USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 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= -3.29 X(o=-4.9,f=-4.5!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.407 USER MOD Set 1.3: A 107 MET CE :methyl 146:sc= -1.25 (180deg=-2.72!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -169:sc= 0.469 (180deg=0) USER MOD Set 2.2: A 47 HIS : no HE2:sc= 0.419 K(o=0.89,f=-2.2) USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.17 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.34 K(o=-2.3,f=-0.53) USER MOD Single : A 16 GLN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -146:sc= 1.84 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00604 K(o=-0.006,f=-0.74) 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) USER MOD Single : A 45 SER OG : rot -137:sc= 1.18 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.01! C(o=-3!,f=-6.1!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0926 USER MOD Single : A 70 ASN : amide:sc= -0.344 K(o=-0.34,f=-0.95) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -0.245 X(o=-0.25,f=-0.58) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.996 USER MOD Single : A 89 ASN : amide:sc= -2.64 K(o=-2.6,f=-1.9) USER MOD Single : A 104 CYS SG : rot -123:sc= 1.26 USER MOD Single : A 106 MET CE :methyl -118:sc= -1.13 (180deg=-2.08) USER MOD Single : A 114 ASN : amide:sc= -1.25! K(o=-1.3!,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.354 -18.812 -1.960 1.00 0.00 N ATOM 82 CA THR A 7 0.176 -18.122 -1.448 1.00 0.00 C ATOM 83 C THR A 7 -0.103 -16.854 -2.248 1.00 0.00 C ATOM 84 O THR A 7 -0.940 -16.038 -1.861 1.00 0.00 O ATOM 85 CB THR A 7 0.367 -17.772 0.031 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.881 -17.509 0.648 1.00 0.00 O ATOM 87 CG2 THR A 7 1.253 -16.564 0.255 1.00 0.00 C ATOM 0 HA THR A 7 -0.679 -18.791 -1.550 1.00 0.00 H new ATOM 0 HB THR A 7 0.852 -18.643 0.472 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.411 -16.916 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.345 -16.373 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.240 -16.754 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.812 -15.694 -0.232 1.00 0.00 H new ATOM 95 N CYS A 8 0.606 -16.689 -3.359 1.00 0.00 N ATOM 96 CA CYS A 8 0.432 -15.513 -4.200 1.00 0.00 C ATOM 97 C CYS A 8 -0.005 -15.892 -5.613 1.00 0.00 C ATOM 98 O CYS A 8 0.817 -15.981 -6.526 1.00 0.00 O ATOM 99 CB CYS A 8 1.730 -14.702 -4.247 1.00 0.00 C ATOM 100 SG CYS A 8 2.613 -14.631 -2.654 1.00 0.00 S ATOM 0 H CYS A 8 1.304 -17.352 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.357 -14.903 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.390 -15.135 -4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.501 -13.686 -4.570 1.00 0.00 H new ATOM 105 N PRO A 9 -1.317 -16.120 -5.812 1.00 0.00 N ATOM 106 CA PRO A 9 -1.867 -16.488 -7.113 1.00 0.00 C ATOM 107 C PRO A 9 -2.150 -15.274 -7.997 1.00 0.00 C ATOM 108 O PRO A 9 -1.437 -15.028 -8.971 1.00 0.00 O ATOM 109 CB PRO A 9 -3.163 -17.206 -6.743 1.00 0.00 C ATOM 110 CG PRO A 9 -3.601 -16.586 -5.455 1.00 0.00 C ATOM 111 CD PRO A 9 -2.367 -16.038 -4.778 1.00 0.00 C ATOM 0 HA PRO A 9 -1.175 -17.095 -7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.919 -17.079 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.001 -18.278 -6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.324 -15.791 -5.637 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.092 -17.324 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.519 -15.011 -4.446 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.104 -16.623 -3.897 1.00 0.00 H new ATOM 119 N GLU A 10 -3.195 -14.526 -7.658 1.00 0.00 N ATOM 120 CA GLU A 10 -3.574 -13.344 -8.427 1.00 0.00 C ATOM 121 C GLU A 10 -3.259 -12.057 -7.664 1.00 0.00 C ATOM 122 O GLU A 10 -2.178 -11.488 -7.815 1.00 0.00 O ATOM 123 CB GLU A 10 -5.064 -13.397 -8.779 1.00 0.00 C ATOM 124 CG GLU A 10 -5.918 -14.092 -7.730 1.00 0.00 C ATOM 125 CD GLU A 10 -6.235 -15.529 -8.096 1.00 0.00 C ATOM 126 OE1 GLU A 10 -6.483 -15.798 -9.291 1.00 0.00 O ATOM 127 OE2 GLU A 10 -6.237 -16.386 -7.187 1.00 0.00 O ATOM 0 H GLU A 10 -3.795 -14.717 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.988 -13.341 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.431 -12.380 -8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.185 -13.912 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.399 -14.071 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.849 -13.540 -7.600 1.00 0.00 H new ATOM 134 N LYS A 11 -4.213 -11.602 -6.852 1.00 0.00 N ATOM 135 CA LYS A 11 -4.041 -10.379 -6.071 1.00 0.00 C ATOM 136 C LYS A 11 -2.724 -10.399 -5.303 1.00 0.00 C ATOM 137 O LYS A 11 -1.987 -9.417 -5.286 1.00 0.00 O ATOM 138 CB LYS A 11 -5.208 -10.206 -5.098 1.00 0.00 C ATOM 139 CG LYS A 11 -6.565 -10.159 -5.781 1.00 0.00 C ATOM 140 CD LYS A 11 -7.700 -10.159 -4.769 1.00 0.00 C ATOM 141 CE LYS A 11 -8.611 -8.957 -4.954 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.886 -9.106 -4.199 1.00 0.00 N ATOM 0 H LYS A 11 -5.113 -12.063 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.022 -9.537 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.199 -11.028 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.064 -9.287 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.630 -9.265 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.669 -11.017 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.280 -11.076 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.289 -10.153 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.095 -8.056 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.830 -8.827 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.480 -8.266 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.391 -9.952 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.679 -9.205 -3.185 1.00 0.00 H new ATOM 156 N TRP A 12 -2.436 -11.529 -4.674 1.00 0.00 N ATOM 157 CA TRP A 12 -1.207 -11.691 -3.908 1.00 0.00 C ATOM 158 C TRP A 12 0.001 -11.733 -4.842 1.00 0.00 C ATOM 159 O TRP A 12 -0.014 -12.430 -5.857 1.00 0.00 O ATOM 160 CB TRP A 12 -1.265 -12.967 -3.069 1.00 0.00 C ATOM 161 CG TRP A 12 -2.334 -12.957 -2.018 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.659 -12.676 -2.193 1.00 0.00 C ATOM 163 CD2 TRP A 12 -2.167 -13.248 -0.626 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.325 -12.772 -0.996 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.431 -13.122 -0.018 1.00 0.00 C ATOM 166 CE3 TRP A 12 -1.072 -13.602 0.166 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.628 -13.338 1.344 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -1.269 -13.816 1.518 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.538 -13.685 2.094 1.00 0.00 C ATOM 0 H TRP A 12 -3.039 -12.351 -4.679 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.104 -10.837 -3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.428 -13.818 -3.731 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.298 -13.118 -2.588 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.117 -12.416 -3.136 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.322 -12.609 -0.857 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -0.089 -13.707 -0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.606 -13.235 1.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.429 -14.089 2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.659 -13.862 3.153 1.00 0.00 H new ATOM 180 N ILE A 13 1.043 -10.981 -4.496 1.00 0.00 N ATOM 181 CA ILE A 13 2.253 -10.933 -5.312 1.00 0.00 C ATOM 182 C ILE A 13 3.507 -11.136 -4.464 1.00 0.00 C ATOM 183 O ILE A 13 3.724 -10.424 -3.488 1.00 0.00 O ATOM 184 CB ILE A 13 2.375 -9.589 -6.060 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.041 -8.824 -6.035 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.843 -9.825 -7.484 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.152 -9.074 -7.240 1.00 0.00 C ATOM 0 H ILE A 13 1.074 -10.399 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 13 2.171 -11.744 -6.036 1.00 0.00 H new ATOM 0 HB ILE A 13 3.117 -8.974 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.495 -9.099 -5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.250 -7.756 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.926 -8.870 -8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.816 -10.316 -7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.124 -10.459 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.767 -8.496 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.675 -8.771 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.091 -10.135 -7.299 1.00 0.00 H new ATOM 199 N ASN A 14 4.334 -12.105 -4.851 1.00 0.00 N ATOM 200 CA ASN A 14 5.569 -12.400 -4.125 1.00 0.00 C ATOM 201 C ASN A 14 6.795 -11.924 -4.898 1.00 0.00 C ATOM 202 O ASN A 14 6.773 -11.843 -6.126 1.00 0.00 O ATOM 203 CB ASN A 14 5.680 -13.898 -3.842 1.00 0.00 C ATOM 204 CG ASN A 14 7.018 -14.279 -3.239 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.862 -14.878 -3.904 1.00 0.00 O ATOM 206 ND2 ASN A 14 7.217 -13.933 -1.974 1.00 0.00 N ATOM 0 H ASN A 14 4.172 -12.700 -5.664 1.00 0.00 H new ATOM 0 HA ASN A 14 5.532 -11.860 -3.179 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.881 -14.196 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.533 -14.451 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.098 -14.163 -1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.489 -13.437 -1.460 1.00 0.00 H new ATOM 213 N PHE A 15 7.860 -11.605 -4.167 1.00 0.00 N ATOM 214 CA PHE A 15 9.094 -11.129 -4.780 1.00 0.00 C ATOM 215 C PHE A 15 10.303 -11.902 -4.249 1.00 0.00 C ATOM 216 O PHE A 15 10.312 -13.132 -4.260 1.00 0.00 O ATOM 217 CB PHE A 15 9.265 -9.629 -4.520 1.00 0.00 C ATOM 218 CG PHE A 15 7.987 -8.851 -4.632 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.572 -8.344 -5.853 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.201 -8.627 -3.514 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.394 -7.628 -5.956 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.024 -7.912 -3.611 1.00 0.00 C ATOM 223 CZ PHE A 15 5.619 -7.412 -4.833 1.00 0.00 C ATOM 0 H PHE A 15 7.892 -11.668 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 15 9.031 -11.298 -5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.681 -9.487 -3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.989 -9.226 -5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.175 -8.510 -6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.512 -9.016 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.080 -7.238 -6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.420 -7.744 -2.732 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.698 -6.853 -4.911 1.00 0.00 H new ATOM 233 N GLN A 16 11.321 -11.174 -3.787 1.00 0.00 N ATOM 234 CA GLN A 16 12.531 -11.794 -3.256 1.00 0.00 C ATOM 235 C GLN A 16 12.189 -12.852 -2.213 1.00 0.00 C ATOM 236 O GLN A 16 12.751 -13.948 -2.222 1.00 0.00 O ATOM 237 CB GLN A 16 13.447 -10.733 -2.644 1.00 0.00 C ATOM 238 CG GLN A 16 12.716 -9.731 -1.766 1.00 0.00 C ATOM 239 CD GLN A 16 13.510 -8.457 -1.550 1.00 0.00 C ATOM 240 OE1 GLN A 16 13.862 -8.116 -0.421 1.00 0.00 O ATOM 241 NE2 GLN A 16 13.794 -7.747 -2.635 1.00 0.00 N ATOM 0 H GLN A 16 11.329 -10.154 -3.771 1.00 0.00 H new ATOM 0 HA GLN A 16 13.051 -12.280 -4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.217 -11.228 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.955 -10.198 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.758 -9.484 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.501 -10.189 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.481 -8.069 -3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.325 -6.880 -2.553 1.00 0.00 H new ATOM 250 N ARG A 17 11.263 -12.522 -1.317 1.00 0.00 N ATOM 251 CA ARG A 17 10.852 -13.454 -0.274 1.00 0.00 C ATOM 252 C ARG A 17 9.566 -12.996 0.407 1.00 0.00 C ATOM 253 O ARG A 17 9.041 -13.683 1.285 1.00 0.00 O ATOM 254 CB ARG A 17 11.963 -13.619 0.765 1.00 0.00 C ATOM 255 CG ARG A 17 12.505 -12.299 1.289 1.00 0.00 C ATOM 256 CD ARG A 17 13.897 -12.013 0.746 1.00 0.00 C ATOM 257 NE ARG A 17 14.903 -11.991 1.803 1.00 0.00 N ATOM 258 CZ ARG A 17 16.187 -12.275 1.604 1.00 0.00 C ATOM 259 NH1 ARG A 17 16.617 -12.604 0.393 1.00 0.00 N ATOM 260 NH2 ARG A 17 17.042 -12.231 2.616 1.00 0.00 N ATOM 0 H ARG A 17 10.786 -11.621 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 17 10.661 -14.417 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.582 -14.204 1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.781 -14.189 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.830 -11.490 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.536 -12.324 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.162 -12.772 0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.894 -11.054 0.228 1.00 0.00 H new ATOM 0 HE ARG A 17 14.605 -11.744 2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.962 -12.640 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.602 -12.821 0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.715 -11.979 3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.026 -12.449 2.462 1.00 0.00 H new ATOM 274 N LYS A 18 9.057 -11.840 -0.003 1.00 0.00 N ATOM 275 CA LYS A 18 7.832 -11.307 0.566 1.00 0.00 C ATOM 276 C LYS A 18 6.724 -11.283 -0.464 1.00 0.00 C ATOM 277 O LYS A 18 6.966 -11.281 -1.667 1.00 0.00 O ATOM 278 CB LYS A 18 8.035 -9.897 1.105 1.00 0.00 C ATOM 279 CG LYS A 18 8.297 -8.870 0.022 1.00 0.00 C ATOM 280 CD LYS A 18 9.645 -8.200 0.214 1.00 0.00 C ATOM 281 CE LYS A 18 9.490 -6.772 0.711 1.00 0.00 C ATOM 282 NZ LYS A 18 9.886 -5.776 -0.323 1.00 0.00 N ATOM 0 H LYS A 18 9.476 -11.256 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 18 7.552 -11.965 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.151 -9.601 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.872 -9.900 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.264 -9.352 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.509 -8.117 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.239 -8.772 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.191 -8.201 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.454 -6.600 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.100 -6.630 1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.945 -4.832 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.813 -6.035 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.177 -5.765 -1.084 1.00 0.00 H new ATOM 296 N CYS A 19 5.509 -11.249 0.032 1.00 0.00 N ATOM 297 CA CYS A 19 4.333 -11.211 -0.813 1.00 0.00 C ATOM 298 C CYS A 19 3.467 -10.015 -0.450 1.00 0.00 C ATOM 299 O CYS A 19 3.657 -9.394 0.595 1.00 0.00 O ATOM 300 CB CYS A 19 3.533 -12.510 -0.687 1.00 0.00 C ATOM 301 SG CYS A 19 2.273 -12.743 -1.985 1.00 0.00 S ATOM 0 H CYS A 19 5.306 -11.247 1.032 1.00 0.00 H new ATOM 0 HA CYS A 19 4.654 -11.110 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.224 -13.353 -0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.043 -12.528 0.286 1.00 0.00 H new ATOM 306 N TYR A 20 2.521 -9.697 -1.316 1.00 0.00 N ATOM 307 CA TYR A 20 1.624 -8.574 -1.095 1.00 0.00 C ATOM 308 C TYR A 20 0.183 -9.045 -1.151 1.00 0.00 C ATOM 309 O TYR A 20 -0.218 -9.722 -2.091 1.00 0.00 O ATOM 310 CB TYR A 20 1.830 -7.492 -2.164 1.00 0.00 C ATOM 311 CG TYR A 20 3.007 -6.566 -1.933 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.023 -6.882 -1.040 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.090 -5.361 -2.620 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.088 -6.023 -0.839 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.150 -4.499 -2.426 1.00 0.00 C ATOM 316 CZ TYR A 20 5.147 -4.833 -1.535 1.00 0.00 C ATOM 317 OH TYR A 20 6.204 -3.976 -1.337 1.00 0.00 O ATOM 0 H TYR A 20 2.353 -10.204 -2.185 1.00 0.00 H new ATOM 0 HA TYR A 20 1.844 -8.155 -0.113 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.957 -7.980 -3.130 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.923 -6.891 -2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.981 -7.813 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.311 -5.094 -3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.870 -6.282 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.198 -3.567 -2.970 1.00 0.00 H new ATOM 0 HH TYR A 20 6.094 -3.184 -1.904 1.00 0.00 H new ATOM 327 N TYR A 21 -0.594 -8.671 -0.150 1.00 0.00 N ATOM 328 CA TYR A 21 -1.992 -9.047 -0.099 1.00 0.00 C ATOM 329 C TYR A 21 -2.833 -7.893 -0.622 1.00 0.00 C ATOM 330 O TYR A 21 -2.937 -6.841 0.007 1.00 0.00 O ATOM 331 CB TYR A 21 -2.374 -9.404 1.342 1.00 0.00 C ATOM 332 CG TYR A 21 -3.860 -9.485 1.605 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.732 -10.031 0.672 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.387 -9.021 2.803 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.087 -10.110 0.923 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.740 -9.095 3.062 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.587 -9.640 2.120 1.00 0.00 C ATOM 338 OH TYR A 21 -7.937 -9.718 2.376 1.00 0.00 O ATOM 0 H TYR A 21 -0.278 -8.106 0.639 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.173 -9.922 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.922 -10.363 1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.941 -8.661 2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.343 -10.400 -0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.727 -8.595 3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.752 -10.537 0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.134 -8.728 3.998 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.214 -8.945 2.911 1.00 0.00 H new ATOM 348 N PHE A 22 -3.407 -8.098 -1.800 1.00 0.00 N ATOM 349 CA PHE A 22 -4.213 -7.084 -2.455 1.00 0.00 C ATOM 350 C PHE A 22 -5.701 -7.314 -2.196 1.00 0.00 C ATOM 351 O PHE A 22 -6.234 -8.383 -2.493 1.00 0.00 O ATOM 352 CB PHE A 22 -3.911 -7.116 -3.960 1.00 0.00 C ATOM 353 CG PHE A 22 -2.553 -6.559 -4.332 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.679 -6.100 -3.357 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.151 -6.501 -5.660 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.438 -5.594 -3.697 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.907 -5.996 -6.005 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.050 -5.541 -5.020 1.00 0.00 C ATOM 0 H PHE A 22 -3.326 -8.969 -2.324 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.963 -6.103 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.977 -8.146 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.680 -6.550 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.972 -6.138 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.816 -6.854 -6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.229 -5.239 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.608 -5.958 -7.042 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.919 -5.146 -5.285 1.00 0.00 H new ATOM 368 N GLY A 23 -6.364 -6.306 -1.629 1.00 0.00 N ATOM 369 CA GLY A 23 -7.782 -6.426 -1.328 1.00 0.00 C ATOM 370 C GLY A 23 -8.592 -5.226 -1.775 1.00 0.00 C ATOM 371 O GLY A 23 -8.046 -4.259 -2.307 1.00 0.00 O ATOM 0 H GLY A 23 -5.946 -5.412 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.175 -7.321 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.908 -6.562 -0.254 1.00 0.00 H new ATOM 375 N LYS A 24 -9.903 -5.294 -1.552 1.00 0.00 N ATOM 376 CA LYS A 24 -10.806 -4.213 -1.927 1.00 0.00 C ATOM 377 C LYS A 24 -11.777 -3.896 -0.793 1.00 0.00 C ATOM 378 O LYS A 24 -12.092 -4.758 0.027 1.00 0.00 O ATOM 379 CB LYS A 24 -11.581 -4.583 -3.195 1.00 0.00 C ATOM 380 CG LYS A 24 -12.676 -3.591 -3.555 1.00 0.00 C ATOM 381 CD LYS A 24 -13.312 -3.925 -4.895 1.00 0.00 C ATOM 382 CE LYS A 24 -14.116 -2.754 -5.437 1.00 0.00 C ATOM 383 NZ LYS A 24 -14.071 -2.688 -6.924 1.00 0.00 N ATOM 0 H LYS A 24 -10.363 -6.091 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.207 -3.324 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.882 -4.657 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.026 -5.569 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.440 -3.593 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.259 -2.584 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.535 -4.197 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.961 -4.793 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.152 -2.843 -5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.728 -1.824 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.632 -1.876 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.085 -2.578 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.465 -3.564 -7.322 1.00 0.00 H new ATOM 440 N GLN A 28 -10.605 4.214 4.921 1.00 0.00 N ATOM 441 CA GLN A 28 -9.511 5.157 4.708 1.00 0.00 C ATOM 442 C GLN A 28 -8.155 4.488 4.915 1.00 0.00 C ATOM 443 O GLN A 28 -8.070 3.269 5.072 1.00 0.00 O ATOM 444 CB GLN A 28 -9.651 6.352 5.653 1.00 0.00 C ATOM 445 CG GLN A 28 -11.006 7.036 5.570 1.00 0.00 C ATOM 446 CD GLN A 28 -11.265 7.964 6.740 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.922 7.654 7.881 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.875 9.111 6.463 1.00 0.00 N ATOM 0 HA GLN A 28 -9.566 5.505 3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.484 6.017 6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.871 7.079 5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.066 7.603 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.789 6.279 5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.142 9.328 5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.076 9.775 7.211 1.00 0.00 H new ATOM 457 N TRP A 29 -7.096 5.295 4.911 1.00 0.00 N ATOM 458 CA TRP A 29 -5.741 4.786 5.096 1.00 0.00 C ATOM 459 C TRP A 29 -5.591 4.115 6.454 1.00 0.00 C ATOM 460 O TRP A 29 -5.092 2.994 6.552 1.00 0.00 O ATOM 461 CB TRP A 29 -4.721 5.917 4.957 1.00 0.00 C ATOM 462 CG TRP A 29 -3.316 5.493 5.265 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.416 4.946 4.397 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.653 5.575 6.532 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.234 4.684 5.047 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.355 5.063 6.358 1.00 0.00 C ATOM 467 CE3 TRP A 29 -3.031 6.035 7.798 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.433 4.996 7.399 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.116 5.968 8.831 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.830 5.453 8.627 1.00 0.00 C ATOM 0 H TRP A 29 -7.152 6.305 4.781 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.554 4.042 4.321 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.760 6.308 3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.001 6.733 5.624 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.605 4.748 3.352 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.402 4.274 4.623 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.020 6.435 7.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.559 4.598 7.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.398 6.319 9.813 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.137 5.416 9.455 1.00 0.00 H new ATOM 481 N VAL A 30 -6.026 4.809 7.497 1.00 0.00 N ATOM 482 CA VAL A 30 -5.944 4.282 8.852 1.00 0.00 C ATOM 483 C VAL A 30 -6.629 2.926 8.944 1.00 0.00 C ATOM 484 O VAL A 30 -6.232 2.067 9.731 1.00 0.00 O ATOM 485 CB VAL A 30 -6.581 5.241 9.875 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.686 6.451 10.101 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.965 5.673 9.413 1.00 0.00 C ATOM 0 H VAL A 30 -6.440 5.739 7.430 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.886 4.174 9.089 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.688 4.713 10.823 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.152 7.118 10.827 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.718 6.122 10.480 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.546 6.981 9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.399 6.350 10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.885 6.183 8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.603 4.796 9.306 1.00 0.00 H new ATOM 497 N HIS A 31 -7.659 2.738 8.128 1.00 0.00 N ATOM 498 CA HIS A 31 -8.393 1.484 8.113 1.00 0.00 C ATOM 499 C HIS A 31 -7.563 0.386 7.460 1.00 0.00 C ATOM 500 O HIS A 31 -7.660 -0.782 7.836 1.00 0.00 O ATOM 501 CB HIS A 31 -9.723 1.649 7.376 1.00 0.00 C ATOM 502 CG HIS A 31 -10.902 1.769 8.291 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.346 2.976 8.791 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.731 0.826 8.797 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.398 2.768 9.565 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.651 1.473 9.584 1.00 0.00 N ATOM 0 H HIS A 31 -8.002 3.438 7.470 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.600 1.197 9.144 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.672 2.536 6.744 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.871 0.795 6.715 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.678 -0.237 8.615 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.955 3.529 10.092 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.408 1.025 10.100 1.00 0.00 H new ATOM 515 N ALA A 32 -6.744 0.766 6.482 1.00 0.00 N ATOM 516 CA ALA A 32 -5.901 -0.198 5.789 1.00 0.00 C ATOM 517 C ALA A 32 -4.785 -0.688 6.699 1.00 0.00 C ATOM 518 O ALA A 32 -4.564 -1.889 6.832 1.00 0.00 O ATOM 519 CB ALA A 32 -5.322 0.415 4.525 1.00 0.00 C ATOM 0 H ALA A 32 -6.648 1.727 6.155 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.517 -1.053 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.694 -0.319 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.133 0.717 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.722 1.287 4.785 1.00 0.00 H new ATOM 525 N ARG A 33 -4.092 0.249 7.334 1.00 0.00 N ATOM 526 CA ARG A 33 -3.006 -0.094 8.241 1.00 0.00 C ATOM 527 C ARG A 33 -3.512 -0.966 9.383 1.00 0.00 C ATOM 528 O ARG A 33 -2.838 -1.906 9.804 1.00 0.00 O ATOM 529 CB ARG A 33 -2.344 1.169 8.798 1.00 0.00 C ATOM 530 CG ARG A 33 -3.322 2.152 9.414 1.00 0.00 C ATOM 531 CD ARG A 33 -3.204 2.179 10.930 1.00 0.00 C ATOM 532 NE ARG A 33 -3.866 3.345 11.509 1.00 0.00 N ATOM 533 CZ ARG A 33 -3.644 3.781 12.745 1.00 0.00 C ATOM 534 NH1 ARG A 33 -2.780 3.151 13.531 1.00 0.00 N ATOM 535 NH2 ARG A 33 -4.287 4.849 13.199 1.00 0.00 N ATOM 0 H ARG A 33 -4.263 1.250 7.237 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.262 -0.656 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.610 0.881 9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.800 1.667 7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.136 3.150 9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.339 1.880 9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.642 1.271 11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.151 2.183 11.212 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.536 3.853 10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.283 2.329 13.187 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.613 3.489 14.479 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.953 5.337 12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.116 5.182 14.148 1.00 0.00 H new ATOM 549 N TYR A 34 -4.704 -0.650 9.879 1.00 0.00 N ATOM 550 CA TYR A 34 -5.300 -1.407 10.971 1.00 0.00 C ATOM 551 C TYR A 34 -5.776 -2.775 10.493 1.00 0.00 C ATOM 552 O TYR A 34 -5.760 -3.747 11.250 1.00 0.00 O ATOM 553 CB TYR A 34 -6.467 -0.631 11.583 1.00 0.00 C ATOM 554 CG TYR A 34 -6.513 -0.699 13.093 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.908 -1.862 13.743 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.161 0.399 13.869 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.950 -1.928 15.123 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.201 0.341 15.249 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.596 -0.825 15.871 1.00 0.00 C ATOM 560 OH TYR A 34 -6.637 -0.888 17.244 1.00 0.00 O ATOM 0 H TYR A 34 -5.275 0.125 9.541 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.535 -1.557 11.733 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.399 0.413 11.276 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.402 -1.021 11.181 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.187 -2.728 13.161 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.851 1.313 13.385 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.259 -2.839 15.613 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.925 1.204 15.837 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.356 -0.027 17.619 1.00 0.00 H new ATOM 570 N ALA A 35 -6.205 -2.842 9.237 1.00 0.00 N ATOM 571 CA ALA A 35 -6.692 -4.089 8.663 1.00 0.00 C ATOM 572 C ALA A 35 -5.558 -5.082 8.450 1.00 0.00 C ATOM 573 O ALA A 35 -5.714 -6.278 8.701 1.00 0.00 O ATOM 574 CB ALA A 35 -7.419 -3.822 7.354 1.00 0.00 C ATOM 0 H ALA A 35 -6.225 -2.047 8.598 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.393 -4.531 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.777 -4.764 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.266 -3.161 7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.736 -3.350 6.648 1.00 0.00 H new ATOM 580 N CYS A 36 -4.419 -4.584 7.990 1.00 0.00 N ATOM 581 CA CYS A 36 -3.262 -5.434 7.752 1.00 0.00 C ATOM 582 C CYS A 36 -2.581 -5.780 9.070 1.00 0.00 C ATOM 583 O CYS A 36 -1.932 -6.819 9.194 1.00 0.00 O ATOM 584 CB CYS A 36 -2.270 -4.743 6.813 1.00 0.00 C ATOM 585 SG CYS A 36 -3.052 -3.782 5.476 1.00 0.00 S ATOM 0 H CYS A 36 -4.272 -3.598 7.775 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.604 -6.355 7.279 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.635 -4.079 7.399 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.620 -5.498 6.370 1.00 0.00 H new ATOM 590 N ASP A 37 -2.741 -4.899 10.053 1.00 0.00 N ATOM 591 CA ASP A 37 -2.150 -5.103 11.370 1.00 0.00 C ATOM 592 C ASP A 37 -2.920 -6.158 12.156 1.00 0.00 C ATOM 593 O ASP A 37 -2.384 -6.775 13.078 1.00 0.00 O ATOM 594 CB ASP A 37 -2.123 -3.787 12.150 1.00 0.00 C ATOM 595 CG ASP A 37 -1.057 -3.777 13.228 1.00 0.00 C ATOM 596 OD1 ASP A 37 -1.255 -4.443 14.264 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.025 -3.101 13.034 1.00 0.00 O ATOM 0 H ASP A 37 -3.276 -4.036 9.961 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.128 -5.455 11.230 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.946 -2.962 11.460 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.099 -3.618 12.606 1.00 0.00 H new ATOM 602 N ASP A 38 -4.185 -6.352 11.793 1.00 0.00 N ATOM 603 CA ASP A 38 -5.038 -7.324 12.469 1.00 0.00 C ATOM 604 C ASP A 38 -4.446 -8.727 12.403 1.00 0.00 C ATOM 605 O ASP A 38 -4.510 -9.480 13.375 1.00 0.00 O ATOM 606 CB ASP A 38 -6.436 -7.321 11.848 1.00 0.00 C ATOM 607 CG ASP A 38 -7.526 -7.549 12.878 1.00 0.00 C ATOM 608 OD1 ASP A 38 -8.009 -6.556 13.461 1.00 0.00 O ATOM 609 OD2 ASP A 38 -7.895 -8.721 13.101 1.00 0.00 O ATOM 0 H ASP A 38 -4.642 -5.848 11.033 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.106 -7.034 13.518 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.606 -6.368 11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.493 -8.097 11.084 1.00 0.00 H new ATOM 614 N MET A 39 -3.871 -9.074 11.254 1.00 0.00 N ATOM 615 CA MET A 39 -3.269 -10.392 11.067 1.00 0.00 C ATOM 616 C MET A 39 -2.647 -10.534 9.680 1.00 0.00 C ATOM 617 O MET A 39 -1.715 -11.314 9.490 1.00 0.00 O ATOM 618 CB MET A 39 -4.317 -11.489 11.274 1.00 0.00 C ATOM 619 CG MET A 39 -5.552 -11.323 10.403 1.00 0.00 C ATOM 620 SD MET A 39 -6.342 -12.895 10.011 1.00 0.00 S ATOM 621 CE MET A 39 -7.508 -13.034 11.365 1.00 0.00 C ATOM 0 H MET A 39 -3.809 -8.462 10.440 1.00 0.00 H new ATOM 0 HA MET A 39 -2.477 -10.498 11.809 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.863 -12.458 11.065 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.620 -11.498 12.321 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.268 -10.679 10.913 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.274 -10.820 9.477 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.075 -13.959 11.263 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.967 -13.042 12.311 1.00 0.00 H new ATOM 0 HE3 MET A 39 -8.192 -12.185 11.345 1.00 0.00 H new ATOM 631 N GLU A 40 -3.177 -9.786 8.713 1.00 0.00 N ATOM 632 CA GLU A 40 -2.683 -9.836 7.340 1.00 0.00 C ATOM 633 C GLU A 40 -1.157 -9.756 7.292 1.00 0.00 C ATOM 634 O GLU A 40 -0.476 -10.783 7.304 1.00 0.00 O ATOM 635 CB GLU A 40 -3.298 -8.706 6.513 1.00 0.00 C ATOM 636 CG GLU A 40 -4.819 -8.740 6.469 1.00 0.00 C ATOM 637 CD GLU A 40 -5.370 -10.141 6.281 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.841 -10.877 5.421 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.328 -10.503 6.995 1.00 0.00 O ATOM 0 H GLU A 40 -3.951 -9.137 8.857 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.982 -10.793 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.976 -7.749 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.912 -8.761 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.214 -8.320 7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.169 -8.105 5.655 1.00 0.00 H new ATOM 646 N GLY A 41 -0.622 -8.539 7.234 1.00 0.00 N ATOM 647 CA GLY A 41 0.822 -8.377 7.183 1.00 0.00 C ATOM 648 C GLY A 41 1.298 -7.035 7.705 1.00 0.00 C ATOM 649 O GLY A 41 1.488 -6.855 8.908 1.00 0.00 O ATOM 0 H GLY A 41 -1.156 -7.670 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.290 -9.171 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.157 -8.497 6.153 1.00 0.00 H new ATOM 653 N GLN A 42 1.518 -6.107 6.786 1.00 0.00 N ATOM 654 CA GLN A 42 2.007 -4.778 7.109 1.00 0.00 C ATOM 655 C GLN A 42 1.560 -3.827 6.026 1.00 0.00 C ATOM 656 O GLN A 42 1.206 -4.266 4.938 1.00 0.00 O ATOM 657 CB GLN A 42 3.535 -4.777 7.186 1.00 0.00 C ATOM 658 CG GLN A 42 4.144 -3.385 7.224 1.00 0.00 C ATOM 659 CD GLN A 42 5.659 -3.406 7.163 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.314 -4.071 7.965 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.220 -2.676 6.207 1.00 0.00 N ATOM 0 H GLN A 42 1.361 -6.257 5.789 1.00 0.00 H new ATOM 0 HA GLN A 42 1.609 -4.469 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.845 -5.324 8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.934 -5.315 6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.759 -2.802 6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.828 -2.880 8.137 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.636 -2.141 5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.235 -2.650 6.114 1.00 0.00 H new ATOM 670 N LEU A 43 1.578 -2.534 6.277 1.00 0.00 N ATOM 671 CA LEU A 43 1.174 -1.639 5.231 1.00 0.00 C ATOM 672 C LEU A 43 2.310 -1.605 4.223 1.00 0.00 C ATOM 673 O LEU A 43 3.421 -1.160 4.513 1.00 0.00 O ATOM 674 CB LEU A 43 0.893 -0.244 5.796 1.00 0.00 C ATOM 675 CG LEU A 43 -0.309 0.493 5.197 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.557 -0.371 5.248 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.541 1.802 5.934 1.00 0.00 C ATOM 0 H LEU A 43 1.856 -2.100 7.157 1.00 0.00 H new ATOM 0 HA LEU A 43 0.252 -1.977 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.740 -0.333 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.781 0.371 5.650 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.091 0.710 4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.396 0.175 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.390 -1.286 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.783 -0.623 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.398 2.317 5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.736 1.597 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.344 2.432 5.845 1.00 0.00 H new ATOM 689 N VAL A 44 1.999 -2.143 3.053 1.00 0.00 N ATOM 690 CA VAL A 44 2.932 -2.281 1.939 1.00 0.00 C ATOM 691 C VAL A 44 4.079 -1.286 1.964 1.00 0.00 C ATOM 692 O VAL A 44 5.233 -1.662 2.174 1.00 0.00 O ATOM 693 CB VAL A 44 2.188 -2.161 0.604 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.946 -3.536 0.013 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.875 -1.419 0.795 1.00 0.00 C ATOM 0 H VAL A 44 1.069 -2.505 2.845 1.00 0.00 H new ATOM 0 HA VAL A 44 3.374 -3.272 2.048 1.00 0.00 H new ATOM 0 HB VAL A 44 2.805 -1.591 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.417 -3.437 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.901 -4.033 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.345 -4.128 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.358 -1.342 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.249 -1.963 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.075 -0.419 1.181 1.00 0.00 H new ATOM 705 N SER A 45 3.761 -0.032 1.711 1.00 0.00 N ATOM 706 CA SER A 45 4.775 1.017 1.666 1.00 0.00 C ATOM 707 C SER A 45 5.732 0.746 0.512 1.00 0.00 C ATOM 708 O SER A 45 6.952 0.763 0.677 1.00 0.00 O ATOM 709 CB SER A 45 5.545 1.086 2.985 1.00 0.00 C ATOM 710 OG SER A 45 6.039 2.392 3.216 1.00 0.00 O ATOM 0 H SER A 45 2.810 0.291 1.533 1.00 0.00 H new ATOM 0 HA SER A 45 4.282 1.977 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.893 0.789 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.374 0.378 2.964 1.00 0.00 H new ATOM 0 HG SER A 45 6.959 2.340 3.548 1.00 0.00 H new ATOM 716 N ILE A 46 5.147 0.473 -0.649 1.00 0.00 N ATOM 717 CA ILE A 46 5.901 0.163 -1.862 1.00 0.00 C ATOM 718 C ILE A 46 7.134 1.046 -2.009 1.00 0.00 C ATOM 719 O ILE A 46 7.068 2.264 -1.842 1.00 0.00 O ATOM 720 CB ILE A 46 5.029 0.305 -3.131 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.720 1.045 -2.821 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.748 -1.064 -3.736 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.633 0.164 -2.237 1.00 0.00 C ATOM 0 H ILE A 46 4.135 0.460 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 46 6.219 -0.875 -1.760 1.00 0.00 H new ATOM 0 HB ILE A 46 5.581 0.898 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.930 1.855 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.348 1.503 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.133 -0.948 -4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.689 -1.544 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.220 -1.681 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.742 0.763 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.392 -0.632 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.983 -0.273 -1.302 1.00 0.00 H new ATOM 735 N HIS A 47 8.260 0.414 -2.326 1.00 0.00 N ATOM 736 CA HIS A 47 9.519 1.125 -2.503 1.00 0.00 C ATOM 737 C HIS A 47 10.147 0.780 -3.848 1.00 0.00 C ATOM 738 O HIS A 47 11.217 1.283 -4.190 1.00 0.00 O ATOM 739 CB HIS A 47 10.488 0.777 -1.373 1.00 0.00 C ATOM 740 CG HIS A 47 10.557 -0.688 -1.072 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.283 -1.579 -1.835 1.00 0.00 N ATOM 742 CD2 HIS A 47 9.988 -1.418 -0.084 1.00 0.00 C ATOM 743 CE1 HIS A 47 11.155 -2.793 -1.330 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.375 -2.722 -0.267 1.00 0.00 N ATOM 0 H HIS A 47 8.325 -0.594 -2.466 1.00 0.00 H new ATOM 0 HA HIS A 47 9.313 2.195 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.484 1.132 -1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.188 1.311 -0.471 1.00 0.00 H new ATOM 0 HD1 HIS A 47 11.833 -1.338 -2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.349 -1.044 0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.611 -3.691 -1.720 1.00 0.00 H new ATOM 753 N SER A 48 9.473 -0.077 -4.609 1.00 0.00 N ATOM 754 CA SER A 48 9.962 -0.482 -5.916 1.00 0.00 C ATOM 755 C SER A 48 8.978 -0.065 -6.996 1.00 0.00 C ATOM 756 O SER A 48 7.814 -0.462 -6.965 1.00 0.00 O ATOM 757 CB SER A 48 10.178 -1.996 -5.959 1.00 0.00 C ATOM 758 OG SER A 48 11.290 -2.329 -6.771 1.00 0.00 O ATOM 0 H SER A 48 8.586 -0.503 -4.340 1.00 0.00 H new ATOM 0 HA SER A 48 10.916 0.012 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.336 -2.373 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.283 -2.484 -6.345 1.00 0.00 H new ATOM 0 HG SER A 48 11.408 -3.302 -6.781 1.00 0.00 H new ATOM 764 N PRO A 49 9.428 0.744 -7.971 1.00 0.00 N ATOM 765 CA PRO A 49 8.569 1.205 -9.059 1.00 0.00 C ATOM 766 C PRO A 49 7.740 0.068 -9.641 1.00 0.00 C ATOM 767 O PRO A 49 6.627 0.279 -10.120 1.00 0.00 O ATOM 768 CB PRO A 49 9.569 1.735 -10.086 1.00 0.00 C ATOM 769 CG PRO A 49 10.725 2.200 -9.269 1.00 0.00 C ATOM 770 CD PRO A 49 10.803 1.267 -8.089 1.00 0.00 C ATOM 0 HA PRO A 49 7.842 1.950 -8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.866 0.957 -10.790 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.143 2.549 -10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.648 2.174 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.583 3.230 -8.943 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.524 0.467 -8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.113 1.790 -7.184 1.00 0.00 H new ATOM 778 N GLU A 50 8.288 -1.142 -9.578 1.00 0.00 N ATOM 779 CA GLU A 50 7.600 -2.321 -10.080 1.00 0.00 C ATOM 780 C GLU A 50 6.462 -2.721 -9.155 1.00 0.00 C ATOM 781 O GLU A 50 5.360 -3.022 -9.606 1.00 0.00 O ATOM 782 CB GLU A 50 8.572 -3.490 -10.225 1.00 0.00 C ATOM 783 CG GLU A 50 7.896 -4.791 -10.610 1.00 0.00 C ATOM 784 CD GLU A 50 8.775 -6.002 -10.362 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.672 -6.264 -11.189 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.563 -6.688 -9.341 1.00 0.00 O ATOM 0 H GLU A 50 9.209 -1.329 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 50 7.189 -2.073 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.319 -3.240 -10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.103 -3.630 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.971 -4.897 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.622 -4.755 -11.664 1.00 0.00 H new ATOM 793 N GLU A 51 6.745 -2.733 -7.857 1.00 0.00 N ATOM 794 CA GLU A 51 5.748 -3.108 -6.869 1.00 0.00 C ATOM 795 C GLU A 51 4.605 -2.100 -6.845 1.00 0.00 C ATOM 796 O GLU A 51 3.435 -2.478 -6.794 1.00 0.00 O ATOM 797 CB GLU A 51 6.391 -3.226 -5.487 1.00 0.00 C ATOM 798 CG GLU A 51 7.499 -4.264 -5.418 1.00 0.00 C ATOM 799 CD GLU A 51 8.111 -4.372 -4.035 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.574 -3.339 -3.508 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.127 -5.491 -3.479 1.00 0.00 O ATOM 0 H GLU A 51 7.655 -2.487 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 51 5.337 -4.079 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.795 -2.255 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.621 -3.479 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.101 -5.235 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.277 -4.008 -6.137 1.00 0.00 H new ATOM 808 N GLN A 52 4.950 -0.816 -6.898 1.00 0.00 N ATOM 809 CA GLN A 52 3.944 0.239 -6.897 1.00 0.00 C ATOM 810 C GLN A 52 3.117 0.164 -8.175 1.00 0.00 C ATOM 811 O GLN A 52 1.899 0.324 -8.151 1.00 0.00 O ATOM 812 CB GLN A 52 4.602 1.620 -6.754 1.00 0.00 C ATOM 813 CG GLN A 52 4.953 2.283 -8.080 1.00 0.00 C ATOM 814 CD GLN A 52 3.951 3.345 -8.502 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.263 4.215 -9.315 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.740 3.284 -7.954 1.00 0.00 N ATOM 0 H GLN A 52 5.913 -0.484 -6.942 1.00 0.00 H new ATOM 0 HA GLN A 52 3.284 0.095 -6.042 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.930 2.275 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.510 1.518 -6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.941 2.736 -8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.012 1.520 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.520 2.547 -7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.032 3.974 -8.204 1.00 0.00 H new ATOM 825 N ASP A 53 3.793 -0.108 -9.284 1.00 0.00 N ATOM 826 CA ASP A 53 3.139 -0.241 -10.575 1.00 0.00 C ATOM 827 C ASP A 53 2.276 -1.492 -10.586 1.00 0.00 C ATOM 828 O ASP A 53 1.224 -1.536 -11.221 1.00 0.00 O ATOM 829 CB ASP A 53 4.174 -0.306 -11.700 1.00 0.00 C ATOM 830 CG ASP A 53 3.570 -0.008 -13.059 1.00 0.00 C ATOM 831 OD1 ASP A 53 3.449 1.185 -13.407 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.219 -0.969 -13.774 1.00 0.00 O ATOM 0 H ASP A 53 4.804 -0.242 -9.312 1.00 0.00 H new ATOM 0 HA ASP A 53 2.508 0.633 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.973 0.407 -11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.627 -1.297 -11.716 1.00 0.00 H new ATOM 837 N PHE A 54 2.754 -2.517 -9.888 1.00 0.00 N ATOM 838 CA PHE A 54 2.066 -3.792 -9.811 1.00 0.00 C ATOM 839 C PHE A 54 0.674 -3.637 -9.213 1.00 0.00 C ATOM 840 O PHE A 54 -0.314 -4.087 -9.793 1.00 0.00 O ATOM 841 CB PHE A 54 2.887 -4.739 -8.943 1.00 0.00 C ATOM 842 CG PHE A 54 3.364 -5.962 -9.664 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.529 -7.051 -9.826 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.649 -6.020 -10.175 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.963 -8.181 -10.486 1.00 0.00 C ATOM 846 CE2 PHE A 54 5.093 -7.146 -10.837 1.00 0.00 C ATOM 847 CZ PHE A 54 4.249 -8.231 -10.994 1.00 0.00 C ATOM 0 H PHE A 54 3.628 -2.483 -9.362 1.00 0.00 H new ATOM 0 HA PHE A 54 1.956 -4.191 -10.819 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.750 -4.201 -8.551 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.286 -5.045 -8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.524 -7.017 -9.431 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.311 -5.175 -10.054 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.301 -9.025 -10.606 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.098 -7.180 -11.232 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.593 -9.114 -11.512 1.00 0.00 H new ATOM 857 N LEU A 55 0.602 -2.986 -8.062 1.00 0.00 N ATOM 858 CA LEU A 55 -0.672 -2.755 -7.400 1.00 0.00 C ATOM 859 C LEU A 55 -1.452 -1.676 -8.128 1.00 0.00 C ATOM 860 O LEU A 55 -2.678 -1.719 -8.198 1.00 0.00 O ATOM 861 CB LEU A 55 -0.463 -2.356 -5.947 1.00 0.00 C ATOM 862 CG LEU A 55 0.776 -1.514 -5.693 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.409 -0.043 -5.665 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.442 -1.937 -4.399 1.00 0.00 C ATOM 0 H LEU A 55 1.410 -2.609 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.242 -3.684 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.338 -1.802 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.402 -3.260 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 55 1.487 -1.671 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.304 0.552 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.027 0.242 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.314 0.136 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.328 -1.326 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.746 -1.804 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.732 -2.986 -4.465 1.00 0.00 H new ATOM 876 N THR A 56 -0.722 -0.706 -8.668 1.00 0.00 N ATOM 877 CA THR A 56 -1.325 0.392 -9.398 1.00 0.00 C ATOM 878 C THR A 56 -2.085 -0.153 -10.599 1.00 0.00 C ATOM 879 O THR A 56 -3.202 0.274 -10.894 1.00 0.00 O ATOM 880 CB THR A 56 -0.243 1.386 -9.838 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.392 2.626 -9.170 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.233 1.668 -11.323 1.00 0.00 C ATOM 0 H THR A 56 0.295 -0.663 -8.610 1.00 0.00 H new ATOM 0 HA THR A 56 -2.027 0.919 -8.752 1.00 0.00 H new ATOM 0 HB THR A 56 0.698 0.902 -9.576 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.310 3.243 -9.465 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.560 2.380 -11.553 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.058 0.741 -11.868 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.194 2.088 -11.620 1.00 0.00 H new ATOM 890 N LYS A 57 -1.475 -1.123 -11.269 1.00 0.00 N ATOM 891 CA LYS A 57 -2.088 -1.763 -12.418 1.00 0.00 C ATOM 892 C LYS A 57 -3.194 -2.688 -11.939 1.00 0.00 C ATOM 893 O LYS A 57 -4.232 -2.830 -12.586 1.00 0.00 O ATOM 894 CB LYS A 57 -1.047 -2.550 -13.216 1.00 0.00 C ATOM 895 CG LYS A 57 -0.961 -2.137 -14.676 1.00 0.00 C ATOM 896 CD LYS A 57 0.136 -1.109 -14.900 1.00 0.00 C ATOM 897 CE LYS A 57 -0.436 0.290 -15.059 1.00 0.00 C ATOM 898 NZ LYS A 57 -0.348 0.768 -16.466 1.00 0.00 N ATOM 0 H LYS A 57 -0.551 -1.483 -11.032 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.508 -1.000 -13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.070 -2.418 -12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.286 -3.612 -13.161 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.770 -3.015 -15.293 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.918 -1.725 -14.996 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.830 -1.126 -14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.707 -1.373 -15.790 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.478 0.295 -14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.102 0.979 -14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.748 1.726 -16.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.648 0.787 -16.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.882 0.125 -17.085 1.00 0.00 H new ATOM 912 N HIS A 58 -2.964 -3.300 -10.779 1.00 0.00 N ATOM 913 CA HIS A 58 -3.938 -4.196 -10.183 1.00 0.00 C ATOM 914 C HIS A 58 -5.182 -3.416 -9.779 1.00 0.00 C ATOM 915 O HIS A 58 -6.297 -3.936 -9.813 1.00 0.00 O ATOM 916 CB HIS A 58 -3.342 -4.894 -8.962 1.00 0.00 C ATOM 917 CG HIS A 58 -3.891 -6.267 -8.732 1.00 0.00 C ATOM 918 ND1 HIS A 58 -3.421 -7.385 -9.392 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.878 -6.703 -7.914 1.00 0.00 C ATOM 920 CE1 HIS A 58 -4.097 -8.447 -8.989 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.985 -8.060 -8.093 1.00 0.00 N ATOM 0 H HIS A 58 -2.108 -3.188 -10.236 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.213 -4.952 -10.918 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.261 -4.959 -9.083 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.528 -4.284 -8.078 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -2.670 -7.391 -10.082 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.471 -6.096 -7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -3.948 -9.459 -9.334 1.00 0.00 H new ATOM 983 N GLY A 63 -7.975 2.695 -5.990 1.00 0.00 N ATOM 984 CA GLY A 63 -6.596 2.822 -5.549 1.00 0.00 C ATOM 985 C GLY A 63 -6.255 1.887 -4.404 1.00 0.00 C ATOM 986 O GLY A 63 -7.138 1.270 -3.810 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.931 2.618 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.412 3.851 -5.239 1.00 0.00 H new ATOM 990 N SER A 64 -4.967 1.790 -4.093 1.00 0.00 N ATOM 991 CA SER A 64 -4.496 0.928 -3.013 1.00 0.00 C ATOM 992 C SER A 64 -3.899 1.760 -1.884 1.00 0.00 C ATOM 993 O SER A 64 -3.545 2.922 -2.081 1.00 0.00 O ATOM 994 CB SER A 64 -3.456 -0.063 -3.540 1.00 0.00 C ATOM 995 OG SER A 64 -2.249 0.019 -2.802 1.00 0.00 O ATOM 0 H SER A 64 -4.227 2.300 -4.575 1.00 0.00 H new ATOM 0 HA SER A 64 -5.348 0.372 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.853 -1.076 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.256 0.140 -4.592 1.00 0.00 H new ATOM 0 HG SER A 64 -1.603 -0.626 -3.159 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.775 1.163 -0.702 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.209 1.875 0.440 1.00 0.00 C ATOM 1003 C TRP A 65 -1.800 1.393 0.719 1.00 0.00 C ATOM 1004 O TRP A 65 -1.537 0.192 0.755 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.086 1.711 1.682 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.230 2.678 1.719 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.150 4.036 1.827 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.625 2.363 1.641 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.410 4.585 1.823 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.331 3.579 1.710 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.345 1.172 1.521 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.721 3.635 1.661 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.724 1.230 1.473 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.399 2.453 1.542 1.00 0.00 C ATOM 0 H TRP A 65 -4.055 0.201 -0.511 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.173 2.936 0.191 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.476 0.693 1.714 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.474 1.846 2.574 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.231 4.597 1.904 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.624 5.580 1.893 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.832 0.223 1.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.245 4.578 1.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.291 0.315 1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.478 2.464 1.500 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.894 2.343 0.898 1.00 0.00 N ATOM 1026 CA ILE A 66 0.499 2.028 1.154 1.00 0.00 C ATOM 1027 C ILE A 66 0.911 2.414 2.566 1.00 0.00 C ATOM 1028 O ILE A 66 0.198 3.136 3.261 1.00 0.00 O ATOM 1029 CB ILE A 66 1.421 2.725 0.139 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.689 4.171 0.558 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.797 2.671 -1.248 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.215 5.039 -0.563 1.00 0.00 C ATOM 0 H ILE A 66 -1.102 3.341 0.870 1.00 0.00 H new ATOM 0 HA ILE A 66 0.604 0.948 1.046 1.00 0.00 H new ATOM 0 HB ILE A 66 2.377 2.201 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.766 4.606 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.408 4.176 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.455 3.166 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.657 1.631 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.168 3.177 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.382 6.050 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.155 4.628 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.488 5.065 -1.375 1.00 0.00 H new ATOM 1044 N GLY A 67 2.067 1.917 2.975 1.00 0.00 N ATOM 1045 CA GLY A 67 2.581 2.197 4.299 1.00 0.00 C ATOM 1046 C GLY A 67 3.218 3.565 4.405 1.00 0.00 C ATOM 1047 O GLY A 67 4.382 3.685 4.783 1.00 0.00 O ATOM 0 H GLY A 67 2.665 1.318 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.769 2.123 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.316 1.438 4.566 1.00 0.00 H new ATOM 1051 N LEU A 68 2.458 4.596 4.065 1.00 0.00 N ATOM 1052 CA LEU A 68 2.968 5.960 4.124 1.00 0.00 C ATOM 1053 C LEU A 68 2.090 6.876 4.971 1.00 0.00 C ATOM 1054 O LEU A 68 0.889 7.008 4.736 1.00 0.00 O ATOM 1055 CB LEU A 68 3.087 6.543 2.714 1.00 0.00 C ATOM 1056 CG LEU A 68 4.011 7.759 2.583 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.399 8.983 3.246 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.374 7.459 3.178 1.00 0.00 C ATOM 0 H LEU A 68 1.492 4.516 3.747 1.00 0.00 H new ATOM 0 HA LEU A 68 3.950 5.907 4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.446 5.761 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.092 6.825 2.370 1.00 0.00 H new ATOM 0 HG LEU A 68 4.135 7.975 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.075 9.831 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.446 9.216 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.237 8.780 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.016 8.334 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.264 7.211 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.823 6.616 2.653 1.00 0.00 H new ATOM 1070 N ARG A 69 2.727 7.539 5.928 1.00 0.00 N ATOM 1071 CA ARG A 69 2.061 8.496 6.799 1.00 0.00 C ATOM 1072 C ARG A 69 2.977 9.700 7.017 1.00 0.00 C ATOM 1073 O ARG A 69 4.092 9.549 7.512 1.00 0.00 O ATOM 1074 CB ARG A 69 1.697 7.837 8.135 1.00 0.00 C ATOM 1075 CG ARG A 69 1.698 8.794 9.319 1.00 0.00 C ATOM 1076 CD ARG A 69 1.586 8.046 10.637 1.00 0.00 C ATOM 1077 NE ARG A 69 0.871 8.822 11.646 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.473 9.602 12.540 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.795 9.711 12.548 1.00 0.00 N ATOM 1080 NH2 ARG A 69 0.753 10.275 13.426 1.00 0.00 N ATOM 0 H ARG A 69 3.722 7.427 6.122 1.00 0.00 H new ATOM 0 HA ARG A 69 1.137 8.834 6.331 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.709 7.384 8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.401 7.029 8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.614 9.384 9.311 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.867 9.493 9.224 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.070 7.100 10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.584 7.806 11.004 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.147 8.763 11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.353 9.196 11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.253 10.310 13.235 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.264 10.195 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.216 10.873 14.111 1.00 0.00 H new ATOM 1094 N ASN A 70 2.517 10.890 6.647 1.00 0.00 N ATOM 1095 CA ASN A 70 3.330 12.093 6.811 1.00 0.00 C ATOM 1096 C ASN A 70 3.100 12.727 8.179 1.00 0.00 C ATOM 1097 O ASN A 70 2.008 12.638 8.739 1.00 0.00 O ATOM 1098 CB ASN A 70 3.030 13.102 5.700 1.00 0.00 C ATOM 1099 CG ASN A 70 3.799 14.398 5.863 1.00 0.00 C ATOM 1100 OD1 ASN A 70 4.915 14.411 6.380 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.204 15.499 5.420 1.00 0.00 N ATOM 0 H ASN A 70 1.597 11.049 6.236 1.00 0.00 H new ATOM 0 HA ASN A 70 4.378 11.801 6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.275 12.658 4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.962 13.317 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.674 16.401 5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.277 15.443 4.997 1.00 0.00 H new ATOM 1202 N PHE A 77 7.260 12.653 4.925 1.00 0.00 N ATOM 1203 CA PHE A 77 6.468 11.434 4.851 1.00 0.00 C ATOM 1204 C PHE A 77 7.236 10.266 5.455 1.00 0.00 C ATOM 1205 O PHE A 77 8.330 9.927 5.006 1.00 0.00 O ATOM 1206 CB PHE A 77 6.092 11.105 3.398 1.00 0.00 C ATOM 1207 CG PHE A 77 5.601 12.273 2.578 1.00 0.00 C ATOM 1208 CD1 PHE A 77 5.439 13.534 3.137 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.311 12.104 1.232 1.00 0.00 C ATOM 1210 CE1 PHE A 77 5.001 14.598 2.375 1.00 0.00 C ATOM 1211 CE2 PHE A 77 4.874 13.168 0.466 1.00 0.00 C ATOM 1212 CZ PHE A 77 4.719 14.414 1.037 1.00 0.00 C ATOM 0 HA PHE A 77 5.552 11.598 5.419 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.963 10.676 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.319 10.337 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.659 13.684 4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.428 11.131 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.879 15.572 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.654 13.024 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.377 15.245 0.437 1.00 0.00 H new ATOM 1222 N ILE A 78 6.657 9.663 6.481 1.00 0.00 N ATOM 1223 CA ILE A 78 7.274 8.539 7.160 1.00 0.00 C ATOM 1224 C ILE A 78 6.446 7.273 6.974 1.00 0.00 C ATOM 1225 O ILE A 78 5.219 7.315 6.997 1.00 0.00 O ATOM 1226 CB ILE A 78 7.452 8.838 8.661 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.920 9.184 8.949 1.00 0.00 C ATOM 1228 CG2 ILE A 78 6.963 7.672 9.514 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.635 8.211 9.866 1.00 0.00 C ATOM 0 H ILE A 78 5.752 9.938 6.863 1.00 0.00 H new ATOM 0 HA ILE A 78 8.257 8.380 6.717 1.00 0.00 H new ATOM 0 HB ILE A 78 6.841 9.700 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.459 9.233 8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.964 10.179 9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.100 7.910 10.569 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.906 7.495 9.317 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.533 6.776 9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.665 8.537 10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.126 8.178 10.829 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.629 7.217 9.418 1.00 0.00 H new ATOM 1241 N TRP A 79 7.124 6.150 6.793 1.00 0.00 N ATOM 1242 CA TRP A 79 6.442 4.876 6.604 1.00 0.00 C ATOM 1243 C TRP A 79 5.879 4.371 7.925 1.00 0.00 C ATOM 1244 O TRP A 79 6.411 4.671 8.992 1.00 0.00 O ATOM 1245 CB TRP A 79 7.401 3.827 6.026 1.00 0.00 C ATOM 1246 CG TRP A 79 7.943 4.170 4.667 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.710 5.306 3.948 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.816 3.362 3.869 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.382 5.253 2.751 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.069 4.070 2.679 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.410 2.108 4.045 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.888 3.566 1.671 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.223 1.610 3.046 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.456 2.338 1.871 1.00 0.00 C ATOM 0 H TRP A 79 8.142 6.093 6.773 1.00 0.00 H new ATOM 0 HA TRP A 79 5.624 5.036 5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.235 3.695 6.715 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.882 2.870 5.967 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.088 6.127 4.273 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.371 5.977 2.033 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.236 1.539 4.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.068 4.125 0.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.687 0.643 3.172 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.097 1.921 1.108 1.00 0.00 H new ATOM 1265 N VAL A 80 4.800 3.600 7.843 1.00 0.00 N ATOM 1266 CA VAL A 80 4.163 3.042 9.030 1.00 0.00 C ATOM 1267 C VAL A 80 5.148 2.165 9.799 1.00 0.00 C ATOM 1268 O VAL A 80 5.031 1.991 11.014 1.00 0.00 O ATOM 1269 CB VAL A 80 2.917 2.212 8.652 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.155 1.471 7.351 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.535 1.245 9.764 1.00 0.00 C ATOM 0 H VAL A 80 4.347 3.347 6.965 1.00 0.00 H new ATOM 0 HA VAL A 80 3.850 3.873 9.662 1.00 0.00 H new ATOM 0 HB VAL A 80 2.082 2.899 8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.269 0.890 7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.360 2.188 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.008 0.802 7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.654 0.677 9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.362 0.560 9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.315 1.805 10.673 1.00 0.00 H new ATOM 1281 N ASP A 81 6.124 1.621 9.080 1.00 0.00 N ATOM 1282 CA ASP A 81 7.138 0.765 9.682 1.00 0.00 C ATOM 1283 C ASP A 81 8.173 1.601 10.426 1.00 0.00 C ATOM 1284 O ASP A 81 9.065 1.065 11.085 1.00 0.00 O ATOM 1285 CB ASP A 81 7.823 -0.080 8.608 1.00 0.00 C ATOM 1286 CG ASP A 81 8.527 -1.292 9.188 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.872 -2.068 9.915 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.734 -1.465 8.913 1.00 0.00 O ATOM 0 H ASP A 81 6.234 1.759 8.075 1.00 0.00 H new ATOM 0 HA ASP A 81 6.648 0.102 10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.081 -0.408 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.546 0.535 8.072 1.00 0.00 H new ATOM 1293 N GLY A 82 8.041 2.918 10.320 1.00 0.00 N ATOM 1294 CA GLY A 82 8.959 3.816 10.989 1.00 0.00 C ATOM 1295 C GLY A 82 10.210 4.094 10.179 1.00 0.00 C ATOM 1296 O GLY A 82 11.312 4.139 10.728 1.00 0.00 O ATOM 0 H GLY A 82 7.310 3.380 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.451 4.758 11.197 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.243 3.387 11.950 1.00 0.00 H new ATOM 1300 N SER A 83 10.047 4.285 8.872 1.00 0.00 N ATOM 1301 CA SER A 83 11.182 4.562 7.997 1.00 0.00 C ATOM 1302 C SER A 83 10.844 5.648 6.981 1.00 0.00 C ATOM 1303 O SER A 83 9.864 5.542 6.250 1.00 0.00 O ATOM 1304 CB SER A 83 11.615 3.287 7.272 1.00 0.00 C ATOM 1305 OG SER A 83 13.021 3.120 7.329 1.00 0.00 O ATOM 0 H SER A 83 9.144 4.253 8.398 1.00 0.00 H new ATOM 0 HA SER A 83 12.004 4.919 8.618 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.125 2.424 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.293 3.329 6.232 1.00 0.00 H new ATOM 0 HG SER A 83 13.272 2.297 6.860 1.00 0.00 H new ATOM 1311 N HIS A 84 11.666 6.693 6.937 1.00 0.00 N ATOM 1312 CA HIS A 84 11.453 7.795 6.008 1.00 0.00 C ATOM 1313 C HIS A 84 11.468 7.303 4.564 1.00 0.00 C ATOM 1314 O HIS A 84 12.154 6.336 4.232 1.00 0.00 O ATOM 1315 CB HIS A 84 12.525 8.867 6.206 1.00 0.00 C ATOM 1316 CG HIS A 84 13.893 8.311 6.457 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.587 7.569 5.524 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.697 8.391 7.545 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.757 7.216 6.027 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.847 7.703 7.251 1.00 0.00 N ATOM 0 H HIS A 84 12.486 6.798 7.535 1.00 0.00 H new ATOM 0 HA HIS A 84 10.473 8.227 6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.558 9.503 5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.241 9.502 7.045 1.00 0.00 H new ATOM 0 HD1 HIS A 84 14.250 7.330 4.591 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.474 8.901 8.471 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.511 6.629 5.523 1.00 0.00 H new ATOM 1329 N VAL A 85 10.704 7.978 3.712 1.00 0.00 N ATOM 1330 CA VAL A 85 10.619 7.619 2.299 1.00 0.00 C ATOM 1331 C VAL A 85 11.996 7.633 1.640 1.00 0.00 C ATOM 1332 O VAL A 85 12.922 8.280 2.129 1.00 0.00 O ATOM 1333 CB VAL A 85 9.683 8.579 1.536 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.450 8.089 0.118 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.363 8.731 2.274 1.00 0.00 C ATOM 0 H VAL A 85 10.132 8.780 3.976 1.00 0.00 H new ATOM 0 HA VAL A 85 10.212 6.609 2.251 1.00 0.00 H new ATOM 0 HB VAL A 85 10.163 9.556 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.787 8.781 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.403 8.034 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.993 7.100 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.714 9.411 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.880 7.758 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.547 9.133 3.270 1.00 0.00 H new ATOM 1345 N ASP A 86 12.123 6.911 0.529 1.00 0.00 N ATOM 1346 CA ASP A 86 13.387 6.837 -0.195 1.00 0.00 C ATOM 1347 C ASP A 86 13.207 7.202 -1.667 1.00 0.00 C ATOM 1348 O ASP A 86 13.960 8.008 -2.211 1.00 0.00 O ATOM 1349 CB ASP A 86 13.981 5.432 -0.078 1.00 0.00 C ATOM 1350 CG ASP A 86 14.238 5.032 1.361 1.00 0.00 C ATOM 1351 OD1 ASP A 86 15.031 5.720 2.037 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.647 4.028 1.812 1.00 0.00 O ATOM 0 H ASP A 86 11.366 6.370 0.112 1.00 0.00 H new ATOM 0 HA ASP A 86 14.071 7.558 0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.301 4.714 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.916 5.388 -0.637 1.00 0.00 H new ATOM 1357 N TYR A 87 12.210 6.597 -2.310 1.00 0.00 N ATOM 1358 CA TYR A 87 11.945 6.857 -3.722 1.00 0.00 C ATOM 1359 C TYR A 87 10.748 7.785 -3.904 1.00 0.00 C ATOM 1360 O TYR A 87 10.807 8.737 -4.683 1.00 0.00 O ATOM 1361 CB TYR A 87 11.703 5.542 -4.467 1.00 0.00 C ATOM 1362 CG TYR A 87 12.968 4.754 -4.729 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.704 4.953 -5.889 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.424 3.814 -3.815 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.860 4.235 -6.132 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.580 3.092 -4.050 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.293 3.306 -5.209 1.00 0.00 C ATOM 1368 OH TYR A 87 16.443 2.590 -5.448 1.00 0.00 O ATOM 0 H TYR A 87 11.575 5.926 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 87 12.823 7.351 -4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.015 4.927 -3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.215 5.757 -5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.368 5.680 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.867 3.644 -2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.421 4.401 -7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 87 14.922 2.364 -3.329 1.00 0.00 H new ATOM 0 HH TYR A 87 16.609 1.979 -4.700 1.00 0.00 H new ATOM 1378 N SER A 88 9.667 7.495 -3.184 1.00 0.00 N ATOM 1379 CA SER A 88 8.442 8.293 -3.260 1.00 0.00 C ATOM 1380 C SER A 88 7.876 8.297 -4.678 1.00 0.00 C ATOM 1381 O SER A 88 8.598 8.057 -5.645 1.00 0.00 O ATOM 1382 CB SER A 88 8.695 9.728 -2.792 1.00 0.00 C ATOM 1383 OG SER A 88 10.055 9.932 -2.446 1.00 0.00 O ATOM 0 H SER A 88 9.613 6.708 -2.537 1.00 0.00 H new ATOM 0 HA SER A 88 7.709 7.834 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.411 10.424 -3.581 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.063 9.947 -1.931 1.00 0.00 H new ATOM 0 HG SER A 88 10.183 10.858 -2.153 1.00 0.00 H new ATOM 1389 N ASN A 89 6.575 8.556 -4.801 1.00 0.00 N ATOM 1390 CA ASN A 89 5.928 8.569 -6.108 1.00 0.00 C ATOM 1391 C ASN A 89 4.896 9.694 -6.240 1.00 0.00 C ATOM 1392 O ASN A 89 4.436 9.972 -7.348 1.00 0.00 O ATOM 1393 CB ASN A 89 5.240 7.227 -6.362 1.00 0.00 C ATOM 1394 CG ASN A 89 6.201 6.114 -6.726 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.356 6.357 -7.073 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.715 4.879 -6.652 1.00 0.00 N ATOM 0 H ASN A 89 5.954 8.758 -4.017 1.00 0.00 H new ATOM 0 HA ASN A 89 6.709 8.744 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.684 6.939 -5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.514 7.347 -7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.307 4.083 -6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.750 4.727 -6.359 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.742 11.024 4.496 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.533 9.684 3.969 1.00 0.00 C ATOM 1600 C CYS A 104 -1.399 9.726 2.452 1.00 0.00 C ATOM 1601 O CYS A 104 -1.942 10.614 1.793 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.693 8.769 4.364 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.311 9.034 6.058 1.00 0.00 S ATOM 0 HA CYS A 104 -0.611 9.287 4.394 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.514 8.918 3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.373 7.732 4.264 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.239 7.921 6.725 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.672 8.764 1.903 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.466 8.692 0.467 1.00 0.00 C ATOM 1610 C VAL A 105 -1.351 7.622 -0.162 1.00 0.00 C ATOM 1611 O VAL A 105 -1.528 6.535 0.389 1.00 0.00 O ATOM 1612 CB VAL A 105 1.012 8.414 0.126 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.171 8.015 -1.331 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.860 9.637 0.429 1.00 0.00 C ATOM 0 H VAL A 105 -0.215 8.022 2.433 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.741 9.662 0.053 1.00 0.00 H new ATOM 0 HB VAL A 105 1.351 7.583 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.223 7.825 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.593 7.112 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.812 8.821 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.901 9.428 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.509 10.480 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.779 9.883 1.488 1.00 0.00 H new ATOM 1624 N MET A 106 -1.905 7.951 -1.320 1.00 0.00 N ATOM 1625 CA MET A 106 -2.780 7.049 -2.051 1.00 0.00 C ATOM 1626 C MET A 106 -2.183 6.722 -3.412 1.00 0.00 C ATOM 1627 O MET A 106 -1.222 7.351 -3.843 1.00 0.00 O ATOM 1628 CB MET A 106 -4.164 7.677 -2.224 1.00 0.00 C ATOM 1629 CG MET A 106 -4.150 8.972 -3.020 1.00 0.00 C ATOM 1630 SD MET A 106 -5.770 9.389 -3.694 1.00 0.00 S ATOM 1631 CE MET A 106 -6.043 8.009 -4.803 1.00 0.00 C ATOM 0 H MET A 106 -1.760 8.851 -1.778 1.00 0.00 H new ATOM 0 HA MET A 106 -2.881 6.126 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.819 6.962 -2.722 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.592 7.870 -1.240 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.807 9.784 -2.379 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.432 8.885 -3.836 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.127 8.376 -5.826 1.00 0.00 H new ATOM 0 HE2 MET A 106 -5.205 7.315 -4.734 1.00 0.00 H new ATOM 0 HE3 MET A 106 -6.963 7.495 -4.525 1.00 0.00 H new ATOM 1641 N MET A 107 -2.751 5.733 -4.083 1.00 0.00 N ATOM 1642 CA MET A 107 -2.264 5.331 -5.396 1.00 0.00 C ATOM 1643 C MET A 107 -3.395 5.372 -6.420 1.00 0.00 C ATOM 1644 O MET A 107 -4.469 4.814 -6.191 1.00 0.00 O ATOM 1645 CB MET A 107 -1.662 3.922 -5.316 1.00 0.00 C ATOM 1646 CG MET A 107 -1.738 3.139 -6.613 1.00 0.00 C ATOM 1647 SD MET A 107 -3.263 2.187 -6.768 1.00 0.00 S ATOM 1648 CE MET A 107 -3.803 2.679 -8.403 1.00 0.00 C ATOM 0 H MET A 107 -3.547 5.194 -3.743 1.00 0.00 H new ATOM 0 HA MET A 107 -1.490 6.029 -5.716 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.618 4.002 -5.013 1.00 0.00 H new ATOM 0 HB3 MET A 107 -2.178 3.362 -4.536 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.659 3.829 -7.453 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.885 2.463 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.301 1.840 -8.889 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.498 3.515 -8.321 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.940 2.982 -8.996 1.00 0.00 H new ATOM 1707 N ARG A 112 0.371 6.021 -10.436 1.00 0.00 N ATOM 1708 CA ARG A 112 1.401 6.251 -9.431 1.00 0.00 C ATOM 1709 C ARG A 112 0.779 6.565 -8.072 1.00 0.00 C ATOM 1710 O ARG A 112 -0.290 6.057 -7.732 1.00 0.00 O ATOM 1711 CB ARG A 112 2.322 7.395 -9.869 1.00 0.00 C ATOM 1712 CG ARG A 112 1.618 8.492 -10.658 1.00 0.00 C ATOM 1713 CD ARG A 112 0.592 9.226 -9.808 1.00 0.00 C ATOM 1714 NE ARG A 112 -0.026 10.334 -10.531 1.00 0.00 N ATOM 1715 CZ ARG A 112 -1.138 10.945 -10.133 1.00 0.00 C ATOM 1716 NH1 ARG A 112 -1.753 10.555 -9.025 1.00 0.00 N ATOM 1717 NH2 ARG A 112 -1.636 11.946 -10.845 1.00 0.00 N ATOM 0 HA ARG A 112 1.990 5.339 -9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.782 7.836 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.129 6.985 -10.477 1.00 0.00 H new ATOM 0 HG2 ARG A 112 2.356 9.202 -11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.126 8.056 -11.527 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.180 8.527 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.073 9.605 -8.906 1.00 0.00 H new ATOM 0 HE ARG A 112 0.420 10.657 -11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.373 9.784 -8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.606 11.026 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.166 12.248 -11.699 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.489 12.414 -10.539 1.00 0.00 H new ATOM 1731 N TRP A 113 1.458 7.409 -7.306 1.00 0.00 N ATOM 1732 CA TRP A 113 0.996 7.811 -5.989 1.00 0.00 C ATOM 1733 C TRP A 113 0.511 9.242 -5.998 1.00 0.00 C ATOM 1734 O TRP A 113 0.899 10.046 -6.846 1.00 0.00 O ATOM 1735 CB TRP A 113 2.118 7.777 -4.959 1.00 0.00 C ATOM 1736 CG TRP A 113 2.695 6.444 -4.640 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.497 5.254 -5.277 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.614 6.197 -3.585 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.251 4.275 -4.670 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.942 4.832 -3.622 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.187 7.014 -2.609 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.830 4.259 -2.713 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.067 6.448 -1.706 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.382 5.081 -1.763 1.00 0.00 C ATOM 0 H TRP A 113 2.344 7.833 -7.582 1.00 0.00 H new ATOM 0 HA TRP A 113 0.202 7.110 -5.733 1.00 0.00 H new ATOM 0 HB2 TRP A 113 2.924 8.420 -5.313 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.743 8.215 -4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.848 5.103 -6.127 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.290 3.296 -4.953 1.00 0.00 H new ATOM 0 HE3 TRP A 113 3.948 8.066 -2.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.074 3.208 -2.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.519 7.067 -0.945 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.074 4.668 -1.044 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.274 9.566 -4.993 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.746 10.916 -4.806 1.00 0.00 C ATOM 1757 C ASN A 114 -0.718 11.226 -3.320 1.00 0.00 C ATOM 1758 O ASN A 114 -1.374 10.560 -2.521 1.00 0.00 O ATOM 1759 CB ASN A 114 -2.161 11.079 -5.360 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.397 12.457 -5.946 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.969 13.465 -5.383 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -3.083 12.507 -7.082 1.00 0.00 N ATOM 0 H ASN A 114 -0.600 8.904 -4.288 1.00 0.00 H new ATOM 0 HA ASN A 114 -0.102 11.610 -5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.337 10.326 -6.128 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.883 10.897 -4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -3.274 13.407 -7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -3.419 11.646 -7.513 1.00 0.00 H new ATOM 1769 N ASP A 115 0.052 12.235 -2.958 1.00 0.00 N ATOM 1770 CA ASP A 115 0.182 12.637 -1.571 1.00 0.00 C ATOM 1771 C ASP A 115 -0.953 13.572 -1.168 1.00 0.00 C ATOM 1772 O ASP A 115 -1.182 14.599 -1.806 1.00 0.00 O ATOM 1773 CB ASP A 115 1.533 13.313 -1.351 1.00 0.00 C ATOM 1774 CG ASP A 115 1.767 13.650 0.107 1.00 0.00 C ATOM 1775 OD1 ASP A 115 1.920 12.710 0.916 1.00 0.00 O ATOM 1776 OD2 ASP A 115 1.792 14.852 0.442 1.00 0.00 O ATOM 0 H ASP A 115 0.600 12.795 -3.611 1.00 0.00 H new ATOM 0 HA ASP A 115 0.124 11.747 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.329 12.657 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.584 14.224 -1.947 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.662 13.202 -0.107 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.774 13.992 0.384 1.00 0.00 C ATOM 1783 C ALA A 116 -2.850 13.942 1.904 1.00 0.00 C ATOM 1784 O ALA A 116 -2.266 13.065 2.538 1.00 0.00 O ATOM 1785 CB ALA A 116 -4.079 13.509 -0.231 1.00 0.00 C ATOM 0 H ALA A 116 -1.481 12.353 0.429 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.611 15.028 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.905 14.112 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.027 13.604 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.241 12.464 0.034 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.910 5.974 -1.488 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.581 4.974 -2.499 1.00 0.00 C ATOM 1881 C LEU A 122 -10.657 3.891 -2.554 1.00 0.00 C ATOM 1882 O LEU A 122 -11.843 4.181 -2.398 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.215 4.354 -2.203 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.038 5.327 -2.274 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.829 6.009 -0.932 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.774 4.604 -2.706 1.00 0.00 C ATOM 0 HA LEU A 122 -9.539 5.465 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.241 3.910 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.040 3.542 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.268 6.091 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.987 6.698 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.729 6.561 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.621 5.257 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.947 5.312 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.540 3.819 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.926 4.161 -3.690 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.243 2.646 -2.778 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.201 1.558 -2.848 1.00 0.00 C ATOM 1900 C GLY A 123 -10.558 0.188 -2.746 1.00 0.00 C ATOM 1901 O GLY A 123 -11.221 -0.826 -2.967 1.00 0.00 O ATOM 0 H GLY A 123 -9.269 2.374 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.929 1.671 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.750 1.626 -3.787 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.272 0.146 -2.409 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.567 -1.123 -2.281 1.00 0.00 C ATOM 1907 C ALA A 124 -7.524 -1.063 -1.179 1.00 0.00 C ATOM 1908 O ALA A 124 -6.772 -0.094 -1.076 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.925 -1.512 -3.604 1.00 0.00 C ATOM 0 H ALA A 124 -8.701 0.970 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.296 -1.887 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.403 -2.462 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.697 -1.611 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.215 -0.742 -3.904 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.475 -2.109 -0.358 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.511 -2.166 0.730 1.00 0.00 C ATOM 1917 C TRP A 125 -5.407 -3.158 0.407 1.00 0.00 C ATOM 1918 O TRP A 125 -5.655 -4.349 0.222 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.187 -2.512 2.065 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.002 -3.774 2.050 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -8.993 -4.107 1.172 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -7.908 -4.862 2.978 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.512 -5.338 1.490 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -8.863 -5.821 2.595 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -7.104 -5.118 4.092 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -9.038 -7.016 3.288 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -7.279 -6.305 4.780 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -8.239 -7.241 4.376 1.00 0.00 C ATOM 0 H TRP A 125 -8.088 -2.921 -0.427 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.068 -1.176 0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.419 -2.602 2.833 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.832 -1.683 2.355 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.321 -3.492 0.347 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.259 -5.815 0.985 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -6.360 -4.402 4.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -9.778 -7.739 2.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -6.665 -6.514 5.644 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -8.351 -8.159 4.934 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.186 -2.647 0.325 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.033 -3.463 0.005 1.00 0.00 C ATOM 1941 C VAL A 126 -2.098 -3.570 1.211 1.00 0.00 C ATOM 1942 O VAL A 126 -1.831 -2.583 1.897 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.278 -2.874 -1.204 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.840 -3.324 -1.218 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.950 -3.265 -2.503 1.00 0.00 C ATOM 0 H VAL A 126 -3.972 -1.661 0.478 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.381 -4.463 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.302 -1.789 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.332 -2.893 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.346 -2.993 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.800 -4.412 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.399 -2.838 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.963 -4.351 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.973 -2.888 -2.511 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.626 -4.784 1.465 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.738 -5.065 2.589 1.00 0.00 C ATOM 1957 C CYS A 127 0.400 -5.973 2.153 1.00 0.00 C ATOM 1958 O CYS A 127 0.340 -6.575 1.088 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.509 -5.721 3.736 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.209 -5.104 3.944 1.00 0.00 S ATOM 0 H CYS A 127 -1.847 -5.603 0.898 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.325 -4.118 2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.544 -6.797 3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.961 -5.562 4.665 1.00 0.00 H new ATOM 1965 N ASP A 128 1.438 -6.070 2.972 1.00 0.00 N ATOM 1966 CA ASP A 128 2.566 -6.919 2.650 1.00 0.00 C ATOM 1967 C ASP A 128 2.845 -7.886 3.792 1.00 0.00 C ATOM 1968 O ASP A 128 2.705 -7.544 4.964 1.00 0.00 O ATOM 1969 CB ASP A 128 3.806 -6.074 2.369 1.00 0.00 C ATOM 1970 CG ASP A 128 4.355 -5.415 3.619 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.795 -4.382 4.042 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.346 -5.934 4.176 1.00 0.00 O ATOM 0 H ASP A 128 1.518 -5.572 3.859 1.00 0.00 H new ATOM 0 HA ASP A 128 2.320 -7.491 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.578 -6.703 1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.560 -5.306 1.636 1.00 0.00 H new ATOM 1977 N ARG A 129 3.242 -9.094 3.431 1.00 0.00 N ATOM 1978 CA ARG A 129 3.547 -10.132 4.403 1.00 0.00 C ATOM 1979 C ARG A 129 4.473 -11.167 3.786 1.00 0.00 C ATOM 1980 O ARG A 129 4.541 -11.291 2.567 1.00 0.00 O ATOM 1981 CB ARG A 129 2.262 -10.801 4.893 1.00 0.00 C ATOM 1982 CG ARG A 129 1.381 -11.322 3.769 1.00 0.00 C ATOM 1983 CD ARG A 129 1.280 -12.839 3.799 1.00 0.00 C ATOM 1984 NE ARG A 129 0.227 -13.301 4.699 1.00 0.00 N ATOM 1985 CZ ARG A 129 0.243 -14.482 5.309 1.00 0.00 C ATOM 1986 NH1 ARG A 129 1.252 -15.318 5.115 1.00 0.00 N ATOM 1987 NH2 ARG A 129 -0.753 -14.828 6.114 1.00 0.00 N ATOM 0 H ARG A 129 3.362 -9.383 2.460 1.00 0.00 H new ATOM 0 HA ARG A 129 4.046 -9.674 5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.522 -11.629 5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.694 -10.086 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.385 -10.888 3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.786 -11.002 2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.084 -13.209 2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.235 -13.260 4.113 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.566 -12.682 4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.019 -15.056 4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.262 -16.223 5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.532 -14.188 6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.740 -15.734 6.581 1.00 0.00 H new ATOM 2001 N LEU A 130 5.178 -11.912 4.621 1.00 0.00 N ATOM 2002 CA LEU A 130 6.088 -12.935 4.126 1.00 0.00 C ATOM 2003 C LEU A 130 5.314 -14.111 3.542 1.00 0.00 C ATOM 2004 O LEU A 130 4.358 -14.602 4.144 1.00 0.00 O ATOM 2005 CB LEU A 130 7.023 -13.401 5.244 1.00 0.00 C ATOM 2006 CG LEU A 130 8.281 -12.543 5.450 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.511 -13.275 4.940 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.143 -11.188 4.761 1.00 0.00 C ATOM 0 H LEU A 130 5.140 -11.830 5.637 1.00 0.00 H new ATOM 0 HA LEU A 130 6.693 -12.502 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.462 -13.424 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.332 -14.425 5.033 1.00 0.00 H new ATOM 0 HG LEU A 130 8.397 -12.366 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.394 -12.654 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.628 -14.212 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.395 -13.485 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.048 -10.603 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.995 -11.337 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.287 -10.655 5.175 1.00 0.00 H new ATOM 2020 N ALA A 131 5.727 -14.548 2.354 1.00 0.00 N ATOM 2021 CA ALA A 131 5.072 -15.657 1.667 1.00 0.00 C ATOM 2022 C ALA A 131 5.086 -16.929 2.506 1.00 0.00 C ATOM 2023 O ALA A 131 5.582 -16.941 3.633 1.00 0.00 O ATOM 2024 CB ALA A 131 5.737 -15.904 0.321 1.00 0.00 C ATOM 0 H ALA A 131 6.516 -14.148 1.846 1.00 0.00 H new ATOM 0 HA ALA A 131 4.030 -15.381 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.241 -16.733 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.659 -15.007 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.788 -16.149 0.474 1.00 0.00 H new