.782 1.00 1.00 H new ATOM 0 HG3 ARG A 12 5.986 5.204 -7.723 1.00 1.00 H new ATOM 0 HD2 ARG A 12 6.713 2.258 -7.282 1.00 1.00 H new ATOM 0 HD3 ARG A 12 7.799 3.471 -7.930 1.00 1.00 H new ATOM 0 HE ARG A 12 6.748 4.482 -5.467 1.00 1.00 H new ATOM 0 HH11 ARG A 12 8.808 1.908 -6.700 1.00 1.00 H new ATOM 0 HH12 ARG A 12 9.773 1.812 -5.224 1.00 1.00 H new ATOM 0 HH21 ARG A 12 7.982 4.338 -3.598 1.00 1.00 H new ATOM 0 HH22 ARG A 12 9.309 3.177 -3.481 1.00 1.00 H new ATOM 219 N ASN A 13 3.350 4.783 -9.708 1.00 1.00 N ATOM 220 CA ASN A 13 2.953 4.424 -11.062 1.00 1.00 C ATOM 221 C ASN A 13 1.466 4.682 -11.255 1.00 1.00 C ATOM 222 O ASN A 13 0.749 3.844 -11.803 1.00 1.00 O ATOM 223 CB ASN A 13 3.290 2.943 -11.353 1.00 1.00 C ATOM 224 CG ASN A 13 4.770 2.662 -11.097 1.00 1.00 C ATOM 225 OD1 ASN A 13 5.636 3.373 -11.607 1.00 1.00 O ATOM 226 ND2 ASN A 13 5.112 1.659 -10.329 1.00 1.00 N ATOM 0 H ASN A 13 4.091 5.483 -9.664 1.00 1.00 H new ATOM 0 HA ASN A 13 3.510 5.043 -11.765 1.00 1.00 H new ATOM 0 HB2 ASN A 13 2.678 2.296 -10.724 1.00 1.00 H new ATOM 0 HB3 ASN A 13 3.044 2.706 -12.388 1.00 1.00 H new ATOM 0 HD21 ASN A 13 6.098 1.465 -10.152 1.00 1.00 H new ATOM 0 HD22 ASN A 13 4.393 1.071 -9.907 1.00 1.00 H new ATOM 233 N LEU A 14 0.998 5.843 -10.810 1.00 1.00 N ATOM 234 CA LEU A 14 -0.434 6.191 -10.924 1.00 1.00 C ATOM 235 C LEU A 14 -0.809 6.570 -12.391 1.00 1.00 C ATOM 236 O LEU A 14 -0.365 7.619 -12.855 1.00 1.00 O ATOM 237 CB LEU A 14 -0.784 7.383 -9.959 1.00 1.00 C ATOM 238 CG LEU A 14 -2.330 7.401 -9.582 1.00 1.00 C ATOM 239 CD1 LEU A 14 -2.582 8.324 -8.373 1.00 1.00 C ATOM 240 CD2 LEU A 14 -3.197 7.874 -10.786 1.00 1.00 C ATOM 0 H LEU A 14 1.574 6.560 -10.369 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.014 5.314 -10.638 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -0.189 7.302 -9.050 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.514 8.327 -10.433 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.617 6.382 -9.324 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -3.645 8.323 -8.130 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -2.014 7.964 -7.516 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -2.266 9.338 -8.617 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -4.248 7.876 -10.499 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.898 8.881 -11.076 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -3.052 7.196 -11.627 1.00 1.00 H new ATOM 252 N PRO A 15 -1.621 5.805 -13.067 1.00 1.00 N ATOM 253 CA PRO A 15 -2.039 6.192 -14.475 1.00 1.00 C ATOM 254 C PRO A 15 -2.462 7.684 -14.580 1.00 1.00 C ATOM 255 O PRO A 15 -3.008 8.267 -13.642 1.00 1.00 O ATOM 256 CB PRO A 15 -3.245 5.263 -14.765 1.00 1.00 C ATOM 257 CG PRO A 15 -3.003 4.035 -13.921 1.00 1.00 C ATOM 258 CD PRO A 15 -2.247 4.512 -12.669 1.00 1.00 C ATOM 0 HA PRO A 15 -1.220 6.080 -15.185 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.187 5.744 -14.501 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.303 5.009 -15.824 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.945 3.559 -13.648 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -2.419 3.296 -14.469 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.924 4.644 -11.825 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.494 3.786 -12.362 1.00 1.00 H new ATOM 266 N GLU A 16 -2.187 8.310 -15.719 1.00 1.00 N ATOM 267 CA GLU A 16 -2.525 9.730 -15.937 1.00 1.00 C ATOM 268 C GLU A 16 -3.999 9.915 -16.323 1.00 1.00 C ATOM 269 O GLU A 16 -4.595 10.966 -16.084 1.00 1.00 O ATOM 270 CB GLU A 16 -1.595 10.315 -17.024 1.00 1.00 C ATOM 271 CG GLU A 16 -1.707 9.502 -18.332 1.00 1.00 C ATOM 272 CD GLU A 16 -0.768 10.071 -19.400 1.00 1.00 C ATOM 273 OE1 GLU A 16 0.321 10.488 -19.038 1.00 1.00 O ATOM 274 OE2 GLU A 16 -1.151 10.077 -20.558 1.00 1.00 O ATOM 0 H GLU A 16 -1.730 7.863 -16.514 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.375 10.267 -15.001 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -1.858 11.356 -17.213 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -0.564 10.306 -16.671 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -1.459 8.458 -18.140 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -2.735 9.524 -18.694 1.00 1.00 H new ATOM 281 N ASP A 17 -4.578 8.899 -16.955 1.00 1.00 N ATOM 282 CA ASP A 17 -5.982 8.959 -17.417 1.00 1.00 C ATOM 283 C ASP A 17 -6.941 8.371 -16.383 1.00 1.00 C ATOM 284 O ASP A 17 -8.160 8.442 -16.542 1.00 1.00 O ATOM 285 CB ASP A 17 -6.093 8.176 -18.738 1.00 1.00 C ATOM 286 CG ASP A 17 -5.166 8.796 -19.785 1.00 1.00 C ATOM 287 OD1 ASP A 17 -5.205 10.005 -19.936 1.00 1.00 O ATOM 288 OD2 ASP A 17 -4.424 8.054 -20.413 1.00 1.00 O ATOM 0 H ASP A 17 -4.106 8.019 -17.164 1.00 1.00 H new ATOM 0 HA ASP A 17 -6.261 10.003 -17.563 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -5.827 7.131 -18.576 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -7.123 8.191 -19.095 1.00 1.00 H new ATOM 293 N LEU A 18 -6.398 7.794 -15.316 1.00 1.00 N ATOM 294 CA LEU A 18 -7.230 7.174 -14.244 1.00 1.00 C ATOM 295 C LEU A 18 -6.900 7.830 -12.906 1.00 1.00 C ATOM 296 O LEU A 18 -5.785 8.310 -12.695 1.00 1.00 O ATOM 297 CB LEU A 18 -6.996 5.626 -14.174 1.00 1.00 C ATOM 298 CG LEU A 18 -7.016 4.983 -15.613 1.00 1.00 C ATOM 299 CD1 LEU A 18 -6.608 3.492 -15.557 1.00 1.00 C ATOM 300 CD2 LEU A 18 -8.427 5.109 -16.264 1.00 1.00 C ATOM 0 H LEU A 18 -5.393 7.733 -15.154 1.00 1.00 H new ATOM 0 HA LEU A 18 -8.283 7.336 -14.475 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -6.039 5.421 -13.694 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -7.767 5.166 -13.556 1.00 1.00 H new ATOM 0 HG LEU A 18 -6.295 5.528 -16.223 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -6.630 3.071 -16.562 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -5.601 3.405 -15.149 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -7.306 2.948 -14.921 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.412 4.657 -17.256 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -9.161 4.596 -15.643 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.696 6.162 -16.349 1.00 1.00 H new ATOM 312 N VAL A 19 -7.860 7.855 -11.987 1.00 1.00 N ATOM 313 CA VAL A 19 -7.648 8.478 -10.658 1.00 1.00 C ATOM 314 C VAL A 19 -8.391 7.712 -9.575 1.00 1.00 C ATOM 315 O VAL A 19 -9.317 6.946 -9.842 1.00 1.00 O ATOM 316 CB VAL A 19 -8.111 9.966 -10.673 1.00 1.00 C ATOM 317 CG1 VAL A 19 -7.336 10.755 -11.770 1.00 1.00 C ATOM 318 CG2 VAL A 19 -9.650 10.061 -10.929 1.00 1.00 C ATOM 0 H VAL A 19 -8.790 7.458 -12.123 1.00 1.00 H new ATOM 0 HA VAL A 19 -6.581 8.443 -10.436 1.00 1.00 H new ATOM 0 HB VAL A 19 -7.895 10.406 -9.699 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -7.666 11.794 -11.773 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -6.267 10.715 -11.560 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -7.532 10.309 -12.745 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -9.954 11.108 -10.936 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -9.887 9.608 -11.892 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -10.184 9.534 -10.138 1.00 1.00 H new ATOM 328 N LEU A 20 -7.979 7.937 -8.331 1.00 1.00 N ATOM 329 CA LEU A 20 -8.579 7.283 -7.172 1.00 1.00 C ATOM 330 C LEU A 20 -9.798 8.080 -6.705 1.00 1.00 C ATOM 331 O LEU A 20 -9.774 9.311 -6.663 1.00 1.00 O ATOM 332 CB LEU A 20 -7.504 7.199 -6.069 1.00 1.00 C ATOM 333 CG LEU A 20 -7.970 6.382 -4.818 1.00 1.00 C ATOM 334 CD1 LEU A 20 -8.317 4.909 -5.175 1.00 1.00 C ATOM 335 CD2 LEU A 20 -6.830 6.398 -3.767 1.00 1.00 C ATOM 0 H LEU A 20 -7.220 8.577 -8.098 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.921 6.278 -7.421 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.605 6.740 -6.481 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -7.233 8.207 -5.757 1.00 1.00 H new ATOM 0 HG LEU A 20 -8.875 6.846 -4.426 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -8.635 4.382 -4.276 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -9.122 4.893 -5.909 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -7.437 4.418 -5.591 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -7.138 5.833 -2.887 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -5.935 5.946 -4.194 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -6.614 7.427 -3.480 1.00 1.00 H new ATOM 347 N GLU A 21 -10.871 7.383 -6.349 1.00 1.00 N ATOM 348 CA GLU A 21 -12.112 8.041 -5.889 1.00 1.00 C ATOM 349 C GLU A 21 -12.048 8.396 -4.404 1.00 1.00 C ATOM 350 O GLU A 21 -12.696 9.333 -3.937 1.00 1.00 O ATOM 351 CB GLU A 21 -13.316 7.111 -6.159 1.00 1.00 C ATOM 352 CG GLU A 21 -13.177 5.773 -5.394 1.00 1.00 C ATOM 353 CD GLU A 21 -14.400 4.889 -5.658 1.00 1.00 C ATOM 354 OE1 GLU A 21 -14.831 4.833 -6.798 1.00 1.00 O ATOM 355 OE2 GLU A 21 -14.884 4.280 -4.717 1.00 1.00 O ATOM 0 H GLU A 21 -10.918 6.364 -6.366 1.00 1.00 H new ATOM 0 HA GLU A 21 -12.229 8.972 -6.444 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -14.238 7.610 -5.859 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -13.394 6.914 -7.228 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -12.270 5.257 -5.709 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -13.080 5.964 -4.325 1.00 1.00 H new ATOM 362 N LYS A 22 -11.274 7.624 -3.648 1.00 1.00 N ATOM 363 CA LYS A 22 -11.149 7.860 -2.193 1.00 1.00 C ATOM 364 C LYS A 22 -9.770 7.386 -1.659 1.00 1.00 C ATOM 365 O LYS A 22 -9.392 6.252 -1.955 1.00 1.00 O ATOM 366 CB LYS A 22 -12.286 7.104 -1.458 1.00 1.00 C ATOM 367 CG LYS A 22 -12.365 7.552 0.026 1.00 1.00 C ATOM 368 CD LYS A 22 -13.542 6.863 0.760 1.00 1.00 C ATOM 369 CE LYS A 22 -13.371 5.312 0.809 1.00 1.00 C ATOM 370 NZ LYS A 22 -13.935 4.710 -0.434 1.00 1.00 N ATOM 0 H LYS A 22 -10.727 6.839 -4.001 1.00 1.00 H new ATOM 0 HA LYS A 22 -11.228 8.931 -2.007 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -13.238 7.296 -1.953 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -12.110 6.030 -1.511 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -11.429 7.313 0.531 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -12.486 8.634 0.075 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -13.614 7.252 1.776 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -14.477 7.109 0.257 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -12.316 5.055 0.904 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -13.878 4.907 1.685 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -14.654 4.002 -0.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -14.371 5.455 -1.014 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -13.173 4.252 -0.975 1.00 1.00 H new ATOM 384 N PRO A 23 -9.044 8.172 -0.913 1.00 1.00 N ATOM 385 CA PRO A 23 -7.707 7.718 -0.368 1.00 1.00 C ATOM 386 C PRO A 23 -7.741 6.299 0.244 1.00 1.00 C ATOM 387 O PRO A 23 -8.770 5.812 0.712 1.00 1.00 O ATOM 388 CB PRO A 23 -7.369 8.784 0.716 1.00 1.00 C ATOM 389 CG PRO A 23 -8.027 10.041 0.219 1.00 1.00 C ATOM 390 CD PRO A 23 -9.329 9.577 -0.476 1.00 1.00 C ATOM 0 HA PRO A 23 -6.962 7.646 -1.160 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -7.754 8.493 1.693 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -6.292 8.914 0.823 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -8.242 10.723 1.041 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -7.379 10.575 -0.476 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -10.178 9.615 0.206 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -9.574 10.215 -1.326 1.00 1.00 H new ATOM 398 N LEU A 24 -6.576 5.658 0.257 1.00 1.00 N ATOM 399 CA LEU A 24 -6.431 4.298 0.796 1.00 1.00 C ATOM 400 C LEU A 24 -6.513 4.281 2.352 1.00 1.00 C ATOM 401 O LEU A 24 -5.639 4.866 2.991 1.00 1.00 O ATOM 402 CB LEU A 24 -5.077 3.720 0.328 1.00 1.00 C ATOM 403 CG LEU A 24 -4.952 3.773 -1.232 1.00 1.00 C ATOM 404 CD1 LEU A 24 -3.540 3.300 -1.652 1.00 1.00 C ATOM 405 CD2 LEU A 24 -6.018 2.863 -1.926 1.00 1.00 C ATOM 0 H LEU A 24 -5.709 6.058 -0.101 1.00 1.00 H new ATOM 0 HA LEU A 24 -7.253 3.686 0.423 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.261 4.283 0.781 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.980 2.689 0.669 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.121 4.803 -1.546 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -3.452 3.337 -2.738 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -2.790 3.952 -1.205 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.382 2.277 -1.309 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -5.901 2.925 -3.008 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.880 1.831 -1.605 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -7.018 3.198 -1.650 1.00 1.00 H new ATOM 417 N PRO A 25 -7.489 3.654 2.952 1.00 1.00 N ATOM 418 CA PRO A 25 -7.580 3.607 4.462 1.00 1.00 C ATOM 419 C PRO A 25 -6.300 3.065 5.124 1.00 1.00 C ATOM 420 O PRO A 25 -5.458 2.439 4.479 1.00 1.00 O ATOM 421 CB PRO A 25 -8.795 2.668 4.744 1.00 1.00 C ATOM 422 CG PRO A 25 -9.646 2.803 3.518 1.00 1.00 C ATOM 423 CD PRO A 25 -8.647 2.918 2.351 1.00 1.00 C ATOM 0 HA PRO A 25 -7.703 4.606 4.881 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -8.476 1.637 4.898 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -9.335 2.972 5.641 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -10.300 1.940 3.394 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -10.287 3.683 3.577 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -8.350 1.937 1.979 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -9.075 3.462 1.509 1.00 1.00 H new ATOM 431 N GLU A 26 -6.174 3.295 6.427 1.00 1.00 N ATOM 432 CA GLU A 26 -5.020 2.844 7.202 1.00 1.00 C ATOM 433 C GLU A 26 -5.246 1.415 7.685 1.00 1.00 C ATOM 434 O GLU A 26 -6.373 0.975 7.912 1.00 1.00 O ATOM 435 CB GLU A 26 -4.806 3.781 8.417 1.00 1.00 C ATOM 436 CG GLU A 26 -4.680 5.255 7.960 1.00 1.00 C ATOM 437 CD GLU A 26 -3.494 5.452 7.005 1.00 1.00 C ATOM 438 OE1 GLU A 26 -2.398 5.045 7.356 1.00 1.00 O ATOM 439 OE2 GLU A 26 -3.705 6.009 5.937 1.00 1.00 O ATOM 0 H GLU A 26 -6.869 3.800 6.977 1.00 1.00 H new ATOM 0 HA GLU A 26 -4.133 2.870 6.569 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.641 3.681 9.111 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -3.906 3.485 8.956 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -5.601 5.563 7.465 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.556 5.897 8.832 1.00 1.00 H new ATOM 446 N VAL A 27 -4.153 0.675 7.842 1.00 1.00 N ATOM 447 CA VAL A 27 -4.202 -0.719 8.301 1.00 1.00 C ATOM 448 C VAL A 27 -2.940 -1.074 9.100 1.00 1.00 C ATOM 449 O VAL A 27 -1.829 -0.643 8.785 1.00 1.00 O ATOM 450 CB VAL A 27 -4.373 -1.649 7.073 1.00 1.00 C ATOM 451 CG1 VAL A 27 -3.180 -1.493 6.097 1.00 1.00 C ATOM 452 CG2 VAL A 27 -4.496 -3.128 7.516 1.00 1.00 C ATOM 0 H VAL A 27 -3.210 1.018 7.657 1.00 1.00 H new ATOM 0 HA VAL A 27 -5.053 -0.854 8.969 1.00 1.00 H new ATOM 0 HB VAL A 27 -5.290 -1.358 6.560 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -3.320 -2.155 5.242 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -3.125 -0.461 5.752 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -2.254 -1.754 6.610 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -4.615 -3.762 6.638 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -3.596 -3.422 8.056 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -5.363 -3.242 8.166 1.00 1.00 H new ATOM 462 N SER A 28 -3.110 -1.872 10.148 1.00 1.00 N ATOM 463 CA SER A 28 -1.991 -2.301 11.006 1.00 1.00 C ATOM 464 C SER A 28 -1.365 -3.595 10.468 1.00 1.00 C ATOM 465 O SER A 28 -1.932 -4.305 9.637 1.00 1.00 O ATOM 466 CB SER A 28 -2.507 -2.520 12.439 1.00 1.00 C ATOM 467 OG SER A 28 -3.061 -1.301 12.923 1.00 1.00 O ATOM 0 H SER A 28 -4.017 -2.242 10.433 1.00 1.00 H new ATOM 0 HA SER A 28 -1.225 -1.526 11.008 1.00 1.00 H new ATOM 0 HB2 SER A 28 -3.261 -3.307 12.452 1.00 1.00 H new ATOM 0 HB3 SER A 28 -1.693 -2.847 13.086 1.00 1.00 H new ATOM 0 HG SER A 28 -3.394 -1.432 13.835 1.00 1.00 H new ATOM 473 N VAL A 29 -0.170 -3.904 10.962 1.00 1.00 N ATOM 474 CA VAL A 29 0.569 -5.128 10.532 1.00 1.00 C ATOM 475 C VAL A 29 1.109 -5.872 11.750 1.00 1.00 C ATOM 476 O VAL A 29 1.272 -5.273 12.813 1.00 1.00 O ATOM 477 CB VAL A 29 1.740 -4.712 9.576 1.00 1.00 C ATOM 478 CG1 VAL A 29 1.183 -3.834 8.424 1.00 1.00 C ATOM 479 CG2 VAL A 29 2.842 -3.903 10.324 1.00 1.00 C ATOM 0 H VAL A 29 0.320 -3.340 11.656 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.108 -5.796 9.999 1.00 1.00 H new ATOM 0 HB VAL A 29 2.185 -5.628 9.188 1.00 1.00 H new ATOM 0 HG11 VAL A 29 1.998 -3.545 7.760 1.00 1.00 H new ATOM 0 HG12 VAL A 29 0.440 -4.400 7.862 1.00 1.00 H new ATOM 0 HG13 VAL A 29 0.720 -2.939 8.840 1.00 1.00 H new ATOM 0 HG21 VAL A 29 3.634 -3.635 9.625 1.00 1.00 H new ATOM 0 HG22 VAL A 29 2.406 -2.996 10.744 1.00 1.00 H new ATOM 0 HG23 VAL A 29 3.258 -4.511 11.127 1.00 1.00 H new ATOM 489 N THR A 30 1.418 -7.159 11.628 1.00 1.00 N ATOM 490 CA THR A 30 1.971 -7.927 12.765 1.00 1.00 C ATOM 491 C THR A 30 3.355 -8.458 12.401 1.00 1.00 C ATOM 492 O THR A 30 3.501 -9.247 11.468 1.00 1.00 O ATOM 493 CB THR A 30 1.015 -9.097 13.118 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.316 -8.597 13.164 1.00 1.00 O ATOM 495 CG2 THR A 30 1.360 -9.679 14.510 1.00 1.00 C ATOM 0 H THR A 30 1.301 -7.697 10.769 1.00 1.00 H new ATOM 0 HA THR A 30 2.064 -7.277 13.635 1.00 1.00 H new ATOM 0 HB THR A 30 1.118 -9.878 12.364 1.00 1.00 H new ATOM 0 HG1 THR A 30 -0.932 -9.327 13.385 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.679 -10.498 14.741 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.385 -10.049 14.506 1.00 1.00 H new ATOM 0 HG23 THR A 30 1.259 -8.900 15.265 1.00 1.00 H new ATOM 503 N ILE A 31 4.376 -8.053 13.149 1.00 1.00 N ATOM 504 CA ILE A 31 5.766 -8.492 12.920 1.00 1.00 C ATOM 505 C ILE A 31 6.325 -9.090 14.216 1.00 1.00 C ATOM 506 O ILE A 31 6.097 -8.594 15.318 1.00 1.00 O ATOM 507 CB ILE A 31 6.631 -7.297 12.433 1.00 1.00 C ATOM 508 CG1 ILE A 31 6.039 -6.717 11.102 1.00 1.00 C ATOM 509 CG2 ILE A 31 8.094 -7.745 12.197 1.00 1.00 C ATOM 510 CD1 ILE A 31 6.019 -7.734 9.923 1.00 1.00 C ATOM 0 H ILE A 31 4.273 -7.410 13.934 1.00 1.00 H new ATOM 0 HA ILE A 31 5.789 -9.257 12.143 1.00 1.00 H new ATOM 0 HB ILE A 31 6.619 -6.526 13.203 1.00 1.00 H new ATOM 0 HG12 ILE A 31 5.022 -6.372 11.288 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.622 -5.845 10.806 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.684 -6.895 11.856 1.00 1.00 H new ATOM 0 HG22 ILE A 31 8.512 -8.127 13.128 1.00 1.00 H new ATOM 0 HG23 ILE A 31 8.117 -8.529 11.440 1.00 1.00 H new ATOM 0 HD11 ILE A 31 5.596 -7.258 9.039 1.00 1.00 H new ATOM 0 HD12 ILE A 31 7.036 -8.061 9.707 1.00 1.00 H new ATOM 0 HD13 ILE A 31 5.411 -8.596 10.197 1.00 1.00 H new ATOM 522 N ARG A 32 7.084 -10.172 14.071 1.00 1.00 N ATOM 523 CA ARG A 32 7.700 -10.868 15.224 1.00 1.00 C ATOM 524 C ARG A 32 9.217 -10.709 15.163 1.00 1.00 C ATOM 525 O ARG A 32 9.872 -11.158 14.222 1.00 1.00 O ATOM 526 CB ARG A 32 7.319 -12.365 15.183 1.00 1.00 C ATOM 527 CG ARG A 32 7.872 -13.097 16.432 1.00 1.00 C ATOM 528 CD ARG A 32 7.489 -14.580 16.404 1.00 1.00 C ATOM 529 NE ARG A 32 7.951 -15.214 17.642 1.00 1.00 N ATOM 530 CZ ARG A 32 9.250 -15.450 17.878 1.00 1.00 C ATOM 531 NH1 ARG A 32 10.155 -15.174 16.976 1.00 1.00 N ATOM 532 NH2 ARG A 32 9.616 -15.959 19.020 1.00 1.00 N ATOM 0 H ARG A 32 7.295 -10.596 13.168 1.00 1.00 H new ATOM 0 HA ARG A 32 7.335 -10.433 16.155 1.00 1.00 H new ATOM 0 HB2 ARG A 32 6.235 -12.470 15.142 1.00 1.00 H new ATOM 0 HB3 ARG A 32 7.718 -12.824 14.278 1.00 1.00 H new ATOM 0 HG2 ARG A 32 8.957 -12.997 16.468 1.00 1.00 H new ATOM 0 HG3 ARG A 32 7.479 -12.632 17.336 1.00 1.00 H new ATOM 0 HD2 ARG A 32 6.409 -14.688 16.306 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.939 -15.069 15.540 1.00 1.00 H new ATOM 0 HE ARG A 32 7.264 -15.484 18.346 1.00 1.00 H new ATOM 0 HH11 ARG A 32 9.877 -14.774 16.080 1.00 1.00 H new ATOM 0 HH12 ARG A 32 11.140 -15.358 17.168 1.00 1.00 H new ATOM 0 HH21 ARG A 32 8.916 -16.176 19.729 1.00 1.00 H new ATOM 0 HH22 ARG A 32 10.603 -16.141 19.205 1.00 1.00 H new ATOM 546 N ALA A 33 9.784 -10.063 16.178 1.00 1.00 N ATOM 547 CA ALA A 33 11.231 -9.834 16.225 1.00 1.00 C ATOM 548 C ALA A 33 11.656 -9.375 17.627 1.00 1.00 C ATOM 549 O ALA A 33 10.828 -9.199 18.522 1.00 1.00 O ATOM 550 CB ALA A 33 11.631 -8.802 15.120 1.00 1.00 C ATOM 0 H ALA A 33 9.270 -9.690 16.976 1.00 1.00 H new ATOM 0 HA ALA A 33 11.759 -10.766 16.022 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.707 -8.631 15.154 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.357 -9.193 14.140 1.00 1.00 H new ATOM 0 HB3 ALA A 33 11.108 -7.861 15.294 1.00 1.00 H new ATOM 556 N TYR A 34 12.956 -9.165 17.804 1.00 1.00 N ATOM 557 CA TYR A 34 13.514 -8.731 19.087 1.00 1.00 C ATOM 558 C TYR A 34 13.057 -7.288 19.430 1.00 1.00 C ATOM 559 O TYR A 34 12.897 -6.490 18.507 1.00 1.00 O ATOM 560 CB TYR A 34 15.058 -8.790 18.997 1.00 1.00 C ATOM 561 CG TYR A 34 15.510 -10.242 18.776 1.00 1.00 C ATOM 562 CD1 TYR A 34 15.655 -11.104 19.881 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.765 -10.732 17.479 1.00 1.00 C ATOM 564 CE1 TYR A 34 16.056 -12.433 19.691 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.164 -12.062 17.297 1.00 1.00 C ATOM 566 CZ TYR A 34 16.309 -12.912 18.401 1.00 1.00 C ATOM 567 OH TYR A 34 16.700 -14.223 18.219 1.00 1.00 O ATOM 0 H TYR A 34 13.652 -9.289 17.069 1.00 1.00 H new ATOM 0 HA TYR A 34 13.157 -9.391 19.877 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.408 -8.162 18.178 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.500 -8.397 19.912 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.456 -10.739 20.878 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.653 -10.081 16.625 1.00 1.00 H new ATOM 0 HE1 TYR A 34 16.170 -13.089 20.542 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.361 -12.434 16.302 1.00 1.00 H new ATOM 0 HH TYR A 34 16.834 -14.395 17.264 1.00 1.00 H new ATOM 577 N PRO A 35 12.869 -6.941 20.674 1.00 1.00 N ATOM 578 CA PRO A 35 12.450 -5.545 21.043 1.00 1.00 C ATOM 579 C PRO A 35 13.596 -4.525 20.845 1.00 1.00 C ATOM 580 O PRO A 35 13.346 -3.329 20.688 1.00 1.00 O ATOM 581 CB PRO A 35 12.007 -5.670 22.532 1.00 1.00 C ATOM 582 CG PRO A 35 12.816 -6.823 23.076 1.00 1.00 C ATOM 583 CD PRO A 35 13.006 -7.795 21.888 1.00 1.00 C ATOM 0 HA PRO A 35 11.649 -5.164 20.409 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.207 -4.751 23.083 1.00 1.00 H new ATOM 0 HB3 PRO A 35 10.937 -5.864 22.612 1.00 1.00 H new ATOM 0 HG2 PRO A 35 13.777 -6.481 23.460 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.298 -7.310 23.902 1.00 1.00 H new ATOM 0 HD2 PRO A 35 13.982 -8.278 21.924 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.258 -8.587 21.901 1.00 1.00 H new ATOM 591 N GLU A 36 14.833 -5.001 20.885 1.00 1.00 N ATOM 592 CA GLU A 36 16.011 -4.123 20.726 1.00 1.00 C ATOM 593 C GLU A 36 16.028 -3.462 19.332 1.00 1.00 C ATOM 594 O GLU A 36 16.344 -2.281 19.191 1.00 1.00 O ATOM 595 CB GLU A 36 17.304 -4.955 20.968 1.00 1.00 C ATOM 596 CG GLU A 36 17.626 -5.881 19.751 1.00 1.00 C ATOM 597 CD GLU A 36 18.631 -6.971 20.133 1.00 1.00 C ATOM 598 OE1 GLU A 36 19.813 -6.683 20.132 1.00 1.00 O ATOM 599 OE2 GLU A 36 18.196 -8.080 20.409 1.00 1.00 O ATOM 0 H GLU A 36 15.059 -5.986 21.025 1.00 1.00 H new ATOM 0 HA GLU A 36 15.960 -3.320 21.461 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.143 -4.282 21.146 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.185 -5.561 21.866 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.707 -6.341 19.388 1.00 1.00 H new ATOM 0 HG3 GLU A 36 18.028 -5.283 18.933 1.00 1.00 H new ATOM 606 N ILE A 37 15.685 -4.230 18.302 1.00 1.00 N ATOM 607 CA ILE A 37 15.672 -3.695 16.914 1.00 1.00 C ATOM 608 C ILE A 37 14.334 -3.006 16.634 1.00 1.00 C ATOM 609 O ILE A 37 14.277 -2.010 15.913 1.00 1.00 O ATOM 610 CB ILE A 37 15.961 -4.825 15.873 1.00 1.00 C ATOM 611 CG1 ILE A 37 14.827 -5.895 15.902 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.350 -5.501 16.162 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.174 -7.119 15.031 1.00 1.00 C ATOM 0 H ILE A 37 15.414 -5.210 18.383 1.00 1.00 H new ATOM 0 HA ILE A 37 16.467 -2.956 16.816 1.00 1.00 H new ATOM 0 HB ILE A 37 15.993 -4.375 14.881 1.00 1.00 H new ATOM 0 HG12 ILE A 37 14.656 -6.216 16.929 1.00 1.00 H new ATOM 0 HG13 ILE A 37 13.897 -5.449 15.549 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.533 -6.285 15.427 1.00 1.00 H new ATOM 0 HG22 ILE A 37 18.139 -4.752 16.098 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.342 -5.936 17.162 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.359 -7.841 15.078 1.00 1.00 H new ATOM 0 HD12 ILE A 37 15.319 -6.801 13.998 1.00 1.00 H new ATOM 0 HD13 ILE A 37 16.090 -7.581 15.400 1.00 1.00 H new ATOM 625 N LEU A 38 13.258 -3.534 17.206 1.00 1.00 N ATOM 626 CA LEU A 38 11.915 -2.942 17.018 1.00 1.00 C ATOM 627 C LEU A 38 11.848 -1.589 17.731 1.00 1.00 C ATOM 628 O LEU A 38 11.220 -0.648 17.244 1.00 1.00 O ATOM 629 CB LEU A 38 10.814 -3.892 17.552 1.00 1.00 C ATOM 630 CG LEU A 38 10.681 -5.198 16.681 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.880 -6.270 17.456 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.941 -4.905 15.337 1.00 1.00 C ATOM 0 H LEU A 38 13.276 -4.363 17.800 1.00 1.00 H new ATOM 0 HA LEU A 38 11.741 -2.795 15.952 1.00 1.00 H new ATOM 0 HB2 LEU A 38 11.041 -4.166 18.582 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.859 -3.367 17.565 1.00 1.00 H new ATOM 0 HG LEU A 38 11.688 -5.557 16.466 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.792 -7.170 16.847 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.397 -6.510 18.385 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.885 -5.887 17.683 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.864 -5.824 14.756 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.942 -4.524 15.547 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.500 -4.162 14.768 1.00 1.00 H new ATOM 644 N ASN A 39 12.504 -1.488 18.882 1.00 1.00 N ATOM 645 CA ASN A 39 12.523 -0.245 19.669 1.00 1.00 C ATOM 646 C ASN A 39 13.401 0.792 18.976 1.00 1.00 C ATOM 647 O ASN A 39 13.376 1.977 19.310 1.00 1.00 O ATOM 648 CB ASN A 39 13.055 -0.535 21.091 1.00 1.00 C ATOM 649 CG ASN A 39 13.087 0.738 21.942 1.00 1.00 C ATOM 650 OD1 ASN A 39 14.159 1.214 22.314 1.00 1.00 O ATOM 651 ND2 ASN A 39 11.963 1.314 22.268 1.00 1.00 N ATOM 0 H ASN A 39 13.035 -2.253 19.299 1.00 1.00 H new ATOM 0 HA ASN A 39 11.510 0.149 19.746 1.00 1.00 H new ATOM 0 HB2 ASN A 39 12.424 -1.282 21.573 1.00 1.00 H new ATOM 0 HB3 ASN A 39 14.057 -0.958 21.028 1.00 1.00 H new ATOM 0 HD21 ASN A 39 11.970 2.163 22.834 1.00 1.00 H new ATOM 0 HD22 ASN A 39 11.077 0.916 21.957 1.00 1.00 H new ATOM 658 N ASN A 40 14.185 0.346 18.000 1.00 1.00 N ATOM 659 CA ASN A 40 15.095 1.228 17.238 1.00 1.00 C ATOM 660 C ASN A 40 14.511 1.544 15.866 1.00 1.00 C ATOM 661 O ASN A 40 14.763 2.611 15.305 1.00 1.00 O ATOM 662 CB ASN A 40 16.460 0.522 17.076 1.00 1.00 C ATOM 663 CG ASN A 40 17.469 1.440 16.373 1.00 1.00 C ATOM 664 OD1 ASN A 40 17.723 1.283 15.181 1.00 1.00 O ATOM 665 ND2 ASN A 40 18.044 2.394 17.049 1.00 1.00 N ATOM 0 H ASN A 40 14.216 -0.631 17.707 1.00 1.00 H new ATOM 0 HA ASN A 40 15.223 2.165 17.780 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.844 0.234 18.055 1.00 1.00 H new ATOM 0 HB3 ASN A 40 16.334 -0.395 16.501 1.00 1.00 H new ATOM 0 HD21 ASN A 40 18.709 3.016 16.589 1.00 1.00 H new ATOM 0 HD22 ASN A 40 17.829 2.519 18.038 1.00 1.00 H new ATOM 672 N LEU A 41 13.739 0.614 15.315 1.00 1.00 N ATOM 673 CA LEU A 41 13.135 0.772 13.994 1.00 1.00 C ATOM 674 C LEU A 41 12.164 1.963 14.010 1.00 1.00 C ATOM 675 O LEU A 41 11.436 2.192 14.975 1.00 1.00 O ATOM 676 CB LEU A 41 12.388 -0.555 13.575 1.00 1.00 C ATOM 677 CG LEU A 41 12.683 -0.987 12.096 1.00 1.00 C ATOM 678 CD1 LEU A 41 12.255 0.120 11.107 1.00 1.00 C ATOM 679 CD2 LEU A 41 14.200 -1.356 11.879 1.00 1.00 C ATOM 0 H LEU A 41 13.513 -0.271 15.770 1.00 1.00 H new ATOM 0 HA LEU A 41 13.917 0.968 13.260 1.00 1.00 H new ATOM 0 HB2 LEU A 41 12.684 -1.360 14.248 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.314 -0.415 13.699 1.00 1.00 H new ATOM 0 HG LEU A 41 12.095 -1.884 11.901 1.00 1.00 H new ATOM 0 HD11 LEU A 41 12.469 -0.201 10.087 1.00 1.00 H new ATOM 0 HD12 LEU A 41 11.187 0.308 11.212 1.00 1.00 H new ATOM 0 HD13 LEU A 41 12.808 1.034 11.323 1.00 1.00 H new ATOM 0 HD21 LEU A 41 14.358 -1.649 10.841 1.00 1.00 H new ATOM 0 HD22 LEU A 41 14.822 -0.491 12.111 1.00 1.00 H new ATOM 0 HD23 LEU A 41 14.471 -2.183 12.535 1.00 1.00 H new ATOM 691 N THR A 42 12.165 2.738 12.930 1.00 1.00 N ATOM 692 CA THR A 42 11.269 3.913 12.810 1.00 1.00 C ATOM 693 C THR A 42 10.385 3.761 11.578 1.00 1.00 C ATOM 694 O THR A 42 10.785 3.211 10.551 1.00 1.00 O ATOM 695 CB THR A 42 12.104 5.201 12.710 1.00 1.00 C ATOM 696 OG1 THR A 42 11.243 6.291 12.411 1.00 1.00 O ATOM 697 CG2 THR A 42 13.170 5.076 11.611 1.00 1.00 C ATOM 0 H THR A 42 12.768 2.586 12.122 1.00 1.00 H new ATOM 0 HA THR A 42 10.636 3.974 13.695 1.00 1.00 H new ATOM 0 HB THR A 42 12.607 5.369 13.662 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.769 7.115 12.348 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.748 5.998 11.558 1.00 1.00 H new ATOM 0 HG22 THR A 42 13.835 4.244 11.842 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.684 4.897 10.652 1.00 1.00 H new ATOM 705 N LYS A 43 9.157 4.256 11.683 1.00 1.00 N ATOM 706 CA LYS A 43 8.188 4.163 10.588 1.00 1.00 C ATOM 707 C LYS A 43 8.769 4.711 9.277 1.00 1.00 C ATOM 708 O LYS A 43 8.540 4.155 8.201 1.00 1.00 O ATOM 709 CB LYS A 43 6.942 4.974 10.968 1.00 1.00 C ATOM 710 CG LYS A 43 6.278 4.383 12.233 1.00 1.00 C ATOM 711 CD LYS A 43 5.080 5.261 12.642 1.00 1.00 C ATOM 712 CE LYS A 43 4.374 4.665 13.868 1.00 1.00 C ATOM 713 NZ LYS A 43 5.339 4.603 15.001 1.00 1.00 N ATOM 0 H LYS A 43 8.805 4.728 12.516 1.00 1.00 H new ATOM 0 HA LYS A 43 7.936 3.114 10.432 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.218 6.013 11.146 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.232 4.970 10.141 1.00 1.00 H new ATOM 0 HG2 LYS A 43 5.946 3.363 12.040 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.001 4.334 13.047 1.00 1.00 H new ATOM 0 HD2 LYS A 43 5.421 6.272 12.866 1.00 1.00 H new ATOM 0 HD3 LYS A 43 4.378 5.339 11.812 1.00 1.00 H new ATOM 0 HE2 LYS A 43 3.513 5.275 14.140 1.00 1.00 H new ATOM 0 HE3 LYS A 43 3.998 3.668 13.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 4.819 4.480 15.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 5.985 3.800 14.863 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 5.887 5.486 15.039 1.00 1.00 H new ATOM 727 N GLU A 44 9.520 5.805 9.358 1.00 1.00 N ATOM 728 CA GLU A 44 10.126 6.436 8.183 1.00 1.00 C ATOM 729 C GLU A 44 10.987 5.439 7.402 1.00 1.00 C ATOM 730 O GLU A 44 11.238 5.619 6.211 1.00 1.00 O ATOM 731 CB GLU A 44 10.992 7.636 8.633 1.00 1.00 C ATOM 732 CG GLU A 44 10.128 8.697 9.362 1.00 1.00 C ATOM 733 CD GLU A 44 9.107 9.331 8.407 1.00 1.00 C ATOM 734 OE1 GLU A 44 9.515 9.760 7.339 1.00 1.00 O ATOM 735 OE2 GLU A 44 7.940 9.384 8.759 1.00 1.00 O ATOM 0 H GLU A 44 9.727 6.281 10.236 1.00 1.00 H new ATOM 0 HA GLU A 44 9.328 6.781 7.526 1.00 1.00 H new ATOM 0 HB2 GLU A 44 11.785 7.289 9.295 1.00 1.00 H new ATOM 0 HB3 GLU A 44 11.475 8.087 7.766 1.00 1.00 H new ATOM 0 HG2 GLU A 44 9.607 8.233 10.200 1.00 1.00 H new ATOM 0 HG3 GLU A 44 10.772 9.472 9.777 1.00 1.00 H new ATOM 742 N GLN A 45 11.440 4.380 8.067 1.00 1.00 N ATOM 743 CA GLN A 45 12.280 3.360 7.425 1.00 1.00 C ATOM 744 C GLN A 45 11.442 2.438 6.547 1.00 1.00 C ATOM 745 O GLN A 45 11.894 2.004 5.488 1.00 1.00 O ATOM 746 CB GLN A 45 13.016 2.525 8.501 1.00 1.00 C ATOM 747 CG GLN A 45 14.076 1.575 7.873 1.00 1.00 C ATOM 748 CD GLN A 45 15.211 2.376 7.223 1.00 1.00 C ATOM 749 OE1 GLN A 45 15.933 3.099 7.910 1.00 1.00 O ATOM 750 NE2 GLN A 45 15.395 2.307 5.932 1.00 1.00 N ATOM 0 H GLN A 45 11.242 4.201 9.051 1.00 1.00 H new ATOM 0 HA GLN A 45 13.011 3.869 6.796 1.00 1.00 H new ATOM 0 HB2 GLN A 45 13.503 3.195 9.210 1.00 1.00 H new ATOM 0 HB3 GLN A 45 12.290 1.938 9.064 1.00 1.00 H new ATOM 0 HG2 GLN A 45 14.483 0.918 8.642 1.00 1.00 H new ATOM 0 HG3 GLN A 45 13.602 0.937 7.127 1.00 1.00 H new ATOM 0 HE21 GLN A 45 14.797 1.708 5.363 1.00 1.00 H new ATOM 0 HE22 GLN A 45 16.137 2.852 5.493 1.00 1.00 H new ATOM 759 N ILE A 46 10.227 2.125 6.987 1.00 1.00 N ATOM 760 CA ILE A 46 9.349 1.214 6.250 1.00 1.00 C ATOM 761 C ILE A 46 8.856 1.877 4.970 1.00 1.00 C ATOM 762 O ILE A 46 8.284 2.967 4.991 1.00 1.00 O ATOM 763 CB ILE A 46 8.128 0.802 7.139 1.00 1.00 C ATOM 764 CG1 ILE A 46 8.596 0.506 8.602 1.00 1.00 C ATOM 765 CG2 ILE A 46 7.440 -0.464 6.549 1.00 1.00 C ATOM 766 CD1 ILE A 46 9.757 -0.501 8.643 1.00 1.00 C ATOM 0 H ILE A 46 9.825 2.488 7.851 1.00 1.00 H new ATOM 0 HA ILE A 46 9.916 0.320 5.990 1.00 1.00 H new ATOM 0 HB ILE A 46 7.416 1.628 7.152 1.00 1.00 H new ATOM 0 HG12 ILE A 46 8.906 1.436 9.079 1.00 1.00 H new ATOM 0 HG13 ILE A 46 7.757 0.116 9.179 1.00 1.00 H new ATOM 0 HG21 ILE A 46 6.592 -0.742 7.175 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.091 -0.251 5.539 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.155 -1.286 6.520 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.050 -0.677 9.678 1.00 1.00 H new ATOM 0 HD12 ILE A 46 9.440 -1.441 8.191 1.00 1.00 H new ATOM 0 HD13 ILE A 46 10.606 -0.100 8.089 1.00 1.00 H new ATOM 778 N SER A 47 9.070 1.214 3.838 1.00 1.00 N ATOM 779 CA SER A 47 8.639 1.740 2.522 1.00 1.00 C ATOM 780 C SER A 47 7.422 0.955 2.020 1.00 1.00 C ATOM 781 O SER A 47 7.517 -0.220 1.664 1.00 1.00 O ATOM 782 CB SER A 47 9.801 1.628 1.532 1.00 1.00 C ATOM 783 OG SER A 47 9.566 2.503 0.430 1.00 1.00 O ATOM 0 H SER A 47 9.539 0.309 3.793 1.00 1.00 H new ATOM 0 HA SER A 47 8.354 2.788 2.618 1.00 1.00 H new ATOM 0 HB2 SER A 47 10.739 1.887 2.023 1.00 1.00 H new ATOM 0 HB3 SER A 47 9.898 0.600 1.181 1.00 1.00 H new ATOM 0 HG SER A 47 9.182 1.995 -0.315 1.00 1.00 H new ATOM 789 N LEU A 48 6.269 1.614 1.995 1.00 1.00 N ATOM 790 CA LEU A 48 5.003 0.981 1.555 1.00 1.00 C ATOM 791 C LEU A 48 4.394 1.748 0.390 1.00 1.00 C ATOM 792 O LEU A 48 4.212 2.966 0.440 1.00 1.00 O ATOM 793 CB LEU A 48 4.001 0.956 2.741 1.00 1.00 C ATOM 794 CG LEU A 48 4.620 0.248 3.981 1.00 1.00 C ATOM 795 CD1 LEU A 48 3.637 0.323 5.167 1.00 1.00 C ATOM 796 CD2 LEU A 48 4.943 -1.248 3.679 1.00 1.00 C ATOM 0 H LEU A 48 6.171 2.591 2.273 1.00 1.00 H new ATOM 0 HA LEU A 48 5.216 -0.036 1.227 1.00 1.00 H new ATOM 0 HB2 LEU A 48 3.718 1.975 3.004 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.089 0.439 2.440 1.00 1.00 H new ATOM 0 HG LEU A 48 5.550 0.759 4.230 1.00 1.00 H new ATOM 0 HD11 LEU A 48 4.074 -0.174 6.033 1.00 1.00 H new ATOM 0 HD12 LEU A 48 3.438 1.367 5.409 1.00 1.00 H new ATOM 0 HD13 LEU A 48 2.704 -0.171 4.898 1.00 1.00 H new ATOM 0 HD21 LEU A 48 5.374 -1.713 4.565 1.00 1.00 H new ATOM 0 HD22 LEU A 48 4.026 -1.770 3.405 1.00 1.00 H new ATOM 0 HD23 LEU A 48 5.655 -1.308 2.856 1.00 1.00 H new ATOM 808 N TRP A 49 4.054 1.019 -0.667 1.00 1.00 N ATOM 809 CA TRP A 49 3.444 1.600 -1.849 1.00 1.00 C ATOM 810 C TRP A 49 2.723 0.511 -2.641 1.00 1.00 C ATOM 811 O TRP A 49 2.671 -0.649 -2.237 1.00 1.00 O ATOM 812 CB TRP A 49 4.520 2.329 -2.711 1.00 1.00 C ATOM 813 CG TRP A 49 5.363 1.346 -3.494 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.040 0.835 -4.707 1.00 1.00 C ATOM 815 CD2 TRP A 49 6.642 0.748 -3.140 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.030 -0.024 -5.117 1.00 1.00 N ATOM 817 CE2 TRP A 49 7.041 -0.118 -4.187 1.00 1.00 C ATOM 818 CE3 TRP A 49 7.490 0.868 -2.026 1.00 1.00 C ATOM 819 CZ2 TRP A 49 8.232 -0.837 -4.134 1.00 1.00 C ATOM 820 CZ3 TRP A 49 8.694 0.146 -1.972 1.00 1.00 C ATOM 821 CH2 TRP A 49 9.064 -0.705 -3.021 1.00 1.00 C ATOM 0 H TRP A 49 4.195 0.010 -0.725 1.00 1.00 H new ATOM 0 HA TRP A 49 2.707 2.346 -1.552 1.00 1.00 H new ATOM 0 HB2 TRP A 49 4.031 3.019 -3.399 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.162 2.926 -2.064 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.144 1.067 -5.264 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.018 -0.530 -6.002 1.00 1.00 H new ATOM 0 HE3 TRP A 49 7.215 1.518 -1.208 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.510 -1.491 -4.947 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 9.341 0.248 -1.113 1.00 1.00 H new ATOM 0 HH2 TRP A 49 9.990 -1.258 -2.969 1.00 1.00 H new ATOM 832 N ILE A 50 2.162 0.892 -3.785 1.00 1.00 N ATOM 833 CA ILE A 50 1.430 -0.050 -4.660 1.00 1.00 C ATOM 834 C ILE A 50 1.694 0.281 -6.134 1.00 1.00 C ATOM 835 O ILE A 50 1.863 1.441 -6.515 1.00 1.00 O ATOM 836 CB ILE A 50 -0.109 0.009 -4.377 1.00 1.00 C ATOM 837 CG1 ILE A 50 -0.352 0.110 -2.842 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.802 -1.260 -4.956 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.848 0.098 -2.489 1.00 1.00 C ATOM 0 H ILE A 50 2.195 1.848 -4.138 1.00 1.00 H new ATOM 0 HA ILE A 50 1.787 -1.057 -4.446 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.535 0.888 -4.860 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.144 -0.722 -2.342 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.102 1.026 -2.464 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.872 -1.213 -4.756 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.636 -1.306 -6.032 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.384 -2.150 -4.486 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.967 0.170 -1.408 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -2.341 0.945 -2.966 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -2.298 -0.830 -2.842 1.00 1.00 H new ATOM 851 N ASP A 51 1.706 -0.754 -6.968 1.00 1.00 N ATOM 852 CA ASP A 51 1.941 -0.594 -8.418 1.00 1.00 C ATOM 853 C ASP A 51 0.612 -0.627 -9.182 1.00 1.00 C ATOM 854 O ASP A 51 -0.009 -1.679 -9.329 1.00 1.00 O ATOM 855 CB ASP A 51 2.860 -1.733 -8.909 1.00 1.00 C ATOM 856 CG ASP A 51 2.255 -3.095 -8.564 1.00 1.00 C ATOM 857 OD1 ASP A 51 1.946 -3.305 -7.402 1.00 1.00 O ATOM 858 OD2 ASP A 51 2.118 -3.911 -9.463 1.00 1.00 O ATOM 0 H ASP A 51 1.556 -1.719 -6.674 1.00 1.00 H new ATOM 0 HA ASP A 51 2.419 0.369 -8.601 1.00 1.00 H new ATOM 0 HB2 ASP A 51 3.003 -1.654 -9.987 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.844 -1.638 -8.449 1.00 1.00 H new ATOM 863 N ALA A 52 0.186 0.530 -9.681 1.00 1.00 N ATOM 864 CA ALA A 52 -1.070 0.636 -10.444 1.00 1.00 C ATOM 865 C ALA A 52 -0.809 0.431 -11.938 1.00 1.00 C ATOM 866 O ALA A 52 -1.734 0.481 -12.748 1.00 1.00 O ATOM 867 CB ALA A 52 -1.712 2.005 -10.172 1.00 1.00 C ATOM 0 H ALA A 52 0.687 1.412 -9.575 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.760 -0.145 -10.123 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.642 2.089 -10.734 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.922 2.103 -9.107 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -1.028 2.795 -10.482 1.00 1.00 H new ATOM 873 N THR A 53 0.443 0.180 -12.306 1.00 1.00 N ATOM 874 CA THR A 53 0.806 -0.057 -13.713 1.00 1.00 C ATOM 875 C THR A 53 0.285 -1.419 -14.132 1.00 1.00 C ATOM 876 O THR A 53 0.037 -2.293 -13.301 1.00 1.00 O ATOM 877 CB THR A 53 2.349 -0.009 -13.913 1.00 1.00 C ATOM 878 OG1 THR A 53 2.704 -0.715 -15.098 1.00 1.00 O ATOM 879 CG2 THR A 53 3.075 -0.652 -12.710 1.00 1.00 C ATOM 0 H THR A 53 1.228 0.134 -11.656 1.00 1.00 H new ATOM 0 HA THR A 53 0.360 0.727 -14.325 1.00 1.00 H new ATOM 0 HB THR A 53 2.650 1.035 -13.996 1.00 1.00 H new ATOM 0 HG1 THR A 53 3.676 -0.681 -15.221 1.00 1.00 H new ATOM 0 HG21 THR A 53 4.152 -0.608 -12.869 1.00 1.00 H new ATOM 0 HG22 THR A 53 2.821 -0.110 -11.799 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.765 -1.692 -12.611 1.00 1.00 H new ATOM 887 N GLY A 54 0.121 -1.609 -15.436 1.00 1.00 N ATOM 888 CA GLY A 54 -0.408 -2.878 -15.978 1.00 1.00 C ATOM 889 C GLY A 54 -1.867 -3.129 -15.519 1.00 1.00 C ATOM 890 O GLY A 54 -2.676 -3.695 -16.253 1.00 1.00 O ATOM 0 H GLY A 54 0.343 -0.910 -16.144 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.367 -2.854 -17.067 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.224 -3.705 -15.653 1.00 1.00 H new ATOM 894 N LYS A 55 -2.176 -2.703 -14.299 1.00 1.00 N ATOM 895 CA LYS A 55 -3.507 -2.883 -13.730 1.00 1.00 C ATOM 896 C LYS A 55 -4.524 -2.071 -14.541 1.00 1.00 C ATOM 897 O LYS A 55 -4.255 -0.965 -15.010 1.00 1.00 O ATOM 898 CB LYS A 55 -3.525 -2.427 -12.225 1.00 1.00 C ATOM 899 CG LYS A 55 -3.080 -3.565 -11.258 1.00 1.00 C ATOM 900 CD LYS A 55 -1.582 -3.902 -11.443 1.00 1.00 C ATOM 901 CE LYS A 55 -1.188 -5.066 -10.513 1.00 1.00 C ATOM 902 NZ LYS A 55 -1.992 -6.273 -10.864 1.00 1.00 N ATOM 0 H LYS A 55 -1.518 -2.228 -13.682 1.00 1.00 H new ATOM 0 HA LYS A 55 -3.773 -3.939 -13.773 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -2.866 -1.568 -12.100 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.530 -2.099 -11.959 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.263 -3.262 -10.227 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -3.681 -4.456 -11.440 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.386 -4.172 -12.481 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -0.973 -3.026 -11.221 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -0.124 -5.282 -10.613 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -1.361 -4.790 -9.473 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -1.519 -7.124 -10.499 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -2.939 -6.195 -10.441 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -2.080 -6.343 -11.898 1.00 1.00 H new ATOM 916 N ALA A 56 -5.715 -2.642 -14.687 1.00 1.00 N ATOM 917 CA ALA A 56 -6.817 -2.007 -15.428 1.00 1.00 C ATOM 918 C ALA A 56 -7.856 -1.487 -14.449 1.00 1.00 C ATOM 919 O ALA A 56 -7.798 -1.754 -13.248 1.00 1.00 O ATOM 920 CB ALA A 56 -7.452 -3.041 -16.377 1.00 1.00 C ATOM 0 H ALA A 56 -5.951 -3.555 -14.299 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.435 -1.170 -16.013 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -8.269 -2.575 -16.928 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.700 -3.401 -17.079 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -7.837 -3.879 -15.796 1.00 1.00 H new ATOM 926 N VAL A 57 -8.824 -0.739 -14.967 1.00 1.00 N ATOM 927 CA VAL A 57 -9.889 -0.170 -14.154 1.00 1.00 C ATOM 928 C VAL A 57 -10.642 -1.289 -13.423 1.00 1.00 C ATOM 929 O VAL A 57 -10.855 -2.376 -13.961 1.00 1.00 O ATOM 930 CB VAL A 57 -10.874 0.645 -15.050 1.00 1.00 C ATOM 931 CG1 VAL A 57 -11.831 1.479 -14.163 1.00 1.00 C ATOM 932 CG2 VAL A 57 -10.086 1.605 -15.975 1.00 1.00 C ATOM 0 H VAL A 57 -8.891 -0.511 -15.959 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.450 0.502 -13.417 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.449 -0.056 -15.655 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.514 2.044 -14.797 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.402 0.812 -13.517 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -11.251 2.168 -13.550 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.784 2.168 -16.595 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.501 2.296 -15.368 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -9.418 1.028 -16.614 1.00 1.00 H new ATOM 942 N GLY A 58 -11.056 -1.018 -12.189 1.00 1.00 N ATOM 943 CA GLY A 58 -11.797 -1.985 -11.353 1.00 1.00 C ATOM 944 C GLY A 58 -11.095 -2.187 -10.022 1.00 1.00 C ATOM 945 O GLY A 58 -9.971 -1.726 -9.822 1.00 1.00 O ATOM 0 H GLY A 58 -10.892 -0.122 -11.730 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -12.812 -1.625 -11.184 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -11.879 -2.938 -11.876 1.00 1.00 H new ATOM 949 N GLU A 59 -11.767 -2.877 -9.105 1.00 1.00 N ATOM 950 CA GLU A 59 -11.220 -3.144 -7.757 1.00 1.00 C ATOM 951 C GLU A 59 -10.703 -4.586 -7.620 1.00 1.00 C ATOM 952 O GLU A 59 -11.375 -5.551 -7.984 1.00 1.00 O ATOM 953 CB GLU A 59 -12.315 -2.866 -6.694 1.00 1.00 C ATOM 954 CG GLU A 59 -13.573 -3.725 -6.955 1.00 1.00 C ATOM 955 CD GLU A 59 -14.668 -3.372 -5.948 1.00 1.00 C ATOM 956 OE1 GLU A 59 -15.334 -2.372 -6.158 1.00 1.00 O ATOM 957 OE2 GLU A 59 -14.822 -4.103 -4.983 1.00 1.00 O ATOM 0 H GLU A 59 -12.696 -3.267 -9.262 1.00 1.00 H new ATOM 0 HA GLU A 59 -10.370 -2.480 -7.600 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -11.924 -3.081 -5.699 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -12.582 -1.809 -6.710 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -13.933 -3.557 -7.970 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -13.323 -4.783 -6.876 1.00 1.00 H new ATOM 964 N HIS A 60 -9.497 -4.705 -7.078 1.00 1.00 N ATOM 965 CA HIS A 60 -8.862 -6.004 -6.860 1.00 1.00 C ATOM 966 C HIS A 60 -7.956 -5.952 -5.627 1.00 1.00 C ATOM 967 O HIS A 60 -7.472 -4.896 -5.217 1.00 1.00 O ATOM 968 CB HIS A 60 -8.062 -6.413 -8.117 1.00 1.00 C ATOM 969 CG HIS A 60 -7.522 -7.816 -7.967 1.00 1.00 C ATOM 970 ND1 HIS A 60 -8.358 -8.909 -7.801 1.00 1.00 N ATOM 971 CD2 HIS A 60 -6.242 -8.314 -7.937 1.00 1.00 C ATOM 972 CE1 HIS A 60 -7.580 -10.000 -7.674 1.00 1.00 C ATOM 973 NE2 HIS A 60 -6.283 -9.693 -7.749 1.00 1.00 N ATOM 0 H HIS A 60 -8.932 -3.910 -6.778 1.00 1.00 H new ATOM 0 HA HIS A 60 -9.632 -6.754 -6.681 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -8.702 -6.356 -8.997 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -7.240 -5.715 -8.275 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -5.342 -7.726 -8.043 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -7.959 -11.001 -7.529 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -5.491 -10.332 -7.683 1.00 1.00 H new ATOM 982 N THR A 61 -7.701 -7.120 -5.048 1.00 1.00 N ATOM 983 CA THR A 61 -6.818 -7.242 -3.873 1.00 1.00 C ATOM 984 C THR A 61 -5.371 -7.332 -4.367 1.00 1.00 C ATOM 985 O THR A 61 -5.076 -7.970 -5.377 1.00 1.00 O ATOM 986 CB THR A 61 -7.197 -8.506 -3.040 1.00 1.00 C ATOM 987 OG1 THR A 61 -7.574 -9.547 -3.925 1.00 1.00 O ATOM 988 CG2 THR A 61 -8.371 -8.210 -2.079 1.00 1.00 C ATOM 0 H THR A 61 -8.092 -8.006 -5.369 1.00 1.00 H new ATOM 0 HA THR A 61 -6.932 -6.373 -3.225 1.00 1.00 H new ATOM 0 HB THR A 61 -6.332 -8.801 -2.447 1.00 1.00 H new ATOM 0 HG1 THR A 61 -7.812 -10.345 -3.409 1.00 1.00 H new ATOM 0 HG21 THR A 61 -8.613 -9.109 -1.512 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.087 -7.413 -1.392 1.00 1.00 H new ATOM 0 HG23 THR A 61 -9.243 -7.899 -2.655 1.00 1.00 H new ATOM 996 N VAL A 62 -4.458 -6.684 -3.649 1.00 1.00 N ATOM 997 CA VAL A 62 -3.028 -6.687 -4.042 1.00 1.00 C ATOM 998 C VAL A 62 -2.126 -6.669 -2.812 1.00 1.00 C ATOM 999 O VAL A 62 -2.510 -6.228 -1.729 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.725 -5.464 -4.958 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.504 -5.575 -6.302 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -3.124 -4.153 -4.244 1.00 1.00 C ATOM 0 H VAL A 62 -4.665 -6.154 -2.803 1.00 1.00 H new ATOM 0 HA VAL A 62 -2.823 -7.603 -4.596 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.655 -5.455 -5.168 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.278 -4.711 -6.926 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.206 -6.486 -6.821 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.575 -5.607 -6.100 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -2.908 -3.305 -4.893 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -4.190 -4.173 -4.016 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -2.556 -4.055 -3.319 1.00 1.00 H new ATOM 1012 N LYS A 63 -0.903 -7.155 -2.993 1.00 1.00 N ATOM 1013 CA LYS A 63 0.086 -7.218 -1.912 1.00 1.00 C ATOM 1014 C LYS A 63 0.945 -5.951 -1.900 1.00 1.00 C ATOM 1015 O LYS A 63 1.227 -5.323 -2.920 1.00 1.00 O ATOM 1016 CB LYS A 63 0.977 -8.471 -2.092 1.00 1.00 C ATOM 1017 CG LYS A 63 0.119 -9.763 -2.223 1.00 1.00 C ATOM 1018 CD LYS A 63 -0.717 -10.040 -0.945 1.00 1.00 C ATOM 1019 CE LYS A 63 -1.449 -11.388 -1.084 1.00 1.00 C ATOM 1020 NZ LYS A 63 -2.355 -11.329 -2.269 1.00 1.00 N ATOM 0 H LYS A 63 -0.566 -7.515 -3.886 1.00 1.00 H new ATOM 0 HA LYS A 63 -0.436 -7.287 -0.958 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.598 -8.353 -2.980 1.00 1.00 H new ATOM 0 HB3 LYS A 63 1.652 -8.565 -1.241 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -0.549 -9.669 -3.079 1.00 1.00 H new ATOM 0 HG3 LYS A 63 0.772 -10.613 -2.420 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -0.067 -10.057 -0.070 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -1.439 -9.238 -0.790 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -0.728 -12.197 -1.201 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -2.023 -11.600 -0.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -3.063 -12.088 -2.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -2.836 -10.407 -2.293 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -1.798 -11.451 -3.139 1.00 1.00 H new ATOM 1034 N ILE A 64 1.369 -5.563 -0.701 1.00 1.00 N ATOM 1035 CA ILE A 64 2.202 -4.354 -0.515 1.00 1.00 C ATOM 1036 C ILE A 64 3.669 -4.765 -0.475 1.00 1.00 C ATOM 1037 O ILE A 64 4.085 -5.496 0.423 1.00 1.00 O ATOM 1038 CB ILE A 64 1.799 -3.644 0.820 1.00 1.00 C ATOM 1039 CG1 ILE A 64 0.240 -3.602 0.963 1.00 1.00 C ATOM 1040 CG2 ILE A 64 2.376 -2.203 0.855 1.00 1.00 C ATOM 1041 CD1 ILE A 64 -0.432 -2.976 -0.272 1.00 1.00 C ATOM 0 H ILE A 64 1.156 -6.061 0.163 1.00 1.00 H new ATOM 0 HA ILE A 64 2.046 -3.660 -1.341 1.00 1.00 H new ATOM 0 HB ILE A 64 2.213 -4.210 1.655 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.139 -4.614 1.109 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -0.028 -3.030 1.851 1.00 1.00 H new ATOM 0 HG21 ILE A 64 2.089 -1.719 1.788 1.00 1.00 H new ATOM 0 HG22 ILE A 64 3.463 -2.245 0.787 1.00 1.00 H new ATOM 0 HG23 ILE A 64 1.981 -1.633 0.014 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -1.513 -2.966 -0.132 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -0.074 -1.955 -0.403 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -0.186 -3.563 -1.157 1.00 1.00 H new ATOM 1053 N TYR A 65 4.472 -4.316 -1.433 1.00 1.00 N ATOM 1054 CA TYR A 65 5.892 -4.664 -1.484 1.00 1.00 C ATOM 1055 C TYR A 65 6.631 -4.011 -0.310 1.00 1.00 C ATOM 1056 O TYR A 65 7.108 -2.881 -0.417 1.00 1.00 O ATOM 1057 CB TYR A 65 6.494 -4.195 -2.832 1.00 1.00 C ATOM 1058 CG TYR A 65 7.877 -4.836 -3.047 1.00 1.00 C ATOM 1059 CD1 TYR A 65 9.037 -4.220 -2.543 1.00 1.00 C ATOM 1060 CD2 TYR A 65 7.993 -6.058 -3.746 1.00 1.00 C ATOM 1061 CE1 TYR A 65 10.293 -4.815 -2.737 1.00 1.00 C ATOM 1062 CE2 TYR A 65 9.250 -6.646 -3.935 1.00 1.00 C ATOM 1063 CZ TYR A 65 10.396 -6.024 -3.433 1.00 1.00 C ATOM 1064 OH TYR A 65 11.633 -6.605 -3.619 1.00 1.00 O ATOM 0 H TYR A 65 4.164 -3.706 -2.190 1.00 1.00 H new ATOM 0 HA TYR A 65 6.004 -5.745 -1.406 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.828 -4.467 -3.651 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.583 -3.109 -2.841 1.00 1.00 H new ATOM 0 HD1 TYR A 65 8.961 -3.287 -2.005 1.00 1.00 H new ATOM 0 HD2 TYR A 65 7.109 -6.541 -4.136 1.00 1.00 H new ATOM 0 HE1 TYR A 65 11.181 -4.339 -2.348 1.00 1.00 H new ATOM 0 HE2 TYR A 65 9.334 -7.581 -4.469 1.00 1.00 H new ATOM 0 HH TYR A 65 11.530 -7.441 -4.120 1.00 1.00 H new ATOM 1074 N TRP A 66 6.731 -4.731 0.802 1.00 1.00 N ATOM 1075 CA TRP A 66 7.398 -4.227 2.006 1.00 1.00 C ATOM 1076 C TRP A 66 8.922 -4.203 1.825 1.00 1.00 C ATOM 1077 O TRP A 66 9.486 -5.034 1.113 1.00 1.00 O ATOM 1078 CB TRP A 66 6.972 -5.101 3.223 1.00 1.00 C ATOM 1079 CG TRP A 66 7.677 -6.440 3.216 1.00 1.00 C ATOM 1080 CD1 TRP A 66 8.796 -6.722 3.920 1.00 1.00 C ATOM 1081 CD2 TRP A 66 7.338 -7.658 2.490 1.00 1.00 C ATOM 1082 NE1 TRP A 66 9.168 -8.024 3.678 1.00 1.00 N ATOM 1083 CE2 TRP A 66 8.304 -8.647 2.798 1.00 1.00 C ATOM 1084 CE3 TRP A 66 6.302 -7.997 1.602 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 8.242 -9.927 2.243 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 6.234 -9.286 1.044 1.00 1.00 C ATOM 1087 CH2 TRP A 66 7.205 -10.246 1.362 1.00 1.00 C ATOM 0 H TRP A 66 6.356 -5.675 0.898 1.00 1.00 H new ATOM 0 HA TRP A 66 7.092 -3.197 2.189 1.00 1.00 H new ATOM 0 HB2 TRP A 66 7.200 -4.573 4.149 1.00 1.00 H new ATOM 0 HB3 TRP A 66 5.893 -5.256 3.201 1.00 1.00 H new ATOM 0 HD1 TRP A 66 9.316 -6.034 4.570 1.00 1.00 H new ATOM 0 HE1 TRP A 66 9.982 -8.474 4.097 1.00 1.00 H new ATOM 0 HE3 TRP A 66 5.553 -7.262 1.347 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 8.990 -10.665 2.493 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 5.430 -9.537 0.368 1.00 1.00 H new ATOM 0 HH2 TRP A 66 7.152 -11.233 0.926 1.00 1.00 H new ATOM 1098 N GLN A 67 9.582 -3.252 2.477 1.00 1.00 N ATOM 1099 CA GLN A 67 11.059 -3.131 2.381 1.00 1.00 C ATOM 1100 C GLN A 67 11.635 -2.582 3.692 1.00 1.00 C ATOM 1101 O GLN A 67 11.421 -1.431 4.069 1.00 1.00 O ATOM 1102 CB GLN A 67 11.436 -2.207 1.200 1.00 1.00 C ATOM 1103 CG GLN A 67 12.966 -2.214 0.916 1.00 1.00 C ATOM 1104 CD GLN A 67 13.421 -3.585 0.416 1.00 1.00 C ATOM 1105 OE1 GLN A 67 12.740 -4.204 -0.401 1.00 1.00 O ATOM 1106 NE2 GLN A 67 14.529 -4.100 0.870 1.00 1.00 N ATOM 0 H GLN A 67 9.138 -2.555 3.074 1.00 1.00 H new ATOM 0 HA GLN A 67 11.483 -4.119 2.205 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.900 -2.526 0.306 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.113 -1.189 1.419 1.00 1.00 H new ATOM 0 HG2 GLN A 67 13.206 -1.453 0.173 1.00 1.00 H new ATOM 0 HG3 GLN A 67 13.510 -1.955 1.824 1.00 1.00 H new ATOM 0 HE21 GLN A 67 15.091 -3.584 1.547 1.00 1.00 H new ATOM 0 HE22 GLN A 67 14.834 -5.019 0.548 1.00 1.00 H new ATOM 1115 N LEU A 68 12.388 -3.430 4.385 1.00 1.00 N ATOM 1116 CA LEU A 68 13.009 -3.043 5.671 1.00 1.00 C ATOM 1117 C LEU A 68 14.390 -3.763 5.848 1.00 1.00 C ATOM 1118 O LEU A 68 14.459 -4.977 5.664 1.00 1.00 O ATOM 1119 CB LEU A 68 12.033 -3.347 6.871 1.00 1.00 C ATOM 1120 CG LEU A 68 10.990 -4.451 6.512 1.00 1.00 C ATOM 1121 CD1 LEU A 68 11.700 -5.800 6.216 1.00 1.00 C ATOM 1122 CD2 LEU A 68 9.982 -4.610 7.668 1.00 1.00 C ATOM 0 H LEU A 68 12.589 -4.386 4.090 1.00 1.00 H new ATOM 0 HA LEU A 68 13.194 -1.969 5.665 1.00 1.00 H new ATOM 0 HB2 LEU A 68 12.612 -3.664 7.738 1.00 1.00 H new ATOM 0 HB3 LEU A 68 11.511 -2.433 7.154 1.00 1.00 H new ATOM 0 HG LEU A 68 10.452 -4.150 5.613 1.00 1.00 H new ATOM 0 HD11 LEU A 68 10.955 -6.556 5.968 1.00 1.00 H new ATOM 0 HD12 LEU A 68 12.384 -5.675 5.376 1.00 1.00 H new ATOM 0 HD13 LEU A 68 12.260 -6.117 7.096 1.00 1.00 H new ATOM 0 HD21 LEU A 68 9.255 -5.382 7.414 1.00 1.00 H new ATOM 0 HD22 LEU A 68 10.512 -4.896 8.576 1.00 1.00 H new ATOM 0 HD23 LEU A 68 9.465 -3.665 7.832 1.00 1.00 H new ATOM 1134 N PRO A 69 15.441 -3.073 6.202 1.00 1.00 N ATOM 1135 CA PRO A 69 16.793 -3.730 6.386 1.00 1.00 C ATOM 1136 C PRO A 69 16.965 -4.352 7.781 1.00 1.00 C ATOM 1137 O PRO A 69 17.618 -3.782 8.655 1.00 1.00 O ATOM 1138 CB PRO A 69 17.771 -2.554 6.158 1.00 1.00 C ATOM 1139 CG PRO A 69 17.055 -1.365 6.754 1.00 1.00 C ATOM 1140 CD PRO A 69 15.547 -1.603 6.480 1.00 1.00 C ATOM 0 HA PRO A 69 16.951 -4.569 5.708 1.00 1.00 H new ATOM 0 HB2 PRO A 69 18.729 -2.730 6.648 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.977 -2.406 5.098 1.00 1.00 H new ATOM 0 HG2 PRO A 69 17.251 -1.286 7.823 1.00 1.00 H new ATOM 0 HG3 PRO A 69 17.394 -0.435 6.298 1.00 1.00 H new ATOM 0 HD2 PRO A 69 14.938 -1.317 7.338 1.00 1.00 H new ATOM 0 HD3 PRO A 69 15.200 -1.013 5.632 1.00 1.00 H new ATOM 1148 N ALA A 70 16.386 -5.532 7.976 1.00 1.00 N ATOM 1149 CA ALA A 70 16.479 -6.240 9.263 1.00 1.00 C ATOM 1150 C ALA A 70 16.282 -7.743 9.074 1.00 1.00 C ATOM 1151 O ALA A 70 16.232 -8.262 7.958 1.00 1.00 O ATOM 1152 CB ALA A 70 15.406 -5.686 10.212 1.00 1.00 C ATOM 0 H ALA A 70 15.846 -6.024 7.264 1.00 1.00 H new ATOM 0 HA ALA A 70 17.471 -6.082 9.686 1.00 1.00 H new ATOM 0 HB1 ALA A 70 15.465 -6.203 11.170 1.00 1.00 H new ATOM 0 HB2 ALA A 70 15.571 -4.619 10.365 1.00 1.00 H new ATOM 0 HB3 ALA A 70 14.419 -5.842 9.776 1.00 1.00 H new ATOM 1158 N GLY A 71 16.162 -8.453 10.190 1.00 1.00 N ATOM 1159 CA GLY A 71 15.966 -9.920 10.212 1.00 1.00 C ATOM 1160 C GLY A 71 14.629 -10.269 10.849 1.00 1.00 C ATOM 1161 O GLY A 71 14.548 -11.153 11.701 1.00 1.00 O ATOM 0 H GLY A 71 16.197 -8.034 11.119 1.00 1.00 H new ATOM 0 HA2 GLY A 71 16.005 -10.313 9.196 1.00 1.00 H new ATOM 0 HA3 GLY A 71 16.775 -10.393 10.769 1.00 1.00 H new ATOM 1165 N ILE A 72 13.579 -9.566 10.437 1.00 1.00 N ATOM 1166 CA ILE A 72 12.230 -9.790 10.968 1.00 1.00 C ATOM 1167 C ILE A 72 11.542 -10.934 10.228 1.00 1.00 C ATOM 1168 O ILE A 72 11.918 -11.305 9.117 1.00 1.00 O ATOM 1169 CB ILE A 72 11.379 -8.500 10.816 1.00 1.00 C ATOM 1170 CG1 ILE A 72 11.239 -8.072 9.288 1.00 1.00 C ATOM 1171 CG2 ILE A 72 12.007 -7.358 11.637 1.00 1.00 C ATOM 1172 CD1 ILE A 72 9.818 -8.364 8.769 1.00 1.00 C ATOM 0 H ILE A 72 13.633 -8.830 9.732 1.00 1.00 H new ATOM 0 HA ILE A 72 12.318 -10.051 12.023 1.00 1.00 H new ATOM 0 HB ILE A 72 10.378 -8.707 11.195 1.00 1.00 H new ATOM 0 HG12 ILE A 72 11.460 -7.010 9.181 1.00 1.00 H new ATOM 0 HG13 ILE A 72 11.970 -8.612 8.686 1.00 1.00 H new ATOM 0 HG21 ILE A 72 11.405 -6.456 11.526 1.00 1.00 H new ATOM 0 HG22 ILE A 72 12.043 -7.643 12.688 1.00 1.00 H new ATOM 0 HG23 ILE A 72 13.018 -7.166 11.279 1.00 1.00 H new ATOM 0 HD11 ILE A 72 9.744 -8.064 7.724 1.00 1.00 H new ATOM 0 HD12 ILE A 72 9.611 -9.431 8.856 1.00 1.00 H new ATOM 0 HD13 ILE A 72 9.093 -7.804 9.359 1.00 1.00 H new ATOM 1184 N GLU A 73 10.517 -11.492 10.861 1.00 1.00 N ATOM 1185 CA GLU A 73 9.730 -12.611 10.283 1.00 1.00 C ATOM 1186 C GLU A 73 8.361 -12.105 9.800 1.00 1.00 C ATOM 1187 O GLU A 73 7.559 -11.575 10.567 1.00 1.00 O ATOM 1188 CB GLU A 73 9.530 -13.709 11.352 1.00 1.00 C ATOM 1189 CG GLU A 73 10.901 -14.249 11.809 1.00 1.00 C ATOM 1190 CD GLU A 73 10.718 -15.365 12.840 1.00 1.00 C ATOM 1191 OE1 GLU A 73 10.183 -16.398 12.470 1.00 1.00 O ATOM 1192 OE2 GLU A 73 11.115 -15.174 13.979 1.00 1.00 O ATOM 0 H GLU A 73 10.198 -11.195 11.783 1.00 1.00 H new ATOM 0 HA GLU A 73 10.273 -13.024 9.433 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.986 -13.304 12.205 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.927 -14.520 10.945 1.00 1.00 H new ATOM 0 HG2 GLU A 73 11.455 -14.626 10.950 1.00 1.00 H new ATOM 0 HG3 GLU A 73 11.492 -13.441 12.240 1.00 1.00 H new ATOM 1199 N MET A 74 8.092 -12.281 8.511 1.00 1.00 N ATOM 1200 CA MET A 74 6.819 -11.839 7.929 1.00 1.00 C ATOM 1201 C MET A 74 5.683 -12.727 8.430 1.00 1.00 C ATOM 1202 O MET A 74 5.495 -13.850 7.961 1.00 1.00 O ATOM 1203 CB MET A 74 6.882 -11.890 6.383 1.00 1.00 C ATOM 1204 CG MET A 74 8.067 -11.026 5.853 1.00 1.00 C ATOM 1205 SD MET A 74 9.636 -11.920 6.056 1.00 1.00 S ATOM 1206 CE MET A 74 10.738 -10.620 5.447 1.00 1.00 C ATOM 0 H MET A 74 8.730 -12.723 7.849 1.00 1.00 H new ATOM 0 HA MET A 74 6.635 -10.810 8.237 1.00 1.00 H new ATOM 0 HB2 MET A 74 7.001 -12.922 6.052 1.00 1.00 H new ATOM 0 HB3 MET A 74 5.944 -11.527 5.963 1.00 1.00 H new ATOM 0 HG2 MET A 74 7.910 -10.787 4.801 1.00 1.00 H new ATOM 0 HG3 MET A 74 8.107 -10.080 6.393 1.00 1.00 H new ATOM 0 HE1 MET A 74 11.770 -10.879 5.682 1.00 1.00 H new ATOM 0 HE2 MET A 74 10.625 -10.524 4.367 1.00 1.00 H new ATOM 0 HE3 MET A 74 10.483 -9.674 5.924 1.00 1.00 H new ATOM 1216 N VAL A 75 4.908 -12.229 9.388 1.00 1.00 N ATOM 1217 CA VAL A 75 3.789 -13.007 9.941 1.00 1.00 C ATOM 1218 C VAL A 75 2.804 -13.337 8.840 1.00 1.00 C ATOM 1219 O VAL A 75 2.814 -14.450 8.314 1.00 1.00 O ATOM 1220 CB VAL A 75 3.074 -12.214 11.068 1.00 1.00 C ATOM 1221 CG1 VAL A 75 1.866 -13.008 11.651 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.084 -11.922 12.198 1.00 1.00 C ATOM 0 H VAL A 75 5.026 -11.302 9.798 1.00 1.00 H new ATOM 0 HA VAL A 75 4.183 -13.931 10.365 1.00 1.00 H new ATOM 0 HB VAL A 75 2.694 -11.285 10.643 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.390 -12.422 12.437 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.144 -13.206 10.859 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.218 -13.953 12.065 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.589 -11.365 12.994 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.466 -12.862 12.597 1.00 1.00 H new ATOM 0 HG23 VAL A 75 4.911 -11.333 11.803 1.00 1.00 H new ATOM 1232 N SER A 76 1.930 -12.396 8.496 1.00 1.00 N ATOM 1233 CA SER A 76 0.914 -12.617 7.471 1.00 1.00 C ATOM 1234 C SER A 76 0.118 -11.356 7.259 1.00 1.00 C ATOM 1235 O SER A 76 0.094 -10.488 8.133 1.00 1.00 O ATOM 1236 CB SER A 76 -0.068 -13.678 7.957 1.00 1.00 C ATOM 1237 OG SER A 76 -1.043 -13.908 6.947 1.00 1.00 O ATOM 0 H SER A 76 1.905 -11.466 8.915 1.00 1.00 H new ATOM 0 HA SER A 76 1.412 -12.923 6.551 1.00 1.00 H new ATOM 0 HB2 SER A 76 0.461 -14.603 8.186 1.00 1.00 H new ATOM 0 HB3 SER A 76 -0.551 -13.350 8.878 1.00 1.00 H new ATOM 0 HG SER A 76 -1.676 -14.591 7.253 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.546 -11.248 6.113 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.418 -10.100 5.832 1.00 1.00 C ATOM 1245 C ILE A 77 -0.623 -8.776 5.914 1.00 1.00 C ATOM 1246 O ILE A 77 0.537 -8.828 6.320 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.692 -10.175 6.839 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.469 -9.401 8.207 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -3.088 -11.642 7.147 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -3.783 -9.203 8.957 1.00 1.00 C ATOM 0 H ILE A 77 -0.501 -11.937 5.362 1.00 1.00 H new ATOM 0 HA ILE A 77 -1.801 -10.133 4.812 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.501 -9.676 6.306 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.772 -9.959 8.833 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.013 -8.431 8.008 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.943 -11.654 7.823 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.352 -12.150 6.219 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.248 -12.155 7.615 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.593 -8.670 9.889 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.470 -8.623 8.341 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.226 -10.174 9.178 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.201 -7.634 5.657 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.598 -7.414 5.150 1.00 1.00 C ATOM 1264 C PRO A 78 -2.628 -7.081 3.678 1.00 1.00 C ATOM 1265 O PRO A 78 -1.608 -6.906 3.011 1.00 1.00 O ATOM 1266 CB PRO A 78 -3.077 -6.247 6.025 1.00 1.00 C ATOM 1267 CG PRO A 78 -1.810 -5.431 6.292 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.593 -6.317 5.856 1.00 1.00 C ATOM 0 HA PRO A 78 -3.232 -8.298 5.222 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -3.834 -5.651 5.515 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.524 -6.603 6.953 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -1.828 -4.497 5.730 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -1.736 -5.167 7.347 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -0.129 -5.944 4.943 1.00 1.00 H new ATOM 0 HD3 PRO A 78 0.183 -6.342 6.621 1.00 1.00 H new ATOM 1276 N ASP A 79 -3.848 -6.986 3.162 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.106 -6.671 1.771 1.00 1.00 C ATOM 1278 C ASP A 79 -4.875 -5.387 1.716 1.00 1.00 C ATOM 1279 O ASP A 79 -5.469 -4.903 2.681 1.00 1.00 O ATOM 1280 CB ASP A 79 -4.909 -7.805 1.110 1.00 1.00 C ATOM 1281 CG ASP A 79 -4.999 -7.617 -0.406 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -5.746 -6.755 -0.835 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -4.324 -8.349 -1.114 1.00 1.00 O ATOM 0 H ASP A 79 -4.696 -7.129 3.711 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.166 -6.565 1.230 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -4.438 -8.763 1.332 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -5.913 -7.837 1.534 1.00 1.00 H new ATOM 1288 N VAL A 80 -4.857 -4.765 0.541 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.551 -3.481 0.334 1.00 1.00 C ATOM 1290 C VAL A 80 -6.421 -3.549 -0.918 1.00 1.00 C ATOM 1291 O VAL A 80 -5.973 -3.872 -2.018 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.500 -2.346 0.243 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -5.190 -0.965 0.077 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -3.655 -2.336 1.544 1.00 1.00 C ATOM 0 H VAL A 80 -4.374 -5.121 -0.284 1.00 1.00 H new ATOM 0 HA VAL A 80 -6.211 -3.272 1.176 1.00 1.00 H new ATOM 0 HB VAL A 80 -3.865 -2.525 -0.625 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -4.432 -0.184 0.015 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -5.787 -0.964 -0.835 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -5.837 -0.776 0.934 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -2.912 -1.540 1.489 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -4.307 -2.165 2.400 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -3.151 -3.296 1.658 1.00 1.00 H new ATOM 1304 N THR A 81 -7.694 -3.205 -0.744 1.00 1.00 N ATOM 1305 CA THR A 81 -8.686 -3.201 -1.827 1.00 1.00 C ATOM 1306 C THR A 81 -9.167 -1.767 -2.052 1.00 1.00 C ATOM 1307 O THR A 81 -9.538 -1.046 -1.126 1.00 1.00 O ATOM 1308 CB THR A 81 -9.886 -4.110 -1.441 1.00 1.00 C ATOM 1309 OG1 THR A 81 -9.391 -5.365 -1.006 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.808 -4.336 -2.662 1.00 1.00 C ATOM 0 H THR A 81 -8.074 -2.918 0.158 1.00 1.00 H new ATOM 0 HA THR A 81 -8.237 -3.584 -2.743 1.00 1.00 H new ATOM 0 HB THR A 81 -10.456 -3.626 -0.648 1.00 1.00 H new ATOM 0 HG1 THR A 81 -10.141 -5.945 -0.759 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.643 -4.975 -2.374 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.189 -3.377 -3.013 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.243 -4.816 -3.461 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.163 -1.354 -3.317 1.00 1.00 N ATOM 1319 CA TYR A 82 -9.592 -0.003 -3.690 1.00 1.00 C ATOM 1320 C TYR A 82 -10.304 -0.031 -5.020 1.00 1.00 C ATOM 1321 O TYR A 82 -10.459 -1.062 -5.676 1.00 1.00 O ATOM 1322 CB TYR A 82 -8.376 0.950 -3.733 1.00 1.00 C ATOM 1323 CG TYR A 82 -7.341 0.462 -4.761 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -7.449 0.854 -6.112 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -6.275 -0.375 -4.368 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -6.503 0.415 -7.051 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -5.337 -0.807 -5.315 1.00 1.00 C ATOM 1328 CZ TYR A 82 -5.450 -0.413 -6.651 1.00 1.00 C ATOM 1329 OH TYR A 82 -4.522 -0.845 -7.577 1.00 1.00 O ATOM 0 H TYR A 82 -8.868 -1.933 -4.103 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.289 0.368 -2.939 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -8.705 1.957 -3.990 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -7.917 1.007 -2.746 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -8.262 1.493 -6.424 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -6.182 -0.683 -3.337 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -6.589 0.717 -8.084 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -4.523 -1.448 -5.011 1.00 1.00 H new ATOM 0 HH TYR A 82 -3.856 -1.411 -7.133 1.00 1.00 H new ATOM 1339 N THR A 83 -10.770 1.134 -5.456 1.00 1.00 N ATOM 1340 CA THR A 83 -11.501 1.264 -6.740 1.00 1.00 C ATOM 1341 C THR A 83 -10.840 2.311 -7.637 1.00 1.00 C ATOM 1342 O THR A 83 -10.583 3.447 -7.238 1.00 1.00 O ATOM 1343 CB THR A 83 -12.971 1.659 -6.463 1.00 1.00 C ATOM 1344 OG1 THR A 83 -13.548 0.705 -5.582 1.00 1.00 O ATOM 1345 CG2 THR A 83 -13.802 1.696 -7.770 1.00 1.00 C ATOM 0 H THR A 83 -10.661 2.012 -4.948 1.00 1.00 H new ATOM 0 HA THR A 83 -11.473 0.304 -7.256 1.00 1.00 H new ATOM 0 HB THR A 83 -12.979 2.654 -6.019 1.00 1.00 H new ATOM 0 HG1 THR A 83 -14.479 0.949 -5.400 1.00 1.00 H new ATOM 0 HG21 THR A 83 -14.830 1.977 -7.540 1.00 1.00 H new ATOM 0 HG22 THR A 83 -13.371 2.426 -8.455 1.00 1.00 H new ATOM 0 HG23 THR A 83 -13.791 0.711 -8.236 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.579 1.920 -8.879 1.00 1.00 N ATOM 1354 CA LEU A 84 -9.952 2.821 -9.869 1.00 1.00 C ATOM 1355 C LEU A 84 -10.992 3.267 -10.901 1.00 1.00 C ATOM 1356 O LEU A 84 -11.804 2.471 -11.371 1.00 1.00 O ATOM 1357 CB LEU A 84 -8.777 2.086 -10.566 1.00 1.00 C ATOM 1358 CG LEU A 84 -7.978 3.030 -11.529 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.381 4.267 -10.774 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -6.834 2.232 -12.213 1.00 1.00 C ATOM 0 H LEU A 84 -10.788 0.987 -9.235 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.566 3.706 -9.363 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.102 1.685 -9.810 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.164 1.238 -11.130 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.674 3.404 -12.280 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -6.835 4.895 -11.479 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.189 4.844 -10.325 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -6.703 3.924 -9.993 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.280 2.891 -12.882 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.160 1.838 -11.452 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.258 1.407 -12.785 1.00 1.00 H new ATOM 1372 N LYS A 85 -10.970 4.546 -11.262 1.00 1.00 N ATOM 1373 CA LYS A 85 -11.906 5.105 -12.267 1.00 1.00 C ATOM 1374 C LYS A 85 -11.205 6.117 -13.173 1.00 1.00 C ATOM 1375 O LYS A 85 -10.103 6.592 -12.890 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.095 5.783 -11.566 1.00 1.00 C ATOM 1377 CG LYS A 85 -12.615 6.757 -10.447 1.00 1.00 C ATOM 1378 CD LYS A 85 -13.777 7.697 -10.024 1.00 1.00 C ATOM 1379 CE LYS A 85 -15.032 6.892 -9.579 1.00 1.00 C ATOM 1380 NZ LYS A 85 -15.925 7.782 -8.792 1.00 1.00 N ATOM 0 H LYS A 85 -10.316 5.228 -10.879 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.266 4.280 -12.882 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -13.687 6.332 -12.299 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.746 5.023 -11.134 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -12.264 6.189 -9.585 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -11.771 7.347 -10.805 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -13.447 8.339 -9.207 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -14.039 8.350 -10.857 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -15.560 6.505 -10.451 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -14.734 6.032 -8.979 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -16.767 7.251 -8.491 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -15.417 8.130 -7.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -16.217 8.589 -9.380 1.00 1.00 H new ATOM 1394 N ALA A 86 -11.859 6.461 -14.275 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.347 7.420 -15.256 1.00 1.00 C ATOM 1396 C ALA A 86 -11.275 8.827 -14.668 1.00 1.00 C ATOM 1397 O ALA A 86 -12.066 9.189 -13.796 1.00 1.00 O ATOM 1398 CB ALA A 86 -12.258 7.417 -16.500 1.00 1.00 C ATOM 0 H ALA A 86 -12.773 6.079 -14.519 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.337 7.121 -15.537 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -11.878 8.131 -17.231 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -12.271 6.419 -16.939 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -13.270 7.699 -16.210 1.00 1.00 H new ATOM 1404 N LYS A 87 -10.323 9.621 -15.147 1.00 1.00 N ATOM 1405 CA LYS A 87 -10.142 10.990 -14.675 1.00 1.00 C ATOM 1406 C LYS A 87 -11.349 11.853 -15.071 1.00 1.00 C ATOM 1407 O LYS A 87 -11.544 12.188 -16.240 1.00 1.00 O ATOM 1408 CB LYS A 87 -8.828 11.571 -15.259 1.00 1.00 C ATOM 1409 CG LYS A 87 -8.426 12.948 -14.579 1.00 1.00 C ATOM 1410 CD LYS A 87 -8.908 14.153 -15.425 1.00 1.00 C ATOM 1411 CE LYS A 87 -8.552 15.476 -14.729 1.00 1.00 C ATOM 1412 NZ LYS A 87 -9.000 16.610 -15.583 1.00 1.00 N ATOM 0 H LYS A 87 -9.660 9.337 -15.868 1.00 1.00 H new ATOM 0 HA LYS A 87 -10.071 10.992 -13.587 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -8.022 10.851 -15.121 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -8.944 11.718 -16.333 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -8.861 13.004 -13.581 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -7.344 12.995 -14.459 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -8.447 14.119 -16.412 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -9.986 14.092 -15.574 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -9.032 15.528 -13.752 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -7.477 15.535 -14.559 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -8.762 17.510 -15.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -8.522 16.560 -16.505 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -10.029 16.554 -15.723 1.00 1.00 H new