USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=15 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= -6.06! C(o=-17!,f=-16!) USER MOD Set 1.2: A 56 THR OG1 : rot 99:sc= -2.27 USER MOD Set 1.3: A 107 MET CE :methyl -126:sc= -9.11! (180deg=-5.62!) USER MOD Set 2.1: A 106 MET CE :methyl -166:sc= -0.174 (180deg=0) USER MOD Set 2.2: A 114 ASN : amide:sc= -0.17 K(o=-0.34,f=-1.3) USER MOD Set 3.1: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.00051) USER MOD Single : A 7 THR OG1 : rot -49:sc= 0.106 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.84 K(o=-1.8,f=-0.5) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) 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 109:sc= 0.81 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= -2.27! C(o=-2.3!,f=-4.3!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 70 ASN : amide:sc= -0.188 K(o=-0.19,f=-0.85) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.27) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -142:sc= -0.817 USER MOD Single : A 89 ASN : amide:sc= -3.97! K(o=-4!,f=-0.93) USER MOD Single : A 104 CYS SG : rot 27:sc= 0.00222 USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.451 -18.595 -1.183 1.00 0.00 N ATOM 82 CA THR A 7 0.317 -17.791 -0.743 1.00 0.00 C ATOM 83 C THR A 7 0.051 -16.644 -1.713 1.00 0.00 C ATOM 84 O THR A 7 -0.756 -15.759 -1.433 1.00 0.00 O ATOM 85 CB THR A 7 0.572 -17.236 0.661 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.647 -16.878 1.287 1.00 0.00 O ATOM 87 CG2 THR A 7 1.470 -16.015 0.674 1.00 0.00 C ATOM 0 HA THR A 7 -0.563 -18.434 -0.719 1.00 0.00 H new ATOM 0 HB THR A 7 1.074 -18.040 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.182 -16.333 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.608 -15.675 1.701 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.438 -16.271 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.011 -15.219 0.087 1.00 0.00 H new ATOM 95 N CYS A 8 0.739 -16.663 -2.850 1.00 0.00 N ATOM 96 CA CYS A 8 0.577 -15.617 -3.851 1.00 0.00 C ATOM 97 C CYS A 8 0.031 -16.179 -5.162 1.00 0.00 C ATOM 98 O CYS A 8 0.782 -16.401 -6.113 1.00 0.00 O ATOM 99 CB CYS A 8 1.909 -14.906 -4.092 1.00 0.00 C ATOM 100 SG CYS A 8 2.917 -14.697 -2.586 1.00 0.00 S ATOM 0 H CYS A 8 1.411 -17.388 -3.100 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.147 -14.897 -3.470 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.483 -15.470 -4.827 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.713 -13.925 -4.526 1.00 0.00 H new ATOM 105 N PRO A 9 -1.293 -16.414 -5.231 1.00 0.00 N ATOM 106 CA PRO A 9 -1.939 -16.949 -6.431 1.00 0.00 C ATOM 107 C PRO A 9 -2.104 -15.898 -7.526 1.00 0.00 C ATOM 108 O PRO A 9 -1.458 -15.973 -8.571 1.00 0.00 O ATOM 109 CB PRO A 9 -3.302 -17.412 -5.916 1.00 0.00 C ATOM 110 CG PRO A 9 -3.591 -16.527 -4.752 1.00 0.00 C ATOM 111 CD PRO A 9 -2.260 -16.178 -4.140 1.00 0.00 C ATOM 0 HA PRO A 9 -1.350 -17.741 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.068 -17.317 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.277 -18.460 -5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.120 -15.628 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.230 -17.034 -4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.235 -15.142 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.043 -16.802 -3.273 1.00 0.00 H new ATOM 119 N GLU A 10 -2.975 -14.924 -7.282 1.00 0.00 N ATOM 120 CA GLU A 10 -3.229 -13.861 -8.250 1.00 0.00 C ATOM 121 C GLU A 10 -3.052 -12.484 -7.615 1.00 0.00 C ATOM 122 O GLU A 10 -2.035 -11.822 -7.821 1.00 0.00 O ATOM 123 CB GLU A 10 -4.640 -13.990 -8.830 1.00 0.00 C ATOM 124 CG GLU A 10 -5.267 -15.359 -8.622 1.00 0.00 C ATOM 125 CD GLU A 10 -6.149 -15.779 -9.782 1.00 0.00 C ATOM 126 OE1 GLU A 10 -7.312 -15.327 -9.836 1.00 0.00 O ATOM 127 OE2 GLU A 10 -5.676 -16.558 -10.636 1.00 0.00 O ATOM 0 H GLU A 10 -3.518 -14.848 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.502 -13.964 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.280 -13.235 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.605 -13.776 -9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.478 -16.099 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.858 -15.348 -7.706 1.00 0.00 H new ATOM 134 N LYS A 11 -4.053 -12.061 -6.849 1.00 0.00 N ATOM 135 CA LYS A 11 -4.017 -10.761 -6.183 1.00 0.00 C ATOM 136 C LYS A 11 -2.718 -10.586 -5.404 1.00 0.00 C ATOM 137 O LYS A 11 -2.114 -9.515 -5.412 1.00 0.00 O ATOM 138 CB LYS A 11 -5.214 -10.612 -5.243 1.00 0.00 C ATOM 139 CG LYS A 11 -6.548 -10.900 -5.910 1.00 0.00 C ATOM 140 CD LYS A 11 -7.711 -10.639 -4.966 1.00 0.00 C ATOM 141 CE LYS A 11 -8.733 -9.701 -5.587 1.00 0.00 C ATOM 142 NZ LYS A 11 -10.074 -10.336 -5.702 1.00 0.00 N ATOM 0 H LYS A 11 -4.901 -12.600 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.068 -9.987 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.087 -11.287 -4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.228 -9.598 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.653 -10.278 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.573 -11.938 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.191 -11.583 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.337 -10.208 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.810 -8.797 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.391 -9.395 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.741 -9.663 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.006 -11.184 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.413 -10.605 -4.756 1.00 0.00 H new ATOM 156 N TRP A 12 -2.293 -11.652 -4.737 1.00 0.00 N ATOM 157 CA TRP A 12 -1.065 -11.631 -3.958 1.00 0.00 C ATOM 158 C TRP A 12 0.151 -11.607 -4.882 1.00 0.00 C ATOM 159 O TRP A 12 0.127 -12.195 -5.964 1.00 0.00 O ATOM 160 CB TRP A 12 -0.995 -12.854 -3.042 1.00 0.00 C ATOM 161 CG TRP A 12 -2.023 -12.856 -1.952 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.378 -12.780 -2.099 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.776 -12.947 -0.544 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.989 -12.815 -0.869 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.027 -12.919 0.102 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.620 -13.049 0.234 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.153 -12.990 1.486 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.745 -13.120 1.609 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.004 -13.090 2.223 1.00 0.00 C ATOM 0 H TRP A 12 -2.785 -12.545 -4.721 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.062 -10.729 -3.346 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.117 -13.754 -3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.003 -12.903 -2.593 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.894 -12.704 -3.044 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.995 -12.771 -0.705 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.355 -13.072 -0.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.122 -12.967 1.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.142 -13.200 2.220 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.069 -13.147 3.300 1.00 0.00 H new ATOM 180 N ILE A 13 1.207 -10.926 -4.454 1.00 0.00 N ATOM 181 CA ILE A 13 2.427 -10.830 -5.250 1.00 0.00 C ATOM 182 C ILE A 13 3.675 -11.018 -4.390 1.00 0.00 C ATOM 183 O ILE A 13 3.860 -10.324 -3.395 1.00 0.00 O ATOM 184 CB ILE A 13 2.527 -9.471 -5.970 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.184 -8.724 -5.927 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.993 -9.672 -7.401 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.267 -9.021 -7.100 1.00 0.00 C ATOM 0 H ILE A 13 1.245 -10.433 -3.562 1.00 0.00 H new ATOM 0 HA ILE A 13 2.374 -11.629 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 13 3.262 -8.856 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.667 -8.982 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.379 -7.652 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.060 -8.706 -7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.973 -10.150 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.281 -10.305 -7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.658 -8.454 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.761 -8.736 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.039 -10.087 -7.123 1.00 0.00 H new ATOM 199 N ASN A 14 4.533 -11.957 -4.787 1.00 0.00 N ATOM 200 CA ASN A 14 5.766 -12.237 -4.054 1.00 0.00 C ATOM 201 C ASN A 14 6.986 -11.711 -4.802 1.00 0.00 C ATOM 202 O ASN A 14 6.975 -11.601 -6.029 1.00 0.00 O ATOM 203 CB ASN A 14 5.913 -13.736 -3.802 1.00 0.00 C ATOM 204 CG ASN A 14 7.258 -14.096 -3.199 1.00 0.00 C ATOM 205 OD1 ASN A 14 8.124 -14.653 -3.873 1.00 0.00 O ATOM 206 ND2 ASN A 14 7.439 -13.778 -1.923 1.00 0.00 N ATOM 0 H ASN A 14 4.396 -12.538 -5.614 1.00 0.00 H new ATOM 0 HA ASN A 14 5.705 -11.721 -3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.119 -14.068 -3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.785 -14.273 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.324 -13.995 -1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.694 -13.317 -1.402 1.00 0.00 H new ATOM 213 N PHE A 15 8.034 -11.377 -4.053 1.00 0.00 N ATOM 214 CA PHE A 15 9.261 -10.852 -4.641 1.00 0.00 C ATOM 215 C PHE A 15 10.486 -11.596 -4.108 1.00 0.00 C ATOM 216 O PHE A 15 10.531 -12.826 -4.132 1.00 0.00 O ATOM 217 CB PHE A 15 9.382 -9.354 -4.354 1.00 0.00 C ATOM 218 CG PHE A 15 8.080 -8.615 -4.463 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.666 -8.085 -5.675 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.269 -8.453 -3.353 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.466 -7.406 -5.775 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.070 -7.775 -3.446 1.00 0.00 C ATOM 223 CZ PHE A 15 5.667 -7.250 -4.659 1.00 0.00 C ATOM 0 H PHE A 15 8.057 -11.461 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 15 9.216 -11.004 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.786 -9.216 -3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.098 -8.916 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.287 -8.204 -6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.578 -8.862 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.153 -6.998 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.448 -7.655 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.730 -6.719 -4.734 1.00 0.00 H new ATOM 233 N GLN A 16 11.479 -10.843 -3.630 1.00 0.00 N ATOM 234 CA GLN A 16 12.702 -11.432 -3.096 1.00 0.00 C ATOM 235 C GLN A 16 12.386 -12.520 -2.076 1.00 0.00 C ATOM 236 O GLN A 16 12.988 -13.593 -2.095 1.00 0.00 O ATOM 237 CB GLN A 16 13.575 -10.353 -2.453 1.00 0.00 C ATOM 238 CG GLN A 16 12.802 -9.398 -1.557 1.00 0.00 C ATOM 239 CD GLN A 16 13.179 -7.948 -1.790 1.00 0.00 C ATOM 240 OE1 GLN A 16 14.250 -7.500 -1.382 1.00 0.00 O ATOM 241 NE2 GLN A 16 12.296 -7.205 -2.447 1.00 0.00 N ATOM 0 H GLN A 16 11.457 -9.824 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 16 13.246 -11.885 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.359 -10.833 -1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.069 -9.781 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.734 -9.525 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.986 -9.655 -0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.420 -7.618 -2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.494 -6.221 -2.631 1.00 0.00 H new ATOM 250 N ARG A 17 11.436 -12.240 -1.187 1.00 0.00 N ATOM 251 CA ARG A 17 11.046 -13.204 -0.167 1.00 0.00 C ATOM 252 C ARG A 17 9.739 -12.806 0.509 1.00 0.00 C ATOM 253 O ARG A 17 9.230 -13.529 1.366 1.00 0.00 O ATOM 254 CB ARG A 17 12.152 -13.349 0.880 1.00 0.00 C ATOM 255 CG ARG A 17 12.657 -12.021 1.419 1.00 0.00 C ATOM 256 CD ARG A 17 13.225 -12.169 2.821 1.00 0.00 C ATOM 257 NE ARG A 17 14.349 -11.267 3.055 1.00 0.00 N ATOM 258 CZ ARG A 17 15.296 -11.488 3.962 1.00 0.00 C ATOM 259 NH1 ARG A 17 15.254 -12.577 4.718 1.00 0.00 N ATOM 260 NH2 ARG A 17 16.285 -10.619 4.115 1.00 0.00 N ATOM 0 H ARG A 17 10.926 -11.358 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 17 10.892 -14.163 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.779 -13.950 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.987 -13.895 0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.425 -11.626 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.842 -11.298 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.442 -11.969 3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.549 -13.199 2.974 1.00 0.00 H new ATOM 0 HE ARG A 17 14.411 -10.419 2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.494 -13.248 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.982 -12.744 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.320 -9.780 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.011 -10.790 4.811 1.00 0.00 H new ATOM 274 N LYS A 18 9.193 -11.661 0.117 1.00 0.00 N ATOM 275 CA LYS A 18 7.944 -11.184 0.685 1.00 0.00 C ATOM 276 C LYS A 18 6.846 -11.179 -0.355 1.00 0.00 C ATOM 277 O LYS A 18 7.100 -11.140 -1.554 1.00 0.00 O ATOM 278 CB LYS A 18 8.090 -9.780 1.254 1.00 0.00 C ATOM 279 CG LYS A 18 8.318 -8.721 0.195 1.00 0.00 C ATOM 280 CD LYS A 18 9.632 -7.994 0.415 1.00 0.00 C ATOM 281 CE LYS A 18 9.408 -6.598 0.971 1.00 0.00 C ATOM 282 NZ LYS A 18 10.684 -5.842 1.106 1.00 0.00 N ATOM 0 H LYS A 18 9.597 -11.048 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 18 7.681 -11.868 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.192 -9.530 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.923 -9.766 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.317 -9.184 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.497 -8.005 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.255 -8.566 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.176 -7.929 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.730 -6.051 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.923 -6.669 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.488 -4.895 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.322 -6.350 1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.135 -5.752 0.173 1.00 0.00 H new ATOM 296 N CYS A 19 5.627 -11.203 0.129 1.00 0.00 N ATOM 297 CA CYS A 19 4.459 -11.188 -0.726 1.00 0.00 C ATOM 298 C CYS A 19 3.556 -10.024 -0.352 1.00 0.00 C ATOM 299 O CYS A 19 3.723 -9.413 0.702 1.00 0.00 O ATOM 300 CB CYS A 19 3.698 -12.513 -0.627 1.00 0.00 C ATOM 301 SG CYS A 19 2.513 -12.800 -1.983 1.00 0.00 S ATOM 0 H CYS A 19 5.414 -11.233 1.126 1.00 0.00 H new ATOM 0 HA CYS A 19 4.785 -11.062 -1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.418 -13.332 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.161 -12.540 0.321 1.00 0.00 H new ATOM 306 N TYR A 20 2.604 -9.721 -1.216 1.00 0.00 N ATOM 307 CA TYR A 20 1.675 -8.628 -0.979 1.00 0.00 C ATOM 308 C TYR A 20 0.249 -9.136 -1.040 1.00 0.00 C ATOM 309 O TYR A 20 -0.116 -9.867 -1.955 1.00 0.00 O ATOM 310 CB TYR A 20 1.841 -7.526 -2.034 1.00 0.00 C ATOM 311 CG TYR A 20 2.977 -6.554 -1.788 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.006 -6.839 -0.898 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.011 -5.338 -2.460 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.034 -5.939 -0.686 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.032 -4.434 -2.254 1.00 0.00 C ATOM 316 CZ TYR A 20 5.042 -4.739 -1.367 1.00 0.00 C ATOM 317 OH TYR A 20 6.064 -3.841 -1.155 1.00 0.00 O ATOM 0 H TYR A 20 2.453 -10.219 -2.093 1.00 0.00 H new ATOM 0 HA TYR A 20 1.890 -8.219 0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.993 -7.997 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.910 -6.962 -2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.002 -7.778 -0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.222 -5.096 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.827 -6.174 0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.040 -3.493 -2.784 1.00 0.00 H new ATOM 0 HH TYR A 20 5.922 -3.047 -1.711 1.00 0.00 H new ATOM 327 N TYR A 21 -0.560 -8.726 -0.080 1.00 0.00 N ATOM 328 CA TYR A 21 -1.951 -9.124 -0.053 1.00 0.00 C ATOM 329 C TYR A 21 -2.785 -8.002 -0.650 1.00 0.00 C ATOM 330 O TYR A 21 -2.919 -6.927 -0.068 1.00 0.00 O ATOM 331 CB TYR A 21 -2.381 -9.425 1.386 1.00 0.00 C ATOM 332 CG TYR A 21 -3.879 -9.436 1.598 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.732 -10.018 0.670 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.435 -8.864 2.733 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.096 -10.029 0.865 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.799 -8.869 2.937 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.628 -9.453 2.000 1.00 0.00 C ATOM 338 OH TYR A 21 -7.989 -9.461 2.201 1.00 0.00 O ATOM 0 H TYR A 21 -0.276 -8.119 0.689 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.097 -10.031 -0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.977 -10.394 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.937 -8.682 2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.319 -10.470 -0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.789 -8.407 3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.745 -10.486 0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.217 -8.418 3.825 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.197 -9.016 3.049 1.00 0.00 H new ATOM 348 N PHE A 22 -3.316 -8.258 -1.835 1.00 0.00 N ATOM 349 CA PHE A 22 -4.106 -7.277 -2.551 1.00 0.00 C ATOM 350 C PHE A 22 -5.598 -7.569 -2.418 1.00 0.00 C ATOM 351 O PHE A 22 -6.051 -8.677 -2.707 1.00 0.00 O ATOM 352 CB PHE A 22 -3.686 -7.284 -4.025 1.00 0.00 C ATOM 353 CG PHE A 22 -2.353 -6.624 -4.297 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.573 -6.132 -3.262 1.00 0.00 C ATOM 355 CD2 PHE A 22 -1.881 -6.501 -5.597 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.354 -5.530 -3.515 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.662 -5.899 -5.856 1.00 0.00 C ATOM 358 CZ PHE A 22 0.103 -5.412 -4.811 1.00 0.00 C ATOM 0 H PHE A 22 -3.211 -9.148 -2.323 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.927 -6.291 -2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.645 -8.316 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.454 -6.780 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.922 -6.220 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.473 -6.880 -6.417 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.241 -5.152 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.308 -5.809 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.055 -4.941 -5.009 1.00 0.00 H new ATOM 368 N GLY A 23 -6.356 -6.569 -1.976 1.00 0.00 N ATOM 369 CA GLY A 23 -7.788 -6.740 -1.810 1.00 0.00 C ATOM 370 C GLY A 23 -8.563 -5.462 -2.064 1.00 0.00 C ATOM 371 O GLY A 23 -7.989 -4.450 -2.466 1.00 0.00 O ATOM 0 H GLY A 23 -6.004 -5.644 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.139 -7.514 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.993 -7.090 -0.798 1.00 0.00 H new ATOM 375 N LYS A 24 -9.871 -5.513 -1.832 1.00 0.00 N ATOM 376 CA LYS A 24 -10.731 -4.354 -2.038 1.00 0.00 C ATOM 377 C LYS A 24 -11.326 -3.874 -0.719 1.00 0.00 C ATOM 378 O LYS A 24 -11.351 -4.609 0.268 1.00 0.00 O ATOM 379 CB LYS A 24 -11.852 -4.693 -3.021 1.00 0.00 C ATOM 380 CG LYS A 24 -11.389 -4.783 -4.466 1.00 0.00 C ATOM 381 CD LYS A 24 -11.360 -6.223 -4.951 1.00 0.00 C ATOM 382 CE LYS A 24 -10.750 -6.329 -6.340 1.00 0.00 C ATOM 383 NZ LYS A 24 -11.711 -6.898 -7.327 1.00 0.00 N ATOM 0 H LYS A 24 -10.358 -6.346 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.121 -3.552 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.301 -5.643 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.632 -3.935 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.055 -4.197 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.395 -4.346 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.786 -6.832 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.373 -6.624 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.430 -5.341 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.859 -6.955 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.257 -6.954 -8.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.997 -7.851 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.551 -6.287 -7.386 1.00 0.00 H new ATOM 440 N GLN A 28 -10.554 4.457 4.657 1.00 0.00 N ATOM 441 CA GLN A 28 -9.460 5.414 4.780 1.00 0.00 C ATOM 442 C GLN A 28 -8.122 4.697 4.940 1.00 0.00 C ATOM 443 O GLN A 28 -8.072 3.471 5.035 1.00 0.00 O ATOM 444 CB GLN A 28 -9.701 6.344 5.970 1.00 0.00 C ATOM 445 CG GLN A 28 -10.964 7.179 5.844 1.00 0.00 C ATOM 446 CD GLN A 28 -10.752 8.625 6.246 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.336 8.915 7.368 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.035 9.542 5.328 1.00 0.00 N ATOM 0 HA GLN A 28 -9.425 6.007 3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.759 5.748 6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.845 7.010 6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.319 7.141 4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.746 6.744 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.378 9.257 4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.910 10.532 5.540 1.00 0.00 H new ATOM 457 N TRP A 29 -7.041 5.472 4.969 1.00 0.00 N ATOM 458 CA TRP A 29 -5.701 4.914 5.117 1.00 0.00 C ATOM 459 C TRP A 29 -5.549 4.204 6.456 1.00 0.00 C ATOM 460 O TRP A 29 -5.062 3.075 6.521 1.00 0.00 O ATOM 461 CB TRP A 29 -4.648 6.017 4.990 1.00 0.00 C ATOM 462 CG TRP A 29 -3.257 5.545 5.280 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.368 5.015 4.389 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.594 5.556 6.550 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.194 4.694 5.027 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.309 5.017 6.354 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.964 5.968 7.833 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.393 4.882 7.394 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.054 5.833 8.864 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.781 5.294 8.639 1.00 0.00 C ATOM 0 H TRP A 29 -7.067 6.489 4.892 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.552 4.184 4.321 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.682 6.427 3.981 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.898 6.829 5.673 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.560 4.869 3.336 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.372 4.283 4.585 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.944 6.384 8.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.589 4.467 7.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.329 6.148 9.860 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.092 5.202 9.465 1.00 0.00 H new ATOM 481 N VAL A 30 -5.972 4.875 7.520 1.00 0.00 N ATOM 482 CA VAL A 30 -5.886 4.314 8.862 1.00 0.00 C ATOM 483 C VAL A 30 -6.584 2.963 8.932 1.00 0.00 C ATOM 484 O VAL A 30 -6.190 2.087 9.702 1.00 0.00 O ATOM 485 CB VAL A 30 -6.504 5.257 9.910 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.599 6.456 10.149 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.891 5.706 9.474 1.00 0.00 C ATOM 0 H VAL A 30 -6.379 5.810 7.479 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.827 4.187 9.086 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.602 4.712 10.849 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.052 7.111 10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.629 6.114 10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.466 7.003 9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.312 6.372 10.228 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.820 6.233 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.536 4.835 9.359 1.00 0.00 H new ATOM 497 N HIS A 31 -7.622 2.798 8.123 1.00 0.00 N ATOM 498 CA HIS A 31 -8.368 1.551 8.095 1.00 0.00 C ATOM 499 C HIS A 31 -7.554 0.453 7.423 1.00 0.00 C ATOM 500 O HIS A 31 -7.674 -0.721 7.777 1.00 0.00 O ATOM 501 CB HIS A 31 -9.701 1.739 7.369 1.00 0.00 C ATOM 502 CG HIS A 31 -10.875 1.212 8.133 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.641 0.149 7.701 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.416 1.607 9.311 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.602 -0.086 8.577 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.486 0.784 9.563 1.00 0.00 N ATOM 0 H HIS A 31 -7.965 3.511 7.479 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.570 1.253 9.124 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.852 2.800 7.172 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.653 1.239 6.402 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.070 2.418 9.935 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.354 -0.858 8.500 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.094 0.836 10.381 1.00 0.00 H new ATOM 515 N ALA A 32 -6.725 0.836 6.456 1.00 0.00 N ATOM 516 CA ALA A 32 -5.896 -0.129 5.749 1.00 0.00 C ATOM 517 C ALA A 32 -4.791 -0.655 6.653 1.00 0.00 C ATOM 518 O ALA A 32 -4.587 -1.862 6.759 1.00 0.00 O ATOM 519 CB ALA A 32 -5.303 0.499 4.498 1.00 0.00 C ATOM 0 H ALA A 32 -6.611 1.801 6.147 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.525 -0.969 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.686 -0.235 3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.107 0.826 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.690 1.356 4.777 1.00 0.00 H new ATOM 525 N ARG A 33 -4.089 0.257 7.313 1.00 0.00 N ATOM 526 CA ARG A 33 -3.012 -0.119 8.217 1.00 0.00 C ATOM 527 C ARG A 33 -3.536 -0.981 9.359 1.00 0.00 C ATOM 528 O ARG A 33 -2.881 -1.935 9.778 1.00 0.00 O ATOM 529 CB ARG A 33 -2.315 1.124 8.775 1.00 0.00 C ATOM 530 CG ARG A 33 -3.265 2.138 9.387 1.00 0.00 C ATOM 531 CD ARG A 33 -3.135 2.180 10.900 1.00 0.00 C ATOM 532 NE ARG A 33 -2.344 3.322 11.349 1.00 0.00 N ATOM 533 CZ ARG A 33 -2.616 4.023 12.446 1.00 0.00 C ATOM 534 NH1 ARG A 33 -3.656 3.700 13.203 1.00 0.00 N ATOM 535 NH2 ARG A 33 -1.847 5.048 12.787 1.00 0.00 N ATOM 0 H ARG A 33 -4.247 1.262 7.239 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.287 -0.701 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.592 0.815 9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.753 1.604 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.059 3.126 8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.291 1.887 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.128 2.228 11.348 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.671 1.258 11.250 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.537 3.598 10.790 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.250 2.912 12.944 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.862 4.240 14.044 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.046 5.300 12.208 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.057 5.585 13.629 1.00 0.00 H new ATOM 549 N TYR A 34 -4.718 -0.640 9.857 1.00 0.00 N ATOM 550 CA TYR A 34 -5.327 -1.385 10.952 1.00 0.00 C ATOM 551 C TYR A 34 -5.833 -2.743 10.478 1.00 0.00 C ATOM 552 O TYR A 34 -5.809 -3.720 11.227 1.00 0.00 O ATOM 553 CB TYR A 34 -6.477 -0.585 11.566 1.00 0.00 C ATOM 554 CG TYR A 34 -6.634 -0.797 13.055 1.00 0.00 C ATOM 555 CD1 TYR A 34 -7.296 -1.913 13.551 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.121 0.119 13.964 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.442 -2.111 14.911 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.262 -0.072 15.326 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.923 -1.187 15.794 1.00 0.00 C ATOM 560 OH TYR A 34 -7.067 -1.381 17.149 1.00 0.00 O ATOM 0 H TYR A 34 -5.273 0.147 9.521 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.562 -1.550 11.711 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.314 0.475 11.374 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.407 -0.860 11.068 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.703 -2.638 12.862 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.604 0.995 13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.959 -2.984 15.280 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.856 0.649 16.020 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.645 -0.640 17.632 1.00 0.00 H new ATOM 570 N ALA A 35 -6.294 -2.798 9.233 1.00 0.00 N ATOM 571 CA ALA A 35 -6.810 -4.037 8.666 1.00 0.00 C ATOM 572 C ALA A 35 -5.701 -5.058 8.464 1.00 0.00 C ATOM 573 O ALA A 35 -5.880 -6.245 8.741 1.00 0.00 O ATOM 574 CB ALA A 35 -7.524 -3.761 7.351 1.00 0.00 C ATOM 0 H ALA A 35 -6.321 -2.000 8.599 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.525 -4.457 9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.904 -4.696 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.355 -3.077 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.826 -3.312 6.645 1.00 0.00 H new ATOM 580 N CYS A 36 -4.555 -4.594 7.987 1.00 0.00 N ATOM 581 CA CYS A 36 -3.418 -5.474 7.755 1.00 0.00 C ATOM 582 C CYS A 36 -2.733 -5.810 9.073 1.00 0.00 C ATOM 583 O CYS A 36 -2.097 -6.855 9.207 1.00 0.00 O ATOM 584 CB CYS A 36 -2.420 -4.821 6.794 1.00 0.00 C ATOM 585 SG CYS A 36 -3.196 -3.902 5.425 1.00 0.00 S ATOM 0 H CYS A 36 -4.388 -3.615 7.753 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.783 -6.396 7.303 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.781 -4.141 7.358 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.774 -5.594 6.378 1.00 0.00 H new ATOM 590 N ASP A 37 -2.875 -4.914 10.045 1.00 0.00 N ATOM 591 CA ASP A 37 -2.276 -5.109 11.360 1.00 0.00 C ATOM 592 C ASP A 37 -3.052 -6.145 12.166 1.00 0.00 C ATOM 593 O ASP A 37 -2.523 -6.739 13.106 1.00 0.00 O ATOM 594 CB ASP A 37 -2.229 -3.785 12.124 1.00 0.00 C ATOM 595 CG ASP A 37 -0.845 -3.163 12.120 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.388 -2.741 11.037 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.221 -3.098 13.199 1.00 0.00 O ATOM 0 H ASP A 37 -3.400 -4.045 9.946 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.259 -5.475 11.216 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.939 -3.087 11.680 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.547 -3.951 13.153 1.00 0.00 H new ATOM 602 N ASP A 38 -4.314 -6.350 11.797 1.00 0.00 N ATOM 603 CA ASP A 38 -5.171 -7.305 12.491 1.00 0.00 C ATOM 604 C ASP A 38 -4.575 -8.709 12.465 1.00 0.00 C ATOM 605 O ASP A 38 -4.647 -9.439 13.455 1.00 0.00 O ATOM 606 CB ASP A 38 -6.563 -7.321 11.860 1.00 0.00 C ATOM 607 CG ASP A 38 -7.666 -7.140 12.886 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.804 -8.014 13.767 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.391 -6.126 12.807 1.00 0.00 O ATOM 0 H ASP A 38 -4.765 -5.867 11.020 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.248 -6.988 13.531 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.630 -6.528 11.115 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.710 -8.265 11.335 1.00 0.00 H new ATOM 614 N MET A 39 -3.988 -9.080 11.331 1.00 0.00 N ATOM 615 CA MET A 39 -3.381 -10.401 11.179 1.00 0.00 C ATOM 616 C MET A 39 -2.750 -10.572 9.800 1.00 0.00 C ATOM 617 O MET A 39 -1.814 -11.353 9.633 1.00 0.00 O ATOM 618 CB MET A 39 -4.427 -11.496 11.402 1.00 0.00 C ATOM 619 CG MET A 39 -5.667 -11.338 10.538 1.00 0.00 C ATOM 620 SD MET A 39 -6.400 -12.920 10.078 1.00 0.00 S ATOM 621 CE MET A 39 -7.810 -12.373 9.119 1.00 0.00 C ATOM 0 H MET A 39 -3.919 -8.487 10.504 1.00 0.00 H new ATOM 0 HA MET A 39 -2.595 -10.489 11.929 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.974 -12.466 11.199 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.723 -11.496 12.451 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.405 -10.742 11.075 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.408 -10.786 9.635 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.366 -13.240 8.763 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.458 -11.757 9.743 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.465 -11.788 8.266 1.00 0.00 H new ATOM 631 N GLU A 40 -3.277 -9.846 8.814 1.00 0.00 N ATOM 632 CA GLU A 40 -2.776 -9.922 7.444 1.00 0.00 C ATOM 633 C GLU A 40 -1.251 -9.836 7.399 1.00 0.00 C ATOM 634 O GLU A 40 -0.564 -10.854 7.480 1.00 0.00 O ATOM 635 CB GLU A 40 -3.396 -8.813 6.595 1.00 0.00 C ATOM 636 CG GLU A 40 -4.839 -9.086 6.205 1.00 0.00 C ATOM 637 CD GLU A 40 -5.693 -7.832 6.204 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.253 -6.814 5.631 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.804 -7.870 6.775 1.00 0.00 O ATOM 0 H GLU A 40 -4.053 -9.197 8.941 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.065 -10.890 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.348 -7.874 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.802 -8.683 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.864 -9.538 5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.267 -9.811 6.897 1.00 0.00 H new ATOM 646 N GLY A 41 -0.722 -8.622 7.262 1.00 0.00 N ATOM 647 CA GLY A 41 0.722 -8.456 7.206 1.00 0.00 C ATOM 648 C GLY A 41 1.197 -7.117 7.739 1.00 0.00 C ATOM 649 O GLY A 41 1.367 -6.941 8.945 1.00 0.00 O ATOM 0 H GLY A 41 -1.260 -7.759 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.194 -9.254 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.053 -8.565 6.173 1.00 0.00 H new ATOM 653 N GLN A 42 1.438 -6.187 6.826 1.00 0.00 N ATOM 654 CA GLN A 42 1.928 -4.863 7.162 1.00 0.00 C ATOM 655 C GLN A 42 1.474 -3.905 6.090 1.00 0.00 C ATOM 656 O GLN A 42 1.107 -4.338 5.004 1.00 0.00 O ATOM 657 CB GLN A 42 3.456 -4.863 7.233 1.00 0.00 C ATOM 658 CG GLN A 42 4.064 -3.472 7.307 1.00 0.00 C ATOM 659 CD GLN A 42 5.578 -3.491 7.236 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.243 -4.099 8.074 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.130 -2.821 6.231 1.00 0.00 N ATOM 0 H GLN A 42 1.297 -6.333 5.826 1.00 0.00 H new ATOM 0 HA GLN A 42 1.537 -4.563 8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.770 -5.434 8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.852 -5.377 6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.674 -2.865 6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.754 -2.993 8.236 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.539 -2.331 5.559 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.145 -2.796 6.131 1.00 0.00 H new ATOM 670 N LEU A 43 1.492 -2.614 6.348 1.00 0.00 N ATOM 671 CA LEU A 43 1.076 -1.719 5.309 1.00 0.00 C ATOM 672 C LEU A 43 2.194 -1.691 4.284 1.00 0.00 C ATOM 673 O LEU A 43 3.311 -1.250 4.554 1.00 0.00 O ATOM 674 CB LEU A 43 0.806 -0.321 5.871 1.00 0.00 C ATOM 675 CG LEU A 43 -0.338 0.452 5.211 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.626 -0.350 5.246 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.530 1.794 5.899 1.00 0.00 C ATOM 0 H LEU A 43 1.777 -2.183 7.227 1.00 0.00 H new ATOM 0 HA LEU A 43 0.145 -2.055 4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.591 -0.413 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.718 0.269 5.780 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.076 0.626 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.423 0.221 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.484 -1.289 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.897 -0.559 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.347 2.335 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.768 1.633 6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.387 2.378 5.820 1.00 0.00 H new ATOM 689 N VAL A 44 1.856 -2.229 3.126 1.00 0.00 N ATOM 690 CA VAL A 44 2.757 -2.379 1.991 1.00 0.00 C ATOM 691 C VAL A 44 3.960 -1.450 2.021 1.00 0.00 C ATOM 692 O VAL A 44 5.091 -1.895 2.216 1.00 0.00 O ATOM 693 CB VAL A 44 1.990 -2.187 0.680 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.723 -3.534 0.044 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.686 -1.442 0.929 1.00 0.00 C ATOM 0 H VAL A 44 0.918 -2.585 2.941 1.00 0.00 H new ATOM 0 HA VAL A 44 3.153 -3.392 2.060 1.00 0.00 H new ATOM 0 HB VAL A 44 2.595 -1.589 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.177 -3.394 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.670 -4.034 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.130 -4.146 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.154 -1.314 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.067 -2.013 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.902 -0.464 1.359 1.00 0.00 H new ATOM 705 N SER A 45 3.716 -0.174 1.794 1.00 0.00 N ATOM 706 CA SER A 45 4.791 0.813 1.761 1.00 0.00 C ATOM 707 C SER A 45 5.716 0.514 0.589 1.00 0.00 C ATOM 708 O SER A 45 6.885 0.169 0.768 1.00 0.00 O ATOM 709 CB SER A 45 5.583 0.800 3.067 1.00 0.00 C ATOM 710 OG SER A 45 5.958 2.110 3.449 1.00 0.00 O ATOM 0 H SER A 45 2.785 0.209 1.629 1.00 0.00 H new ATOM 0 HA SER A 45 4.353 1.804 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.983 0.346 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.474 0.183 2.949 1.00 0.00 H new ATOM 0 HG SER A 45 5.440 2.383 4.235 1.00 0.00 H new ATOM 716 N ILE A 46 5.164 0.627 -0.609 1.00 0.00 N ATOM 717 CA ILE A 46 5.900 0.351 -1.838 1.00 0.00 C ATOM 718 C ILE A 46 7.135 1.236 -1.972 1.00 0.00 C ATOM 719 O ILE A 46 7.100 2.425 -1.657 1.00 0.00 O ATOM 720 CB ILE A 46 5.009 0.529 -3.086 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.657 1.139 -2.709 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.806 -0.807 -3.784 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.739 1.354 -3.890 1.00 0.00 C ATOM 0 H ILE A 46 4.196 0.912 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 46 6.220 -0.689 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 46 5.514 1.212 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.162 0.487 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.825 2.094 -2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.176 -0.667 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.772 -1.208 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.324 -1.506 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.800 1.789 -3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.213 2.030 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.540 0.398 -4.375 1.00 0.00 H new ATOM 735 N HIS A 47 8.224 0.638 -2.447 1.00 0.00 N ATOM 736 CA HIS A 47 9.481 1.355 -2.633 1.00 0.00 C ATOM 737 C HIS A 47 10.088 1.038 -3.997 1.00 0.00 C ATOM 738 O HIS A 47 11.138 1.569 -4.358 1.00 0.00 O ATOM 739 CB HIS A 47 10.471 0.987 -1.526 1.00 0.00 C ATOM 740 CG HIS A 47 10.554 -0.485 -1.264 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.408 -1.324 -1.948 1.00 0.00 N ATOM 742 CD2 HIS A 47 9.887 -1.268 -0.383 1.00 0.00 C ATOM 743 CE1 HIS A 47 11.261 -2.559 -1.500 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.345 -2.551 -0.551 1.00 0.00 N ATOM 0 H HIS A 47 8.260 -0.347 -2.711 1.00 0.00 H new ATOM 0 HA HIS A 47 9.273 2.424 -2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.460 1.356 -1.797 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.181 1.496 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.135 -0.943 0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.799 -3.427 -1.851 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.028 -3.367 -0.027 1.00 0.00 H new ATOM 753 N SER A 48 9.417 0.173 -4.754 1.00 0.00 N ATOM 754 CA SER A 48 9.885 -0.210 -6.075 1.00 0.00 C ATOM 755 C SER A 48 8.848 0.157 -7.126 1.00 0.00 C ATOM 756 O SER A 48 7.699 -0.272 -7.045 1.00 0.00 O ATOM 757 CB SER A 48 10.174 -1.711 -6.126 1.00 0.00 C ATOM 758 OG SER A 48 11.419 -2.012 -5.520 1.00 0.00 O ATOM 0 H SER A 48 8.546 -0.275 -4.470 1.00 0.00 H new ATOM 0 HA SER A 48 10.808 0.330 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.378 -2.255 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.180 -2.048 -7.162 1.00 0.00 H new ATOM 0 HG SER A 48 11.579 -2.978 -5.564 1.00 0.00 H new ATOM 764 N PRO A 49 9.239 0.960 -8.131 1.00 0.00 N ATOM 765 CA PRO A 49 8.330 1.378 -9.196 1.00 0.00 C ATOM 766 C PRO A 49 7.519 0.209 -9.738 1.00 0.00 C ATOM 767 O PRO A 49 6.392 0.382 -10.202 1.00 0.00 O ATOM 768 CB PRO A 49 9.276 1.930 -10.261 1.00 0.00 C ATOM 769 CG PRO A 49 10.441 2.445 -9.486 1.00 0.00 C ATOM 770 CD PRO A 49 10.594 1.520 -8.308 1.00 0.00 C ATOM 0 HA PRO A 49 7.589 2.102 -8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.578 1.155 -10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.803 2.722 -10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.344 2.452 -10.097 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.270 3.470 -9.158 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.329 0.739 -8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.927 2.055 -7.418 1.00 0.00 H new ATOM 778 N GLU A 50 8.096 -0.987 -9.661 1.00 0.00 N ATOM 779 CA GLU A 50 7.422 -2.190 -10.126 1.00 0.00 C ATOM 780 C GLU A 50 6.316 -2.596 -9.167 1.00 0.00 C ATOM 781 O GLU A 50 5.202 -2.904 -9.586 1.00 0.00 O ATOM 782 CB GLU A 50 8.413 -3.342 -10.273 1.00 0.00 C ATOM 783 CG GLU A 50 7.753 -4.657 -10.635 1.00 0.00 C ATOM 784 CD GLU A 50 8.624 -5.857 -10.315 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.052 -5.985 -9.149 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.878 -6.666 -11.231 1.00 0.00 O ATOM 0 H GLU A 50 9.029 -1.146 -9.281 1.00 0.00 H new ATOM 0 HA GLU A 50 6.984 -1.968 -11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.145 -3.087 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.960 -3.463 -9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.809 -4.745 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.516 -4.659 -11.699 1.00 0.00 H new ATOM 793 N GLU A 51 6.637 -2.606 -7.879 1.00 0.00 N ATOM 794 CA GLU A 51 5.673 -2.987 -6.861 1.00 0.00 C ATOM 795 C GLU A 51 4.513 -2.002 -6.827 1.00 0.00 C ATOM 796 O GLU A 51 3.352 -2.401 -6.742 1.00 0.00 O ATOM 797 CB GLU A 51 6.350 -3.069 -5.492 1.00 0.00 C ATOM 798 CG GLU A 51 7.541 -4.011 -5.457 1.00 0.00 C ATOM 799 CD GLU A 51 8.126 -4.161 -4.067 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.449 -3.128 -3.444 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.260 -5.313 -3.600 1.00 0.00 O ATOM 0 H GLU A 51 7.557 -2.355 -7.518 1.00 0.00 H new ATOM 0 HA GLU A 51 5.277 -3.971 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.678 -2.072 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.618 -3.395 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.236 -4.990 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.312 -3.641 -6.133 1.00 0.00 H new ATOM 808 N GLN A 52 4.831 -0.714 -6.908 1.00 0.00 N ATOM 809 CA GLN A 52 3.807 0.319 -6.901 1.00 0.00 C ATOM 810 C GLN A 52 2.931 0.187 -8.138 1.00 0.00 C ATOM 811 O GLN A 52 1.711 0.292 -8.061 1.00 0.00 O ATOM 812 CB GLN A 52 4.442 1.715 -6.829 1.00 0.00 C ATOM 813 CG GLN A 52 5.006 2.218 -8.154 1.00 0.00 C ATOM 814 CD GLN A 52 3.962 2.795 -9.103 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.236 2.982 -10.288 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.762 3.083 -8.602 1.00 0.00 N ATOM 0 H GLN A 52 5.786 -0.364 -6.979 1.00 0.00 H new ATOM 0 HA GLN A 52 3.185 0.190 -6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.694 2.424 -6.474 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.243 1.699 -6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.756 2.982 -7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.518 1.395 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.568 2.916 -7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.037 3.471 -9.206 1.00 0.00 H new ATOM 825 N ASP A 53 3.567 -0.070 -9.272 1.00 0.00 N ATOM 826 CA ASP A 53 2.863 -0.247 -10.529 1.00 0.00 C ATOM 827 C ASP A 53 2.019 -1.509 -10.472 1.00 0.00 C ATOM 828 O ASP A 53 0.940 -1.579 -11.055 1.00 0.00 O ATOM 829 CB ASP A 53 3.853 -0.330 -11.692 1.00 0.00 C ATOM 830 CG ASP A 53 3.187 -0.108 -13.036 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.548 -1.053 -13.545 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.305 1.010 -13.579 1.00 0.00 O ATOM 0 H ASP A 53 4.580 -0.161 -9.344 1.00 0.00 H new ATOM 0 HA ASP A 53 2.213 0.613 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.638 0.413 -11.551 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.335 -1.307 -11.686 1.00 0.00 H new ATOM 837 N PHE A 54 2.542 -2.513 -9.777 1.00 0.00 N ATOM 838 CA PHE A 54 1.873 -3.791 -9.643 1.00 0.00 C ATOM 839 C PHE A 54 0.513 -3.645 -8.971 1.00 0.00 C ATOM 840 O PHE A 54 -0.500 -4.114 -9.492 1.00 0.00 O ATOM 841 CB PHE A 54 2.759 -4.721 -8.820 1.00 0.00 C ATOM 842 CG PHE A 54 3.244 -5.919 -9.577 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.415 -7.009 -9.773 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.527 -5.953 -10.092 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.858 -8.115 -10.470 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.980 -7.054 -10.789 1.00 0.00 C ATOM 847 CZ PHE A 54 4.144 -8.139 -10.980 1.00 0.00 C ATOM 0 H PHE A 54 3.439 -2.459 -9.294 1.00 0.00 H new ATOM 0 HA PHE A 54 1.705 -4.204 -10.638 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.620 -4.160 -8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.203 -5.056 -7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.411 -6.994 -9.376 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.183 -5.107 -9.947 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.202 -8.960 -10.617 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.985 -7.069 -11.184 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.494 -9.003 -11.526 1.00 0.00 H new ATOM 857 N LEU A 55 0.490 -2.977 -7.825 1.00 0.00 N ATOM 858 CA LEU A 55 -0.753 -2.755 -7.099 1.00 0.00 C ATOM 859 C LEU A 55 -1.587 -1.692 -7.792 1.00 0.00 C ATOM 860 O LEU A 55 -2.811 -1.790 -7.861 1.00 0.00 O ATOM 861 CB LEU A 55 -0.482 -2.340 -5.659 1.00 0.00 C ATOM 862 CG LEU A 55 0.733 -1.448 -5.468 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.320 0.008 -5.549 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.403 -1.752 -4.141 1.00 0.00 C ATOM 0 H LEU A 55 1.317 -2.580 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.305 -3.695 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.360 -1.821 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.353 -3.238 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 55 1.453 -1.646 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.195 0.643 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.123 0.207 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.410 0.223 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.272 -1.106 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.699 -1.574 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.720 -2.795 -4.124 1.00 0.00 H new ATOM 876 N THR A 56 -0.906 -0.673 -8.303 1.00 0.00 N ATOM 877 CA THR A 56 -1.560 0.420 -8.993 1.00 0.00 C ATOM 878 C THR A 56 -2.315 -0.119 -10.200 1.00 0.00 C ATOM 879 O THR A 56 -3.429 0.312 -10.497 1.00 0.00 O ATOM 880 CB THR A 56 -0.512 1.461 -9.406 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.563 2.592 -8.558 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.644 1.946 -10.833 1.00 0.00 C ATOM 0 H THR A 56 0.109 -0.586 -8.249 1.00 0.00 H new ATOM 0 HA THR A 56 -2.280 0.904 -8.333 1.00 0.00 H new ATOM 0 HB THR A 56 0.441 0.939 -9.318 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.144 2.527 -7.883 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.135 2.679 -11.042 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.540 1.102 -11.515 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.622 2.407 -10.972 1.00 0.00 H new ATOM 890 N LYS A 57 -1.707 -1.091 -10.870 1.00 0.00 N ATOM 891 CA LYS A 57 -2.324 -1.727 -12.020 1.00 0.00 C ATOM 892 C LYS A 57 -3.410 -2.675 -11.538 1.00 0.00 C ATOM 893 O LYS A 57 -4.451 -2.830 -12.178 1.00 0.00 O ATOM 894 CB LYS A 57 -1.284 -2.489 -12.843 1.00 0.00 C ATOM 895 CG LYS A 57 -1.535 -2.436 -14.341 1.00 0.00 C ATOM 896 CD LYS A 57 -0.383 -1.770 -15.076 1.00 0.00 C ATOM 897 CE LYS A 57 -0.568 -0.263 -15.153 1.00 0.00 C ATOM 898 NZ LYS A 57 -1.436 0.131 -16.297 1.00 0.00 N ATOM 0 H LYS A 57 -0.784 -1.455 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.762 -0.961 -12.660 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.296 -2.079 -12.634 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.271 -3.531 -12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.676 -3.447 -14.723 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.458 -1.890 -14.537 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.554 -1.997 -14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.307 -2.180 -16.083 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.007 0.097 -14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.405 0.218 -15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.538 1.166 -16.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.004 -0.190 -17.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.373 -0.307 -16.189 1.00 0.00 H new ATOM 912 N HIS A 58 -3.159 -3.295 -10.386 1.00 0.00 N ATOM 913 CA HIS A 58 -4.111 -4.217 -9.790 1.00 0.00 C ATOM 914 C HIS A 58 -5.368 -3.468 -9.364 1.00 0.00 C ATOM 915 O HIS A 58 -6.466 -4.026 -9.357 1.00 0.00 O ATOM 916 CB HIS A 58 -3.489 -4.915 -8.581 1.00 0.00 C ATOM 917 CG HIS A 58 -4.210 -6.163 -8.175 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.204 -6.180 -7.219 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.078 -7.441 -8.602 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.653 -7.415 -7.075 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.987 -8.199 -7.903 1.00 0.00 N ATOM 0 H HIS A 58 -2.300 -3.172 -9.849 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.378 -4.969 -10.532 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.452 -5.162 -8.808 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.475 -4.223 -7.739 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.540 -5.367 -6.704 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.388 -7.798 -9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.432 -7.729 -6.396 1.00 0.00 H new ATOM 983 N GLY A 63 -7.959 3.129 -6.009 1.00 0.00 N ATOM 984 CA GLY A 63 -6.555 3.091 -5.640 1.00 0.00 C ATOM 985 C GLY A 63 -6.270 2.134 -4.498 1.00 0.00 C ATOM 986 O GLY A 63 -7.184 1.515 -3.955 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.964 2.799 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.232 4.093 -5.357 1.00 0.00 H new ATOM 990 N SER A 64 -4.996 2.019 -4.131 1.00 0.00 N ATOM 991 CA SER A 64 -4.580 1.137 -3.044 1.00 0.00 C ATOM 992 C SER A 64 -3.937 1.942 -1.920 1.00 0.00 C ATOM 993 O SER A 64 -3.533 3.086 -2.123 1.00 0.00 O ATOM 994 CB SER A 64 -3.601 0.080 -3.562 1.00 0.00 C ATOM 995 OG SER A 64 -2.450 0.000 -2.739 1.00 0.00 O ATOM 0 H SER A 64 -4.231 2.528 -4.573 1.00 0.00 H new ATOM 0 HA SER A 64 -5.464 0.634 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.095 -0.891 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.305 0.323 -4.582 1.00 0.00 H new ATOM 0 HG SER A 64 -1.843 -0.683 -3.092 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.834 1.344 -0.735 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.228 2.032 0.400 1.00 0.00 C ATOM 1003 C TRP A 65 -1.850 1.472 0.687 1.00 0.00 C ATOM 1004 O TRP A 65 -1.661 0.257 0.738 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.111 1.927 1.647 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.217 2.937 1.671 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.086 4.293 1.757 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.622 2.672 1.605 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.323 4.889 1.750 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.283 3.914 1.656 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.385 1.507 1.507 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.671 4.020 1.611 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.762 1.613 1.463 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.392 2.862 1.514 1.00 0.00 C ATOM 0 H TRP A 65 -4.158 0.397 -0.538 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.133 3.086 0.139 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.540 0.926 1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.492 2.054 2.535 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.146 4.821 1.821 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.499 5.892 1.806 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.907 0.539 1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.160 4.982 1.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.362 0.718 1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.470 2.912 1.476 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.889 2.364 0.861 1.00 0.00 N ATOM 1026 CA ILE A 66 0.479 1.964 1.128 1.00 0.00 C ATOM 1027 C ILE A 66 0.914 2.362 2.527 1.00 0.00 C ATOM 1028 O ILE A 66 0.237 3.130 3.208 1.00 0.00 O ATOM 1029 CB ILE A 66 1.451 2.541 0.087 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.786 4.000 0.399 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.843 2.417 -1.301 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.377 4.751 -0.777 1.00 0.00 C ATOM 0 H ILE A 66 -1.034 3.373 0.822 1.00 0.00 H new ATOM 0 HA ILE A 66 0.508 0.877 1.057 1.00 0.00 H new ATOM 0 HB ILE A 66 2.381 1.973 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.880 4.510 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.489 4.033 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.533 2.827 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.655 1.367 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.096 2.969 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.590 5.779 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.301 4.265 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.666 4.750 -1.604 1.00 0.00 H new ATOM 1044 N GLY A 67 2.041 1.811 2.947 1.00 0.00 N ATOM 1045 CA GLY A 67 2.572 2.083 4.266 1.00 0.00 C ATOM 1046 C GLY A 67 3.182 3.461 4.390 1.00 0.00 C ATOM 1047 O GLY A 67 4.332 3.599 4.801 1.00 0.00 O ATOM 0 H GLY A 67 2.605 1.171 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.774 1.979 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.327 1.335 4.508 1.00 0.00 H new ATOM 1051 N LEU A 68 2.414 4.483 4.041 1.00 0.00 N ATOM 1052 CA LEU A 68 2.902 5.850 4.126 1.00 0.00 C ATOM 1053 C LEU A 68 2.042 6.711 5.044 1.00 0.00 C ATOM 1054 O LEU A 68 0.829 6.822 4.868 1.00 0.00 O ATOM 1055 CB LEU A 68 2.958 6.487 2.738 1.00 0.00 C ATOM 1056 CG LEU A 68 3.872 7.712 2.624 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.240 8.928 3.287 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.228 7.421 3.238 1.00 0.00 C ATOM 0 H LEU A 68 1.457 4.392 3.699 1.00 0.00 H new ATOM 0 HA LEU A 68 3.905 5.802 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.292 5.735 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.948 6.777 2.447 1.00 0.00 H new ATOM 0 HG LEU A 68 4.008 7.935 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.909 9.783 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.290 9.154 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.067 8.718 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.864 8.301 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.104 7.169 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.691 6.584 2.716 1.00 0.00 H new ATOM 1070 N ARG A 69 2.706 7.346 6.000 1.00 0.00 N ATOM 1071 CA ARG A 69 2.059 8.244 6.945 1.00 0.00 C ATOM 1072 C ARG A 69 2.946 9.466 7.176 1.00 0.00 C ATOM 1073 O ARG A 69 4.092 9.331 7.606 1.00 0.00 O ATOM 1074 CB ARG A 69 1.779 7.519 8.265 1.00 0.00 C ATOM 1075 CG ARG A 69 1.742 8.434 9.479 1.00 0.00 C ATOM 1076 CD ARG A 69 2.956 8.227 10.371 1.00 0.00 C ATOM 1077 NE ARG A 69 2.668 8.538 11.769 1.00 0.00 N ATOM 1078 CZ ARG A 69 2.330 7.624 12.674 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.241 6.346 12.329 1.00 0.00 N ATOM 1080 NH2 ARG A 69 2.084 7.986 13.924 1.00 0.00 N ATOM 0 H ARG A 69 3.712 7.252 6.142 1.00 0.00 H new ATOM 0 HA ARG A 69 1.105 8.573 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.824 6.999 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.545 6.759 8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.703 9.473 9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.833 8.245 10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.292 7.193 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.774 8.856 10.021 1.00 0.00 H new ATOM 0 HE ARG A 69 2.730 9.511 12.068 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.432 6.063 11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.982 5.647 13.025 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.154 8.967 14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.825 7.284 14.617 1.00 0.00 H new ATOM 1094 N ASN A 70 2.427 10.655 6.895 1.00 0.00 N ATOM 1095 CA ASN A 70 3.205 11.875 7.084 1.00 0.00 C ATOM 1096 C ASN A 70 3.123 12.351 8.530 1.00 0.00 C ATOM 1097 O ASN A 70 2.155 12.068 9.233 1.00 0.00 O ATOM 1098 CB ASN A 70 2.730 12.970 6.123 1.00 0.00 C ATOM 1099 CG ASN A 70 2.475 14.295 6.819 1.00 0.00 C ATOM 1100 OD1 ASN A 70 1.506 14.443 7.564 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.348 15.267 6.579 1.00 0.00 N ATOM 0 H ASN A 70 1.482 10.801 6.540 1.00 0.00 H new ATOM 0 HA ASN A 70 4.249 11.653 6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.479 13.113 5.344 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.815 12.642 5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.229 16.179 7.019 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.137 15.101 5.955 1.00 0.00 H new ATOM 1202 N PHE A 77 7.038 12.760 4.840 1.00 0.00 N ATOM 1203 CA PHE A 77 6.371 11.468 4.772 1.00 0.00 C ATOM 1204 C PHE A 77 7.232 10.364 5.384 1.00 0.00 C ATOM 1205 O PHE A 77 8.421 10.242 5.089 1.00 0.00 O ATOM 1206 CB PHE A 77 6.004 11.118 3.320 1.00 0.00 C ATOM 1207 CG PHE A 77 7.108 11.297 2.301 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.382 11.717 2.667 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.864 11.032 0.960 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.380 11.870 1.724 1.00 0.00 C ATOM 1211 CE2 PHE A 77 7.862 11.181 0.016 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.120 11.603 0.398 1.00 0.00 C ATOM 0 HA PHE A 77 5.453 11.541 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.671 10.080 3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.156 11.734 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.595 11.927 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.882 10.705 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.363 12.199 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.658 10.967 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.898 11.723 -0.341 1.00 0.00 H new ATOM 1222 N ILE A 78 6.614 9.567 6.245 1.00 0.00 N ATOM 1223 CA ILE A 78 7.295 8.470 6.917 1.00 0.00 C ATOM 1224 C ILE A 78 6.488 7.183 6.785 1.00 0.00 C ATOM 1225 O ILE A 78 5.264 7.205 6.850 1.00 0.00 O ATOM 1226 CB ILE A 78 7.532 8.790 8.409 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.922 9.422 8.589 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.365 7.538 9.266 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.818 8.717 9.590 1.00 0.00 C ATOM 0 H ILE A 78 5.630 9.662 6.496 1.00 0.00 H new ATOM 0 HA ILE A 78 8.264 8.336 6.437 1.00 0.00 H new ATOM 0 HB ILE A 78 6.784 9.509 8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.425 9.440 7.622 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.796 10.458 8.902 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.537 7.788 10.313 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.354 7.148 9.147 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.085 6.783 8.951 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.776 9.234 9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.342 8.722 10.571 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.981 7.688 9.271 1.00 0.00 H new ATOM 1241 N TRP A 79 7.174 6.063 6.593 1.00 0.00 N ATOM 1242 CA TRP A 79 6.495 4.781 6.444 1.00 0.00 C ATOM 1243 C TRP A 79 5.962 4.291 7.785 1.00 0.00 C ATOM 1244 O TRP A 79 6.521 4.597 8.837 1.00 0.00 O ATOM 1245 CB TRP A 79 7.446 3.730 5.863 1.00 0.00 C ATOM 1246 CG TRP A 79 7.942 4.045 4.480 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.604 5.117 3.706 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.870 3.271 3.710 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.264 5.057 2.503 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.047 3.934 2.481 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.569 2.083 3.943 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.894 3.446 1.489 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.409 1.601 2.957 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.566 2.282 1.743 1.00 0.00 C ATOM 0 H TRP A 79 8.191 6.015 6.537 1.00 0.00 H new ATOM 0 HA TRP A 79 5.659 4.927 5.760 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.303 3.624 6.529 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.936 2.767 5.843 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.918 5.898 3.997 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.184 5.739 1.748 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.455 1.552 4.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.016 3.968 0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.954 0.684 3.125 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.231 1.880 0.993 1.00 0.00 H new ATOM 1265 N VAL A 80 4.875 3.526 7.734 1.00 0.00 N ATOM 1266 CA VAL A 80 4.259 2.980 8.941 1.00 0.00 C ATOM 1267 C VAL A 80 5.254 2.104 9.697 1.00 0.00 C ATOM 1268 O VAL A 80 5.152 1.927 10.912 1.00 0.00 O ATOM 1269 CB VAL A 80 3.001 2.150 8.593 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.214 1.390 7.299 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.635 1.200 9.725 1.00 0.00 C ATOM 0 H VAL A 80 4.401 3.269 6.868 1.00 0.00 H new ATOM 0 HA VAL A 80 3.963 3.818 9.573 1.00 0.00 H new ATOM 0 HB VAL A 80 2.167 2.839 8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.321 0.810 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.410 2.095 6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.065 0.718 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.747 0.631 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.463 0.515 9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.433 1.773 10.630 1.00 0.00 H new ATOM 1281 N ASP A 81 6.224 1.567 8.965 1.00 0.00 N ATOM 1282 CA ASP A 81 7.247 0.712 9.553 1.00 0.00 C ATOM 1283 C ASP A 81 8.286 1.547 10.291 1.00 0.00 C ATOM 1284 O ASP A 81 9.191 1.010 10.930 1.00 0.00 O ATOM 1285 CB ASP A 81 7.925 -0.124 8.466 1.00 0.00 C ATOM 1286 CG ASP A 81 8.634 -1.340 9.031 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.947 -2.226 9.580 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.876 -1.405 8.923 1.00 0.00 O ATOM 0 H ASP A 81 6.323 1.710 7.960 1.00 0.00 H new ATOM 0 HA ASP A 81 6.767 0.044 10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.178 -0.447 7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.644 0.496 7.930 1.00 0.00 H new ATOM 1293 N GLY A 82 8.142 2.864 10.200 1.00 0.00 N ATOM 1294 CA GLY A 82 9.064 3.761 10.864 1.00 0.00 C ATOM 1295 C GLY A 82 10.299 4.056 10.037 1.00 0.00 C ATOM 1296 O GLY A 82 11.410 4.097 10.564 1.00 0.00 O ATOM 0 H GLY A 82 7.399 3.326 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.553 4.697 11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.366 3.324 11.816 1.00 0.00 H new ATOM 1300 N SER A 83 10.109 4.266 8.736 1.00 0.00 N ATOM 1301 CA SER A 83 11.226 4.560 7.845 1.00 0.00 C ATOM 1302 C SER A 83 10.852 5.629 6.821 1.00 0.00 C ATOM 1303 O SER A 83 9.932 5.445 6.029 1.00 0.00 O ATOM 1304 CB SER A 83 11.680 3.288 7.127 1.00 0.00 C ATOM 1305 OG SER A 83 13.008 2.945 7.485 1.00 0.00 O ATOM 0 H SER A 83 9.198 4.238 8.279 1.00 0.00 H new ATOM 0 HA SER A 83 12.046 4.942 8.453 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.009 2.466 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.617 3.433 6.049 1.00 0.00 H new ATOM 0 HG SER A 83 13.273 2.128 7.014 1.00 0.00 H new ATOM 1311 N HIS A 84 11.576 6.744 6.840 1.00 0.00 N ATOM 1312 CA HIS A 84 11.325 7.839 5.912 1.00 0.00 C ATOM 1313 C HIS A 84 11.356 7.346 4.469 1.00 0.00 C ATOM 1314 O HIS A 84 12.085 6.411 4.137 1.00 0.00 O ATOM 1315 CB HIS A 84 12.361 8.946 6.110 1.00 0.00 C ATOM 1316 CG HIS A 84 13.751 8.433 6.328 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.502 7.844 5.333 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.528 8.423 7.438 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.679 7.492 5.820 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.720 7.833 7.095 1.00 0.00 N ATOM 0 H HIS A 84 12.343 6.912 7.491 1.00 0.00 H new ATOM 0 HA HIS A 84 10.332 8.239 6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.356 9.598 5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.070 9.556 6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.260 8.807 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.472 7.008 5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.509 7.683 7.723 1.00 0.00 H new ATOM 1329 N VAL A 85 10.556 7.980 3.618 1.00 0.00 N ATOM 1330 CA VAL A 85 10.482 7.608 2.210 1.00 0.00 C ATOM 1331 C VAL A 85 11.830 7.774 1.517 1.00 0.00 C ATOM 1332 O VAL A 85 12.649 8.602 1.918 1.00 0.00 O ATOM 1333 CB VAL A 85 9.416 8.443 1.481 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.316 8.055 0.017 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.078 8.278 2.170 1.00 0.00 C ATOM 0 H VAL A 85 9.948 8.756 3.880 1.00 0.00 H new ATOM 0 HA VAL A 85 10.202 6.556 2.167 1.00 0.00 H new ATOM 0 HB VAL A 85 9.712 9.491 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.554 8.664 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.277 8.220 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.045 7.002 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.326 8.871 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.787 7.228 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.157 8.616 3.203 1.00 0.00 H new ATOM 1345 N ASP A 86 12.058 6.971 0.480 1.00 0.00 N ATOM 1346 CA ASP A 86 13.311 7.017 -0.264 1.00 0.00 C ATOM 1347 C ASP A 86 13.088 7.440 -1.714 1.00 0.00 C ATOM 1348 O ASP A 86 13.594 8.474 -2.152 1.00 0.00 O ATOM 1349 CB ASP A 86 13.991 5.648 -0.226 1.00 0.00 C ATOM 1350 CG ASP A 86 14.420 5.255 1.174 1.00 0.00 C ATOM 1351 OD1 ASP A 86 13.607 4.636 1.892 1.00 0.00 O ATOM 1352 OD2 ASP A 86 15.570 5.566 1.553 1.00 0.00 O ATOM 0 H ASP A 86 11.390 6.281 0.137 1.00 0.00 H new ATOM 0 HA ASP A 86 13.952 7.760 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.308 4.895 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.863 5.660 -0.880 1.00 0.00 H new ATOM 1357 N TYR A 87 12.347 6.625 -2.459 1.00 0.00 N ATOM 1358 CA TYR A 87 12.079 6.907 -3.866 1.00 0.00 C ATOM 1359 C TYR A 87 10.873 7.823 -4.045 1.00 0.00 C ATOM 1360 O TYR A 87 10.969 8.868 -4.689 1.00 0.00 O ATOM 1361 CB TYR A 87 11.855 5.602 -4.635 1.00 0.00 C ATOM 1362 CG TYR A 87 13.128 4.833 -4.908 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.981 5.206 -5.939 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.476 3.732 -4.134 1.00 0.00 C ATOM 1365 CE1 TYR A 87 15.144 4.504 -6.191 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.637 3.026 -4.381 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.468 3.415 -5.409 1.00 0.00 C ATOM 1368 OH TYR A 87 16.625 2.714 -5.658 1.00 0.00 O ATOM 0 H TYR A 87 11.922 5.765 -2.113 1.00 0.00 H new ATOM 0 HA TYR A 87 12.953 7.423 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.173 4.969 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.367 5.828 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.731 6.058 -6.553 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.828 3.424 -3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.796 4.807 -6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 87 14.893 2.172 -3.771 1.00 0.00 H new ATOM 0 HH TYR A 87 16.705 1.977 -5.017 1.00 0.00 H new ATOM 1378 N SER A 88 9.738 7.412 -3.486 1.00 0.00 N ATOM 1379 CA SER A 88 8.495 8.175 -3.594 1.00 0.00 C ATOM 1380 C SER A 88 8.077 8.313 -5.054 1.00 0.00 C ATOM 1381 O SER A 88 8.915 8.337 -5.955 1.00 0.00 O ATOM 1382 CB SER A 88 8.626 9.556 -2.943 1.00 0.00 C ATOM 1383 OG SER A 88 9.931 9.772 -2.437 1.00 0.00 O ATOM 0 H SER A 88 9.652 6.549 -2.950 1.00 0.00 H new ATOM 0 HA SER A 88 7.722 7.625 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.386 10.328 -3.674 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.902 9.648 -2.134 1.00 0.00 H new ATOM 0 HG SER A 88 9.877 10.267 -1.593 1.00 0.00 H new ATOM 1389 N ASN A 89 6.773 8.387 -5.287 1.00 0.00 N ATOM 1390 CA ASN A 89 6.251 8.501 -6.641 1.00 0.00 C ATOM 1391 C ASN A 89 5.760 9.918 -6.934 1.00 0.00 C ATOM 1392 O ASN A 89 5.938 10.414 -8.046 1.00 0.00 O ATOM 1393 CB ASN A 89 5.136 7.476 -6.848 1.00 0.00 C ATOM 1394 CG ASN A 89 5.478 6.445 -7.902 1.00 0.00 C ATOM 1395 OD1 ASN A 89 6.045 6.768 -8.947 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.130 5.194 -7.630 1.00 0.00 N ATOM 0 H ASN A 89 6.060 8.370 -4.558 1.00 0.00 H new ATOM 0 HA ASN A 89 7.058 8.293 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.933 6.971 -5.904 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.221 7.994 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.331 4.452 -8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.662 4.975 -6.751 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.463 10.706 4.202 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.528 9.385 3.590 1.00 0.00 C ATOM 1600 C CYS A 104 -1.281 9.474 2.088 1.00 0.00 C ATOM 1601 O CYS A 104 -1.694 10.431 1.430 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.885 8.722 3.851 1.00 0.00 C ATOM 1603 SG CYS A 104 -4.315 9.657 3.214 1.00 0.00 S ATOM 0 HA CYS A 104 -0.748 8.773 4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.884 7.730 3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -3.007 8.582 4.925 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.943 10.381 2.201 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.605 8.468 1.553 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.303 8.426 0.133 1.00 0.00 C ATOM 1610 C VAL A 105 -1.152 7.377 -0.576 1.00 0.00 C ATOM 1611 O VAL A 105 -1.278 6.242 -0.114 1.00 0.00 O ATOM 1612 CB VAL A 105 1.189 8.145 -0.118 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.438 7.801 -1.575 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.021 9.349 0.284 1.00 0.00 C ATOM 0 H VAL A 105 -0.256 7.670 2.083 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.542 9.408 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 105 1.483 7.289 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.500 7.607 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.865 6.913 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.128 8.636 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.075 9.140 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.716 10.215 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.870 9.559 1.343 1.00 0.00 H new ATOM 1624 N MET A 106 -1.738 7.778 -1.694 1.00 0.00 N ATOM 1625 CA MET A 106 -2.592 6.903 -2.484 1.00 0.00 C ATOM 1626 C MET A 106 -2.142 6.891 -3.938 1.00 0.00 C ATOM 1627 O MET A 106 -1.312 7.699 -4.339 1.00 0.00 O ATOM 1628 CB MET A 106 -4.048 7.368 -2.395 1.00 0.00 C ATOM 1629 CG MET A 106 -4.318 8.670 -3.131 1.00 0.00 C ATOM 1630 SD MET A 106 -5.664 8.530 -4.321 1.00 0.00 S ATOM 1631 CE MET A 106 -5.126 9.688 -5.576 1.00 0.00 C ATOM 0 H MET A 106 -1.636 8.717 -2.079 1.00 0.00 H new ATOM 0 HA MET A 106 -2.515 5.892 -2.084 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.694 6.590 -2.801 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.318 7.491 -1.346 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.558 9.449 -2.407 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.412 8.985 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.954 9.904 -6.251 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.795 10.612 -5.101 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.301 9.255 -6.141 1.00 0.00 H new ATOM 1641 N MET A 107 -2.692 5.981 -4.729 1.00 0.00 N ATOM 1642 CA MET A 107 -2.330 5.901 -6.138 1.00 0.00 C ATOM 1643 C MET A 107 -3.557 6.085 -7.015 1.00 0.00 C ATOM 1644 O MET A 107 -4.653 5.638 -6.677 1.00 0.00 O ATOM 1645 CB MET A 107 -1.638 4.569 -6.469 1.00 0.00 C ATOM 1646 CG MET A 107 -2.516 3.325 -6.348 1.00 0.00 C ATOM 1647 SD MET A 107 -3.794 3.180 -7.625 1.00 0.00 S ATOM 1648 CE MET A 107 -2.971 3.844 -9.073 1.00 0.00 C ATOM 0 H MET A 107 -3.383 5.295 -4.425 1.00 0.00 H new ATOM 0 HA MET A 107 -1.624 6.706 -6.341 1.00 0.00 H new ATOM 0 HB2 MET A 107 -1.252 4.623 -7.487 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.779 4.452 -5.809 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.879 2.441 -6.387 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.997 3.329 -5.370 1.00 0.00 H new ATOM 0 HE1 MET A 107 -3.578 4.640 -9.504 1.00 0.00 H new ATOM 0 HE2 MET A 107 -1.998 4.244 -8.787 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.835 3.052 -9.810 1.00 0.00 H new ATOM 1707 N ARG A 112 0.421 6.413 -10.788 1.00 0.00 N ATOM 1708 CA ARG A 112 1.453 6.772 -9.825 1.00 0.00 C ATOM 1709 C ARG A 112 0.850 7.033 -8.446 1.00 0.00 C ATOM 1710 O ARG A 112 -0.234 6.549 -8.132 1.00 0.00 O ATOM 1711 CB ARG A 112 2.220 8.005 -10.306 1.00 0.00 C ATOM 1712 CG ARG A 112 1.321 9.142 -10.759 1.00 0.00 C ATOM 1713 CD ARG A 112 1.138 9.140 -12.268 1.00 0.00 C ATOM 1714 NE ARG A 112 2.253 9.786 -12.956 1.00 0.00 N ATOM 1715 CZ ARG A 112 2.105 10.764 -13.845 1.00 0.00 C ATOM 1716 NH1 ARG A 112 0.892 11.208 -14.151 1.00 0.00 N ATOM 1717 NH2 ARG A 112 3.168 11.298 -14.428 1.00 0.00 N ATOM 0 HA ARG A 112 2.144 5.933 -9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.863 8.360 -9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.872 7.718 -11.131 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.349 9.054 -10.273 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.750 10.094 -10.445 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.041 8.113 -12.620 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.210 9.653 -12.521 1.00 0.00 H new ATOM 0 HE ARG A 112 3.199 9.469 -12.742 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.071 10.799 -13.704 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.781 11.958 -14.833 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.101 10.959 -14.195 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.053 12.048 -15.110 1.00 0.00 H new ATOM 1731 N TRP A 113 1.569 7.798 -7.633 1.00 0.00 N ATOM 1732 CA TRP A 113 1.130 8.129 -6.283 1.00 0.00 C ATOM 1733 C TRP A 113 0.689 9.570 -6.173 1.00 0.00 C ATOM 1734 O TRP A 113 1.073 10.425 -6.967 1.00 0.00 O ATOM 1735 CB TRP A 113 2.260 7.994 -5.266 1.00 0.00 C ATOM 1736 CG TRP A 113 2.769 6.622 -5.015 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.502 5.483 -5.707 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.681 6.270 -3.980 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.201 4.437 -5.160 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.930 4.895 -4.091 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.309 6.998 -2.967 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.789 4.223 -3.220 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.160 6.334 -2.103 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.393 4.959 -2.234 1.00 0.00 C ATOM 0 H TRP A 113 2.469 8.205 -7.890 1.00 0.00 H new ATOM 0 HA TRP A 113 0.315 7.435 -6.080 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.094 8.611 -5.600 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.916 8.408 -4.318 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.840 5.412 -6.558 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.182 3.473 -5.494 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.133 8.058 -2.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.971 3.163 -3.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.653 6.884 -1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.063 4.468 -1.543 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.049 9.828 -5.115 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.481 11.162 -4.785 1.00 0.00 C ATOM 1757 C ASN A 114 -0.340 11.328 -3.280 1.00 0.00 C ATOM 1758 O ASN A 114 -0.943 10.585 -2.505 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.930 11.390 -5.218 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.126 11.197 -6.709 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.236 10.069 -7.192 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -2.168 12.299 -7.449 1.00 0.00 N ATOM 0 H ASN A 114 -0.366 9.114 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 114 0.129 11.897 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.580 10.702 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.234 12.400 -4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -2.296 12.231 -8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -2.073 13.214 -7.008 1.00 0.00 H new ATOM 1769 N ASP A 115 0.469 12.291 -2.873 1.00 0.00 N ATOM 1770 CA ASP A 115 0.704 12.541 -1.462 1.00 0.00 C ATOM 1771 C ASP A 115 -0.195 13.667 -0.962 1.00 0.00 C ATOM 1772 O ASP A 115 -0.050 14.817 -1.375 1.00 0.00 O ATOM 1773 CB ASP A 115 2.180 12.883 -1.238 1.00 0.00 C ATOM 1774 CG ASP A 115 2.639 12.576 0.174 1.00 0.00 C ATOM 1775 OD1 ASP A 115 1.871 12.850 1.120 1.00 0.00 O ATOM 1776 OD2 ASP A 115 3.765 12.061 0.334 1.00 0.00 O ATOM 0 H ASP A 115 0.975 12.914 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 115 0.462 11.642 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.791 12.322 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.340 13.941 -1.447 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.132 13.325 -0.081 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.061 14.302 0.461 1.00 0.00 C ATOM 1783 C ALA A 116 -2.610 13.849 1.806 1.00 0.00 C ATOM 1784 O ALA A 116 -2.528 12.672 2.151 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.196 14.548 -0.520 1.00 0.00 C ATOM 0 H ALA A 116 -1.265 12.377 0.270 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.520 15.236 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.885 15.282 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.790 14.925 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.727 13.614 -0.703 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.175 5.997 -1.498 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.780 4.829 -2.276 1.00 0.00 C ATOM 1881 C LEU A 122 -10.785 3.696 -2.102 1.00 0.00 C ATOM 1882 O LEU A 122 -11.903 3.914 -1.635 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.387 4.360 -1.857 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.258 5.336 -2.179 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.990 6.252 -0.997 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.997 4.584 -2.563 1.00 0.00 C ATOM 0 HA LEU A 122 -9.759 5.113 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.390 4.172 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.177 3.409 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.566 5.948 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.182 6.940 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.891 6.819 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.704 5.655 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.203 5.296 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.687 3.946 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.193 3.969 -3.441 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.382 2.488 -2.481 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.266 1.346 -2.357 1.00 0.00 C ATOM 1900 C GLY A 123 -10.543 0.022 -2.500 1.00 0.00 C ATOM 1901 O GLY A 123 -11.126 -0.957 -2.965 1.00 0.00 O ATOM 0 H GLY A 123 -9.462 2.281 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.762 1.380 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.046 1.412 -3.116 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.276 -0.017 -2.097 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.495 -1.246 -2.184 1.00 0.00 C ATOM 1907 C ALA A 124 -7.582 -1.414 -0.980 1.00 0.00 C ATOM 1908 O ALA A 124 -6.861 -0.493 -0.597 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.690 -1.283 -3.471 1.00 0.00 C ATOM 0 H ALA A 124 -8.772 0.781 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.197 -2.080 -2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.115 -2.208 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.366 -1.235 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.010 -0.432 -3.499 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.617 -2.603 -0.390 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.795 -2.906 0.774 1.00 0.00 C ATOM 1917 C TRP A 125 -5.553 -3.687 0.368 1.00 0.00 C ATOM 1918 O TRP A 125 -5.626 -4.883 0.086 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.599 -3.711 1.800 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.735 -2.947 2.415 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.237 -1.744 2.008 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.511 -3.340 3.554 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.276 -1.366 2.821 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.464 -2.327 3.777 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -9.494 -4.448 4.405 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.389 -2.393 4.816 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -10.412 -4.512 5.436 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -11.350 -3.489 5.634 1.00 0.00 C ATOM 0 H TRP A 125 -8.208 -3.375 -0.700 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.485 -1.963 1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -7.994 -4.605 1.317 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.928 -4.046 2.591 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.870 -1.173 1.168 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.820 -0.508 2.728 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -8.776 -5.241 4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.112 -1.606 4.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -10.407 -5.364 6.100 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -12.055 -3.568 6.448 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.411 -3.010 0.348 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.160 -3.648 -0.015 1.00 0.00 C ATOM 1941 C VAL A 126 -2.229 -3.708 1.197 1.00 0.00 C ATOM 1942 O VAL A 126 -2.023 -2.712 1.892 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.479 -2.913 -1.188 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -1.002 -3.196 -1.218 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -3.099 -3.320 -2.508 1.00 0.00 C ATOM 0 H VAL A 126 -4.330 -2.020 0.579 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.378 -4.665 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.629 -1.844 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.547 -2.666 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.548 -2.861 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.839 -4.267 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.604 -2.790 -3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.980 -4.394 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.160 -3.069 -2.504 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.700 -4.896 1.452 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.816 -5.146 2.588 1.00 0.00 C ATOM 1957 C CYS A 127 0.354 -6.020 2.167 1.00 0.00 C ATOM 1958 O CYS A 127 0.343 -6.594 1.087 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.579 -5.821 3.729 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.299 -5.256 3.916 1.00 0.00 S ATOM 0 H CYS A 127 -1.871 -5.720 0.875 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.437 -4.186 2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.579 -6.898 3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.046 -5.642 4.663 1.00 0.00 H new ATOM 1965 N ASP A 128 1.369 -6.110 3.013 1.00 0.00 N ATOM 1966 CA ASP A 128 2.531 -6.921 2.709 1.00 0.00 C ATOM 1967 C ASP A 128 2.797 -7.903 3.842 1.00 0.00 C ATOM 1968 O ASP A 128 2.610 -7.585 5.014 1.00 0.00 O ATOM 1969 CB ASP A 128 3.745 -6.027 2.489 1.00 0.00 C ATOM 1970 CG ASP A 128 5.056 -6.748 2.739 1.00 0.00 C ATOM 1971 OD1 ASP A 128 5.405 -7.640 1.938 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.734 -6.420 3.735 1.00 0.00 O ATOM 0 H ASP A 128 1.409 -5.631 3.913 1.00 0.00 H new ATOM 0 HA ASP A 128 2.340 -7.486 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 128 3.732 -5.649 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.679 -5.162 3.149 1.00 0.00 H new ATOM 1977 N ARG A 129 3.239 -9.094 3.477 1.00 0.00 N ATOM 1978 CA ARG A 129 3.537 -10.135 4.448 1.00 0.00 C ATOM 1979 C ARG A 129 4.512 -11.142 3.863 1.00 0.00 C ATOM 1980 O ARG A 129 4.551 -11.343 2.651 1.00 0.00 O ATOM 1981 CB ARG A 129 2.251 -10.843 4.883 1.00 0.00 C ATOM 1982 CG ARG A 129 2.370 -11.550 6.224 1.00 0.00 C ATOM 1983 CD ARG A 129 1.913 -12.996 6.133 1.00 0.00 C ATOM 1984 NE ARG A 129 0.865 -13.301 7.103 1.00 0.00 N ATOM 1985 CZ ARG A 129 1.103 -13.776 8.322 1.00 0.00 C ATOM 1986 NH1 ARG A 129 2.348 -14.004 8.718 1.00 0.00 N ATOM 1987 NH2 ARG A 129 0.095 -14.026 9.146 1.00 0.00 N ATOM 0 H ARG A 129 3.401 -9.366 2.507 1.00 0.00 H new ATOM 0 HA ARG A 129 3.995 -9.670 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.444 -10.112 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.971 -11.571 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.405 -11.515 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.772 -11.024 6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.545 -13.197 5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.764 -13.656 6.299 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.105 -13.141 6.830 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.127 -13.815 8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.527 -14.368 9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -0.864 -13.854 8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.279 -14.390 10.081 1.00 0.00 H new ATOM 2001 N LEU A 130 5.291 -11.780 4.723 1.00 0.00 N ATOM 2002 CA LEU A 130 6.257 -12.770 4.270 1.00 0.00 C ATOM 2003 C LEU A 130 5.547 -14.017 3.750 1.00 0.00 C ATOM 2004 O LEU A 130 4.603 -14.507 4.370 1.00 0.00 O ATOM 2005 CB LEU A 130 7.217 -13.131 5.406 1.00 0.00 C ATOM 2006 CG LEU A 130 8.425 -12.196 5.568 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.685 -12.862 5.037 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.191 -10.862 4.865 1.00 0.00 C ATOM 0 H LEU A 130 5.274 -11.632 5.732 1.00 0.00 H new ATOM 0 HA LEU A 130 6.834 -12.341 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.658 -13.141 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.583 -14.145 5.242 1.00 0.00 H new ATOM 0 HG LEU A 130 8.554 -11.996 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.532 -12.187 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.871 -13.782 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.556 -13.095 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.064 -10.223 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.027 -11.035 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.315 -10.374 5.293 1.00 0.00 H new ATOM 2020 N ALA A 131 6.003 -14.511 2.600 1.00 0.00 N ATOM 2021 CA ALA A 131 5.415 -15.692 1.973 1.00 0.00 C ATOM 2022 C ALA A 131 5.146 -16.797 2.989 1.00 0.00 C ATOM 2023 O ALA A 131 6.049 -17.548 3.359 1.00 0.00 O ATOM 2024 CB ALA A 131 6.322 -16.203 0.865 1.00 0.00 C ATOM 0 H ALA A 131 6.783 -14.108 2.081 1.00 0.00 H new ATOM 0 HA ALA A 131 4.456 -15.398 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.874 -17.083 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.450 -15.425 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.294 -16.467 1.283 1.00 0.00 H new