USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 52 GLN : amide:sc= -4.68 K(o=-6.8,f=-8.3!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.798 USER MOD Set 1.3: A 107 MET CE :methyl 142:sc= -1.35 (180deg=-2.84!) USER MOD Set 2.1: A 47 HIS : no HE2:sc= 0.0709 K(o=0.88,f=-0.85) USER MOD Set 2.2: A 48 SER OG : rot 99:sc= 0.811 USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.00121 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.439 F(o=-1.9,f=-0.44) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -140:sc= 2.11 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.088) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 45 SER OG : rot -146:sc= 1.32 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.56! C(o=-2.6!,f=-3.3!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.346 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.27) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.16! USER MOD Single : A 89 ASN : amide:sc= -2.25 X(o=-2.3,f=-2.1!) USER MOD Single : A 104 CYS SG : rot -126:sc= 1.78 USER MOD Single : A 106 MET CE :methyl 149:sc= 0 (180deg=-0.828) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.130 -18.726 -1.334 1.00 0.00 N ATOM 82 CA THR A 7 0.087 -17.902 -0.734 1.00 0.00 C ATOM 83 C THR A 7 -0.295 -16.752 -1.659 1.00 0.00 C ATOM 84 O THR A 7 -1.147 -15.930 -1.322 1.00 0.00 O ATOM 85 CB THR A 7 0.555 -17.351 0.616 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.551 -17.092 1.462 1.00 0.00 O ATOM 87 CG2 THR A 7 1.355 -16.067 0.502 1.00 0.00 C ATOM 0 HA THR A 7 -0.791 -18.528 -0.578 1.00 0.00 H new ATOM 0 HB THR A 7 1.201 -18.124 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.245 -16.619 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.653 -15.735 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.244 -16.245 -0.103 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.743 -15.298 0.031 1.00 0.00 H new ATOM 95 N CYS A 8 0.347 -16.694 -2.821 1.00 0.00 N ATOM 96 CA CYS A 8 0.077 -15.635 -3.784 1.00 0.00 C ATOM 97 C CYS A 8 -0.580 -16.183 -5.050 1.00 0.00 C ATOM 98 O CYS A 8 0.099 -16.479 -6.033 1.00 0.00 O ATOM 99 CB CYS A 8 1.371 -14.898 -4.134 1.00 0.00 C ATOM 100 SG CYS A 8 2.520 -14.710 -2.729 1.00 0.00 S ATOM 0 H CYS A 8 1.055 -17.366 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.620 -14.935 -3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.878 -15.435 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.121 -13.910 -4.521 1.00 0.00 H new ATOM 105 N PRO A 9 -1.919 -16.324 -5.038 1.00 0.00 N ATOM 106 CA PRO A 9 -2.668 -16.836 -6.187 1.00 0.00 C ATOM 107 C PRO A 9 -2.783 -15.814 -7.317 1.00 0.00 C ATOM 108 O PRO A 9 -2.166 -15.970 -8.371 1.00 0.00 O ATOM 109 CB PRO A 9 -4.045 -17.147 -5.600 1.00 0.00 C ATOM 110 CG PRO A 9 -4.188 -16.210 -4.451 1.00 0.00 C ATOM 111 CD PRO A 9 -2.803 -15.996 -3.902 1.00 0.00 C ATOM 0 HA PRO A 9 -2.177 -17.697 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.833 -16.993 -6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.111 -18.185 -5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.629 -15.266 -4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.847 -16.627 -3.690 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.660 -14.969 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.609 -16.641 -3.045 1.00 0.00 H new ATOM 119 N GLU A 10 -3.578 -14.773 -7.092 1.00 0.00 N ATOM 120 CA GLU A 10 -3.778 -13.730 -8.095 1.00 0.00 C ATOM 121 C GLU A 10 -3.478 -12.347 -7.522 1.00 0.00 C ATOM 122 O GLU A 10 -2.417 -11.777 -7.778 1.00 0.00 O ATOM 123 CB GLU A 10 -5.210 -13.772 -8.633 1.00 0.00 C ATOM 124 CG GLU A 10 -5.932 -15.081 -8.357 1.00 0.00 C ATOM 125 CD GLU A 10 -7.015 -15.377 -9.377 1.00 0.00 C ATOM 126 OE1 GLU A 10 -7.871 -14.498 -9.606 1.00 0.00 O ATOM 127 OE2 GLU A 10 -7.005 -16.489 -9.945 1.00 0.00 O ATOM 0 H GLU A 10 -4.095 -14.628 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.084 -13.919 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.778 -12.954 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.189 -13.600 -9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.209 -15.897 -8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.376 -15.044 -7.362 1.00 0.00 H new ATOM 134 N LYS A 11 -4.421 -11.813 -6.751 1.00 0.00 N ATOM 135 CA LYS A 11 -4.265 -10.495 -6.143 1.00 0.00 C ATOM 136 C LYS A 11 -2.939 -10.394 -5.397 1.00 0.00 C ATOM 137 O LYS A 11 -2.280 -9.358 -5.414 1.00 0.00 O ATOM 138 CB LYS A 11 -5.425 -10.211 -5.186 1.00 0.00 C ATOM 139 CG LYS A 11 -6.794 -10.462 -5.798 1.00 0.00 C ATOM 140 CD LYS A 11 -7.889 -10.430 -4.744 1.00 0.00 C ATOM 141 CE LYS A 11 -8.760 -9.192 -4.885 1.00 0.00 C ATOM 142 NZ LYS A 11 -10.004 -9.472 -5.653 1.00 0.00 N ATOM 0 H LYS A 11 -5.304 -12.274 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.270 -9.752 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.313 -10.834 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.368 -9.173 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.997 -9.708 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.798 -11.430 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.507 -11.323 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.440 -10.450 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.021 -8.817 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.194 -8.405 -5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.570 -8.602 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.756 -9.805 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.557 -10.204 -5.163 1.00 0.00 H new ATOM 156 N TRP A 12 -2.555 -11.484 -4.749 1.00 0.00 N ATOM 157 CA TRP A 12 -1.309 -11.540 -4.000 1.00 0.00 C ATOM 158 C TRP A 12 -0.115 -11.562 -4.947 1.00 0.00 C ATOM 159 O TRP A 12 -0.173 -12.166 -6.019 1.00 0.00 O ATOM 160 CB TRP A 12 -1.280 -12.780 -3.107 1.00 0.00 C ATOM 161 CG TRP A 12 -2.307 -12.769 -2.015 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.655 -12.602 -2.154 1.00 0.00 C ATOM 163 CD2 TRP A 12 -2.067 -12.944 -0.614 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.267 -12.659 -0.925 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.313 -12.869 0.036 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.918 -13.157 0.154 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.442 -12.999 1.416 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -1.048 -13.286 1.524 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.301 -13.207 2.143 1.00 0.00 C ATOM 0 H TRP A 12 -3.095 -12.349 -4.727 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.248 -10.649 -3.375 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.432 -13.664 -3.726 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.290 -12.870 -2.660 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.166 -12.448 -3.093 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.268 -12.561 -0.756 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.053 -13.220 -0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.408 -12.938 1.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.168 -13.451 2.127 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.369 -13.312 3.216 1.00 0.00 H new ATOM 180 N ILE A 13 0.967 -10.903 -4.548 1.00 0.00 N ATOM 181 CA ILE A 13 2.173 -10.851 -5.365 1.00 0.00 C ATOM 182 C ILE A 13 3.426 -11.089 -4.524 1.00 0.00 C ATOM 183 O ILE A 13 3.652 -10.405 -3.530 1.00 0.00 O ATOM 184 CB ILE A 13 2.312 -9.493 -6.082 1.00 0.00 C ATOM 185 CG1 ILE A 13 0.991 -8.710 -6.035 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.765 -9.708 -7.515 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.049 -9.001 -7.190 1.00 0.00 C ATOM 0 H ILE A 13 1.034 -10.398 -3.664 1.00 0.00 H new ATOM 0 HA ILE A 13 2.078 -11.643 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 13 3.066 -8.900 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.481 -8.938 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.215 -7.643 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.861 -8.744 -8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.729 -10.216 -7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.031 -10.318 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.858 -8.407 -7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.537 -8.745 -8.131 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.209 -10.060 -7.191 1.00 0.00 H new ATOM 199 N ASN A 14 4.241 -12.058 -4.936 1.00 0.00 N ATOM 200 CA ASN A 14 5.471 -12.387 -4.220 1.00 0.00 C ATOM 201 C ASN A 14 6.701 -11.909 -4.985 1.00 0.00 C ATOM 202 O ASN A 14 6.678 -11.796 -6.211 1.00 0.00 O ATOM 203 CB ASN A 14 5.562 -13.892 -3.972 1.00 0.00 C ATOM 204 CG ASN A 14 6.898 -14.304 -3.383 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.105 -13.992 -2.110 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 7.733 -14.898 -4.066 1.00 0.00 N flip ATOM 0 H ASN A 14 4.071 -12.630 -5.763 1.00 0.00 H new ATOM 0 HA ASN A 14 5.443 -11.871 -3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.762 -14.195 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.404 -14.422 -4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.531 -15.118 -5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.626 -15.170 -3.656 1.00 0.00 H new ATOM 213 N PHE A 15 7.770 -11.619 -4.250 1.00 0.00 N ATOM 214 CA PHE A 15 9.010 -11.143 -4.853 1.00 0.00 C ATOM 215 C PHE A 15 10.212 -11.935 -4.337 1.00 0.00 C ATOM 216 O PHE A 15 10.207 -13.166 -4.364 1.00 0.00 O ATOM 217 CB PHE A 15 9.191 -9.651 -4.564 1.00 0.00 C ATOM 218 CG PHE A 15 7.916 -8.865 -4.651 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.469 -8.372 -5.866 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.162 -8.624 -3.515 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.293 -7.652 -5.945 1.00 0.00 C ATOM 222 CE2 PHE A 15 5.986 -7.905 -3.588 1.00 0.00 C ATOM 223 CZ PHE A 15 5.550 -7.419 -4.804 1.00 0.00 C ATOM 0 H PHE A 15 7.802 -11.706 -3.234 1.00 0.00 H new ATOM 0 HA PHE A 15 8.948 -11.293 -5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.615 -9.531 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.912 -9.237 -5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.046 -8.553 -6.761 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.498 -9.003 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.955 -7.272 -6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.408 -7.723 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.629 -6.857 -4.863 1.00 0.00 H new ATOM 233 N GLN A 16 11.240 -11.224 -3.872 1.00 0.00 N ATOM 234 CA GLN A 16 12.445 -11.864 -3.354 1.00 0.00 C ATOM 235 C GLN A 16 12.096 -12.946 -2.338 1.00 0.00 C ATOM 236 O GLN A 16 12.645 -14.047 -2.379 1.00 0.00 O ATOM 237 CB GLN A 16 13.364 -10.823 -2.711 1.00 0.00 C ATOM 238 CG GLN A 16 13.760 -9.697 -3.654 1.00 0.00 C ATOM 239 CD GLN A 16 14.945 -10.061 -4.529 1.00 0.00 C ATOM 240 OE1 GLN A 16 14.783 -10.644 -5.601 1.00 0.00 O ATOM 241 NE2 GLN A 16 16.144 -9.718 -4.074 1.00 0.00 N ATOM 0 H GLN A 16 11.260 -10.205 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 16 12.964 -12.332 -4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.865 -10.398 -1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.266 -11.319 -2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.910 -9.442 -4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.002 -8.808 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.231 -9.236 -3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.978 -9.937 -4.619 1.00 0.00 H new ATOM 250 N ARG A 17 11.177 -12.629 -1.429 1.00 0.00 N ATOM 251 CA ARG A 17 10.761 -13.583 -0.410 1.00 0.00 C ATOM 252 C ARG A 17 9.480 -13.134 0.283 1.00 0.00 C ATOM 253 O ARG A 17 8.953 -13.838 1.145 1.00 0.00 O ATOM 254 CB ARG A 17 11.872 -13.782 0.622 1.00 0.00 C ATOM 255 CG ARG A 17 12.281 -12.501 1.330 1.00 0.00 C ATOM 256 CD ARG A 17 13.666 -12.046 0.902 1.00 0.00 C ATOM 257 NE ARG A 17 14.627 -12.110 1.999 1.00 0.00 N ATOM 258 CZ ARG A 17 15.644 -12.965 2.039 1.00 0.00 C ATOM 259 NH1 ARG A 17 15.832 -13.825 1.048 1.00 0.00 N ATOM 260 NH2 ARG A 17 16.476 -12.960 3.073 1.00 0.00 N ATOM 0 H ARG A 17 10.710 -11.724 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 17 10.562 -14.532 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.541 -14.508 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.745 -14.208 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.556 -11.717 1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.266 -12.659 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.014 -12.670 0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.612 -11.024 0.527 1.00 0.00 H new ATOM 0 HE ARG A 17 14.512 -11.462 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.195 -13.832 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.614 -14.480 1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.335 -12.300 3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.256 -13.616 3.103 1.00 0.00 H new ATOM 274 N LYS A 18 8.980 -11.964 -0.096 1.00 0.00 N ATOM 275 CA LYS A 18 7.761 -11.437 0.489 1.00 0.00 C ATOM 276 C LYS A 18 6.648 -11.380 -0.535 1.00 0.00 C ATOM 277 O LYS A 18 6.886 -11.341 -1.739 1.00 0.00 O ATOM 278 CB LYS A 18 7.980 -10.043 1.060 1.00 0.00 C ATOM 279 CG LYS A 18 8.230 -8.988 0.000 1.00 0.00 C ATOM 280 CD LYS A 18 9.575 -8.316 0.199 1.00 0.00 C ATOM 281 CE LYS A 18 9.416 -6.900 0.727 1.00 0.00 C ATOM 282 NZ LYS A 18 10.596 -6.468 1.528 1.00 0.00 N ATOM 0 H LYS A 18 9.402 -11.365 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 18 7.477 -12.113 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.107 -9.758 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.829 -10.068 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.193 -9.446 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.438 -8.240 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.176 -8.900 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.116 -8.294 -0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.275 -6.215 -0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.518 -6.841 1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.447 -5.497 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.716 -7.106 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.449 -6.499 0.934 1.00 0.00 H new ATOM 296 N CYS A 19 5.438 -11.359 -0.033 1.00 0.00 N ATOM 297 CA CYS A 19 4.256 -11.290 -0.868 1.00 0.00 C ATOM 298 C CYS A 19 3.406 -10.094 -0.470 1.00 0.00 C ATOM 299 O CYS A 19 3.616 -9.496 0.584 1.00 0.00 O ATOM 300 CB CYS A 19 3.444 -12.585 -0.764 1.00 0.00 C ATOM 301 SG CYS A 19 2.212 -12.806 -2.091 1.00 0.00 S ATOM 0 H CYS A 19 5.241 -11.389 0.967 1.00 0.00 H new ATOM 0 HA CYS A 19 4.569 -11.168 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.130 -13.432 -0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.932 -12.603 0.198 1.00 0.00 H new ATOM 306 N TYR A 20 2.454 -9.746 -1.319 1.00 0.00 N ATOM 307 CA TYR A 20 1.575 -8.616 -1.062 1.00 0.00 C ATOM 308 C TYR A 20 0.126 -9.063 -1.101 1.00 0.00 C ATOM 309 O TYR A 20 -0.292 -9.756 -2.023 1.00 0.00 O ATOM 310 CB TYR A 20 1.776 -7.520 -2.117 1.00 0.00 C ATOM 311 CG TYR A 20 2.958 -6.602 -1.884 1.00 0.00 C ATOM 312 CD1 TYR A 20 3.982 -6.935 -1.006 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.037 -5.387 -2.554 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.053 -6.082 -0.805 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.102 -4.531 -2.358 1.00 0.00 C ATOM 316 CZ TYR A 20 5.107 -4.882 -1.482 1.00 0.00 C ATOM 317 OH TYR A 20 6.170 -4.031 -1.285 1.00 0.00 O ATOM 0 H TYR A 20 2.269 -10.232 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 20 1.819 -8.220 -0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.893 -7.994 -3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.871 -6.914 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.942 -7.873 -0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.251 -5.108 -3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.843 -6.355 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.148 -3.591 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 20 6.055 -3.230 -1.838 1.00 0.00 H new ATOM 327 N TYR A 21 -0.639 -8.649 -0.107 1.00 0.00 N ATOM 328 CA TYR A 21 -2.045 -8.993 -0.043 1.00 0.00 C ATOM 329 C TYR A 21 -2.861 -7.831 -0.591 1.00 0.00 C ATOM 330 O TYR A 21 -2.940 -6.765 0.016 1.00 0.00 O ATOM 331 CB TYR A 21 -2.433 -9.303 1.407 1.00 0.00 C ATOM 332 CG TYR A 21 -3.923 -9.387 1.660 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.790 -9.909 0.708 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.457 -8.947 2.862 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.147 -9.989 0.948 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.811 -9.022 3.111 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.654 -9.545 2.152 1.00 0.00 C ATOM 338 OH TYR A 21 -8.006 -9.624 2.395 1.00 0.00 O ATOM 0 H TYR A 21 -0.308 -8.073 0.667 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.246 -9.880 -0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.975 -10.249 1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.011 -8.534 2.054 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.396 -10.258 -0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.801 -8.538 3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.808 -10.397 0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.210 -8.673 4.052 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.303 -8.812 2.857 1.00 0.00 H new ATOM 348 N PHE A 22 -3.440 -8.047 -1.762 1.00 0.00 N ATOM 349 CA PHE A 22 -4.226 -7.029 -2.436 1.00 0.00 C ATOM 350 C PHE A 22 -5.717 -7.231 -2.174 1.00 0.00 C ATOM 351 O PHE A 22 -6.263 -8.301 -2.447 1.00 0.00 O ATOM 352 CB PHE A 22 -3.922 -7.089 -3.940 1.00 0.00 C ATOM 353 CG PHE A 22 -2.569 -6.529 -4.322 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.674 -6.098 -3.352 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.190 -6.443 -5.656 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.436 -5.592 -3.703 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.949 -5.939 -6.012 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.072 -5.513 -5.031 1.00 0.00 C ATOM 0 H PHE A 22 -3.378 -8.930 -2.269 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.959 -6.046 -2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.980 -8.126 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.695 -6.540 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.948 -6.159 -2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.872 -6.773 -6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.247 -5.258 -2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.667 -5.879 -7.053 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.896 -5.119 -5.304 1.00 0.00 H new ATOM 368 N GLY A 23 -6.367 -6.202 -1.632 1.00 0.00 N ATOM 369 CA GLY A 23 -7.783 -6.299 -1.330 1.00 0.00 C ATOM 370 C GLY A 23 -8.578 -5.097 -1.791 1.00 0.00 C ATOM 371 O GLY A 23 -8.013 -4.107 -2.256 1.00 0.00 O ATOM 0 H GLY A 23 -5.938 -5.307 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.187 -7.195 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.910 -6.419 -0.254 1.00 0.00 H new ATOM 375 N LYS A 24 -9.898 -5.188 -1.657 1.00 0.00 N ATOM 376 CA LYS A 24 -10.791 -4.108 -2.055 1.00 0.00 C ATOM 377 C LYS A 24 -11.934 -3.954 -1.058 1.00 0.00 C ATOM 378 O LYS A 24 -12.322 -4.911 -0.387 1.00 0.00 O ATOM 379 CB LYS A 24 -11.348 -4.366 -3.458 1.00 0.00 C ATOM 380 CG LYS A 24 -12.426 -3.382 -3.882 1.00 0.00 C ATOM 381 CD LYS A 24 -12.537 -3.293 -5.395 1.00 0.00 C ATOM 382 CE LYS A 24 -13.887 -3.790 -5.886 1.00 0.00 C ATOM 383 NZ LYS A 24 -14.486 -2.870 -6.891 1.00 0.00 N ATOM 0 H LYS A 24 -10.374 -6.005 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.217 -3.181 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.529 -4.325 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.756 -5.376 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.385 -3.689 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.201 -2.396 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.392 -2.260 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.743 -3.882 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.771 -4.781 -6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.565 -3.894 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.405 -3.245 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.621 -1.931 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.851 -2.791 -7.711 1.00 0.00 H new ATOM 440 N GLN A 28 -10.543 4.253 5.081 1.00 0.00 N ATOM 441 CA GLN A 28 -9.455 5.180 4.786 1.00 0.00 C ATOM 442 C GLN A 28 -8.095 4.515 4.978 1.00 0.00 C ATOM 443 O GLN A 28 -8.003 3.295 5.118 1.00 0.00 O ATOM 444 CB GLN A 28 -9.560 6.419 5.678 1.00 0.00 C ATOM 445 CG GLN A 28 -10.872 7.170 5.525 1.00 0.00 C ATOM 446 CD GLN A 28 -11.900 6.765 6.562 1.00 0.00 C ATOM 447 OE1 GLN A 28 -13.036 6.427 6.228 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.507 6.799 7.830 1.00 0.00 N ATOM 0 HA GLN A 28 -9.543 5.480 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.443 6.118 6.719 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.736 7.094 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.685 8.241 5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.276 6.989 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.556 7.085 8.062 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.156 6.539 8.572 1.00 0.00 H new ATOM 457 N TRP A 29 -7.041 5.328 4.983 1.00 0.00 N ATOM 458 CA TRP A 29 -5.683 4.823 5.156 1.00 0.00 C ATOM 459 C TRP A 29 -5.521 4.143 6.508 1.00 0.00 C ATOM 460 O TRP A 29 -5.012 3.025 6.596 1.00 0.00 O ATOM 461 CB TRP A 29 -4.669 5.961 5.020 1.00 0.00 C ATOM 462 CG TRP A 29 -3.261 5.540 5.315 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.356 5.029 4.430 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.599 5.587 6.585 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.172 4.756 5.071 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.296 5.090 6.394 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.980 6.002 7.863 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.374 4.998 7.434 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.065 5.909 8.895 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.775 5.411 8.675 1.00 0.00 C ATOM 0 H TRP A 29 -7.102 6.340 4.869 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.498 4.086 4.375 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.716 6.361 4.007 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.948 6.770 5.696 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.543 4.864 3.379 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.337 4.368 4.633 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.972 6.389 8.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.622 4.614 7.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.350 6.226 9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.083 5.352 9.502 1.00 0.00 H new ATOM 481 N VAL A 30 -5.955 4.826 7.559 1.00 0.00 N ATOM 482 CA VAL A 30 -5.860 4.291 8.910 1.00 0.00 C ATOM 483 C VAL A 30 -6.534 2.930 9.001 1.00 0.00 C ATOM 484 O VAL A 30 -6.121 2.071 9.780 1.00 0.00 O ATOM 485 CB VAL A 30 -6.497 5.242 9.941 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.622 6.468 10.150 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.898 5.644 9.504 1.00 0.00 C ATOM 0 H VAL A 30 -6.377 5.753 7.501 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.799 4.187 9.139 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.576 4.716 10.892 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.089 7.128 10.882 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.642 6.158 10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.507 6.998 9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.332 6.316 10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.847 6.151 8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.520 4.754 9.413 1.00 0.00 H new ATOM 497 N HIS A 31 -7.571 2.737 8.196 1.00 0.00 N ATOM 498 CA HIS A 31 -8.293 1.476 8.185 1.00 0.00 C ATOM 499 C HIS A 31 -7.463 0.388 7.517 1.00 0.00 C ATOM 500 O HIS A 31 -7.553 -0.784 7.882 1.00 0.00 O ATOM 501 CB HIS A 31 -9.635 1.631 7.467 1.00 0.00 C ATOM 502 CG HIS A 31 -10.802 1.161 8.278 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.382 -0.079 8.117 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.499 1.774 9.266 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.384 -0.209 8.968 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.476 0.901 9.676 1.00 0.00 N ATOM 0 H HIS A 31 -7.928 3.436 7.545 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.482 1.184 9.218 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.781 2.680 7.208 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.604 1.073 6.531 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.319 2.764 9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.020 -1.076 9.067 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.162 1.081 10.409 1.00 0.00 H new ATOM 515 N ALA A 32 -6.651 0.781 6.539 1.00 0.00 N ATOM 516 CA ALA A 32 -5.808 -0.172 5.833 1.00 0.00 C ATOM 517 C ALA A 32 -4.684 -0.666 6.730 1.00 0.00 C ATOM 518 O ALA A 32 -4.460 -1.869 6.850 1.00 0.00 O ATOM 519 CB ALA A 32 -5.240 0.458 4.571 1.00 0.00 C ATOM 0 H ALA A 32 -6.561 1.746 6.221 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.421 -1.028 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.612 -0.267 4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.057 0.762 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.644 1.331 4.837 1.00 0.00 H new ATOM 525 N ARG A 33 -3.990 0.265 7.373 1.00 0.00 N ATOM 526 CA ARG A 33 -2.899 -0.086 8.270 1.00 0.00 C ATOM 527 C ARG A 33 -3.402 -0.960 9.411 1.00 0.00 C ATOM 528 O ARG A 33 -2.727 -1.900 9.831 1.00 0.00 O ATOM 529 CB ARG A 33 -2.229 1.173 8.827 1.00 0.00 C ATOM 530 CG ARG A 33 -3.203 2.172 9.427 1.00 0.00 C ATOM 531 CD ARG A 33 -3.171 2.136 10.946 1.00 0.00 C ATOM 532 NE ARG A 33 -3.165 3.478 11.523 1.00 0.00 N ATOM 533 CZ ARG A 33 -2.523 3.795 12.643 1.00 0.00 C ATOM 534 NH1 ARG A 33 -1.837 2.872 13.304 1.00 0.00 N ATOM 535 NH2 ARG A 33 -2.565 5.038 13.104 1.00 0.00 N ATOM 0 H ARG A 33 -4.164 1.267 7.290 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.161 -0.649 7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.506 0.882 9.589 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.670 1.660 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.956 3.176 9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.212 1.953 9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.037 1.586 11.314 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.285 1.594 11.278 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.682 4.212 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.801 1.915 12.953 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.346 3.119 14.163 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.090 5.752 12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.072 5.280 13.964 1.00 0.00 H new ATOM 549 N TYR A 34 -4.595 -0.646 9.908 1.00 0.00 N ATOM 550 CA TYR A 34 -5.190 -1.405 10.997 1.00 0.00 C ATOM 551 C TYR A 34 -5.664 -2.771 10.512 1.00 0.00 C ATOM 552 O TYR A 34 -5.712 -3.732 11.279 1.00 0.00 O ATOM 553 CB TYR A 34 -6.361 -0.632 11.607 1.00 0.00 C ATOM 554 CG TYR A 34 -6.538 -0.869 13.091 1.00 0.00 C ATOM 555 CD1 TYR A 34 -7.243 -1.971 13.558 1.00 0.00 C ATOM 556 CD2 TYR A 34 -5.999 0.008 14.023 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.406 -2.192 14.913 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.157 -0.206 15.379 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.862 -1.307 15.818 1.00 0.00 C ATOM 560 OH TYR A 34 -7.022 -1.523 17.168 1.00 0.00 O ATOM 0 H TYR A 34 -5.167 0.129 9.572 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.427 -1.555 11.761 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.211 0.434 11.433 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.279 -0.913 11.091 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.671 -2.666 12.851 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.447 0.872 13.682 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.957 -3.054 15.260 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.731 0.485 16.091 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.577 -0.808 17.669 1.00 0.00 H new ATOM 570 N ALA A 35 -6.015 -2.848 9.231 1.00 0.00 N ATOM 571 CA ALA A 35 -6.488 -4.094 8.645 1.00 0.00 C ATOM 572 C ALA A 35 -5.348 -5.083 8.450 1.00 0.00 C ATOM 573 O ALA A 35 -5.503 -6.279 8.698 1.00 0.00 O ATOM 574 CB ALA A 35 -7.190 -3.824 7.322 1.00 0.00 C ATOM 0 H ALA A 35 -5.980 -2.062 8.582 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.201 -4.540 9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.538 -4.765 6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.042 -3.165 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.494 -3.349 6.631 1.00 0.00 H new ATOM 580 N CYS A 36 -4.201 -4.579 8.015 1.00 0.00 N ATOM 581 CA CYS A 36 -3.037 -5.425 7.800 1.00 0.00 C ATOM 582 C CYS A 36 -2.398 -5.788 9.133 1.00 0.00 C ATOM 583 O CYS A 36 -1.767 -6.837 9.271 1.00 0.00 O ATOM 584 CB CYS A 36 -2.015 -4.722 6.902 1.00 0.00 C ATOM 585 SG CYS A 36 -2.753 -3.663 5.615 1.00 0.00 S ATOM 0 H CYS A 36 -4.053 -3.592 7.805 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.364 -6.338 7.302 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.359 -4.114 7.525 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.391 -5.476 6.422 1.00 0.00 H new ATOM 590 N ASP A 37 -2.573 -4.910 10.115 1.00 0.00 N ATOM 591 CA ASP A 37 -2.023 -5.127 11.447 1.00 0.00 C ATOM 592 C ASP A 37 -2.830 -6.172 12.209 1.00 0.00 C ATOM 593 O ASP A 37 -2.320 -6.820 13.123 1.00 0.00 O ATOM 594 CB ASP A 37 -1.999 -3.813 12.233 1.00 0.00 C ATOM 595 CG ASP A 37 -0.629 -3.509 12.806 1.00 0.00 C ATOM 596 OD1 ASP A 37 0.339 -3.431 12.021 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.525 -3.348 14.040 1.00 0.00 O ATOM 0 H ASP A 37 -3.093 -4.039 10.012 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.003 -5.495 11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.306 -2.996 11.580 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.726 -3.864 13.044 1.00 0.00 H new ATOM 602 N ASP A 38 -4.096 -6.323 11.833 1.00 0.00 N ATOM 603 CA ASP A 38 -4.983 -7.280 12.486 1.00 0.00 C ATOM 604 C ASP A 38 -4.431 -8.699 12.400 1.00 0.00 C ATOM 605 O ASP A 38 -4.522 -9.465 13.360 1.00 0.00 O ATOM 606 CB ASP A 38 -6.376 -7.225 11.857 1.00 0.00 C ATOM 607 CG ASP A 38 -7.402 -6.600 12.782 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.251 -5.407 13.117 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.359 -7.305 13.169 1.00 0.00 O ATOM 0 H ASP A 38 -4.532 -5.794 11.078 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.051 -7.006 13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.331 -6.654 10.930 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.694 -8.234 11.595 1.00 0.00 H new ATOM 614 N MET A 39 -3.860 -9.042 11.250 1.00 0.00 N ATOM 615 CA MET A 39 -3.294 -10.375 11.043 1.00 0.00 C ATOM 616 C MET A 39 -2.700 -10.518 9.644 1.00 0.00 C ATOM 617 O MET A 39 -1.787 -11.316 9.431 1.00 0.00 O ATOM 618 CB MET A 39 -4.364 -11.448 11.257 1.00 0.00 C ATOM 619 CG MET A 39 -5.595 -11.263 10.384 1.00 0.00 C ATOM 620 SD MET A 39 -6.376 -12.827 9.944 1.00 0.00 S ATOM 621 CE MET A 39 -7.593 -12.977 11.249 1.00 0.00 C ATOM 0 H MET A 39 -3.776 -8.419 10.447 1.00 0.00 H new ATOM 0 HA MET A 39 -2.494 -10.509 11.772 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.930 -12.427 11.056 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.667 -11.443 12.304 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.316 -10.636 10.908 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.314 -10.733 9.474 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.159 -13.899 11.114 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.089 -12.998 12.215 1.00 0.00 H new ATOM 0 HE3 MET A 39 -8.272 -12.125 11.213 1.00 0.00 H new ATOM 631 N GLU A 40 -3.230 -9.750 8.693 1.00 0.00 N ATOM 632 CA GLU A 40 -2.760 -9.800 7.312 1.00 0.00 C ATOM 633 C GLU A 40 -1.235 -9.738 7.241 1.00 0.00 C ATOM 634 O GLU A 40 -0.568 -10.772 7.199 1.00 0.00 O ATOM 635 CB GLU A 40 -3.376 -8.658 6.499 1.00 0.00 C ATOM 636 CG GLU A 40 -4.898 -8.643 6.523 1.00 0.00 C ATOM 637 CD GLU A 40 -5.502 -10.026 6.357 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.016 -10.787 5.494 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.461 -10.345 7.090 1.00 0.00 O ATOM 0 H GLU A 40 -3.986 -9.085 8.855 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.077 -10.751 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.006 -7.708 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.038 -8.736 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.238 -8.214 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.263 -7.994 5.727 1.00 0.00 H new ATOM 646 N GLY A 41 -0.684 -8.526 7.223 1.00 0.00 N ATOM 647 CA GLY A 41 0.760 -8.380 7.154 1.00 0.00 C ATOM 648 C GLY A 41 1.259 -7.047 7.677 1.00 0.00 C ATOM 649 O GLY A 41 1.473 -6.878 8.878 1.00 0.00 O ATOM 0 H GLY A 41 -1.206 -7.650 7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.226 -9.183 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.080 -8.498 6.119 1.00 0.00 H new ATOM 653 N GLN A 42 1.469 -6.113 6.763 1.00 0.00 N ATOM 654 CA GLN A 42 1.978 -4.791 7.089 1.00 0.00 C ATOM 655 C GLN A 42 1.534 -3.828 6.016 1.00 0.00 C ATOM 656 O GLN A 42 1.167 -4.255 4.927 1.00 0.00 O ATOM 657 CB GLN A 42 3.506 -4.808 7.152 1.00 0.00 C ATOM 658 CG GLN A 42 4.132 -3.422 7.177 1.00 0.00 C ATOM 659 CD GLN A 42 5.645 -3.462 7.098 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.298 -4.195 7.841 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.210 -2.669 6.195 1.00 0.00 N ATOM 0 H GLN A 42 1.290 -6.252 5.768 1.00 0.00 H new ATOM 0 HA GLN A 42 1.592 -4.484 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.818 -5.354 8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.890 -5.355 6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.744 -2.838 6.343 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.833 -2.909 8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.629 -2.078 5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.225 -2.651 6.096 1.00 0.00 H new ATOM 670 N LEU A 43 1.570 -2.537 6.275 1.00 0.00 N ATOM 671 CA LEU A 43 1.172 -1.632 5.238 1.00 0.00 C ATOM 672 C LEU A 43 2.305 -1.604 4.224 1.00 0.00 C ATOM 673 O LEU A 43 3.421 -1.174 4.513 1.00 0.00 O ATOM 674 CB LEU A 43 0.905 -0.238 5.813 1.00 0.00 C ATOM 675 CG LEU A 43 -0.268 0.527 5.195 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.538 -0.305 5.225 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.480 1.842 5.926 1.00 0.00 C ATOM 0 H LEU A 43 1.858 -2.112 7.156 1.00 0.00 H new ATOM 0 HA LEU A 43 0.245 -1.957 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.726 -0.336 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.807 0.362 5.694 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.027 0.737 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.355 0.262 4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.384 -1.224 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.787 -0.551 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.317 2.377 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.697 1.644 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.422 2.450 5.850 1.00 0.00 H new ATOM 689 N VAL A 44 1.982 -2.131 3.053 1.00 0.00 N ATOM 690 CA VAL A 44 2.908 -2.274 1.934 1.00 0.00 C ATOM 691 C VAL A 44 4.065 -1.290 1.951 1.00 0.00 C ATOM 692 O VAL A 44 5.214 -1.676 2.170 1.00 0.00 O ATOM 693 CB VAL A 44 2.158 -2.148 0.603 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.893 -3.523 0.020 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.857 -1.389 0.800 1.00 0.00 C ATOM 0 H VAL A 44 1.046 -2.480 2.847 1.00 0.00 H new ATOM 0 HA VAL A 44 3.342 -3.268 2.042 1.00 0.00 H new ATOM 0 HB VAL A 44 2.777 -1.589 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.360 -3.421 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.840 -4.034 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.288 -4.103 0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.335 -1.307 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.229 -1.923 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.072 -0.391 1.182 1.00 0.00 H new ATOM 705 N SER A 45 3.762 -0.036 1.683 1.00 0.00 N ATOM 706 CA SER A 45 4.789 1.001 1.627 1.00 0.00 C ATOM 707 C SER A 45 5.755 0.690 0.492 1.00 0.00 C ATOM 708 O SER A 45 6.973 0.654 0.681 1.00 0.00 O ATOM 709 CB SER A 45 5.544 1.088 2.953 1.00 0.00 C ATOM 710 OG SER A 45 5.970 2.414 3.208 1.00 0.00 O ATOM 0 H SER A 45 2.815 0.296 1.500 1.00 0.00 H new ATOM 0 HA SER A 45 4.311 1.964 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.902 0.746 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.407 0.423 2.928 1.00 0.00 H new ATOM 0 HG SER A 45 6.832 2.397 3.673 1.00 0.00 H new ATOM 716 N ILE A 46 5.183 0.441 -0.681 1.00 0.00 N ATOM 717 CA ILE A 46 5.948 0.100 -1.877 1.00 0.00 C ATOM 718 C ILE A 46 7.203 0.951 -2.016 1.00 0.00 C ATOM 719 O ILE A 46 7.171 2.167 -1.824 1.00 0.00 O ATOM 720 CB ILE A 46 5.099 0.240 -3.161 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.804 1.017 -2.884 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.792 -1.133 -3.744 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.686 0.171 -2.307 1.00 0.00 C ATOM 0 H ILE A 46 4.174 0.470 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 46 6.242 -0.943 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 46 5.676 0.806 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.022 1.832 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.459 1.471 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.194 -1.019 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.725 -1.641 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.238 -1.723 -3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.807 0.794 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.437 -0.628 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.009 -0.262 -1.360 1.00 0.00 H new ATOM 735 N HIS A 47 8.309 0.296 -2.357 1.00 0.00 N ATOM 736 CA HIS A 47 9.586 0.976 -2.531 1.00 0.00 C ATOM 737 C HIS A 47 10.199 0.635 -3.883 1.00 0.00 C ATOM 738 O HIS A 47 11.269 1.132 -4.234 1.00 0.00 O ATOM 739 CB HIS A 47 10.551 0.587 -1.410 1.00 0.00 C ATOM 740 CG HIS A 47 10.570 -0.881 -1.118 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.033 -1.821 -2.016 1.00 0.00 N ATOM 742 CD2 HIS A 47 10.180 -1.572 -0.021 1.00 0.00 C ATOM 743 CE1 HIS A 47 10.926 -3.025 -1.483 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.413 -2.902 -0.273 1.00 0.00 N ATOM 0 H HIS A 47 8.345 -0.710 -2.519 1.00 0.00 H new ATOM 0 HA HIS A 47 9.407 2.051 -2.491 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.557 0.908 -1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.277 1.126 -0.503 1.00 0.00 H new ATOM 0 HD1 HIS A 47 11.400 -1.618 -2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.763 -1.155 0.884 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.210 -3.953 -1.957 1.00 0.00 H new ATOM 753 N SER A 48 9.510 -0.211 -4.646 1.00 0.00 N ATOM 754 CA SER A 48 9.985 -0.609 -5.959 1.00 0.00 C ATOM 755 C SER A 48 8.992 -0.178 -7.025 1.00 0.00 C ATOM 756 O SER A 48 7.828 -0.575 -6.989 1.00 0.00 O ATOM 757 CB SER A 48 10.194 -2.124 -6.016 1.00 0.00 C ATOM 758 OG SER A 48 10.904 -2.584 -4.878 1.00 0.00 O ATOM 0 H SER A 48 8.622 -0.631 -4.373 1.00 0.00 H new ATOM 0 HA SER A 48 10.941 -0.120 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.228 -2.626 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.743 -2.385 -6.921 1.00 0.00 H new ATOM 0 HG SER A 48 10.272 -2.943 -4.221 1.00 0.00 H new ATOM 764 N PRO A 49 9.434 0.643 -7.994 1.00 0.00 N ATOM 765 CA PRO A 49 8.566 1.118 -9.069 1.00 0.00 C ATOM 766 C PRO A 49 7.725 -0.008 -9.655 1.00 0.00 C ATOM 767 O PRO A 49 6.612 0.217 -10.129 1.00 0.00 O ATOM 768 CB PRO A 49 9.559 1.656 -10.100 1.00 0.00 C ATOM 769 CG PRO A 49 10.719 2.115 -9.285 1.00 0.00 C ATOM 770 CD PRO A 49 10.808 1.168 -8.118 1.00 0.00 C ATOM 0 HA PRO A 49 7.845 1.862 -8.732 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.852 0.884 -10.811 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.129 2.474 -10.678 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.638 2.099 -9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.575 3.141 -8.945 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.527 0.370 -8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.126 1.680 -7.209 1.00 0.00 H new ATOM 778 N GLU A 50 8.261 -1.224 -9.603 1.00 0.00 N ATOM 779 CA GLU A 50 7.557 -2.393 -10.111 1.00 0.00 C ATOM 780 C GLU A 50 6.420 -2.786 -9.185 1.00 0.00 C ATOM 781 O GLU A 50 5.310 -3.066 -9.635 1.00 0.00 O ATOM 782 CB GLU A 50 8.515 -3.570 -10.269 1.00 0.00 C ATOM 783 CG GLU A 50 7.823 -4.861 -10.660 1.00 0.00 C ATOM 784 CD GLU A 50 8.676 -6.086 -10.393 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.556 -6.390 -11.227 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.465 -6.740 -9.351 1.00 0.00 O ATOM 0 H GLU A 50 9.182 -1.424 -9.213 1.00 0.00 H new ATOM 0 HA GLU A 50 7.144 -2.134 -11.086 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.261 -3.323 -11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.049 -3.722 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.887 -4.948 -10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.567 -4.825 -11.719 1.00 0.00 H new ATOM 793 N GLU A 51 6.707 -2.820 -7.889 1.00 0.00 N ATOM 794 CA GLU A 51 5.709 -3.192 -6.900 1.00 0.00 C ATOM 795 C GLU A 51 4.586 -2.163 -6.854 1.00 0.00 C ATOM 796 O GLU A 51 3.409 -2.519 -6.797 1.00 0.00 O ATOM 797 CB GLU A 51 6.356 -3.343 -5.523 1.00 0.00 C ATOM 798 CG GLU A 51 7.499 -4.343 -5.495 1.00 0.00 C ATOM 799 CD GLU A 51 8.139 -4.460 -4.124 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.513 -3.415 -3.553 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.266 -5.597 -3.623 1.00 0.00 O ATOM 0 H GLU A 51 7.623 -2.594 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 51 5.279 -4.151 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.726 -2.371 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.596 -3.652 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.129 -5.321 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.256 -4.045 -6.221 1.00 0.00 H new ATOM 808 N GLN A 52 4.954 -0.886 -6.893 1.00 0.00 N ATOM 809 CA GLN A 52 3.969 0.188 -6.871 1.00 0.00 C ATOM 810 C GLN A 52 3.137 0.156 -8.148 1.00 0.00 C ATOM 811 O GLN A 52 1.925 0.346 -8.117 1.00 0.00 O ATOM 812 CB GLN A 52 4.657 1.551 -6.701 1.00 0.00 C ATOM 813 CG GLN A 52 5.011 2.239 -8.012 1.00 0.00 C ATOM 814 CD GLN A 52 4.017 3.321 -8.400 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.338 4.220 -9.178 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.803 3.242 -7.862 1.00 0.00 N ATOM 0 H GLN A 52 5.923 -0.571 -6.940 1.00 0.00 H new ATOM 0 HA GLN A 52 3.306 0.040 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.003 2.206 -6.125 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.567 1.416 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.005 2.679 -7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.058 1.494 -8.806 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.578 2.481 -7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.098 3.943 -8.090 1.00 0.00 H new ATOM 825 N ASP A 53 3.803 -0.117 -9.264 1.00 0.00 N ATOM 826 CA ASP A 53 3.141 -0.213 -10.554 1.00 0.00 C ATOM 827 C ASP A 53 2.255 -1.447 -10.581 1.00 0.00 C ATOM 828 O ASP A 53 1.201 -1.461 -11.213 1.00 0.00 O ATOM 829 CB ASP A 53 4.167 -0.277 -11.686 1.00 0.00 C ATOM 830 CG ASP A 53 3.561 0.052 -13.035 1.00 0.00 C ATOM 831 OD1 ASP A 53 3.070 1.188 -13.205 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.578 -0.825 -13.924 1.00 0.00 O ATOM 0 H ASP A 53 4.810 -0.277 -9.298 1.00 0.00 H new ATOM 0 HA ASP A 53 2.528 0.676 -10.700 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.979 0.419 -11.476 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.604 -1.275 -11.721 1.00 0.00 H new ATOM 837 N PHE A 54 2.717 -2.491 -9.903 1.00 0.00 N ATOM 838 CA PHE A 54 2.008 -3.755 -9.843 1.00 0.00 C ATOM 839 C PHE A 54 0.621 -3.584 -9.239 1.00 0.00 C ATOM 840 O PHE A 54 -0.377 -4.008 -9.823 1.00 0.00 O ATOM 841 CB PHE A 54 2.814 -4.728 -8.989 1.00 0.00 C ATOM 842 CG PHE A 54 3.262 -5.950 -9.725 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.407 -7.024 -9.889 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.540 -6.026 -10.249 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.816 -8.154 -10.563 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.960 -7.153 -10.926 1.00 0.00 C ATOM 847 CZ PHE A 54 4.095 -8.221 -11.084 1.00 0.00 C ATOM 0 H PHE A 54 3.593 -2.481 -9.381 1.00 0.00 H new ATOM 0 HA PHE A 54 1.890 -4.138 -10.857 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.689 -4.212 -8.595 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.211 -5.031 -8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.407 -6.977 -9.484 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.217 -5.194 -10.127 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.138 -8.986 -10.684 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.960 -7.201 -11.331 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.418 -9.105 -11.613 1.00 0.00 H new ATOM 857 N LEU A 55 0.564 -2.948 -8.079 1.00 0.00 N ATOM 858 CA LEU A 55 -0.706 -2.706 -7.410 1.00 0.00 C ATOM 859 C LEU A 55 -1.469 -1.603 -8.122 1.00 0.00 C ATOM 860 O LEU A 55 -2.695 -1.628 -8.195 1.00 0.00 O ATOM 861 CB LEU A 55 -0.486 -2.332 -5.951 1.00 0.00 C ATOM 862 CG LEU A 55 0.767 -1.513 -5.688 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.422 -0.037 -5.645 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.424 -1.960 -4.395 1.00 0.00 C ATOM 0 H LEU A 55 1.380 -2.591 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.292 -3.624 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.351 -1.770 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.437 -3.246 -5.359 1.00 0.00 H new ATOM 0 HG LEU A 55 1.477 -1.674 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.326 0.543 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.009 0.264 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.299 0.145 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.320 -1.366 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.728 -1.823 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.696 -3.013 -4.470 1.00 0.00 H new ATOM 876 N THR A 56 -0.725 -0.633 -8.644 1.00 0.00 N ATOM 877 CA THR A 56 -1.316 0.484 -9.359 1.00 0.00 C ATOM 878 C THR A 56 -2.079 -0.034 -10.570 1.00 0.00 C ATOM 879 O THR A 56 -3.184 0.421 -10.867 1.00 0.00 O ATOM 880 CB THR A 56 -0.222 1.477 -9.779 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.383 2.717 -9.117 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.186 1.757 -11.264 1.00 0.00 C ATOM 0 H THR A 56 0.293 -0.602 -8.583 1.00 0.00 H new ATOM 0 HA THR A 56 -2.015 1.008 -8.707 1.00 0.00 H new ATOM 0 HB THR A 56 0.713 0.993 -9.498 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.326 3.333 -9.399 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.612 2.467 -11.481 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.003 0.829 -11.805 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.141 2.178 -11.578 1.00 0.00 H new ATOM 890 N LYS A 57 -1.489 -1.014 -11.242 1.00 0.00 N ATOM 891 CA LYS A 57 -2.111 -1.632 -12.397 1.00 0.00 C ATOM 892 C LYS A 57 -3.225 -2.550 -11.925 1.00 0.00 C ATOM 893 O LYS A 57 -4.265 -2.677 -12.571 1.00 0.00 O ATOM 894 CB LYS A 57 -1.080 -2.423 -13.207 1.00 0.00 C ATOM 895 CG LYS A 57 -0.808 -1.836 -14.583 1.00 0.00 C ATOM 896 CD LYS A 57 0.307 -0.804 -14.537 1.00 0.00 C ATOM 897 CE LYS A 57 -0.230 0.606 -14.718 1.00 0.00 C ATOM 898 NZ LYS A 57 -0.193 1.036 -16.142 1.00 0.00 N ATOM 0 H LYS A 57 -0.575 -1.397 -11.002 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.523 -0.856 -13.043 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.145 -2.465 -12.648 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.430 -3.449 -13.321 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.538 -2.635 -15.274 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.717 -1.375 -14.969 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.831 -0.875 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.036 -1.020 -15.318 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.255 0.654 -14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.357 1.298 -14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.568 2.003 -16.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.788 1.015 -16.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.774 0.391 -16.715 1.00 0.00 H new ATOM 912 N HIS A 58 -2.996 -3.174 -10.772 1.00 0.00 N ATOM 913 CA HIS A 58 -3.975 -4.069 -10.177 1.00 0.00 C ATOM 914 C HIS A 58 -5.218 -3.288 -9.771 1.00 0.00 C ATOM 915 O HIS A 58 -6.332 -3.810 -9.807 1.00 0.00 O ATOM 916 CB HIS A 58 -3.380 -4.771 -8.957 1.00 0.00 C ATOM 917 CG HIS A 58 -3.941 -6.138 -8.722 1.00 0.00 C ATOM 918 ND1 HIS A 58 -3.473 -7.265 -9.363 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.942 -6.557 -7.910 1.00 0.00 C ATOM 920 CE1 HIS A 58 -4.160 -8.317 -8.957 1.00 0.00 C ATOM 921 NE2 HIS A 58 -5.056 -7.916 -8.076 1.00 0.00 N ATOM 0 H HIS A 58 -2.136 -3.073 -10.232 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.253 -4.822 -10.915 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.300 -4.847 -9.082 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.556 -4.158 -8.073 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -2.714 -7.283 -10.045 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.538 -5.939 -7.255 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.013 -9.334 -9.290 1.00 0.00 H new ATOM 983 N GLY A 63 -7.919 2.838 -5.890 1.00 0.00 N ATOM 984 CA GLY A 63 -6.525 2.923 -5.489 1.00 0.00 C ATOM 985 C GLY A 63 -6.196 2.005 -4.328 1.00 0.00 C ATOM 986 O GLY A 63 -7.091 1.452 -3.692 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.890 2.670 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.292 3.951 -5.212 1.00 0.00 H new ATOM 990 N SER A 64 -4.906 1.849 -4.051 1.00 0.00 N ATOM 991 CA SER A 64 -4.453 0.994 -2.959 1.00 0.00 C ATOM 992 C SER A 64 -3.840 1.830 -1.842 1.00 0.00 C ATOM 993 O SER A 64 -3.451 2.977 -2.059 1.00 0.00 O ATOM 994 CB SER A 64 -3.432 -0.024 -3.472 1.00 0.00 C ATOM 995 OG SER A 64 -2.255 -0.013 -2.681 1.00 0.00 O ATOM 0 H SER A 64 -4.154 2.304 -4.568 1.00 0.00 H new ATOM 0 HA SER A 64 -5.316 0.460 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.872 -1.021 -3.461 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.179 0.201 -4.508 1.00 0.00 H new ATOM 0 HG SER A 64 -1.620 -0.673 -3.030 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.741 1.253 -0.649 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.162 1.972 0.481 1.00 0.00 C ATOM 1003 C TRP A 65 -1.764 1.464 0.774 1.00 0.00 C ATOM 1004 O TRP A 65 -1.530 0.258 0.834 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.047 1.847 1.724 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.184 2.824 1.732 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.095 4.185 1.785 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.581 2.514 1.683 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.352 4.741 1.771 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.280 3.736 1.709 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.310 1.325 1.619 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.671 3.799 1.673 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.688 1.389 1.582 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.357 2.618 1.610 1.00 0.00 C ATOM 0 H TRP A 65 -4.049 0.303 -0.440 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.101 3.027 0.213 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.445 0.834 1.780 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.437 2.000 2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.172 4.743 1.831 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.560 5.739 1.802 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.804 0.371 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.189 4.746 1.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.260 0.475 1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.437 2.634 1.581 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.835 2.395 0.935 1.00 0.00 N ATOM 1026 CA ILE A 66 0.549 2.049 1.200 1.00 0.00 C ATOM 1027 C ILE A 66 0.969 2.443 2.608 1.00 0.00 C ATOM 1028 O ILE A 66 0.268 3.182 3.296 1.00 0.00 O ATOM 1029 CB ILE A 66 1.497 2.698 0.178 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.814 4.138 0.577 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.874 2.646 -1.210 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.426 4.955 -0.539 1.00 0.00 C ATOM 0 H ILE A 66 -1.018 3.397 0.886 1.00 0.00 H new ATOM 0 HA ILE A 66 0.621 0.965 1.108 1.00 0.00 H new ATOM 0 HB ILE A 66 2.434 2.141 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.897 4.624 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.497 4.129 1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.550 3.107 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.698 1.608 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.073 3.186 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.624 5.966 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.360 4.493 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.735 4.996 -1.381 1.00 0.00 H new ATOM 1044 N GLY A 67 2.115 1.926 3.021 1.00 0.00 N ATOM 1045 CA GLY A 67 2.634 2.203 4.342 1.00 0.00 C ATOM 1046 C GLY A 67 3.265 3.573 4.459 1.00 0.00 C ATOM 1047 O GLY A 67 4.421 3.698 4.860 1.00 0.00 O ATOM 0 H GLY A 67 2.701 1.312 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.825 2.119 5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.374 1.446 4.601 1.00 0.00 H new ATOM 1051 N LEU A 68 2.506 4.604 4.113 1.00 0.00 N ATOM 1052 CA LEU A 68 3.007 5.971 4.188 1.00 0.00 C ATOM 1053 C LEU A 68 2.116 6.863 5.046 1.00 0.00 C ATOM 1054 O LEU A 68 0.911 6.973 4.817 1.00 0.00 O ATOM 1055 CB LEU A 68 3.130 6.572 2.786 1.00 0.00 C ATOM 1056 CG LEU A 68 4.047 7.797 2.676 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.417 9.011 3.342 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.405 7.502 3.284 1.00 0.00 C ATOM 0 H LEU A 68 1.546 4.522 3.779 1.00 0.00 H new ATOM 0 HA LEU A 68 3.990 5.925 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.498 5.801 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.135 6.851 2.440 1.00 0.00 H new ATOM 0 HG LEU A 68 4.182 8.023 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.087 9.865 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.468 9.240 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.243 8.798 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.042 8.382 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.284 7.244 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.866 6.667 2.757 1.00 0.00 H new ATOM 1070 N ARG A 69 2.743 7.525 6.011 1.00 0.00 N ATOM 1071 CA ARG A 69 2.059 8.453 6.901 1.00 0.00 C ATOM 1072 C ARG A 69 2.941 9.681 7.126 1.00 0.00 C ATOM 1073 O ARG A 69 4.073 9.556 7.593 1.00 0.00 O ATOM 1074 CB ARG A 69 1.730 7.770 8.234 1.00 0.00 C ATOM 1075 CG ARG A 69 1.683 8.718 9.423 1.00 0.00 C ATOM 1076 CD ARG A 69 1.819 7.968 10.738 1.00 0.00 C ATOM 1077 NE ARG A 69 0.900 8.476 11.754 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.100 9.601 12.434 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.184 10.332 12.209 1.00 0.00 N ATOM 1080 NH2 ARG A 69 0.216 9.995 13.340 1.00 0.00 N ATOM 0 H ARG A 69 3.741 7.433 6.198 1.00 0.00 H new ATOM 0 HA ARG A 69 1.121 8.768 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.766 7.268 8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.475 6.998 8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.484 9.452 9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.743 9.270 9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.627 6.908 10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.844 8.054 11.100 1.00 0.00 H new ATOM 0 HE ARG A 69 0.057 7.937 11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.866 10.031 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.335 11.195 12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.618 9.435 13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.370 10.858 13.861 1.00 0.00 H new ATOM 1094 N ASN A 70 2.434 10.863 6.791 1.00 0.00 N ATOM 1095 CA ASN A 70 3.210 12.088 6.962 1.00 0.00 C ATOM 1096 C ASN A 70 3.090 12.619 8.386 1.00 0.00 C ATOM 1097 O ASN A 70 2.109 12.354 9.082 1.00 0.00 O ATOM 1098 CB ASN A 70 2.765 13.152 5.957 1.00 0.00 C ATOM 1099 CG ASN A 70 2.298 14.429 6.627 1.00 0.00 C ATOM 1100 OD1 ASN A 70 1.155 14.530 7.070 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.186 15.413 6.708 1.00 0.00 N ATOM 0 H ASN A 70 1.500 10.999 6.404 1.00 0.00 H new ATOM 0 HA ASN A 70 4.257 11.850 6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.592 13.380 5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.958 12.752 5.344 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.930 16.295 7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.124 15.286 6.327 1.00 0.00 H new ATOM 1202 N PHE A 77 7.232 12.661 4.996 1.00 0.00 N ATOM 1203 CA PHE A 77 6.486 11.414 4.891 1.00 0.00 C ATOM 1204 C PHE A 77 7.275 10.262 5.500 1.00 0.00 C ATOM 1205 O PHE A 77 8.386 9.956 5.066 1.00 0.00 O ATOM 1206 CB PHE A 77 6.142 11.097 3.427 1.00 0.00 C ATOM 1207 CG PHE A 77 5.564 12.253 2.643 1.00 0.00 C ATOM 1208 CD1 PHE A 77 5.312 13.480 3.244 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.278 12.106 1.295 1.00 0.00 C ATOM 1210 CE1 PHE A 77 4.793 14.533 2.517 1.00 0.00 C ATOM 1211 CE2 PHE A 77 4.756 13.158 0.565 1.00 0.00 C ATOM 1212 CZ PHE A 77 4.516 14.371 1.176 1.00 0.00 C ATOM 0 HA PHE A 77 5.556 11.537 5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.045 10.751 2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.430 10.272 3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.525 13.612 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.465 11.160 0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.604 15.482 2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.536 13.030 -0.485 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.111 15.193 0.605 1.00 0.00 H new ATOM 1222 N ILE A 78 6.690 9.633 6.507 1.00 0.00 N ATOM 1223 CA ILE A 78 7.319 8.515 7.189 1.00 0.00 C ATOM 1224 C ILE A 78 6.492 7.248 7.010 1.00 0.00 C ATOM 1225 O ILE A 78 5.266 7.289 7.038 1.00 0.00 O ATOM 1226 CB ILE A 78 7.504 8.815 8.692 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.962 9.222 8.962 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.079 7.624 9.545 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.709 8.310 9.917 1.00 0.00 C ATOM 0 H ILE A 78 5.771 9.882 6.872 1.00 0.00 H new ATOM 0 HA ILE A 78 8.303 8.363 6.745 1.00 0.00 H new ATOM 0 HB ILE A 78 6.859 9.648 8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.499 9.250 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.973 10.235 9.365 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.220 7.863 10.599 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.028 7.401 9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.685 6.756 9.286 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.728 8.675 10.047 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.202 8.299 10.882 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.735 7.299 9.510 1.00 0.00 H new ATOM 1241 N TRP A 79 7.171 6.124 6.825 1.00 0.00 N ATOM 1242 CA TRP A 79 6.488 4.852 6.638 1.00 0.00 C ATOM 1243 C TRP A 79 5.926 4.346 7.961 1.00 0.00 C ATOM 1244 O TRP A 79 6.459 4.646 9.028 1.00 0.00 O ATOM 1245 CB TRP A 79 7.444 3.804 6.057 1.00 0.00 C ATOM 1246 CG TRP A 79 7.951 4.130 4.681 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.734 5.276 3.971 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.770 3.295 3.853 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.363 5.202 2.752 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.006 3.996 2.655 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.326 2.021 4.007 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.772 3.468 1.620 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.086 1.497 2.977 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.303 2.220 1.798 1.00 0.00 C ATOM 0 H TRP A 79 8.189 6.067 6.800 1.00 0.00 H new ATOM 0 HA TRP A 79 5.668 5.013 5.938 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.295 3.693 6.729 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.934 2.841 6.026 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.153 6.118 4.317 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.353 5.927 2.035 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.165 1.457 4.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.941 4.023 0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.519 0.514 3.084 1.00 0.00 H new ATOM 0 HH2 TRP A 79 10.902 1.783 1.013 1.00 0.00 H new ATOM 1265 N VAL A 80 4.845 3.578 7.880 1.00 0.00 N ATOM 1266 CA VAL A 80 4.207 3.020 9.067 1.00 0.00 C ATOM 1267 C VAL A 80 5.190 2.143 9.839 1.00 0.00 C ATOM 1268 O VAL A 80 5.070 1.970 11.053 1.00 0.00 O ATOM 1269 CB VAL A 80 2.961 2.192 8.687 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.198 1.454 7.385 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.577 1.224 9.798 1.00 0.00 C ATOM 0 H VAL A 80 4.391 3.327 7.002 1.00 0.00 H new ATOM 0 HA VAL A 80 3.894 3.851 9.700 1.00 0.00 H new ATOM 0 HB VAL A 80 2.126 2.880 8.550 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.311 0.874 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.403 2.173 6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.050 0.784 7.497 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.696 0.657 9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.404 0.538 9.985 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.356 1.783 10.707 1.00 0.00 H new ATOM 1281 N ASP A 81 6.167 1.600 9.123 1.00 0.00 N ATOM 1282 CA ASP A 81 7.180 0.744 9.730 1.00 0.00 C ATOM 1283 C ASP A 81 8.215 1.580 10.473 1.00 0.00 C ATOM 1284 O ASP A 81 9.104 1.044 11.136 1.00 0.00 O ATOM 1285 CB ASP A 81 7.867 -0.104 8.659 1.00 0.00 C ATOM 1286 CG ASP A 81 8.564 -1.318 9.240 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.901 -2.099 9.953 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.775 -1.487 8.982 1.00 0.00 O ATOM 0 H ASP A 81 6.280 1.737 8.119 1.00 0.00 H new ATOM 0 HA ASP A 81 6.687 0.084 10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.127 -0.429 7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.594 0.508 8.126 1.00 0.00 H new ATOM 1293 N GLY A 82 8.086 2.896 10.362 1.00 0.00 N ATOM 1294 CA GLY A 82 9.005 3.794 11.028 1.00 0.00 C ATOM 1295 C GLY A 82 10.256 4.068 10.215 1.00 0.00 C ATOM 1296 O GLY A 82 11.359 4.103 10.760 1.00 0.00 O ATOM 0 H GLY A 82 7.356 3.358 9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.498 4.737 11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.289 3.367 11.990 1.00 0.00 H new ATOM 1300 N SER A 83 10.088 4.264 8.910 1.00 0.00 N ATOM 1301 CA SER A 83 11.220 4.536 8.031 1.00 0.00 C ATOM 1302 C SER A 83 10.881 5.620 7.012 1.00 0.00 C ATOM 1303 O SER A 83 9.917 5.497 6.262 1.00 0.00 O ATOM 1304 CB SER A 83 11.651 3.258 7.308 1.00 0.00 C ATOM 1305 OG SER A 83 12.989 2.919 7.625 1.00 0.00 O ATOM 0 H SER A 83 9.183 4.240 8.440 1.00 0.00 H new ATOM 0 HA SER A 83 12.044 4.894 8.649 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.989 2.438 7.587 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.553 3.395 6.231 1.00 0.00 H new ATOM 0 HG SER A 83 13.239 2.098 7.152 1.00 0.00 H new ATOM 1311 N HIS A 84 11.682 6.681 6.989 1.00 0.00 N ATOM 1312 CA HIS A 84 11.468 7.784 6.061 1.00 0.00 C ATOM 1313 C HIS A 84 11.477 7.293 4.616 1.00 0.00 C ATOM 1314 O HIS A 84 12.152 6.318 4.283 1.00 0.00 O ATOM 1315 CB HIS A 84 12.542 8.855 6.256 1.00 0.00 C ATOM 1316 CG HIS A 84 13.908 8.298 6.513 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.672 7.699 5.534 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.647 8.252 7.646 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.823 7.307 6.054 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.832 7.632 7.334 1.00 0.00 N ATOM 0 H HIS A 84 12.487 6.799 7.604 1.00 0.00 H new ATOM 0 HA HIS A 84 10.490 8.217 6.270 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.578 9.487 5.368 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.257 9.495 7.091 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.359 8.632 8.615 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.619 6.807 5.523 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.596 7.452 7.986 1.00 0.00 H new ATOM 1329 N VAL A 85 10.720 7.978 3.765 1.00 0.00 N ATOM 1330 CA VAL A 85 10.629 7.623 2.353 1.00 0.00 C ATOM 1331 C VAL A 85 12.008 7.591 1.699 1.00 0.00 C ATOM 1332 O VAL A 85 12.943 8.242 2.167 1.00 0.00 O ATOM 1333 CB VAL A 85 9.727 8.614 1.590 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.538 8.170 0.149 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.384 8.753 2.287 1.00 0.00 C ATOM 0 H VAL A 85 10.158 8.787 4.031 1.00 0.00 H new ATOM 0 HA VAL A 85 10.190 6.626 2.301 1.00 0.00 H new ATOM 0 HB VAL A 85 10.216 9.588 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.898 8.883 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.507 8.123 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.072 7.185 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.759 9.456 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.891 7.781 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.537 9.121 3.301 1.00 0.00 H new ATOM 1345 N ASP A 86 12.128 6.825 0.617 1.00 0.00 N ATOM 1346 CA ASP A 86 13.396 6.703 -0.097 1.00 0.00 C ATOM 1347 C ASP A 86 13.227 6.993 -1.586 1.00 0.00 C ATOM 1348 O ASP A 86 14.097 7.605 -2.208 1.00 0.00 O ATOM 1349 CB ASP A 86 13.976 5.301 0.096 1.00 0.00 C ATOM 1350 CG ASP A 86 14.164 4.949 1.558 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.908 5.672 2.252 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.566 3.948 2.009 1.00 0.00 O ATOM 0 H ASP A 86 11.364 6.281 0.216 1.00 0.00 H new ATOM 0 HA ASP A 86 14.084 7.441 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.314 4.570 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.935 5.234 -0.417 1.00 0.00 H new ATOM 1357 N TYR A 87 12.114 6.543 -2.158 1.00 0.00 N ATOM 1358 CA TYR A 87 11.849 6.750 -3.579 1.00 0.00 C ATOM 1359 C TYR A 87 10.688 7.714 -3.794 1.00 0.00 C ATOM 1360 O TYR A 87 10.783 8.641 -4.602 1.00 0.00 O ATOM 1361 CB TYR A 87 11.554 5.413 -4.265 1.00 0.00 C ATOM 1362 CG TYR A 87 12.556 4.329 -3.935 1.00 0.00 C ATOM 1363 CD1 TYR A 87 12.438 3.578 -2.772 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.619 4.056 -4.787 1.00 0.00 C ATOM 1365 CE1 TYR A 87 13.353 2.587 -2.467 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.536 3.066 -4.489 1.00 0.00 C ATOM 1367 CZ TYR A 87 14.399 2.335 -3.328 1.00 0.00 C ATOM 1368 OH TYR A 87 15.311 1.350 -3.028 1.00 0.00 O ATOM 0 H TYR A 87 11.383 6.034 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 87 12.741 7.192 -4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 87 10.559 5.077 -3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.537 5.564 -5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 87 11.619 3.771 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.730 4.627 -5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.248 2.013 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.356 2.866 -5.162 1.00 0.00 H new ATOM 0 HH TYR A 87 15.984 1.300 -3.738 1.00 0.00 H new ATOM 1378 N SER A 88 9.596 7.489 -3.069 1.00 0.00 N ATOM 1379 CA SER A 88 8.401 8.329 -3.170 1.00 0.00 C ATOM 1380 C SER A 88 7.833 8.315 -4.588 1.00 0.00 C ATOM 1381 O SER A 88 8.553 8.068 -5.555 1.00 0.00 O ATOM 1382 CB SER A 88 8.705 9.767 -2.746 1.00 0.00 C ATOM 1383 OG SER A 88 10.075 9.938 -2.425 1.00 0.00 O ATOM 0 H SER A 88 9.512 6.725 -2.398 1.00 0.00 H new ATOM 0 HA SER A 88 7.654 7.914 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.431 10.450 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.093 10.030 -1.883 1.00 0.00 H new ATOM 0 HG SER A 88 10.235 10.868 -2.160 1.00 0.00 H new ATOM 1389 N ASN A 89 6.533 8.572 -4.707 1.00 0.00 N ATOM 1390 CA ASN A 89 5.880 8.576 -6.011 1.00 0.00 C ATOM 1391 C ASN A 89 4.851 9.701 -6.144 1.00 0.00 C ATOM 1392 O ASN A 89 4.378 9.965 -7.249 1.00 0.00 O ATOM 1393 CB ASN A 89 5.195 7.231 -6.257 1.00 0.00 C ATOM 1394 CG ASN A 89 6.159 6.129 -6.646 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.298 6.387 -7.035 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.697 4.888 -6.545 1.00 0.00 N ATOM 0 H ASN A 89 5.916 8.779 -3.922 1.00 0.00 H new ATOM 0 HA ASN A 89 6.656 8.746 -6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.659 6.934 -5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.452 7.349 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.294 4.100 -6.795 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.745 4.723 -6.217 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.448 11.140 4.387 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.262 9.779 3.903 1.00 0.00 C ATOM 1600 C CYS A 104 -1.121 9.778 2.389 1.00 0.00 C ATOM 1601 O CYS A 104 -1.647 10.653 1.705 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.436 8.887 4.317 1.00 0.00 C ATOM 1603 SG CYS A 104 -2.857 8.977 6.089 1.00 0.00 S ATOM 0 HA CYS A 104 -0.351 9.380 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.313 9.166 3.732 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.199 7.854 4.064 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.866 7.779 6.594 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.407 8.795 1.867 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.204 8.695 0.436 1.00 0.00 C ATOM 1610 C VAL A 105 -1.127 7.648 -0.173 1.00 0.00 C ATOM 1611 O VAL A 105 -1.321 6.568 0.384 1.00 0.00 O ATOM 1612 CB VAL A 105 1.259 8.365 0.092 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.387 7.936 -1.358 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.148 9.567 0.363 1.00 0.00 C ATOM 0 H VAL A 105 0.040 8.058 2.413 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.443 9.669 0.010 1.00 0.00 H new ATOM 0 HB VAL A 105 1.581 7.538 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.430 7.708 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.777 7.049 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.047 8.743 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.180 9.319 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.820 10.408 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.083 9.838 1.417 1.00 0.00 H new ATOM 1624 N MET A 106 -1.691 7.988 -1.321 1.00 0.00 N ATOM 1625 CA MET A 106 -2.599 7.108 -2.032 1.00 0.00 C ATOM 1626 C MET A 106 -2.030 6.758 -3.399 1.00 0.00 C ATOM 1627 O MET A 106 -1.056 7.355 -3.843 1.00 0.00 O ATOM 1628 CB MET A 106 -3.971 7.769 -2.185 1.00 0.00 C ATOM 1629 CG MET A 106 -3.976 8.956 -3.135 1.00 0.00 C ATOM 1630 SD MET A 106 -5.641 9.528 -3.523 1.00 0.00 S ATOM 1631 CE MET A 106 -6.102 8.375 -4.814 1.00 0.00 C ATOM 0 H MET A 106 -1.531 8.882 -1.785 1.00 0.00 H new ATOM 0 HA MET A 106 -2.716 6.191 -1.455 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.684 7.026 -2.542 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.317 8.098 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.409 9.774 -2.691 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.467 8.680 -4.058 1.00 0.00 H new ATOM 0 HE1 MET A 106 -7.178 8.205 -4.783 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.827 8.787 -5.785 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.581 7.430 -4.661 1.00 0.00 H new ATOM 1641 N MET A 107 -2.635 5.784 -4.055 1.00 0.00 N ATOM 1642 CA MET A 107 -2.180 5.358 -5.369 1.00 0.00 C ATOM 1643 C MET A 107 -3.328 5.429 -6.373 1.00 0.00 C ATOM 1644 O MET A 107 -4.411 4.904 -6.119 1.00 0.00 O ATOM 1645 CB MET A 107 -1.623 3.933 -5.281 1.00 0.00 C ATOM 1646 CG MET A 107 -1.685 3.159 -6.583 1.00 0.00 C ATOM 1647 SD MET A 107 -3.229 2.249 -6.786 1.00 0.00 S ATOM 1648 CE MET A 107 -3.733 2.800 -8.414 1.00 0.00 C ATOM 0 H MET A 107 -3.443 5.272 -3.700 1.00 0.00 H new ATOM 0 HA MET A 107 -1.388 6.024 -5.711 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.586 3.980 -4.949 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.177 3.385 -4.519 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.564 3.850 -7.417 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.849 2.460 -6.625 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.180 1.968 -8.958 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.463 3.603 -8.316 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.863 3.165 -8.960 1.00 0.00 H new ATOM 1707 N ARG A 112 0.944 5.998 -10.494 1.00 0.00 N ATOM 1708 CA ARG A 112 1.831 6.232 -9.364 1.00 0.00 C ATOM 1709 C ARG A 112 1.042 6.569 -8.098 1.00 0.00 C ATOM 1710 O ARG A 112 -0.088 6.116 -7.918 1.00 0.00 O ATOM 1711 CB ARG A 112 2.818 7.357 -9.694 1.00 0.00 C ATOM 1712 CG ARG A 112 2.162 8.708 -9.944 1.00 0.00 C ATOM 1713 CD ARG A 112 1.541 8.784 -11.329 1.00 0.00 C ATOM 1714 NE ARG A 112 2.525 9.132 -12.352 1.00 0.00 N ATOM 1715 CZ ARG A 112 2.772 10.378 -12.745 1.00 0.00 C ATOM 1716 NH1 ARG A 112 2.110 11.392 -12.204 1.00 0.00 N ATOM 1717 NH2 ARG A 112 3.683 10.611 -13.681 1.00 0.00 N ATOM 0 HA ARG A 112 2.388 5.314 -9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.527 7.456 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.391 7.075 -10.577 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.394 8.885 -9.191 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.904 9.499 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.086 7.825 -11.575 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.742 9.525 -11.328 1.00 0.00 H new ATOM 0 HE ARG A 112 3.052 8.376 -12.789 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.409 11.217 -11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.302 12.347 -12.508 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.194 9.834 -14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.872 11.567 -13.982 1.00 0.00 H new ATOM 1731 N TRP A 113 1.651 7.369 -7.227 1.00 0.00 N ATOM 1732 CA TRP A 113 1.032 7.780 -5.978 1.00 0.00 C ATOM 1733 C TRP A 113 0.635 9.237 -6.019 1.00 0.00 C ATOM 1734 O TRP A 113 1.164 10.020 -6.801 1.00 0.00 O ATOM 1735 CB TRP A 113 1.983 7.668 -4.793 1.00 0.00 C ATOM 1736 CG TRP A 113 2.622 6.344 -4.559 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.399 5.159 -5.198 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.622 6.097 -3.579 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.216 4.186 -4.665 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.973 4.742 -3.663 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.251 6.913 -2.636 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.937 4.175 -2.830 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.208 6.352 -1.810 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.542 4.993 -1.911 1.00 0.00 C ATOM 0 H TRP A 113 2.587 7.748 -7.370 1.00 0.00 H new ATOM 0 HA TRP A 113 0.174 7.118 -5.860 1.00 0.00 H new ATOM 0 HB2 TRP A 113 2.774 8.407 -4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.435 7.943 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.691 5.007 -5.999 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.253 3.212 -4.965 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.996 7.959 -2.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.198 3.130 -2.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.706 6.969 -1.076 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.292 4.583 -1.251 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.238 9.598 -5.102 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.645 10.971 -4.941 1.00 0.00 C ATOM 1757 C ASN A 114 -0.737 11.263 -3.449 1.00 0.00 C ATOM 1758 O ASN A 114 -1.506 10.630 -2.727 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.994 11.222 -5.619 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.861 11.400 -7.118 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.769 10.426 -7.865 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.852 12.650 -7.568 1.00 0.00 N ATOM 0 H ASN A 114 -0.681 8.949 -4.452 1.00 0.00 H new ATOM 0 HA ASN A 114 0.084 11.631 -5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.663 10.386 -5.413 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.454 12.112 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.766 12.831 -8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.931 13.428 -6.913 1.00 0.00 H new ATOM 1769 N ASP A 115 0.061 12.215 -2.994 1.00 0.00 N ATOM 1770 CA ASP A 115 0.085 12.587 -1.588 1.00 0.00 C ATOM 1771 C ASP A 115 -1.063 13.536 -1.251 1.00 0.00 C ATOM 1772 O ASP A 115 -1.124 14.654 -1.763 1.00 0.00 O ATOM 1773 CB ASP A 115 1.428 13.232 -1.254 1.00 0.00 C ATOM 1774 CG ASP A 115 1.594 13.469 0.233 1.00 0.00 C ATOM 1775 OD1 ASP A 115 1.728 12.480 0.982 1.00 0.00 O ATOM 1776 OD2 ASP A 115 1.589 14.647 0.649 1.00 0.00 O ATOM 0 H ASP A 115 0.704 12.747 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.042 11.687 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.235 12.592 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.515 14.181 -1.784 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.975 13.081 -0.392 1.00 0.00 N ATOM 1782 CA ALA A 116 -3.120 13.887 0.005 1.00 0.00 C ATOM 1783 C ALA A 116 -3.684 13.424 1.343 1.00 0.00 C ATOM 1784 O ALA A 116 -3.432 12.304 1.780 1.00 0.00 O ATOM 1785 CB ALA A 116 -4.196 13.832 -1.064 1.00 0.00 C ATOM 0 H ALA A 116 -1.940 12.158 0.040 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.783 14.917 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -5.047 14.439 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.797 14.218 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.518 12.800 -1.204 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.568 6.345 -1.904 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.347 5.110 -2.651 1.00 0.00 C ATOM 1881 C LEU A 122 -10.465 4.104 -2.401 1.00 0.00 C ATOM 1882 O LEU A 122 -11.543 4.464 -1.930 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.001 4.496 -2.271 1.00 0.00 C ATOM 1884 CG LEU A 122 -6.820 5.463 -2.304 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.638 6.130 -0.952 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.553 4.735 -2.714 1.00 0.00 C ATOM 0 HA LEU A 122 -9.343 5.358 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.080 4.076 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.792 3.667 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.028 6.238 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.792 6.815 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.541 6.684 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.451 5.370 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.720 5.437 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.342 3.941 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.686 4.303 -3.706 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.198 2.840 -2.722 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.191 1.802 -2.526 1.00 0.00 C ATOM 1900 C GLY A 123 -10.588 0.410 -2.464 1.00 0.00 C ATOM 1901 O GLY A 123 -11.304 -0.584 -2.581 1.00 0.00 O ATOM 0 H GLY A 123 -9.313 2.519 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.736 1.998 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.916 1.842 -3.339 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.272 0.332 -2.274 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.592 -0.953 -2.191 1.00 0.00 C ATOM 1907 C ALA A 124 -7.544 -0.942 -1.091 1.00 0.00 C ATOM 1908 O ALA A 124 -6.783 0.017 -0.959 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.965 -1.315 -3.529 1.00 0.00 C ATOM 0 H ALA A 124 -8.660 1.142 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.333 -1.713 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.462 -2.278 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.742 -1.376 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.241 -0.550 -3.810 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.503 -2.013 -0.304 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.540 -2.110 0.782 1.00 0.00 C ATOM 1917 C TRP A 125 -5.448 -3.113 0.446 1.00 0.00 C ATOM 1918 O TRP A 125 -5.709 -4.301 0.260 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.226 -2.473 2.108 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.097 -3.695 2.054 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.104 -3.955 1.168 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -8.051 -4.814 2.946 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.677 -5.172 1.448 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -9.049 -5.719 2.536 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -7.258 -5.143 4.050 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -9.275 -6.926 3.191 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -7.484 -6.341 4.700 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -8.485 -7.221 4.268 1.00 0.00 C ATOM 0 H TRP A 125 -8.121 -2.819 -0.398 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.079 -1.130 0.905 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.459 -2.624 2.868 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.832 -1.626 2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.406 -3.299 0.365 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.445 -5.599 0.930 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -6.482 -4.472 4.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -10.047 -7.606 2.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -6.879 -6.604 5.555 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -8.636 -8.151 4.796 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.222 -2.613 0.360 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.075 -3.439 0.034 1.00 0.00 C ATOM 1941 C VAL A 126 -2.134 -3.549 1.237 1.00 0.00 C ATOM 1942 O VAL A 126 -1.890 -2.570 1.942 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.321 -2.860 -1.182 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.885 -3.321 -1.203 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.000 -3.251 -2.477 1.00 0.00 C ATOM 0 H VAL A 126 -3.999 -1.630 0.514 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.432 -4.437 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.338 -1.774 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.379 -2.897 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.383 -2.990 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.853 -4.409 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.449 -2.830 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.021 -4.337 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.020 -2.867 -2.483 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.632 -4.756 1.467 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.736 -5.037 2.587 1.00 0.00 C ATOM 1957 C CYS A 127 0.396 -5.952 2.149 1.00 0.00 C ATOM 1958 O CYS A 127 0.336 -6.549 1.082 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.497 -5.683 3.746 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.124 -4.937 4.081 1.00 0.00 S ATOM 0 H CYS A 127 -1.833 -5.569 0.884 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.319 -4.088 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.634 -6.743 3.530 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.887 -5.617 4.647 1.00 0.00 H new ATOM 1965 N ASP A 128 1.431 -6.053 2.970 1.00 0.00 N ATOM 1966 CA ASP A 128 2.561 -6.901 2.653 1.00 0.00 C ATOM 1967 C ASP A 128 2.838 -7.868 3.796 1.00 0.00 C ATOM 1968 O ASP A 128 2.679 -7.530 4.967 1.00 0.00 O ATOM 1969 CB ASP A 128 3.800 -6.057 2.374 1.00 0.00 C ATOM 1970 CG ASP A 128 4.346 -5.397 3.625 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.794 -4.354 4.035 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.325 -5.923 4.195 1.00 0.00 O ATOM 0 H ASP A 128 1.508 -5.558 3.858 1.00 0.00 H new ATOM 0 HA ASP A 128 2.318 -7.474 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.573 -6.686 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.555 -5.290 1.639 1.00 0.00 H new ATOM 1977 N ARG A 129 3.257 -9.070 3.438 1.00 0.00 N ATOM 1978 CA ARG A 129 3.565 -10.105 4.413 1.00 0.00 C ATOM 1979 C ARG A 129 4.534 -11.111 3.814 1.00 0.00 C ATOM 1980 O ARG A 129 4.769 -11.104 2.609 1.00 0.00 O ATOM 1981 CB ARG A 129 2.283 -10.811 4.863 1.00 0.00 C ATOM 1982 CG ARG A 129 2.421 -11.540 6.190 1.00 0.00 C ATOM 1983 CD ARG A 129 1.795 -12.925 6.131 1.00 0.00 C ATOM 1984 NE ARG A 129 2.654 -13.940 6.733 1.00 0.00 N ATOM 1985 CZ ARG A 129 2.199 -14.956 7.460 1.00 0.00 C ATOM 1986 NH1 ARG A 129 0.897 -15.091 7.675 1.00 0.00 N ATOM 1987 NH2 ARG A 129 3.046 -15.838 7.974 1.00 0.00 N ATOM 0 H ARG A 129 3.393 -9.356 2.468 1.00 0.00 H new ATOM 0 HA ARG A 129 4.029 -9.640 5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.483 -10.075 4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.983 -11.525 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.476 -11.627 6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.944 -10.957 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.835 -12.911 6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.596 -13.189 5.092 1.00 0.00 H new ATOM 0 HE ARG A 129 3.661 -13.866 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.242 -14.415 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.550 -15.871 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.048 -15.737 7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.695 -16.617 8.532 1.00 0.00 H new ATOM 2001 N LEU A 130 5.092 -11.975 4.648 1.00 0.00 N ATOM 2002 CA LEU A 130 6.029 -12.978 4.172 1.00 0.00 C ATOM 2003 C LEU A 130 5.292 -14.198 3.629 1.00 0.00 C ATOM 2004 O LEU A 130 4.281 -14.625 4.186 1.00 0.00 O ATOM 2005 CB LEU A 130 6.990 -13.382 5.292 1.00 0.00 C ATOM 2006 CG LEU A 130 8.201 -12.458 5.489 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.485 -13.180 5.107 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.055 -11.171 4.679 1.00 0.00 C ATOM 0 H LEU A 130 4.913 -12.001 5.652 1.00 0.00 H new ATOM 0 HA LEU A 130 6.609 -12.545 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.432 -13.426 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.353 -14.390 5.090 1.00 0.00 H new ATOM 0 HG LEU A 130 8.248 -12.187 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.335 -12.513 5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.606 -14.063 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.435 -13.482 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 130 8.928 -10.539 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.974 -11.415 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.158 -10.640 4.998 1.00 0.00 H new ATOM 2020 N ALA A 131 5.804 -14.745 2.527 1.00 0.00 N ATOM 2021 CA ALA A 131 5.200 -15.909 1.887 1.00 0.00 C ATOM 2022 C ALA A 131 4.877 -17.003 2.898 1.00 0.00 C ATOM 2023 O ALA A 131 5.500 -17.092 3.957 1.00 0.00 O ATOM 2024 CB ALA A 131 6.121 -16.449 0.804 1.00 0.00 C ATOM 0 H ALA A 131 6.640 -14.397 2.058 1.00 0.00 H new ATOM 0 HA ALA A 131 4.262 -15.589 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.660 -17.317 0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.291 -15.677 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.073 -16.740 1.248 1.00 0.00 H new