USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 620 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 Set 1.1: A 74 GLN : amide:sc= -0.457 K(o=-0.46,f=-6!) USER MOD Set 1.2: A 75 SER OG : rot 180:sc=0.000192 USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.911 K(o=2,f=-2.5) USER MOD Set 2.2: A 94 SER OG : rot -86:sc= 1.12 USER MOD Single : A 11 THR OG1 : rot -32:sc= 0.0559 USER MOD Single : A 12 SER OG : rot 18:sc= 0.0651 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0673 K(o=-0.067,f=-0.83) USER MOD Single : A 45 HIS : no HE2:sc= -0.709 X(o=-0.71,f=-0.98) USER MOD Single : A 46 LYS NZ :NH3+ 135:sc= 0.525 (180deg=0.108) USER MOD Single : A 54 SER OG : rot -117:sc= 1.36 USER MOD Single : A 59 CYS SG : rot 110:sc= -0.85 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.106) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.765) USER MOD Single : A 72 ASN : amide:sc= -0.525 K(o=-0.52,f=-6.6!) USER MOD Single : A 78 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.014) USER MOD Single : A 79 MET CE :methyl 158:sc= -0.209 (180deg=-1.45) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -9.544 -11.196 -8.605 1.00 0.00 N ATOM 114 CA THR A 11 -8.880 -10.050 -8.003 1.00 0.00 C ATOM 115 C THR A 11 -9.509 -8.781 -8.588 1.00 0.00 C ATOM 116 O THR A 11 -10.224 -8.845 -9.594 1.00 0.00 O ATOM 117 CB THR A 11 -7.351 -10.140 -8.200 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.960 -10.285 -9.555 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.754 -11.328 -7.438 1.00 0.00 C ATOM 0 HA THR A 11 -9.024 -10.029 -6.923 1.00 0.00 H new ATOM 0 HB THR A 11 -6.975 -9.191 -7.817 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.645 -10.790 -10.041 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.677 -11.360 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.958 -11.217 -6.373 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.202 -12.254 -7.798 1.00 0.00 H new ATOM 127 N SER A 12 -9.248 -7.634 -7.970 1.00 0.00 N ATOM 128 CA SER A 12 -9.631 -6.326 -8.462 1.00 0.00 C ATOM 129 C SER A 12 -8.503 -5.348 -8.158 1.00 0.00 C ATOM 130 O SER A 12 -7.795 -5.498 -7.165 1.00 0.00 O ATOM 131 CB SER A 12 -10.928 -5.893 -7.776 1.00 0.00 C ATOM 132 OG SER A 12 -12.037 -6.533 -8.374 1.00 0.00 O ATOM 0 H SER A 12 -8.747 -7.594 -7.083 1.00 0.00 H new ATOM 0 HA SER A 12 -9.802 -6.350 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.886 -6.139 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.042 -4.811 -7.848 1.00 0.00 H new ATOM 0 HG SER A 12 -11.729 -7.307 -8.891 1.00 0.00 H new ATOM 138 N ASP A 13 -8.381 -4.332 -9.005 1.00 0.00 N ATOM 139 CA ASP A 13 -7.400 -3.259 -8.972 1.00 0.00 C ATOM 140 C ASP A 13 -8.145 -2.029 -8.469 1.00 0.00 C ATOM 141 O ASP A 13 -8.853 -1.379 -9.250 1.00 0.00 O ATOM 142 CB ASP A 13 -6.867 -2.967 -10.392 1.00 0.00 C ATOM 143 CG ASP A 13 -5.644 -3.741 -10.868 1.00 0.00 C ATOM 144 OD1 ASP A 13 -5.290 -4.778 -10.253 1.00 0.00 O ATOM 145 OD2 ASP A 13 -5.058 -3.285 -11.879 1.00 0.00 O ATOM 0 H ASP A 13 -9.018 -4.232 -9.795 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.554 -3.526 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.676 -3.154 -11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.633 -1.904 -10.449 1.00 0.00 H new ATOM 150 N VAL A 14 -8.064 -1.709 -7.179 1.00 0.00 N ATOM 151 CA VAL A 14 -8.625 -0.468 -6.653 1.00 0.00 C ATOM 152 C VAL A 14 -7.520 0.580 -6.700 1.00 0.00 C ATOM 153 O VAL A 14 -6.678 0.619 -5.804 1.00 0.00 O ATOM 154 CB VAL A 14 -9.257 -0.656 -5.259 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.948 0.642 -4.825 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.319 -1.765 -5.298 1.00 0.00 C ATOM 0 H VAL A 14 -7.613 -2.295 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.460 -0.129 -7.265 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.465 -0.923 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.393 0.505 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.215 1.448 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.727 0.897 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.756 -1.886 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.100 -1.496 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.855 -2.702 -5.607 1.00 0.00 H new ATOM 166 N VAL A 15 -7.485 1.380 -7.771 1.00 0.00 N ATOM 167 CA VAL A 15 -6.614 2.543 -7.811 1.00 0.00 C ATOM 168 C VAL A 15 -7.220 3.629 -6.912 1.00 0.00 C ATOM 169 O VAL A 15 -8.440 3.840 -6.937 1.00 0.00 O ATOM 170 CB VAL A 15 -6.328 2.977 -9.263 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.541 3.557 -10.003 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.149 3.961 -9.306 1.00 0.00 C ATOM 0 H VAL A 15 -8.047 1.240 -8.611 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.627 2.312 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.070 2.063 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.250 3.836 -11.016 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.333 2.809 -10.046 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.903 4.439 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.960 4.258 -10.338 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.390 4.843 -8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.260 3.481 -8.898 1.00 0.00 H new ATOM 182 N ILE A 16 -6.398 4.317 -6.123 1.00 0.00 N ATOM 183 CA ILE A 16 -6.761 5.460 -5.287 1.00 0.00 C ATOM 184 C ILE A 16 -5.647 6.477 -5.511 1.00 0.00 C ATOM 185 O ILE A 16 -4.477 6.095 -5.490 1.00 0.00 O ATOM 186 CB ILE A 16 -6.896 5.052 -3.794 1.00 0.00 C ATOM 187 CG1 ILE A 16 -7.807 3.811 -3.651 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.440 6.220 -2.942 1.00 0.00 C ATOM 189 CD1 ILE A 16 -7.999 3.313 -2.221 1.00 0.00 C ATOM 0 H ILE A 16 -5.409 4.080 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.735 5.872 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.902 4.801 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.784 4.046 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.389 3.001 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.523 5.904 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.759 7.068 -3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.422 6.513 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.653 2.441 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.032 3.041 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.450 4.102 -1.618 1.00 0.00 H new ATOM 201 N HIS A 17 -5.993 7.749 -5.722 1.00 0.00 N ATOM 202 CA HIS A 17 -5.044 8.848 -5.902 1.00 0.00 C ATOM 203 C HIS A 17 -5.060 9.747 -4.661 1.00 0.00 C ATOM 204 O HIS A 17 -6.052 9.734 -3.928 1.00 0.00 O ATOM 205 CB HIS A 17 -5.423 9.655 -7.149 1.00 0.00 C ATOM 206 CG HIS A 17 -5.444 8.840 -8.418 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.344 8.387 -9.114 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.562 8.430 -9.094 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.790 7.706 -10.179 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.134 7.729 -10.228 1.00 0.00 N ATOM 0 H HIS A 17 -6.966 8.050 -5.774 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.039 8.447 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.407 10.100 -6.998 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.716 10.477 -7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.586 8.614 -8.805 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.157 7.208 -10.899 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.725 7.317 -10.950 1.00 0.00 H new ATOM 218 N ARG A 18 -4.023 10.564 -4.426 1.00 0.00 N ATOM 219 CA ARG A 18 -4.057 11.595 -3.383 1.00 0.00 C ATOM 220 C ARG A 18 -3.161 12.753 -3.783 1.00 0.00 C ATOM 221 O ARG A 18 -2.554 12.733 -4.848 1.00 0.00 O ATOM 222 CB ARG A 18 -3.645 11.030 -2.017 1.00 0.00 C ATOM 223 CG ARG A 18 -2.255 10.385 -2.044 1.00 0.00 C ATOM 224 CD ARG A 18 -1.863 9.845 -0.680 1.00 0.00 C ATOM 225 NE ARG A 18 -0.675 8.994 -0.791 1.00 0.00 N ATOM 226 CZ ARG A 18 0.609 9.339 -0.652 1.00 0.00 C ATOM 227 NH1 ARG A 18 0.957 10.559 -0.257 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.532 8.424 -0.925 1.00 0.00 N ATOM 0 H ARG A 18 -3.147 10.529 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.082 11.953 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.656 11.831 -1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.379 10.291 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.243 9.575 -2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.519 11.119 -2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.664 10.672 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.689 9.274 -0.256 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.851 8.012 -1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.238 11.253 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.943 10.801 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.252 7.492 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.521 8.653 -0.830 1.00 0.00 H new ATOM 242 N LYS A 19 -3.075 13.773 -2.936 1.00 0.00 N ATOM 243 CA LYS A 19 -2.074 14.816 -3.072 1.00 0.00 C ATOM 244 C LYS A 19 -0.826 14.371 -2.319 1.00 0.00 C ATOM 245 O LYS A 19 -0.904 13.499 -1.453 1.00 0.00 O ATOM 246 CB LYS A 19 -2.640 16.136 -2.538 1.00 0.00 C ATOM 247 CG LYS A 19 -3.588 16.807 -3.548 1.00 0.00 C ATOM 248 CD LYS A 19 -5.052 16.331 -3.571 1.00 0.00 C ATOM 249 CE LYS A 19 -5.324 15.028 -4.347 1.00 0.00 C ATOM 250 NZ LYS A 19 -6.595 15.092 -5.096 1.00 0.00 N ATOM 0 H LYS A 19 -3.698 13.897 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.807 14.982 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.175 15.951 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.819 16.814 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.586 17.879 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.172 16.665 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.386 16.195 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.664 17.123 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.503 14.839 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.354 14.190 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.743 14.197 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.381 15.248 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.557 15.876 -5.778 1.00 0.00 H new ATOM 264 N GLU A 20 0.320 14.994 -2.599 1.00 0.00 N ATOM 265 CA GLU A 20 1.551 14.732 -1.868 1.00 0.00 C ATOM 266 C GLU A 20 1.355 15.060 -0.391 1.00 0.00 C ATOM 267 O GLU A 20 1.793 14.310 0.483 1.00 0.00 O ATOM 268 CB GLU A 20 2.700 15.575 -2.450 1.00 0.00 C ATOM 269 CG GLU A 20 3.953 14.740 -2.683 1.00 0.00 C ATOM 270 CD GLU A 20 5.232 15.572 -2.564 1.00 0.00 C ATOM 271 OE1 GLU A 20 5.571 16.302 -3.521 1.00 0.00 O ATOM 272 OE2 GLU A 20 5.892 15.493 -1.503 1.00 0.00 O ATOM 0 H GLU A 20 0.416 15.691 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 20 1.806 13.677 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.381 16.023 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.931 16.394 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.984 13.924 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.907 14.287 -3.673 1.00 0.00 H new ATOM 279 N ASN A 21 0.687 16.185 -0.131 1.00 0.00 N ATOM 280 CA ASN A 21 0.612 16.806 1.181 1.00 0.00 C ATOM 281 C ASN A 21 -0.262 16.023 2.174 1.00 0.00 C ATOM 282 O ASN A 21 -0.349 16.447 3.323 1.00 0.00 O ATOM 283 CB ASN A 21 0.152 18.278 1.046 1.00 0.00 C ATOM 284 CG ASN A 21 1.107 19.295 1.664 1.00 0.00 C ATOM 285 OD1 ASN A 21 1.897 18.985 2.550 1.00 0.00 O ATOM 286 ND2 ASN A 21 1.079 20.530 1.189 1.00 0.00 N ATOM 0 H ASN A 21 0.173 16.697 -0.848 1.00 0.00 H new ATOM 0 HA ASN A 21 1.616 16.788 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.026 18.511 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.826 18.385 1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.718 21.234 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.419 20.778 0.452 1.00 0.00 H new ATOM 293 N GLU A 22 -0.898 14.899 1.807 1.00 0.00 N ATOM 294 CA GLU A 22 -1.575 13.992 2.745 1.00 0.00 C ATOM 295 C GLU A 22 -1.269 12.522 2.400 1.00 0.00 C ATOM 296 O GLU A 22 -0.575 12.243 1.419 1.00 0.00 O ATOM 297 CB GLU A 22 -3.095 14.269 2.798 1.00 0.00 C ATOM 298 CG GLU A 22 -3.836 14.030 1.468 1.00 0.00 C ATOM 299 CD GLU A 22 -5.329 13.727 1.659 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.050 14.455 2.383 1.00 0.00 O ATOM 301 OE2 GLU A 22 -5.804 12.741 1.052 1.00 0.00 O ATOM 0 H GLU A 22 -0.957 14.591 0.836 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.184 14.183 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.540 13.636 3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.252 15.303 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.728 14.911 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.367 13.199 0.941 1.00 0.00 H new ATOM 308 N GLY A 23 -1.808 11.583 3.188 1.00 0.00 N ATOM 309 CA GLY A 23 -1.801 10.143 2.937 1.00 0.00 C ATOM 310 C GLY A 23 -3.220 9.653 2.633 1.00 0.00 C ATOM 311 O GLY A 23 -4.186 10.368 2.895 1.00 0.00 O ATOM 0 H GLY A 23 -2.283 11.822 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.142 9.916 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.405 9.617 3.806 1.00 0.00 H new ATOM 315 N PHE A 24 -3.368 8.443 2.086 1.00 0.00 N ATOM 316 CA PHE A 24 -4.646 7.828 1.777 1.00 0.00 C ATOM 317 C PHE A 24 -5.367 7.538 3.083 1.00 0.00 C ATOM 318 O PHE A 24 -4.759 7.196 4.098 1.00 0.00 O ATOM 319 CB PHE A 24 -4.441 6.501 1.051 1.00 0.00 C ATOM 320 CG PHE A 24 -3.554 6.557 -0.168 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.052 7.047 -1.386 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.233 6.086 -0.086 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.229 7.038 -2.520 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.421 6.055 -1.230 1.00 0.00 C ATOM 325 CZ PHE A 24 -1.919 6.534 -2.451 1.00 0.00 C ATOM 0 H PHE A 24 -2.573 7.853 1.842 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.220 8.504 1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.017 5.784 1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.416 6.116 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.061 7.428 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.841 5.746 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.605 7.422 -3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.416 5.664 -1.171 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.298 6.515 -3.334 1.00 0.00 H new ATOM 335 N GLY A 25 -6.680 7.596 3.019 1.00 0.00 N ATOM 336 CA GLY A 25 -7.565 7.460 4.157 1.00 0.00 C ATOM 337 C GLY A 25 -7.987 6.026 4.435 1.00 0.00 C ATOM 338 O GLY A 25 -9.176 5.802 4.606 1.00 0.00 O ATOM 0 H GLY A 25 -7.179 7.744 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.070 7.862 5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.456 8.065 3.988 1.00 0.00 H new ATOM 342 N PHE A 26 -7.081 5.048 4.497 1.00 0.00 N ATOM 343 CA PHE A 26 -7.458 3.686 4.873 1.00 0.00 C ATOM 344 C PHE A 26 -6.466 3.071 5.857 1.00 0.00 C ATOM 345 O PHE A 26 -5.298 3.469 5.926 1.00 0.00 O ATOM 346 CB PHE A 26 -7.679 2.823 3.624 1.00 0.00 C ATOM 347 CG PHE A 26 -6.437 2.483 2.821 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.937 3.394 1.872 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.796 1.242 2.994 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.784 3.084 1.130 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.641 0.937 2.255 1.00 0.00 C ATOM 352 CZ PHE A 26 -4.123 1.864 1.337 1.00 0.00 C ATOM 0 H PHE A 26 -6.089 5.173 4.293 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.409 3.728 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.156 1.892 3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.380 3.340 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.441 4.336 1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.193 0.523 3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.407 3.785 0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.150 -0.015 2.394 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.218 1.639 0.792 1.00 0.00 H new ATOM 362 N VAL A 27 -6.931 2.085 6.624 1.00 0.00 N ATOM 363 CA VAL A 27 -6.180 1.439 7.690 1.00 0.00 C ATOM 364 C VAL A 27 -6.260 -0.064 7.434 1.00 0.00 C ATOM 365 O VAL A 27 -7.322 -0.669 7.609 1.00 0.00 O ATOM 366 CB VAL A 27 -6.736 1.841 9.078 1.00 0.00 C ATOM 367 CG1 VAL A 27 -5.765 1.380 10.172 1.00 0.00 C ATOM 368 CG2 VAL A 27 -6.969 3.353 9.242 1.00 0.00 C ATOM 0 H VAL A 27 -7.871 1.705 6.514 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.137 1.755 7.694 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.707 1.353 9.166 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.157 1.663 11.149 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.653 0.297 10.126 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.794 1.852 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.359 3.555 10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.026 3.883 9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.687 3.693 8.496 1.00 0.00 H new ATOM 378 N ILE A 28 -5.164 -0.670 6.973 1.00 0.00 N ATOM 379 CA ILE A 28 -5.026 -2.120 6.928 1.00 0.00 C ATOM 380 C ILE A 28 -4.809 -2.603 8.365 1.00 0.00 C ATOM 381 O ILE A 28 -4.073 -1.946 9.106 1.00 0.00 O ATOM 382 CB ILE A 28 -3.846 -2.547 6.022 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.908 -1.868 4.633 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.837 -4.079 5.885 1.00 0.00 C ATOM 385 CD1 ILE A 28 -2.802 -2.312 3.666 1.00 0.00 C ATOM 0 H ILE A 28 -4.350 -0.166 6.621 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.924 -2.568 6.502 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.918 -2.219 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.877 -2.079 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.847 -0.788 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.007 -4.382 5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.722 -4.532 6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.776 -4.410 5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.918 -1.789 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.828 -2.076 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.874 -3.387 3.500 1.00 0.00 H new ATOM 397 N ILE A 29 -5.392 -3.746 8.739 1.00 0.00 N ATOM 398 CA ILE A 29 -5.203 -4.406 10.022 1.00 0.00 C ATOM 399 C ILE A 29 -4.794 -5.875 9.826 1.00 0.00 C ATOM 400 O ILE A 29 -4.909 -6.410 8.721 1.00 0.00 O ATOM 401 CB ILE A 29 -6.492 -4.268 10.859 1.00 0.00 C ATOM 402 CG1 ILE A 29 -7.715 -5.015 10.280 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.845 -2.788 11.068 1.00 0.00 C ATOM 404 CD1 ILE A 29 -8.880 -5.117 11.280 1.00 0.00 C ATOM 0 H ILE A 29 -6.033 -4.252 8.128 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.389 -3.926 10.565 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.265 -4.745 11.812 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.057 -4.501 9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.413 -6.018 9.978 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.757 -2.712 11.660 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.029 -2.290 11.592 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.000 -2.311 10.100 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.710 -5.651 10.818 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.551 -5.656 12.168 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.205 -4.116 11.563 1.00 0.00 H new ATOM 616 N PRO A 44 -5.607 -12.005 7.240 1.00 0.00 N ATOM 617 CA PRO A 44 -4.661 -10.966 7.608 1.00 0.00 C ATOM 618 C PRO A 44 -5.122 -9.622 7.009 1.00 0.00 C ATOM 619 O PRO A 44 -6.115 -9.053 7.471 1.00 0.00 O ATOM 620 CB PRO A 44 -3.303 -11.468 7.095 1.00 0.00 C ATOM 621 CG PRO A 44 -3.705 -12.219 5.822 1.00 0.00 C ATOM 622 CD PRO A 44 -5.064 -12.831 6.169 1.00 0.00 C ATOM 0 HA PRO A 44 -4.588 -10.779 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.617 -10.647 6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.810 -12.120 7.816 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.776 -11.547 4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.975 -12.987 5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.725 -12.833 5.302 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.956 -13.867 6.490 1.00 0.00 H new ATOM 630 N HIS A 45 -4.417 -9.115 5.994 1.00 0.00 N ATOM 631 CA HIS A 45 -4.562 -7.760 5.500 1.00 0.00 C ATOM 632 C HIS A 45 -5.915 -7.566 4.831 1.00 0.00 C ATOM 633 O HIS A 45 -6.282 -8.232 3.860 1.00 0.00 O ATOM 634 CB HIS A 45 -3.382 -7.377 4.601 1.00 0.00 C ATOM 635 CG HIS A 45 -2.122 -7.127 5.403 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.855 -7.560 6.687 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.111 -6.280 5.045 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.692 -7.013 7.066 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.207 -6.209 6.109 1.00 0.00 N ATOM 0 H HIS A 45 -3.716 -9.655 5.487 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.539 -7.073 6.346 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.201 -8.174 3.879 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.634 -6.482 4.032 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.438 -8.183 7.246 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.025 -5.757 4.104 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.210 -7.195 8.015 1.00 0.00 H new ATOM 647 N LYS A 46 -6.658 -6.631 5.405 1.00 0.00 N ATOM 648 CA LYS A 46 -7.978 -6.161 5.020 1.00 0.00 C ATOM 649 C LYS A 46 -8.074 -4.729 5.498 1.00 0.00 C ATOM 650 O LYS A 46 -7.387 -4.354 6.455 1.00 0.00 O ATOM 651 CB LYS A 46 -9.076 -6.998 5.698 1.00 0.00 C ATOM 652 CG LYS A 46 -8.999 -6.919 7.234 1.00 0.00 C ATOM 653 CD LYS A 46 -9.958 -7.855 7.974 1.00 0.00 C ATOM 654 CE LYS A 46 -9.403 -8.083 9.388 1.00 0.00 C ATOM 655 NZ LYS A 46 -8.181 -8.922 9.399 1.00 0.00 N ATOM 0 H LYS A 46 -6.318 -6.137 6.230 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.116 -6.244 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.054 -6.649 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.985 -8.038 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.979 -7.147 7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.205 -5.894 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.955 -7.418 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.050 -8.803 7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.180 -7.119 9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.169 -8.557 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.473 -8.496 10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.418 -9.876 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.794 -8.984 8.436 1.00 0.00 H new ATOM 669 N ILE A 47 -8.994 -3.972 4.925 1.00 0.00 N ATOM 670 CA ILE A 47 -9.406 -2.705 5.501 1.00 0.00 C ATOM 671 C ILE A 47 -10.072 -2.983 6.855 1.00 0.00 C ATOM 672 O ILE A 47 -11.013 -3.782 6.938 1.00 0.00 O ATOM 673 CB ILE A 47 -10.346 -1.989 4.519 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.753 -1.821 3.109 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.793 -0.629 5.077 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.373 -1.167 3.054 1.00 0.00 C ATOM 0 H ILE A 47 -9.471 -4.215 4.057 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.554 -2.047 5.673 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.215 -2.639 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.690 -2.803 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.443 -1.226 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.457 -0.143 4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.320 -0.778 6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.919 0.000 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.045 -1.095 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.426 -0.168 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.662 -1.770 3.618 1.00 0.00 H new ATOM 688 N GLY A 48 -9.588 -2.309 7.899 1.00 0.00 N ATOM 689 CA GLY A 48 -10.128 -2.334 9.252 1.00 0.00 C ATOM 690 C GLY A 48 -10.812 -1.034 9.665 1.00 0.00 C ATOM 691 O GLY A 48 -11.621 -1.066 10.594 1.00 0.00 O ATOM 0 H GLY A 48 -8.771 -1.704 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.844 -3.152 9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.320 -2.547 9.952 1.00 0.00 H new ATOM 695 N ARG A 49 -10.502 0.091 9.005 1.00 0.00 N ATOM 696 CA ARG A 49 -11.228 1.365 9.065 1.00 0.00 C ATOM 697 C ARG A 49 -10.823 2.200 7.847 1.00 0.00 C ATOM 698 O ARG A 49 -9.771 1.933 7.253 1.00 0.00 O ATOM 699 CB ARG A 49 -10.914 2.098 10.390 1.00 0.00 C ATOM 700 CG ARG A 49 -11.754 3.361 10.645 1.00 0.00 C ATOM 701 CD ARG A 49 -11.446 3.983 12.010 1.00 0.00 C ATOM 702 NE ARG A 49 -12.237 5.209 12.219 1.00 0.00 N ATOM 703 CZ ARG A 49 -11.881 6.301 12.905 1.00 0.00 C ATOM 704 NH1 ARG A 49 -10.646 6.405 13.381 1.00 0.00 N ATOM 705 NH2 ARG A 49 -12.755 7.274 13.119 1.00 0.00 N ATOM 0 H ARG A 49 -9.695 0.138 8.383 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.305 1.196 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.066 1.405 11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.859 2.373 10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.559 4.092 9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.813 3.110 10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.666 3.264 12.800 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.383 4.215 12.077 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.163 5.227 11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.974 5.654 13.223 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.370 7.236 13.905 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.706 7.193 12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.476 8.104 13.643 1.00 0.00 H new ATOM 719 N ILE A 50 -11.611 3.217 7.511 1.00 0.00 N ATOM 720 CA ILE A 50 -11.320 4.247 6.522 1.00 0.00 C ATOM 721 C ILE A 50 -11.532 5.618 7.184 1.00 0.00 C ATOM 722 O ILE A 50 -12.313 5.746 8.128 1.00 0.00 O ATOM 723 CB ILE A 50 -12.177 3.970 5.265 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.410 2.993 4.348 1.00 0.00 C ATOM 725 CG2 ILE A 50 -12.571 5.223 4.478 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.276 2.372 3.247 1.00 0.00 C ATOM 0 H ILE A 50 -12.523 3.351 7.948 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.286 4.240 6.178 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.115 3.539 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.575 3.521 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.985 2.195 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.170 4.936 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.152 5.887 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.672 5.739 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.669 1.697 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.096 1.815 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.680 3.161 2.613 1.00 0.00 H new ATOM 738 N ILE A 51 -10.788 6.623 6.728 1.00 0.00 N ATOM 739 CA ILE A 51 -10.838 8.005 7.181 1.00 0.00 C ATOM 740 C ILE A 51 -11.948 8.698 6.396 1.00 0.00 C ATOM 741 O ILE A 51 -11.971 8.616 5.166 1.00 0.00 O ATOM 742 CB ILE A 51 -9.476 8.680 6.938 1.00 0.00 C ATOM 743 CG1 ILE A 51 -8.286 7.892 7.531 1.00 0.00 C ATOM 744 CG2 ILE A 51 -9.463 10.127 7.447 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.441 7.413 8.971 1.00 0.00 C ATOM 0 H ILE A 51 -10.096 6.484 5.991 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.046 8.067 8.249 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.344 8.686 5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.103 7.023 6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.397 8.520 7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.485 10.570 7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.229 10.702 6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.665 10.138 8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.543 6.874 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.587 8.272 9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.304 6.751 9.043 1.00 0.00 H new ATOM 757 N ASP A 52 -12.860 9.369 7.088 1.00 0.00 N ATOM 758 CA ASP A 52 -14.052 9.949 6.485 1.00 0.00 C ATOM 759 C ASP A 52 -13.707 11.018 5.441 1.00 0.00 C ATOM 760 O ASP A 52 -12.734 11.757 5.609 1.00 0.00 O ATOM 761 CB ASP A 52 -14.930 10.512 7.612 1.00 0.00 C ATOM 762 CG ASP A 52 -16.404 10.593 7.228 1.00 0.00 C ATOM 763 OD1 ASP A 52 -16.865 9.774 6.400 1.00 0.00 O ATOM 764 OD2 ASP A 52 -17.154 11.369 7.856 1.00 0.00 O ATOM 0 H ASP A 52 -12.792 9.527 8.093 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.599 9.177 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.824 9.885 8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.574 11.506 7.881 1.00 0.00 H new ATOM 769 N GLY A 53 -14.471 11.096 4.347 1.00 0.00 N ATOM 770 CA GLY A 53 -14.331 12.093 3.282 1.00 0.00 C ATOM 771 C GLY A 53 -13.104 11.925 2.379 1.00 0.00 C ATOM 772 O GLY A 53 -12.977 12.633 1.376 1.00 0.00 O ATOM 0 H GLY A 53 -15.233 10.441 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.225 12.063 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.293 13.083 3.737 1.00 0.00 H new ATOM 776 N SER A 54 -12.190 11.015 2.719 1.00 0.00 N ATOM 777 CA SER A 54 -10.927 10.854 2.014 1.00 0.00 C ATOM 778 C SER A 54 -11.123 10.327 0.587 1.00 0.00 C ATOM 779 O SER A 54 -12.187 9.782 0.262 1.00 0.00 O ATOM 780 CB SER A 54 -10.033 9.903 2.820 1.00 0.00 C ATOM 781 OG SER A 54 -10.630 8.624 2.953 1.00 0.00 O ATOM 0 H SER A 54 -12.310 10.367 3.497 1.00 0.00 H new ATOM 0 HA SER A 54 -10.454 11.832 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.065 9.806 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.847 10.325 3.808 1.00 0.00 H new ATOM 0 HG SER A 54 -10.809 8.443 3.899 1.00 0.00 H new ATOM 787 N PRO A 55 -10.050 10.328 -0.229 1.00 0.00 N ATOM 788 CA PRO A 55 -10.032 9.588 -1.479 1.00 0.00 C ATOM 789 C PRO A 55 -10.304 8.095 -1.280 1.00 0.00 C ATOM 790 O PRO A 55 -10.697 7.441 -2.239 1.00 0.00 O ATOM 791 CB PRO A 55 -8.652 9.818 -2.106 1.00 0.00 C ATOM 792 CG PRO A 55 -7.804 10.541 -1.056 1.00 0.00 C ATOM 793 CD PRO A 55 -8.816 11.075 -0.042 1.00 0.00 C ATOM 0 HA PRO A 55 -10.829 9.943 -2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.193 8.871 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.735 10.415 -3.014 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.092 9.862 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.226 11.350 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.443 10.952 0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.985 12.141 -0.193 1.00 0.00 H new ATOM 801 N ALA A 56 -10.097 7.532 -0.080 1.00 0.00 N ATOM 802 CA ALA A 56 -10.450 6.143 0.175 1.00 0.00 C ATOM 803 C ALA A 56 -11.959 5.998 0.384 1.00 0.00 C ATOM 804 O ALA A 56 -12.570 5.141 -0.247 1.00 0.00 O ATOM 805 CB ALA A 56 -9.680 5.607 1.379 1.00 0.00 C ATOM 0 H ALA A 56 -9.690 8.019 0.718 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.172 5.552 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.957 4.567 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.610 5.669 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.923 6.201 2.260 1.00 0.00 H new ATOM 811 N ASP A 57 -12.564 6.812 1.254 1.00 0.00 N ATOM 812 CA ASP A 57 -13.988 6.678 1.588 1.00 0.00 C ATOM 813 C ASP A 57 -14.856 6.932 0.363 1.00 0.00 C ATOM 814 O ASP A 57 -15.761 6.149 0.064 1.00 0.00 O ATOM 815 CB ASP A 57 -14.386 7.621 2.733 1.00 0.00 C ATOM 816 CG ASP A 57 -15.671 7.155 3.426 1.00 0.00 C ATOM 817 OD1 ASP A 57 -15.592 6.315 4.343 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.769 7.696 3.141 1.00 0.00 O ATOM 0 H ASP A 57 -12.090 7.573 1.741 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.153 5.654 1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.577 7.672 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.527 8.629 2.343 1.00 0.00 H new ATOM 823 N ARG A 58 -14.539 7.991 -0.390 1.00 0.00 N ATOM 824 CA ARG A 58 -15.251 8.355 -1.612 1.00 0.00 C ATOM 825 C ARG A 58 -14.983 7.373 -2.750 1.00 0.00 C ATOM 826 O ARG A 58 -15.701 7.413 -3.751 1.00 0.00 O ATOM 827 CB ARG A 58 -14.848 9.770 -2.051 1.00 0.00 C ATOM 828 CG ARG A 58 -15.197 10.849 -1.015 1.00 0.00 C ATOM 829 CD ARG A 58 -14.636 12.201 -1.461 1.00 0.00 C ATOM 830 NE ARG A 58 -15.454 12.854 -2.496 1.00 0.00 N ATOM 831 CZ ARG A 58 -15.023 13.792 -3.345 1.00 0.00 C ATOM 832 NH1 ARG A 58 -13.790 14.290 -3.254 1.00 0.00 N ATOM 833 NH2 ARG A 58 -15.835 14.259 -4.284 1.00 0.00 N ATOM 0 H ARG A 58 -13.772 8.624 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.317 8.321 -1.388 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.775 9.792 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.344 10.006 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.279 10.916 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.786 10.578 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.562 12.860 -0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.624 12.060 -1.842 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.430 12.567 -2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.157 13.956 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.479 15.005 -3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.788 13.902 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.507 14.975 -4.932 1.00 0.00 H new ATOM 847 N CYS A 59 -13.973 6.505 -2.636 1.00 0.00 N ATOM 848 CA CYS A 59 -13.667 5.531 -3.669 1.00 0.00 C ATOM 849 C CYS A 59 -14.849 4.571 -3.822 1.00 0.00 C ATOM 850 O CYS A 59 -15.291 4.344 -4.947 1.00 0.00 O ATOM 851 CB CYS A 59 -12.342 4.813 -3.352 1.00 0.00 C ATOM 852 SG CYS A 59 -11.801 3.782 -4.727 1.00 0.00 S ATOM 0 H CYS A 59 -13.353 6.464 -1.827 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.523 6.028 -4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.573 5.551 -3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.465 4.197 -2.461 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.747 4.309 -5.276 1.00 0.00 H new ATOM 858 N ALA A 60 -15.345 4.003 -2.712 1.00 0.00 N ATOM 859 CA ALA A 60 -16.376 2.958 -2.601 1.00 0.00 C ATOM 860 C ALA A 60 -16.082 1.646 -3.357 1.00 0.00 C ATOM 861 O ALA A 60 -16.608 0.589 -3.001 1.00 0.00 O ATOM 862 CB ALA A 60 -17.757 3.520 -2.962 1.00 0.00 C ATOM 0 H ALA A 60 -15.007 4.286 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.364 2.662 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.505 2.732 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.007 4.335 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.742 3.893 -3.986 1.00 0.00 H new ATOM 868 N LYS A 61 -15.209 1.670 -4.365 1.00 0.00 N ATOM 869 CA LYS A 61 -14.595 0.506 -4.995 1.00 0.00 C ATOM 870 C LYS A 61 -13.731 -0.253 -3.992 1.00 0.00 C ATOM 871 O LYS A 61 -13.528 -1.452 -4.183 1.00 0.00 O ATOM 872 CB LYS A 61 -13.700 0.964 -6.155 1.00 0.00 C ATOM 873 CG LYS A 61 -14.405 1.782 -7.246 1.00 0.00 C ATOM 874 CD LYS A 61 -15.320 0.945 -8.146 1.00 0.00 C ATOM 875 CE LYS A 61 -14.591 -0.228 -8.811 1.00 0.00 C ATOM 876 NZ LYS A 61 -13.340 0.188 -9.472 1.00 0.00 N ATOM 0 H LYS A 61 -14.897 2.547 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.389 -0.147 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.883 1.560 -5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.253 0.083 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.994 2.569 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.653 2.273 -7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -16.151 0.561 -7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.747 1.585 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.367 -0.986 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.250 -0.692 -9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.964 -0.603 -10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.530 0.996 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.642 0.464 -8.752 1.00 0.00 H new ATOM 890 N LEU A 62 -13.219 0.448 -2.977 1.00 0.00 N ATOM 891 CA LEU A 62 -12.701 -0.110 -1.738 1.00 0.00 C ATOM 892 C LEU A 62 -13.805 0.041 -0.695 1.00 0.00 C ATOM 893 O LEU A 62 -14.411 1.113 -0.614 1.00 0.00 O ATOM 894 CB LEU A 62 -11.476 0.703 -1.247 1.00 0.00 C ATOM 895 CG LEU A 62 -10.211 -0.105 -0.901 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.335 0.717 0.053 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.493 -1.453 -0.236 1.00 0.00 C ATOM 0 H LEU A 62 -13.154 1.466 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.403 -1.147 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.217 1.429 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.773 1.268 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.715 -0.309 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.438 0.151 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.052 1.653 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.893 0.932 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.551 -1.959 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.035 -1.293 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.094 -2.070 -0.904 1.00 0.00 H new ATOM 909 N LYS A 63 -14.032 -0.968 0.143 1.00 0.00 N ATOM 910 CA LYS A 63 -14.811 -0.839 1.375 1.00 0.00 C ATOM 911 C LYS A 63 -14.168 -1.635 2.509 1.00 0.00 C ATOM 912 O LYS A 63 -13.212 -2.386 2.292 1.00 0.00 O ATOM 913 CB LYS A 63 -16.275 -1.216 1.105 1.00 0.00 C ATOM 914 CG LYS A 63 -16.453 -2.689 0.729 1.00 0.00 C ATOM 915 CD LYS A 63 -17.799 -2.955 0.047 1.00 0.00 C ATOM 916 CE LYS A 63 -17.956 -4.434 -0.330 1.00 0.00 C ATOM 917 NZ LYS A 63 -16.851 -4.909 -1.182 1.00 0.00 N ATOM 0 H LYS A 63 -13.676 -1.911 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.811 0.199 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.870 -0.999 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.663 -0.592 0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.645 -2.992 0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.375 -3.303 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.610 -2.660 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.882 -2.339 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.998 -5.036 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.902 -4.576 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.101 -5.832 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.683 -4.224 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.988 -5.007 -0.609 1.00 0.00 H new ATOM 931 N VAL A 64 -14.663 -1.470 3.735 1.00 0.00 N ATOM 932 CA VAL A 64 -14.192 -2.252 4.875 1.00 0.00 C ATOM 933 C VAL A 64 -14.444 -3.746 4.580 1.00 0.00 C ATOM 934 O VAL A 64 -15.480 -4.112 4.019 1.00 0.00 O ATOM 935 CB VAL A 64 -14.831 -1.717 6.176 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.425 -2.533 7.408 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.404 -0.257 6.440 1.00 0.00 C ATOM 0 H VAL A 64 -15.395 -0.797 3.964 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.118 -2.149 5.030 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.908 -1.792 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.901 -2.115 8.295 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.742 -3.568 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.342 -2.498 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.867 0.097 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.319 -0.207 6.536 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.724 0.372 5.609 1.00 0.00 H new ATOM 947 N GLY A 65 -13.485 -4.626 4.904 1.00 0.00 N ATOM 948 CA GLY A 65 -13.620 -6.063 4.737 1.00 0.00 C ATOM 949 C GLY A 65 -13.045 -6.502 3.398 1.00 0.00 C ATOM 950 O GLY A 65 -12.907 -7.704 3.173 1.00 0.00 O ATOM 0 H GLY A 65 -12.585 -4.346 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.105 -6.579 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.671 -6.345 4.798 1.00 0.00 H new ATOM 954 N ASP A 66 -12.657 -5.559 2.532 1.00 0.00 N ATOM 955 CA ASP A 66 -11.931 -5.875 1.316 1.00 0.00 C ATOM 956 C ASP A 66 -10.520 -6.281 1.738 1.00 0.00 C ATOM 957 O ASP A 66 -9.676 -5.452 2.092 1.00 0.00 O ATOM 958 CB ASP A 66 -11.949 -4.725 0.299 1.00 0.00 C ATOM 959 CG ASP A 66 -13.311 -4.468 -0.363 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.313 -5.174 -0.069 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.397 -3.530 -1.181 1.00 0.00 O ATOM 0 H ASP A 66 -12.840 -4.564 2.661 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.413 -6.697 0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.627 -3.812 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.217 -4.937 -0.480 1.00 0.00 H new ATOM 966 N ARG A 67 -10.322 -7.595 1.798 1.00 0.00 N ATOM 967 CA ARG A 67 -9.037 -8.306 1.817 1.00 0.00 C ATOM 968 C ARG A 67 -8.097 -7.751 0.762 1.00 0.00 C ATOM 969 O ARG A 67 -8.532 -7.212 -0.253 1.00 0.00 O ATOM 970 CB ARG A 67 -9.211 -9.794 1.469 1.00 0.00 C ATOM 971 CG ARG A 67 -10.184 -10.535 2.376 1.00 0.00 C ATOM 972 CD ARG A 67 -10.589 -11.900 1.805 1.00 0.00 C ATOM 973 NE ARG A 67 -12.007 -12.191 2.048 1.00 0.00 N ATOM 974 CZ ARG A 67 -12.566 -13.264 2.612 1.00 0.00 C ATOM 975 NH1 ARG A 67 -11.844 -14.272 3.097 1.00 0.00 N ATOM 976 NH2 ARG A 67 -13.889 -13.291 2.668 1.00 0.00 N ATOM 0 H ARG A 67 -11.110 -8.242 1.838 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.639 -8.179 2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.556 -9.877 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.239 -10.284 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.729 -10.675 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.076 -9.926 2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.392 -11.919 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.975 -12.680 2.256 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.659 -11.469 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.826 -14.241 3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.309 -15.075 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.431 -12.514 2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.365 -14.089 3.089 1.00 0.00 H new ATOM 990 N ILE A 68 -6.806 -7.981 0.961 1.00 0.00 N ATOM 991 CA ILE A 68 -5.744 -7.368 0.167 1.00 0.00 C ATOM 992 C ILE A 68 -4.683 -8.434 -0.125 1.00 0.00 C ATOM 993 O ILE A 68 -4.102 -8.987 0.807 1.00 0.00 O ATOM 994 CB ILE A 68 -5.153 -6.143 0.911 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.248 -5.222 1.499 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.257 -5.342 -0.050 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.720 -4.048 2.322 1.00 0.00 C ATOM 0 H ILE A 68 -6.460 -8.607 1.688 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.138 -6.998 -0.780 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.567 -6.520 1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.853 -4.832 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.908 -5.820 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.841 -4.481 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.446 -5.977 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.849 -5.000 -0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.558 -3.458 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.140 -4.426 3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.084 -3.422 1.696 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.449 -8.762 -1.401 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.373 -9.627 -1.844 1.00 0.00 C ATOM 1011 C LEU A 69 -2.035 -8.895 -1.872 1.00 0.00 C ATOM 1012 O LEU A 69 -1.009 -9.487 -1.528 1.00 0.00 O ATOM 1013 CB LEU A 69 -3.643 -10.074 -3.283 1.00 0.00 C ATOM 1014 CG LEU A 69 -4.956 -10.805 -3.577 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.221 -11.975 -2.630 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -6.181 -9.899 -3.712 1.00 0.00 C ATOM 0 H LEU A 69 -5.026 -8.418 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.329 -10.464 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.604 -9.190 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.824 -10.724 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.796 -11.223 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.167 -12.449 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.414 -12.703 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.272 -11.609 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.062 -10.507 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.331 -9.348 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.025 -9.195 -4.530 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.026 -7.671 -2.416 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.826 -6.998 -2.899 1.00 0.00 C ATOM 1030 C ALA A 70 -1.020 -5.478 -3.013 1.00 0.00 C ATOM 1031 O ALA A 70 -2.153 -4.991 -3.033 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.493 -7.574 -4.286 1.00 0.00 C ATOM 0 H ALA A 70 -2.873 -7.115 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.018 -7.167 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.402 -7.090 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.318 -8.647 -4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.327 -7.394 -4.964 1.00 0.00 H new ATOM 1038 N VAL A 71 0.085 -4.739 -3.170 1.00 0.00 N ATOM 1039 CA VAL A 71 0.142 -3.280 -3.269 1.00 0.00 C ATOM 1040 C VAL A 71 0.940 -2.869 -4.498 1.00 0.00 C ATOM 1041 O VAL A 71 2.147 -3.106 -4.576 1.00 0.00 O ATOM 1042 CB VAL A 71 0.659 -2.659 -1.964 1.00 0.00 C ATOM 1043 CG1 VAL A 71 2.090 -3.042 -1.587 1.00 0.00 C ATOM 1044 CG2 VAL A 71 0.542 -1.128 -2.019 1.00 0.00 C ATOM 0 H VAL A 71 1.009 -5.166 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.865 -2.885 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 71 0.021 -3.075 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.363 -2.554 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.157 -4.123 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.772 -2.723 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.912 -0.701 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.133 -0.748 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.502 -0.848 -2.157 1.00 0.00 H new ATOM 1054 N ASN A 72 0.261 -2.286 -5.485 1.00 0.00 N ATOM 1055 CA ASN A 72 0.777 -2.032 -6.832 1.00 0.00 C ATOM 1056 C ASN A 72 1.272 -3.325 -7.487 1.00 0.00 C ATOM 1057 O ASN A 72 2.053 -3.281 -8.432 1.00 0.00 O ATOM 1058 CB ASN A 72 1.867 -0.946 -6.822 1.00 0.00 C ATOM 1059 CG ASN A 72 1.477 0.292 -6.038 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.405 0.854 -6.217 1.00 0.00 O ATOM 1061 ND2 ASN A 72 2.309 0.705 -5.095 1.00 0.00 N ATOM 0 H ASN A 72 -0.700 -1.965 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.047 -1.654 -7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.781 -1.363 -6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.094 -0.660 -7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.059 1.500 -4.507 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.200 0.228 -4.956 1.00 0.00 H new ATOM 1068 N GLY A 73 0.858 -4.479 -6.954 1.00 0.00 N ATOM 1069 CA GLY A 73 1.278 -5.801 -7.366 1.00 0.00 C ATOM 1070 C GLY A 73 2.359 -6.424 -6.482 1.00 0.00 C ATOM 1071 O GLY A 73 2.567 -7.632 -6.603 1.00 0.00 O ATOM 0 H GLY A 73 0.187 -4.506 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.409 -6.459 -7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.648 -5.749 -8.390 1.00 0.00 H new ATOM 1075 N GLN A 74 2.989 -5.687 -5.555 1.00 0.00 N ATOM 1076 CA GLN A 74 3.984 -6.264 -4.659 1.00 0.00 C ATOM 1077 C GLN A 74 3.236 -7.065 -3.599 1.00 0.00 C ATOM 1078 O GLN A 74 2.268 -6.572 -3.017 1.00 0.00 O ATOM 1079 CB GLN A 74 4.882 -5.163 -4.057 1.00 0.00 C ATOM 1080 CG GLN A 74 5.674 -5.536 -2.788 1.00 0.00 C ATOM 1081 CD GLN A 74 6.585 -6.763 -2.885 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.422 -7.651 -3.719 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.574 -6.868 -2.016 1.00 0.00 N ATOM 0 H GLN A 74 2.822 -4.691 -5.412 1.00 0.00 H new ATOM 0 HA GLN A 74 4.659 -6.930 -5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.592 -4.847 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.256 -4.301 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.285 -4.679 -2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.963 -5.703 -1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.720 -6.138 -1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.192 -7.679 -2.042 1.00 0.00 H new ATOM 1092 N SER A 75 3.681 -8.293 -3.356 1.00 0.00 N ATOM 1093 CA SER A 75 3.161 -9.156 -2.315 1.00 0.00 C ATOM 1094 C SER A 75 3.381 -8.511 -0.943 1.00 0.00 C ATOM 1095 O SER A 75 4.460 -7.990 -0.666 1.00 0.00 O ATOM 1096 CB SER A 75 3.846 -10.525 -2.427 1.00 0.00 C ATOM 1097 OG SER A 75 5.262 -10.429 -2.480 1.00 0.00 O ATOM 0 H SER A 75 4.433 -8.722 -3.895 1.00 0.00 H new ATOM 0 HA SER A 75 2.087 -9.297 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.560 -11.140 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.487 -11.034 -3.322 1.00 0.00 H new ATOM 0 HG SER A 75 5.648 -11.327 -2.549 1.00 0.00 H new ATOM 1103 N ILE A 76 2.370 -8.575 -0.078 1.00 0.00 N ATOM 1104 CA ILE A 76 2.395 -8.030 1.287 1.00 0.00 C ATOM 1105 C ILE A 76 2.300 -9.150 2.339 1.00 0.00 C ATOM 1106 O ILE A 76 2.431 -8.912 3.542 1.00 0.00 O ATOM 1107 CB ILE A 76 1.303 -6.945 1.430 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.098 -7.529 1.151 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.621 -5.770 0.486 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.235 -6.512 1.173 1.00 0.00 C ATOM 0 H ILE A 76 1.482 -9.020 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 76 3.354 -7.546 1.474 1.00 0.00 H new ATOM 0 HB ILE A 76 1.297 -6.577 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.085 -8.016 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.307 -8.302 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.852 -5.004 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.591 -5.346 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.646 -6.127 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.179 -7.017 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.283 -6.041 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.057 -5.751 0.413 1.00 0.00 H new ATOM 1122 N ILE A 77 2.122 -10.393 1.888 1.00 0.00 N ATOM 1123 CA ILE A 77 2.368 -11.602 2.672 1.00 0.00 C ATOM 1124 C ILE A 77 3.842 -11.553 3.117 1.00 0.00 C ATOM 1125 O ILE A 77 4.688 -11.097 2.348 1.00 0.00 O ATOM 1126 CB ILE A 77 2.061 -12.873 1.841 1.00 0.00 C ATOM 1127 CG1 ILE A 77 0.805 -12.677 0.956 1.00 0.00 C ATOM 1128 CG2 ILE A 77 1.890 -14.069 2.798 1.00 0.00 C ATOM 1129 CD1 ILE A 77 0.256 -13.959 0.336 1.00 0.00 C ATOM 0 H ILE A 77 1.794 -10.590 0.943 1.00 0.00 H new ATOM 0 HA ILE A 77 1.713 -11.645 3.542 1.00 0.00 H new ATOM 0 HB ILE A 77 2.894 -13.070 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.022 -12.216 1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.046 -11.977 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.674 -14.968 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.809 -14.215 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.067 -13.871 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.622 -13.725 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.019 -14.413 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.022 -14.656 1.127 1.00 0.00 H new ATOM 1141 N ASN A 78 4.170 -12.047 4.314 1.00 0.00 N ATOM 1142 CA ASN A 78 5.517 -12.253 4.875 1.00 0.00 C ATOM 1143 C ASN A 78 6.323 -10.985 5.171 1.00 0.00 C ATOM 1144 O ASN A 78 7.255 -11.063 5.975 1.00 0.00 O ATOM 1145 CB ASN A 78 6.374 -13.181 4.000 1.00 0.00 C ATOM 1146 CG ASN A 78 5.633 -14.404 3.495 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.155 -15.215 4.283 1.00 0.00 O ATOM 1148 ND2 ASN A 78 5.489 -14.543 2.189 1.00 0.00 N ATOM 0 H ASN A 78 3.446 -12.338 4.971 1.00 0.00 H new ATOM 0 HA ASN A 78 5.301 -12.716 5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.748 -12.616 3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.243 -13.505 4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.971 -15.338 1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.896 -13.855 1.555 1.00 0.00 H new ATOM 1155 N MET A 79 6.006 -9.853 4.536 1.00 0.00 N ATOM 1156 CA MET A 79 6.630 -8.558 4.787 1.00 0.00 C ATOM 1157 C MET A 79 6.216 -8.039 6.172 1.00 0.00 C ATOM 1158 O MET A 79 5.082 -8.306 6.607 1.00 0.00 O ATOM 1159 CB MET A 79 6.189 -7.543 3.713 1.00 0.00 C ATOM 1160 CG MET A 79 7.220 -7.360 2.608 1.00 0.00 C ATOM 1161 SD MET A 79 6.619 -6.488 1.136 1.00 0.00 S ATOM 1162 CE MET A 79 7.070 -4.773 1.516 1.00 0.00 C ATOM 0 H MET A 79 5.287 -9.815 3.813 1.00 0.00 H new ATOM 0 HA MET A 79 7.713 -8.678 4.750 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.248 -7.874 3.273 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.998 -6.580 4.187 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.072 -6.813 3.013 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.585 -8.342 2.306 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.130 -4.199 0.591 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.314 -4.334 2.167 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.037 -4.754 2.019 1.00 0.00 H new ATOM 1172 N PRO A 80 7.073 -7.242 6.833 1.00 0.00 N ATOM 1173 CA PRO A 80 6.738 -6.575 8.079 1.00 0.00 C ATOM 1174 C PRO A 80 5.801 -5.395 7.802 1.00 0.00 C ATOM 1175 O PRO A 80 5.833 -4.792 6.725 1.00 0.00 O ATOM 1176 CB PRO A 80 8.083 -6.118 8.648 1.00 0.00 C ATOM 1177 CG PRO A 80 8.912 -5.821 7.403 1.00 0.00 C ATOM 1178 CD PRO A 80 8.404 -6.843 6.383 1.00 0.00 C ATOM 0 HA PRO A 80 6.212 -7.219 8.784 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.974 -5.235 9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.543 -6.892 9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.762 -4.799 7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.979 -5.940 7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.363 -6.409 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.071 -7.704 6.329 1.00 0.00 H new ATOM 1186 N HIS A 81 5.002 -5.018 8.803 1.00 0.00 N ATOM 1187 CA HIS A 81 4.028 -3.934 8.691 1.00 0.00 C ATOM 1188 C HIS A 81 4.683 -2.636 8.232 1.00 0.00 C ATOM 1189 O HIS A 81 4.099 -1.922 7.422 1.00 0.00 O ATOM 1190 CB HIS A 81 3.325 -3.696 10.037 1.00 0.00 C ATOM 1191 CG HIS A 81 1.831 -3.880 9.994 1.00 0.00 C ATOM 1192 ND1 HIS A 81 0.886 -2.973 9.564 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.169 -4.969 10.480 1.00 0.00 C ATOM 1194 CE1 HIS A 81 -0.324 -3.519 9.788 1.00 0.00 C ATOM 1195 NE2 HIS A 81 -0.203 -4.726 10.376 1.00 0.00 N ATOM 0 H HIS A 81 5.014 -5.462 9.721 1.00 0.00 H new ATOM 0 HA HIS A 81 3.295 -4.238 7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.743 -4.378 10.778 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.546 -2.684 10.375 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.626 -5.864 10.876 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.264 -3.053 9.531 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.959 -5.338 10.683 1.00 0.00 H new ATOM 1203 N ALA A 82 5.867 -2.318 8.767 1.00 0.00 N ATOM 1204 CA ALA A 82 6.540 -1.059 8.492 1.00 0.00 C ATOM 1205 C ALA A 82 6.769 -0.869 7.004 1.00 0.00 C ATOM 1206 O ALA A 82 6.513 0.224 6.499 1.00 0.00 O ATOM 1207 CB ALA A 82 7.880 -1.007 9.236 1.00 0.00 C ATOM 0 H ALA A 82 6.379 -2.931 9.401 1.00 0.00 H new ATOM 0 HA ALA A 82 5.898 -0.251 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.377 -0.060 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.704 -1.093 10.308 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.512 -1.831 8.905 1.00 0.00 H new ATOM 1213 N ASP A 83 7.228 -1.920 6.328 1.00 0.00 N ATOM 1214 CA ASP A 83 7.577 -1.857 4.921 1.00 0.00 C ATOM 1215 C ASP A 83 6.322 -1.689 4.081 1.00 0.00 C ATOM 1216 O ASP A 83 6.281 -0.856 3.189 1.00 0.00 O ATOM 1217 CB ASP A 83 8.348 -3.110 4.498 1.00 0.00 C ATOM 1218 CG ASP A 83 9.422 -2.708 3.503 1.00 0.00 C ATOM 1219 OD1 ASP A 83 9.125 -2.465 2.319 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.578 -2.531 3.961 1.00 0.00 O ATOM 0 H ASP A 83 7.367 -2.840 6.747 1.00 0.00 H new ATOM 0 HA ASP A 83 8.223 -0.994 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.799 -3.588 5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.671 -3.837 4.050 1.00 0.00 H new ATOM 1225 N ILE A 84 5.257 -2.422 4.416 1.00 0.00 N ATOM 1226 CA ILE A 84 3.964 -2.374 3.736 1.00 0.00 C ATOM 1227 C ILE A 84 3.347 -0.971 3.893 1.00 0.00 C ATOM 1228 O ILE A 84 2.804 -0.425 2.932 1.00 0.00 O ATOM 1229 CB ILE A 84 3.075 -3.504 4.319 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.690 -4.893 4.023 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.625 -3.476 3.800 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.122 -5.988 4.932 1.00 0.00 C ATOM 0 H ILE A 84 5.273 -3.084 5.191 1.00 0.00 H new ATOM 0 HA ILE A 84 4.065 -2.544 2.664 1.00 0.00 H new ATOM 0 HB ILE A 84 3.040 -3.325 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.503 -5.156 2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.771 -4.843 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.062 -4.294 4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.161 -2.526 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.624 -3.588 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.585 -6.943 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.332 -5.742 5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.044 -6.059 4.786 1.00 0.00 H new ATOM 1244 N VAL A 85 3.441 -0.356 5.075 1.00 0.00 N ATOM 1245 CA VAL A 85 3.012 1.017 5.319 1.00 0.00 C ATOM 1246 C VAL A 85 3.840 1.969 4.459 1.00 0.00 C ATOM 1247 O VAL A 85 3.270 2.843 3.791 1.00 0.00 O ATOM 1248 CB VAL A 85 3.103 1.293 6.827 1.00 0.00 C ATOM 1249 CG1 VAL A 85 2.990 2.774 7.200 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.049 0.515 7.628 1.00 0.00 C ATOM 0 H VAL A 85 3.826 -0.811 5.903 1.00 0.00 H new ATOM 0 HA VAL A 85 1.974 1.177 5.028 1.00 0.00 H new ATOM 0 HB VAL A 85 4.103 0.950 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.064 2.883 8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.796 3.332 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.030 3.162 6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.155 0.744 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.052 0.802 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.190 -0.555 7.472 1.00 0.00 H new ATOM 1260 N LYS A 86 5.172 1.810 4.459 1.00 0.00 N ATOM 1261 CA LYS A 86 6.050 2.611 3.624 1.00 0.00 C ATOM 1262 C LYS A 86 5.697 2.462 2.146 1.00 0.00 C ATOM 1263 O LYS A 86 5.607 3.472 1.460 1.00 0.00 O ATOM 1264 CB LYS A 86 7.530 2.263 3.881 1.00 0.00 C ATOM 1265 CG LYS A 86 8.377 3.527 4.077 1.00 0.00 C ATOM 1266 CD LYS A 86 8.558 3.897 5.555 1.00 0.00 C ATOM 1267 CE LYS A 86 9.263 5.255 5.650 1.00 0.00 C ATOM 1268 NZ LYS A 86 9.811 5.518 6.995 1.00 0.00 N ATOM 0 H LYS A 86 5.658 1.125 5.037 1.00 0.00 H new ATOM 0 HA LYS A 86 5.902 3.656 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.608 1.630 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.921 1.688 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.356 3.377 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.906 4.359 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.589 3.941 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.144 3.133 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.071 5.293 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.559 6.045 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.277 6.448 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.039 5.510 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.504 4.781 7.238 1.00 0.00 H new ATOM 1282 N LEU A 87 5.432 1.252 1.650 1.00 0.00 N ATOM 1283 CA LEU A 87 5.146 0.941 0.268 1.00 0.00 C ATOM 1284 C LEU A 87 3.912 1.678 -0.231 1.00 0.00 C ATOM 1285 O LEU A 87 3.859 2.034 -1.407 1.00 0.00 O ATOM 1286 CB LEU A 87 4.890 -0.575 0.227 1.00 0.00 C ATOM 1287 CG LEU A 87 6.068 -1.538 -0.013 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.907 -2.236 -1.359 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.466 -0.929 0.042 1.00 0.00 C ATOM 0 H LEU A 87 5.413 0.423 2.244 1.00 0.00 H new ATOM 0 HA LEU A 87 5.975 1.245 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.428 -0.854 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.152 -0.760 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 87 6.012 -2.228 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.745 -2.915 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.975 -2.802 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.886 -1.491 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.209 -1.705 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.555 -0.154 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.634 -0.492 1.026 1.00 0.00 H new ATOM 1301 N ILE A 88 2.913 1.886 0.626 1.00 0.00 N ATOM 1302 CA ILE A 88 1.747 2.695 0.307 1.00 0.00 C ATOM 1303 C ILE A 88 2.176 4.167 0.304 1.00 0.00 C ATOM 1304 O ILE A 88 1.828 4.914 -0.613 1.00 0.00 O ATOM 1305 CB ILE A 88 0.655 2.430 1.353 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.174 0.962 1.356 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.543 3.362 1.148 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.502 0.576 2.676 1.00 0.00 C ATOM 0 H ILE A 88 2.894 1.493 1.567 1.00 0.00 H new ATOM 0 HA ILE A 88 1.343 2.443 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 88 1.111 2.632 2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.525 0.809 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.024 0.303 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.301 3.152 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.218 4.398 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.964 3.200 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.823 -0.465 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.204 0.702 3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.369 1.216 2.842 1.00 0.00 H new ATOM 1320 N LYS A 89 2.903 4.603 1.339 1.00 0.00 N ATOM 1321 CA LYS A 89 3.323 5.999 1.462 1.00 0.00 C ATOM 1322 C LYS A 89 4.156 6.447 0.259 1.00 0.00 C ATOM 1323 O LYS A 89 4.061 7.605 -0.142 1.00 0.00 O ATOM 1324 CB LYS A 89 4.111 6.221 2.763 1.00 0.00 C ATOM 1325 CG LYS A 89 3.875 7.652 3.260 1.00 0.00 C ATOM 1326 CD LYS A 89 4.903 8.070 4.307 1.00 0.00 C ATOM 1327 CE LYS A 89 4.531 9.453 4.850 1.00 0.00 C ATOM 1328 NZ LYS A 89 5.694 10.118 5.458 1.00 0.00 N ATOM 0 H LYS A 89 3.212 4.005 2.105 1.00 0.00 H new ATOM 0 HA LYS A 89 2.418 6.606 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.794 5.504 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.174 6.054 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.917 8.340 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.874 7.728 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.931 7.342 5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.900 8.095 3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.138 10.070 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.737 9.354 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.411 11.052 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.053 9.539 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.441 10.233 4.744 1.00 0.00 H new ATOM 1342 N ASP A 90 4.932 5.538 -0.321 1.00 0.00 N ATOM 1343 CA ASP A 90 5.837 5.794 -1.433 1.00 0.00 C ATOM 1344 C ASP A 90 5.241 5.367 -2.776 1.00 0.00 C ATOM 1345 O ASP A 90 5.910 5.506 -3.796 1.00 0.00 O ATOM 1346 CB ASP A 90 7.204 5.133 -1.162 1.00 0.00 C ATOM 1347 CG ASP A 90 8.281 6.188 -0.914 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.104 7.064 -0.040 1.00 0.00 O ATOM 1349 OD2 ASP A 90 9.346 6.169 -1.577 1.00 0.00 O ATOM 0 H ASP A 90 4.948 4.565 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 90 5.989 6.871 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.129 4.474 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.487 4.512 -2.012 1.00 0.00 H new ATOM 1354 N ALA A 91 3.994 4.866 -2.811 1.00 0.00 N ATOM 1355 CA ALA A 91 3.411 4.268 -4.015 1.00 0.00 C ATOM 1356 C ALA A 91 3.429 5.169 -5.266 1.00 0.00 C ATOM 1357 O ALA A 91 3.521 4.637 -6.377 1.00 0.00 O ATOM 1358 CB ALA A 91 1.975 3.829 -3.712 1.00 0.00 C ATOM 0 H ALA A 91 3.367 4.866 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 91 4.046 3.418 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.535 3.383 -4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.981 3.096 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.386 4.695 -3.411 1.00 0.00 H new ATOM 1364 N GLY A 92 3.372 6.498 -5.111 1.00 0.00 N ATOM 1365 CA GLY A 92 3.383 7.458 -6.213 1.00 0.00 C ATOM 1366 C GLY A 92 2.172 8.387 -6.216 1.00 0.00 C ATOM 1367 O GLY A 92 1.736 8.812 -7.287 1.00 0.00 O ATOM 0 H GLY A 92 3.316 6.942 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.292 8.057 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.419 6.916 -7.158 1.00 0.00 H new ATOM 1371 N LEU A 93 1.573 8.657 -5.050 1.00 0.00 N ATOM 1372 CA LEU A 93 0.241 9.247 -4.803 1.00 0.00 C ATOM 1373 C LEU A 93 -0.909 8.478 -5.411 1.00 0.00 C ATOM 1374 O LEU A 93 -2.012 8.585 -4.907 1.00 0.00 O ATOM 1375 CB LEU A 93 0.043 10.694 -5.266 1.00 0.00 C ATOM 1376 CG LEU A 93 1.235 11.600 -5.074 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.926 13.020 -5.562 1.00 0.00 C ATOM 1378 CD2 LEU A 93 1.706 11.623 -3.616 1.00 0.00 C ATOM 0 H LEU A 93 2.048 8.451 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 93 0.227 9.202 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.221 10.687 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.805 11.118 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 93 2.048 11.194 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.800 13.654 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.673 12.994 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.085 13.423 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.565 12.287 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.898 11.982 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.990 10.616 -3.309 1.00 0.00 H new ATOM 1390 N SER A 94 -0.667 7.686 -6.438 1.00 0.00 N ATOM 1391 CA SER A 94 -1.574 6.643 -6.824 1.00 0.00 C ATOM 1392 C SER A 94 -1.071 5.390 -6.112 1.00 0.00 C ATOM 1393 O SER A 94 0.123 5.258 -5.830 1.00 0.00 O ATOM 1394 CB SER A 94 -1.551 6.479 -8.338 1.00 0.00 C ATOM 1395 OG SER A 94 -1.477 7.739 -9.002 1.00 0.00 O ATOM 0 H SER A 94 0.166 7.754 -7.023 1.00 0.00 H new ATOM 0 HA SER A 94 -2.607 6.856 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.697 5.865 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.447 5.949 -8.661 1.00 0.00 H new ATOM 0 HG SER A 94 -2.380 8.100 -9.121 1.00 0.00 H new ATOM 1401 N VAL A 95 -1.989 4.506 -5.764 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.722 3.178 -5.281 1.00 0.00 C ATOM 1403 C VAL A 95 -2.822 2.317 -5.871 1.00 0.00 C ATOM 1404 O VAL A 95 -3.977 2.748 -5.908 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.687 3.159 -3.741 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.026 3.482 -3.053 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.196 1.806 -3.234 1.00 0.00 C ATOM 0 H VAL A 95 -2.987 4.712 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.745 2.800 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.998 3.961 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.898 3.443 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.353 4.480 -3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.776 2.752 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.178 1.811 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.868 1.021 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.191 1.618 -3.613 1.00 0.00 H new ATOM 1417 N THR A 96 -2.478 1.113 -6.295 1.00 0.00 N ATOM 1418 CA THR A 96 -3.396 0.171 -6.883 1.00 0.00 C ATOM 1419 C THR A 96 -3.412 -1.043 -5.967 1.00 0.00 C ATOM 1420 O THR A 96 -2.459 -1.821 -5.896 1.00 0.00 O ATOM 1421 CB THR A 96 -3.001 -0.082 -8.340 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.780 1.164 -8.974 1.00 0.00 O ATOM 1423 CG2 THR A 96 -4.151 -0.759 -9.068 1.00 0.00 C ATOM 0 H THR A 96 -1.523 0.760 -6.235 1.00 0.00 H new ATOM 0 HA THR A 96 -4.423 0.530 -6.951 1.00 0.00 H new ATOM 0 HB THR A 96 -2.108 -0.706 -8.366 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.524 1.015 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.869 -0.939 -10.105 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.379 -1.709 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.030 -0.116 -9.037 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.463 -1.148 -5.163 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.575 -2.154 -4.120 1.00 0.00 C ATOM 1433 C LEU A 97 -5.242 -3.358 -4.754 1.00 0.00 C ATOM 1434 O LEU A 97 -6.332 -3.235 -5.322 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.410 -1.613 -2.953 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.680 -0.483 -2.200 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.680 0.408 -1.459 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.636 -1.038 -1.218 1.00 0.00 C ATOM 0 H LEU A 97 -5.271 -0.528 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.599 -2.423 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.363 -1.242 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.635 -2.424 -2.261 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.156 0.117 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.144 1.199 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.372 0.852 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.238 -0.191 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.142 -0.212 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.129 -1.676 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.895 -1.620 -1.766 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.572 -4.508 -4.710 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.130 -5.737 -5.247 1.00 0.00 C ATOM 1452 C ARG A 98 -6.023 -6.336 -4.175 1.00 0.00 C ATOM 1453 O ARG A 98 -5.502 -6.799 -3.158 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.026 -6.694 -5.722 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.578 -7.592 -6.839 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.569 -8.628 -7.341 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.776 -8.917 -8.772 1.00 0.00 N ATOM 1458 CZ ARG A 98 -3.047 -9.744 -9.530 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.145 -10.552 -8.982 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -3.232 -9.771 -10.842 1.00 0.00 N ATOM 0 H ARG A 98 -3.641 -4.609 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.727 -5.538 -6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.169 -6.127 -6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.675 -7.304 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.466 -8.108 -6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.893 -6.967 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.555 -8.260 -7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.668 -9.547 -6.763 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.552 -8.439 -9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.002 -10.546 -7.972 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.596 -11.178 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.929 -9.162 -11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.678 -10.400 -11.422 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.340 -6.322 -4.372 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.308 -6.826 -3.394 1.00 0.00 C ATOM 1476 C ILE A 99 -8.997 -8.088 -3.912 1.00 0.00 C ATOM 1477 O ILE A 99 -8.992 -8.333 -5.122 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.296 -5.716 -2.967 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.219 -5.217 -4.102 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.523 -4.533 -2.356 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.576 -5.925 -4.140 1.00 0.00 C ATOM 0 H ILE A 99 -7.771 -5.958 -5.222 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.776 -7.119 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.954 -6.168 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.380 -4.145 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.716 -5.360 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.225 -3.755 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.967 -4.874 -1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.829 -4.132 -3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.172 -5.525 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.425 -6.994 -4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.099 -5.760 -3.198 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.601 -8.878 -3.013 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.477 -9.989 -3.382 1.00 0.00 C ATOM 1495 C ILE A 100 -11.903 -9.421 -3.460 1.00 0.00 C ATOM 1496 O ILE A 100 -12.386 -8.870 -2.465 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.376 -11.175 -2.395 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.956 -11.775 -2.457 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.428 -12.232 -2.762 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.748 -13.062 -1.647 1.00 0.00 C ATOM 0 H ILE A 100 -9.492 -8.760 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.175 -10.404 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.565 -10.831 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.711 -11.979 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.248 -11.025 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.360 -13.070 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.423 -11.791 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.249 -12.586 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.718 -13.400 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.954 -12.867 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.425 -13.835 -2.012 1.00 0.00 H new