USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 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 56 THR OG1 : rot 180:sc= -0.535 USER MOD Set 1.2: A 107 MET CE :methyl 137:sc= -1.05 (180deg=-2.14!) USER MOD Set 2.1: A 106 MET CE :methyl -175:sc= 0 (180deg=-0.048) USER MOD Set 2.2: A 114 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=0) USER MOD Set 3.2: A 47 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-1.3) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.453 F(o=-2,f=-0.45) USER MOD Single : A 16 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.28) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -149:sc= 2.06 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=-0.054) 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 -136:sc= 1.29 USER MOD Single : A 48 SER OG : rot 98:sc= 0.795 USER MOD Single : A 52 GLN :FLIP amide:sc= -2.18 F(o=-4.2,f=-2.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.5! C(o=-3.5!,f=-5!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.267 USER MOD Single : A 70 ASN : amide:sc= -1.47 K(o=-1.5,f=-2) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -2.74 X(o=-2.7,f=-2.5!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 65:sc= -0.234! USER MOD Single : A 89 ASN :FLIP amide:sc= -2.44! C(o=-3.1!,f=-2.4!) USER MOD Single : A 104 CYS SG : rot -124:sc= 1.55 USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.051 -18.920 -1.497 1.00 0.00 N ATOM 82 CA THR A 7 0.116 -18.024 -0.828 1.00 0.00 C ATOM 83 C THR A 7 -0.230 -16.836 -1.719 1.00 0.00 C ATOM 84 O THR A 7 -1.048 -15.992 -1.351 1.00 0.00 O ATOM 85 CB THR A 7 0.704 -17.531 0.498 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.324 -17.288 1.442 1.00 0.00 O ATOM 87 CG2 THR A 7 1.513 -16.255 0.364 1.00 0.00 C ATOM 0 HA THR A 7 -0.799 -18.581 -0.624 1.00 0.00 H new ATOM 0 HB THR A 7 1.369 -18.328 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.071 -16.975 2.283 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.899 -15.964 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.345 -16.422 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.877 -15.460 -0.026 1.00 0.00 H new ATOM 95 N CYS A 8 0.403 -16.771 -2.884 1.00 0.00 N ATOM 96 CA CYS A 8 0.165 -15.676 -3.815 1.00 0.00 C ATOM 97 C CYS A 8 -0.490 -16.169 -5.105 1.00 0.00 C ATOM 98 O CYS A 8 0.188 -16.402 -6.106 1.00 0.00 O ATOM 99 CB CYS A 8 1.477 -14.953 -4.128 1.00 0.00 C ATOM 100 SG CYS A 8 2.575 -14.754 -2.687 1.00 0.00 S ATOM 0 H CYS A 8 1.082 -17.461 -3.205 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.523 -14.977 -3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.008 -15.505 -4.903 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.249 -13.969 -4.537 1.00 0.00 H new ATOM 105 N PRO A 9 -1.826 -16.331 -5.096 1.00 0.00 N ATOM 106 CA PRO A 9 -2.573 -16.796 -6.268 1.00 0.00 C ATOM 107 C PRO A 9 -2.689 -15.726 -7.352 1.00 0.00 C ATOM 108 O PRO A 9 -2.010 -15.792 -8.376 1.00 0.00 O ATOM 109 CB PRO A 9 -3.951 -17.136 -5.698 1.00 0.00 C ATOM 110 CG PRO A 9 -4.096 -16.261 -4.500 1.00 0.00 C ATOM 111 CD PRO A 9 -2.710 -16.077 -3.940 1.00 0.00 C ATOM 0 HA PRO A 9 -2.080 -17.636 -6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.739 -16.943 -6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.018 -18.190 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.536 -15.301 -4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.756 -16.718 -3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.569 -15.072 -3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.512 -16.773 -3.125 1.00 0.00 H new ATOM 119 N GLU A 10 -3.559 -14.744 -7.123 1.00 0.00 N ATOM 120 CA GLU A 10 -3.767 -13.666 -8.084 1.00 0.00 C ATOM 121 C GLU A 10 -3.438 -12.307 -7.471 1.00 0.00 C ATOM 122 O GLU A 10 -2.357 -11.762 -7.695 1.00 0.00 O ATOM 123 CB GLU A 10 -5.214 -13.680 -8.583 1.00 0.00 C ATOM 124 CG GLU A 10 -5.532 -12.557 -9.556 1.00 0.00 C ATOM 125 CD GLU A 10 -6.697 -12.887 -10.467 1.00 0.00 C ATOM 126 OE1 GLU A 10 -7.776 -13.243 -9.947 1.00 0.00 O ATOM 127 OE2 GLU A 10 -6.533 -12.790 -11.702 1.00 0.00 O ATOM 0 H GLU A 10 -4.130 -14.674 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.094 -13.829 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.414 -14.636 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.885 -13.609 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.759 -11.650 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.651 -12.346 -10.162 1.00 0.00 H new ATOM 134 N LYS A 11 -4.380 -11.766 -6.702 1.00 0.00 N ATOM 135 CA LYS A 11 -4.199 -10.468 -6.058 1.00 0.00 C ATOM 136 C LYS A 11 -2.869 -10.410 -5.313 1.00 0.00 C ATOM 137 O LYS A 11 -2.192 -9.384 -5.305 1.00 0.00 O ATOM 138 CB LYS A 11 -5.351 -10.191 -5.088 1.00 0.00 C ATOM 139 CG LYS A 11 -6.725 -10.385 -5.706 1.00 0.00 C ATOM 140 CD LYS A 11 -7.639 -11.188 -4.796 1.00 0.00 C ATOM 141 CE LYS A 11 -9.003 -11.410 -5.429 1.00 0.00 C ATOM 142 NZ LYS A 11 -10.103 -10.869 -4.583 1.00 0.00 N ATOM 0 H LYS A 11 -5.279 -12.208 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.194 -9.703 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.254 -10.849 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.268 -9.168 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.174 -9.413 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.625 -10.895 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.179 -12.151 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.758 -10.666 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.030 -10.933 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.159 -12.477 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.016 -11.040 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.093 -11.342 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.968 -9.846 -4.451 1.00 0.00 H new ATOM 156 N TRP A 12 -2.502 -11.521 -4.694 1.00 0.00 N ATOM 157 CA TRP A 12 -1.255 -11.615 -3.950 1.00 0.00 C ATOM 158 C TRP A 12 -0.065 -11.641 -4.903 1.00 0.00 C ATOM 159 O TRP A 12 -0.116 -12.277 -5.957 1.00 0.00 O ATOM 160 CB TRP A 12 -1.246 -12.868 -3.077 1.00 0.00 C ATOM 161 CG TRP A 12 -2.305 -12.879 -2.015 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.651 -12.733 -2.193 1.00 0.00 C ATOM 163 CD2 TRP A 12 -2.103 -13.054 -0.608 1.00 0.00 C ATOM 164 NE1 TRP A 12 -4.298 -12.804 -0.982 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.368 -13.001 0.005 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.974 -13.249 0.192 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.535 -13.137 1.382 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -1.140 -13.385 1.558 1.00 0.00 C ATOM 169 CH2 TRP A 12 -2.412 -13.328 2.140 1.00 0.00 C ATOM 0 H TRP A 12 -3.056 -12.378 -4.692 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.175 -10.737 -3.309 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.375 -13.743 -3.714 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.269 -12.961 -2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.136 -12.584 -3.146 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.305 -12.723 -0.841 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.011 -13.293 -0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.515 -13.093 1.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.275 -13.538 2.186 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.509 -13.437 3.210 1.00 0.00 H new ATOM 180 N ILE A 13 1.006 -10.949 -4.529 1.00 0.00 N ATOM 181 CA ILE A 13 2.208 -10.894 -5.355 1.00 0.00 C ATOM 182 C ILE A 13 3.465 -11.127 -4.522 1.00 0.00 C ATOM 183 O ILE A 13 3.696 -10.438 -3.532 1.00 0.00 O ATOM 184 CB ILE A 13 2.334 -9.537 -6.074 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.006 -8.765 -6.026 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.789 -9.747 -7.506 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.062 -9.076 -7.172 1.00 0.00 C ATOM 0 H ILE A 13 1.067 -10.419 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 13 2.114 -11.687 -6.097 1.00 0.00 H new ATOM 0 HB ILE A 13 3.083 -8.938 -5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.503 -8.989 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.220 -7.696 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.875 -8.782 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.758 -10.246 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.061 -10.364 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.850 -8.489 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.543 -8.825 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.186 -10.137 -7.161 1.00 0.00 H new ATOM 199 N ASN A 14 4.279 -12.096 -4.934 1.00 0.00 N ATOM 200 CA ASN A 14 5.514 -12.419 -4.223 1.00 0.00 C ATOM 201 C ASN A 14 6.740 -11.943 -4.996 1.00 0.00 C ATOM 202 O ASN A 14 6.713 -11.839 -6.222 1.00 0.00 O ATOM 203 CB ASN A 14 5.608 -13.922 -3.967 1.00 0.00 C ATOM 204 CG ASN A 14 6.945 -14.330 -3.378 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.155 -14.009 -2.108 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 7.780 -14.927 -4.059 1.00 0.00 N flip ATOM 0 H ASN A 14 4.105 -12.672 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 14 5.491 -11.897 -3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.809 -14.222 -3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.449 -14.457 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.576 -15.154 -5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.675 -15.194 -3.650 1.00 0.00 H new ATOM 213 N PHE A 15 7.811 -11.648 -4.264 1.00 0.00 N ATOM 214 CA PHE A 15 9.050 -11.174 -4.873 1.00 0.00 C ATOM 215 C PHE A 15 10.251 -11.968 -4.359 1.00 0.00 C ATOM 216 O PHE A 15 10.244 -13.198 -4.383 1.00 0.00 O ATOM 217 CB PHE A 15 9.237 -9.682 -4.589 1.00 0.00 C ATOM 218 CG PHE A 15 7.966 -8.889 -4.676 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.534 -8.373 -5.887 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.201 -8.662 -3.544 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.363 -7.644 -5.967 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.031 -7.934 -3.616 1.00 0.00 C ATOM 223 CZ PHE A 15 5.609 -7.425 -4.830 1.00 0.00 C ATOM 0 H PHE A 15 7.846 -11.729 -3.248 1.00 0.00 H new ATOM 0 HA PHE A 15 8.982 -11.324 -5.950 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.663 -9.561 -3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.959 -9.274 -5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.119 -8.543 -6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.524 -9.060 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.038 -7.246 -6.917 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.446 -7.762 -2.725 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.692 -6.857 -4.890 1.00 0.00 H new ATOM 233 N GLN A 16 11.281 -11.256 -3.896 1.00 0.00 N ATOM 234 CA GLN A 16 12.485 -11.896 -3.379 1.00 0.00 C ATOM 235 C GLN A 16 12.138 -12.973 -2.359 1.00 0.00 C ATOM 236 O GLN A 16 12.678 -14.078 -2.402 1.00 0.00 O ATOM 237 CB GLN A 16 13.407 -10.853 -2.744 1.00 0.00 C ATOM 238 CG GLN A 16 13.802 -9.733 -3.693 1.00 0.00 C ATOM 239 CD GLN A 16 15.017 -10.083 -4.532 1.00 0.00 C ATOM 240 OE1 GLN A 16 16.043 -10.516 -4.009 1.00 0.00 O ATOM 241 NE2 GLN A 16 14.905 -9.893 -5.842 1.00 0.00 N ATOM 0 H GLN A 16 11.302 -10.237 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 16 13.001 -12.369 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.911 -10.423 -1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.309 -11.348 -2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.963 -9.506 -4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.009 -8.830 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.035 -9.532 -6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.689 -10.108 -6.457 1.00 0.00 H new ATOM 250 N ARG A 17 11.228 -12.648 -1.443 1.00 0.00 N ATOM 251 CA ARG A 17 10.811 -13.598 -0.419 1.00 0.00 C ATOM 252 C ARG A 17 9.534 -13.141 0.276 1.00 0.00 C ATOM 253 O ARG A 17 9.010 -13.837 1.146 1.00 0.00 O ATOM 254 CB ARG A 17 11.925 -13.797 0.610 1.00 0.00 C ATOM 255 CG ARG A 17 12.365 -12.509 1.288 1.00 0.00 C ATOM 256 CD ARG A 17 13.760 -12.097 0.847 1.00 0.00 C ATOM 257 NE ARG A 17 14.674 -11.962 1.979 1.00 0.00 N ATOM 258 CZ ARG A 17 15.773 -11.214 1.954 1.00 0.00 C ATOM 259 NH1 ARG A 17 16.091 -10.534 0.860 1.00 0.00 N ATOM 260 NH2 ARG A 17 16.553 -11.144 3.023 1.00 0.00 N ATOM 0 H ARG A 17 10.769 -11.739 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 17 10.607 -14.548 -0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.584 -14.500 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.785 -14.251 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.658 -11.713 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.348 -12.642 2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.153 -12.837 0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.706 -11.150 0.310 1.00 0.00 H new ATOM 0 HE ARG A 17 14.457 -12.470 2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.492 -10.584 0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.935 -9.961 0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.311 -11.664 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.396 -10.570 3.003 1.00 0.00 H new ATOM 274 N LYS A 18 9.033 -11.974 -0.111 1.00 0.00 N ATOM 275 CA LYS A 18 7.819 -11.439 0.474 1.00 0.00 C ATOM 276 C LYS A 18 6.703 -11.388 -0.548 1.00 0.00 C ATOM 277 O LYS A 18 6.936 -11.361 -1.753 1.00 0.00 O ATOM 278 CB LYS A 18 8.044 -10.041 1.032 1.00 0.00 C ATOM 279 CG LYS A 18 8.289 -8.997 -0.039 1.00 0.00 C ATOM 280 CD LYS A 18 9.642 -8.335 0.139 1.00 0.00 C ATOM 281 CE LYS A 18 9.507 -6.943 0.735 1.00 0.00 C ATOM 282 NZ LYS A 18 10.647 -6.063 0.357 1.00 0.00 N ATOM 0 H LYS A 18 9.452 -11.383 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 18 7.535 -12.106 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.175 -9.749 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.897 -10.062 1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.236 -9.463 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.504 -8.242 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.267 -8.950 0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.147 -8.272 -0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.574 -6.493 0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.451 -7.017 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.525 -5.129 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.537 -6.488 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.676 -5.957 -0.677 1.00 0.00 H new ATOM 296 N CYS A 19 5.493 -11.358 -0.042 1.00 0.00 N ATOM 297 CA CYS A 19 4.309 -11.294 -0.876 1.00 0.00 C ATOM 298 C CYS A 19 3.458 -10.097 -0.478 1.00 0.00 C ATOM 299 O CYS A 19 3.666 -9.499 0.576 1.00 0.00 O ATOM 300 CB CYS A 19 3.501 -12.591 -0.766 1.00 0.00 C ATOM 301 SG CYS A 19 2.280 -12.832 -2.100 1.00 0.00 S ATOM 0 H CYS A 19 5.298 -11.377 0.959 1.00 0.00 H new ATOM 0 HA CYS A 19 4.618 -11.175 -1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.190 -13.435 -0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.981 -12.601 0.192 1.00 0.00 H new ATOM 306 N TYR A 20 2.504 -9.752 -1.327 1.00 0.00 N ATOM 307 CA TYR A 20 1.620 -8.624 -1.071 1.00 0.00 C ATOM 308 C TYR A 20 0.174 -9.078 -1.112 1.00 0.00 C ATOM 309 O TYR A 20 -0.239 -9.769 -2.037 1.00 0.00 O ATOM 310 CB TYR A 20 1.818 -7.527 -2.126 1.00 0.00 C ATOM 311 CG TYR A 20 3.000 -6.609 -1.896 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.029 -6.946 -1.026 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.075 -5.392 -2.558 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.101 -6.095 -0.826 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.140 -4.536 -2.365 1.00 0.00 C ATOM 316 CZ TYR A 20 5.150 -4.891 -1.497 1.00 0.00 C ATOM 317 OH TYR A 20 6.214 -4.040 -1.300 1.00 0.00 O ATOM 0 H TYR A 20 2.320 -10.239 -2.204 1.00 0.00 H new ATOM 0 HA TYR A 20 1.861 -8.226 -0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.932 -8.001 -3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.913 -6.921 -2.170 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.992 -7.887 -0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.285 -5.109 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.895 -6.372 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.182 -3.594 -2.891 1.00 0.00 H new ATOM 0 HH TYR A 20 6.096 -3.236 -1.848 1.00 0.00 H new ATOM 327 N TYR A 21 -0.594 -8.673 -0.118 1.00 0.00 N ATOM 328 CA TYR A 21 -1.997 -9.027 -0.056 1.00 0.00 C ATOM 329 C TYR A 21 -2.821 -7.868 -0.600 1.00 0.00 C ATOM 330 O TYR A 21 -2.910 -6.805 0.013 1.00 0.00 O ATOM 331 CB TYR A 21 -2.385 -9.348 1.390 1.00 0.00 C ATOM 332 CG TYR A 21 -3.874 -9.421 1.646 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.741 -9.973 0.711 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.408 -8.941 2.834 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.099 -10.044 0.954 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.763 -9.007 3.085 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.606 -9.560 2.142 1.00 0.00 C ATOM 338 OH TYR A 21 -7.957 -9.630 2.388 1.00 0.00 O ATOM 0 H TYR A 21 -0.268 -8.097 0.658 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.191 -9.912 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.935 -10.301 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.955 -8.589 2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.347 -10.352 -0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.752 -8.508 3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.760 -10.476 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.162 -8.628 4.014 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.225 -8.879 2.958 1.00 0.00 H new ATOM 348 N PHE A 22 -3.395 -8.081 -1.775 1.00 0.00 N ATOM 349 CA PHE A 22 -4.186 -7.066 -2.445 1.00 0.00 C ATOM 350 C PHE A 22 -5.676 -7.285 -2.193 1.00 0.00 C ATOM 351 O PHE A 22 -6.214 -8.351 -2.495 1.00 0.00 O ATOM 352 CB PHE A 22 -3.870 -7.110 -3.946 1.00 0.00 C ATOM 353 CG PHE A 22 -2.517 -6.538 -4.311 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.648 -6.078 -3.330 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.112 -6.467 -5.637 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.411 -5.559 -3.663 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.871 -5.950 -5.976 1.00 0.00 C ATOM 358 CZ PHE A 22 -0.020 -5.495 -4.985 1.00 0.00 C ATOM 0 H PHE A 22 -3.324 -8.960 -2.287 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.933 -6.083 -2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.919 -8.144 -4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.642 -6.561 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.943 -6.127 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.773 -6.819 -6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.251 -5.203 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.569 -5.903 -7.012 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.947 -5.091 -5.245 1.00 0.00 H new ATOM 368 N GLY A 23 -6.336 -6.277 -1.623 1.00 0.00 N ATOM 369 CA GLY A 23 -7.753 -6.396 -1.328 1.00 0.00 C ATOM 370 C GLY A 23 -8.551 -5.168 -1.706 1.00 0.00 C ATOM 371 O GLY A 23 -7.992 -4.145 -2.101 1.00 0.00 O ATOM 0 H GLY A 23 -5.916 -5.385 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.156 -7.259 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.880 -6.589 -0.263 1.00 0.00 H new ATOM 375 N LYS A 24 -9.870 -5.276 -1.576 1.00 0.00 N ATOM 376 CA LYS A 24 -10.771 -4.177 -1.897 1.00 0.00 C ATOM 377 C LYS A 24 -11.909 -4.102 -0.887 1.00 0.00 C ATOM 378 O LYS A 24 -12.285 -5.105 -0.280 1.00 0.00 O ATOM 379 CB LYS A 24 -11.330 -4.344 -3.312 1.00 0.00 C ATOM 380 CG LYS A 24 -12.413 -3.338 -3.668 1.00 0.00 C ATOM 381 CD LYS A 24 -13.258 -3.818 -4.837 1.00 0.00 C ATOM 382 CE LYS A 24 -14.339 -4.786 -4.383 1.00 0.00 C ATOM 383 NZ LYS A 24 -15.652 -4.491 -5.020 1.00 0.00 N ATOM 0 H LYS A 24 -10.340 -6.120 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.206 -3.246 -1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.513 -4.253 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.734 -5.351 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.052 -3.168 -2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.954 -2.381 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.719 -2.962 -5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.619 -4.304 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.039 -5.805 -4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.441 -4.733 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.362 -5.173 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.951 -3.527 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.561 -4.566 -6.053 1.00 0.00 H new ATOM 440 N GLN A 28 -10.556 4.195 5.112 1.00 0.00 N ATOM 441 CA GLN A 28 -9.471 5.126 4.815 1.00 0.00 C ATOM 442 C GLN A 28 -8.111 4.462 5.008 1.00 0.00 C ATOM 443 O GLN A 28 -8.023 3.250 5.204 1.00 0.00 O ATOM 444 CB GLN A 28 -9.578 6.365 5.705 1.00 0.00 C ATOM 445 CG GLN A 28 -10.930 7.055 5.627 1.00 0.00 C ATOM 446 CD GLN A 28 -11.195 7.957 6.816 1.00 0.00 C ATOM 447 OE1 GLN A 28 -11.220 7.503 7.961 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.394 9.242 6.551 1.00 0.00 N ATOM 0 HA GLN A 28 -9.561 5.427 3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.385 6.077 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.800 7.074 5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.981 7.644 4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.715 6.301 5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.364 9.575 5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.577 9.897 7.311 1.00 0.00 H new ATOM 457 N TRP A 29 -7.051 5.267 4.951 1.00 0.00 N ATOM 458 CA TRP A 29 -5.694 4.760 5.119 1.00 0.00 C ATOM 459 C TRP A 29 -5.536 4.068 6.465 1.00 0.00 C ATOM 460 O TRP A 29 -5.043 2.942 6.541 1.00 0.00 O ATOM 461 CB TRP A 29 -4.679 5.900 4.996 1.00 0.00 C ATOM 462 CG TRP A 29 -3.271 5.471 5.283 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.372 4.963 4.391 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.603 5.512 6.549 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.185 4.683 5.026 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.302 5.013 6.351 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.977 5.921 7.831 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.376 4.913 7.385 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.057 5.822 8.859 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.770 5.322 8.630 1.00 0.00 C ATOM 0 H TRP A 29 -7.108 6.273 4.790 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.507 4.031 4.331 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.728 6.314 3.989 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.956 6.700 5.683 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.565 4.804 3.340 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.353 4.293 4.583 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.968 6.308 8.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.617 4.527 7.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.336 6.135 9.854 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.073 5.258 9.453 1.00 0.00 H new ATOM 481 N VAL A 30 -5.959 4.749 7.521 1.00 0.00 N ATOM 482 CA VAL A 30 -5.870 4.202 8.868 1.00 0.00 C ATOM 483 C VAL A 30 -6.563 2.850 8.944 1.00 0.00 C ATOM 484 O VAL A 30 -6.167 1.977 9.715 1.00 0.00 O ATOM 485 CB VAL A 30 -6.495 5.150 9.908 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.590 6.347 10.152 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.876 5.602 9.458 1.00 0.00 C ATOM 0 H VAL A 30 -6.368 5.682 7.471 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.811 4.084 9.097 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.603 4.607 10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.049 7.005 10.890 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.624 6.003 10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.447 6.892 9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.301 6.271 10.206 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.795 6.127 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.523 4.733 9.339 1.00 0.00 H new ATOM 497 N HIS A 31 -7.602 2.683 8.135 1.00 0.00 N ATOM 498 CA HIS A 31 -8.346 1.435 8.106 1.00 0.00 C ATOM 499 C HIS A 31 -7.531 0.339 7.432 1.00 0.00 C ATOM 500 O HIS A 31 -7.642 -0.834 7.788 1.00 0.00 O ATOM 501 CB HIS A 31 -9.679 1.622 7.380 1.00 0.00 C ATOM 502 CG HIS A 31 -10.833 0.966 8.074 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.509 1.549 9.125 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.431 -0.230 7.862 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.471 0.739 9.531 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.446 -0.347 8.780 1.00 0.00 N ATOM 0 H HIS A 31 -7.946 3.396 7.492 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.547 1.135 9.135 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.883 2.688 7.280 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.594 1.218 6.371 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.160 -0.957 7.111 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.160 0.932 10.340 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.078 -1.143 8.867 1.00 0.00 H new ATOM 515 N ALA A 32 -6.710 0.725 6.458 1.00 0.00 N ATOM 516 CA ALA A 32 -5.880 -0.235 5.748 1.00 0.00 C ATOM 517 C ALA A 32 -4.766 -0.752 6.647 1.00 0.00 C ATOM 518 O ALA A 32 -4.548 -1.957 6.749 1.00 0.00 O ATOM 519 CB ALA A 32 -5.296 0.396 4.492 1.00 0.00 C ATOM 0 H ALA A 32 -6.604 1.691 6.146 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.505 -1.079 5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.677 -0.335 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.105 0.719 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.687 1.257 4.767 1.00 0.00 H new ATOM 525 N ARG A 33 -4.071 0.166 7.305 1.00 0.00 N ATOM 526 CA ARG A 33 -2.986 -0.199 8.201 1.00 0.00 C ATOM 527 C ARG A 33 -3.495 -1.046 9.361 1.00 0.00 C ATOM 528 O ARG A 33 -2.835 -1.993 9.786 1.00 0.00 O ATOM 529 CB ARG A 33 -2.284 1.053 8.734 1.00 0.00 C ATOM 530 CG ARG A 33 -3.229 2.065 9.357 1.00 0.00 C ATOM 531 CD ARG A 33 -3.134 2.057 10.874 1.00 0.00 C ATOM 532 NE ARG A 33 -3.191 3.404 11.434 1.00 0.00 N ATOM 533 CZ ARG A 33 -2.965 3.682 12.714 1.00 0.00 C ATOM 534 NH1 ARG A 33 -2.667 2.709 13.565 1.00 0.00 N ATOM 535 NH2 ARG A 33 -3.037 4.933 13.145 1.00 0.00 N ATOM 0 H ARG A 33 -4.241 1.169 7.234 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.269 -0.791 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.544 0.755 9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.742 1.530 7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.995 3.061 8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.252 1.843 9.054 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.948 1.459 11.285 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.203 1.578 11.176 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.417 4.176 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.611 1.745 13.238 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.494 2.925 14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.266 5.684 12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.863 5.145 14.128 1.00 0.00 H new ATOM 549 N TYR A 34 -4.671 -0.698 9.873 1.00 0.00 N ATOM 550 CA TYR A 34 -5.263 -1.426 10.988 1.00 0.00 C ATOM 551 C TYR A 34 -5.778 -2.793 10.549 1.00 0.00 C ATOM 552 O TYR A 34 -5.670 -3.774 11.285 1.00 0.00 O ATOM 553 CB TYR A 34 -6.402 -0.614 11.607 1.00 0.00 C ATOM 554 CG TYR A 34 -6.596 -0.871 13.085 1.00 0.00 C ATOM 555 CD1 TYR A 34 -7.400 -1.913 13.528 1.00 0.00 C ATOM 556 CD2 TYR A 34 -5.974 -0.072 14.035 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.580 -2.151 14.878 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.148 -0.303 15.387 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.952 -1.344 15.803 1.00 0.00 C ATOM 560 OH TYR A 34 -7.128 -1.578 17.147 1.00 0.00 O ATOM 0 H TYR A 34 -5.232 0.083 9.533 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.484 -1.581 11.735 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.205 0.447 11.454 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.329 -0.845 11.082 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.893 -2.548 12.806 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.344 0.744 13.712 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.209 -2.965 15.206 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.657 0.328 16.113 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.616 -0.921 17.663 1.00 0.00 H new ATOM 570 N ALA A 35 -6.345 -2.850 9.350 1.00 0.00 N ATOM 571 CA ALA A 35 -6.886 -4.096 8.820 1.00 0.00 C ATOM 572 C ALA A 35 -5.783 -5.100 8.517 1.00 0.00 C ATOM 573 O ALA A 35 -5.940 -6.297 8.755 1.00 0.00 O ATOM 574 CB ALA A 35 -7.714 -3.827 7.573 1.00 0.00 C ATOM 0 H ALA A 35 -6.442 -2.049 8.727 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.530 -4.530 9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.111 -4.767 7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.539 -3.159 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.087 -3.361 6.813 1.00 0.00 H new ATOM 580 N CYS A 36 -4.667 -4.609 7.993 1.00 0.00 N ATOM 581 CA CYS A 36 -3.545 -5.473 7.664 1.00 0.00 C ATOM 582 C CYS A 36 -2.761 -5.833 8.921 1.00 0.00 C ATOM 583 O CYS A 36 -2.106 -6.873 8.981 1.00 0.00 O ATOM 584 CB CYS A 36 -2.630 -4.791 6.645 1.00 0.00 C ATOM 585 SG CYS A 36 -3.512 -4.068 5.223 1.00 0.00 S ATOM 0 H CYS A 36 -4.517 -3.621 7.788 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.934 -6.391 7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.066 -4.005 7.147 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.906 -5.518 6.278 1.00 0.00 H new ATOM 590 N ASP A 37 -2.841 -4.964 9.924 1.00 0.00 N ATOM 591 CA ASP A 37 -2.147 -5.186 11.187 1.00 0.00 C ATOM 592 C ASP A 37 -2.856 -6.248 12.022 1.00 0.00 C ATOM 593 O ASP A 37 -2.252 -6.868 12.898 1.00 0.00 O ATOM 594 CB ASP A 37 -2.050 -3.881 11.977 1.00 0.00 C ATOM 595 CG ASP A 37 -1.041 -3.962 13.106 1.00 0.00 C ATOM 596 OD1 ASP A 37 0.142 -4.245 12.825 1.00 0.00 O ATOM 597 OD2 ASP A 37 -1.435 -3.743 14.272 1.00 0.00 O ATOM 0 H ASP A 37 -3.380 -4.099 9.886 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.142 -5.541 10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.772 -3.071 11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.030 -3.633 12.386 1.00 0.00 H new ATOM 602 N ASP A 38 -4.143 -6.440 11.754 1.00 0.00 N ATOM 603 CA ASP A 38 -4.943 -7.415 12.489 1.00 0.00 C ATOM 604 C ASP A 38 -4.360 -8.820 12.376 1.00 0.00 C ATOM 605 O ASP A 38 -4.350 -9.572 13.351 1.00 0.00 O ATOM 606 CB ASP A 38 -6.384 -7.410 11.976 1.00 0.00 C ATOM 607 CG ASP A 38 -7.375 -7.867 13.029 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.334 -9.058 13.405 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.190 -7.036 13.479 1.00 0.00 O ATOM 0 H ASP A 38 -4.656 -5.933 11.033 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.929 -7.127 13.540 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.646 -6.404 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.459 -8.060 11.104 1.00 0.00 H new ATOM 614 N MET A 39 -3.875 -9.167 11.188 1.00 0.00 N ATOM 615 CA MET A 39 -3.293 -10.487 10.956 1.00 0.00 C ATOM 616 C MET A 39 -2.655 -10.585 9.572 1.00 0.00 C ATOM 617 O MET A 39 -1.710 -11.349 9.374 1.00 0.00 O ATOM 618 CB MET A 39 -4.363 -11.571 11.104 1.00 0.00 C ATOM 619 CG MET A 39 -4.251 -12.360 12.395 1.00 0.00 C ATOM 620 SD MET A 39 -5.477 -13.676 12.516 1.00 0.00 S ATOM 621 CE MET A 39 -4.568 -15.051 11.815 1.00 0.00 C ATOM 0 H MET A 39 -3.873 -8.555 10.372 1.00 0.00 H new ATOM 0 HA MET A 39 -2.513 -10.637 11.703 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.348 -11.107 11.055 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.292 -12.258 10.261 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.253 -12.792 12.467 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.367 -11.683 13.241 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.195 -15.942 11.820 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.283 -14.814 10.790 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.672 -15.235 12.408 1.00 0.00 H new ATOM 631 N GLU A 40 -3.185 -9.822 8.618 1.00 0.00 N ATOM 632 CA GLU A 40 -2.675 -9.833 7.249 1.00 0.00 C ATOM 633 C GLU A 40 -1.148 -9.749 7.219 1.00 0.00 C ATOM 634 O GLU A 40 -0.467 -10.774 7.200 1.00 0.00 O ATOM 635 CB GLU A 40 -3.288 -8.683 6.445 1.00 0.00 C ATOM 636 CG GLU A 40 -4.809 -8.685 6.438 1.00 0.00 C ATOM 637 CD GLU A 40 -5.396 -10.078 6.303 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.937 -10.833 5.420 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.315 -10.413 7.080 1.00 0.00 O ATOM 0 H GLU A 40 -3.969 -9.187 8.769 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.965 -10.779 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.937 -7.736 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.929 -8.738 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.172 -8.231 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.165 -8.065 5.615 1.00 0.00 H new ATOM 646 N GLY A 41 -0.613 -8.530 7.211 1.00 0.00 N ATOM 647 CA GLY A 41 0.831 -8.366 7.181 1.00 0.00 C ATOM 648 C GLY A 41 1.298 -7.023 7.710 1.00 0.00 C ATOM 649 O GLY A 41 1.441 -6.833 8.918 1.00 0.00 O ATOM 0 H GLY A 41 -1.147 -7.661 7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.291 -9.160 7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.181 -8.486 6.156 1.00 0.00 H new ATOM 653 N GLN A 42 1.558 -6.105 6.792 1.00 0.00 N ATOM 654 CA GLN A 42 2.042 -4.776 7.120 1.00 0.00 C ATOM 655 C GLN A 42 1.589 -3.828 6.037 1.00 0.00 C ATOM 656 O GLN A 42 1.236 -4.270 4.950 1.00 0.00 O ATOM 657 CB GLN A 42 3.569 -4.767 7.197 1.00 0.00 C ATOM 658 CG GLN A 42 4.172 -3.371 7.235 1.00 0.00 C ATOM 659 CD GLN A 42 5.686 -3.385 7.159 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.351 -4.085 7.923 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.237 -2.608 6.235 1.00 0.00 N ATOM 0 H GLN A 42 1.438 -6.264 5.792 1.00 0.00 H new ATOM 0 HA GLN A 42 1.646 -4.471 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.882 -5.313 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.970 -5.303 6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.776 -2.786 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.863 -2.871 8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.646 -2.045 5.624 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.252 -2.574 6.136 1.00 0.00 H new ATOM 670 N LEU A 43 1.598 -2.535 6.287 1.00 0.00 N ATOM 671 CA LEU A 43 1.187 -1.648 5.239 1.00 0.00 C ATOM 672 C LEU A 43 2.319 -1.611 4.226 1.00 0.00 C ATOM 673 O LEU A 43 3.428 -1.156 4.509 1.00 0.00 O ATOM 674 CB LEU A 43 0.893 -0.252 5.795 1.00 0.00 C ATOM 675 CG LEU A 43 -0.297 0.477 5.167 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.554 -0.370 5.238 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.519 1.812 5.858 1.00 0.00 C ATOM 0 H LEU A 43 1.873 -2.097 7.166 1.00 0.00 H new ATOM 0 HA LEU A 43 0.266 -1.996 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.718 -0.338 6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.782 0.365 5.666 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.070 0.657 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.384 0.172 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.394 -1.304 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.788 -0.587 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.368 2.321 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.721 1.645 6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.373 2.429 5.752 1.00 0.00 H new ATOM 689 N VAL A 44 2.004 -2.157 3.062 1.00 0.00 N ATOM 690 CA VAL A 44 2.927 -2.298 1.941 1.00 0.00 C ATOM 691 C VAL A 44 4.098 -1.330 1.972 1.00 0.00 C ATOM 692 O VAL A 44 5.240 -1.732 2.195 1.00 0.00 O ATOM 693 CB VAL A 44 2.177 -2.148 0.613 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.926 -3.513 0.002 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.867 -1.405 0.827 1.00 0.00 C ATOM 0 H VAL A 44 1.074 -2.525 2.863 1.00 0.00 H new ATOM 0 HA VAL A 44 3.350 -3.298 2.035 1.00 0.00 H new ATOM 0 HB VAL A 44 2.790 -1.567 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.393 -3.397 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.878 -4.011 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.326 -4.113 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.345 -1.306 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.243 -1.961 1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.073 -0.414 1.233 1.00 0.00 H new ATOM 705 N SER A 45 3.814 -0.068 1.713 1.00 0.00 N ATOM 706 CA SER A 45 4.854 0.955 1.675 1.00 0.00 C ATOM 707 C SER A 45 5.812 0.661 0.527 1.00 0.00 C ATOM 708 O SER A 45 7.029 0.610 0.707 1.00 0.00 O ATOM 709 CB SER A 45 5.618 1.004 2.998 1.00 0.00 C ATOM 710 OG SER A 45 6.050 2.320 3.288 1.00 0.00 O ATOM 0 H SER A 45 2.873 0.278 1.525 1.00 0.00 H new ATOM 0 HA SER A 45 4.385 1.927 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.980 0.642 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.479 0.338 2.949 1.00 0.00 H new ATOM 0 HG SER A 45 6.976 2.297 3.608 1.00 0.00 H new ATOM 716 N ILE A 46 5.231 0.446 -0.649 1.00 0.00 N ATOM 717 CA ILE A 46 5.985 0.127 -1.858 1.00 0.00 C ATOM 718 C ILE A 46 7.251 0.967 -1.979 1.00 0.00 C ATOM 719 O ILE A 46 7.240 2.173 -1.731 1.00 0.00 O ATOM 720 CB ILE A 46 5.132 0.315 -3.134 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.831 1.064 -2.819 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.835 -1.034 -3.777 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.732 0.183 -2.258 1.00 0.00 C ATOM 0 H ILE A 46 4.222 0.488 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 46 6.265 -0.923 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 46 5.703 0.917 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.045 1.859 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.470 1.542 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.234 -0.885 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.771 -1.523 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.287 -1.660 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.846 0.787 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.487 -0.597 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.072 -0.275 -1.329 1.00 0.00 H new ATOM 735 N HIS A 47 8.343 0.313 -2.365 1.00 0.00 N ATOM 736 CA HIS A 47 9.629 0.981 -2.527 1.00 0.00 C ATOM 737 C HIS A 47 10.235 0.662 -3.887 1.00 0.00 C ATOM 738 O HIS A 47 11.322 1.136 -4.220 1.00 0.00 O ATOM 739 CB HIS A 47 10.589 0.552 -1.418 1.00 0.00 C ATOM 740 CG HIS A 47 10.694 -0.932 -1.256 1.00 0.00 C ATOM 741 ND1 HIS A 47 9.649 -1.717 -0.812 1.00 0.00 N ATOM 742 CD2 HIS A 47 11.727 -1.778 -1.481 1.00 0.00 C ATOM 743 CE1 HIS A 47 10.036 -2.980 -0.770 1.00 0.00 C ATOM 744 NE2 HIS A 47 11.292 -3.044 -1.172 1.00 0.00 N ATOM 0 H HIS A 47 8.361 -0.686 -2.572 1.00 0.00 H new ATOM 0 HA HIS A 47 9.465 2.057 -2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.579 0.957 -1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.260 0.989 -0.475 1.00 0.00 H new ATOM 0 HD2 HIS A 47 12.710 -1.508 -1.837 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.428 -3.817 -0.460 1.00 0.00 H new ATOM 0 HE2 HIS A 47 11.849 -3.896 -1.242 1.00 0.00 H new ATOM 753 N SER A 48 9.525 -0.141 -4.675 1.00 0.00 N ATOM 754 CA SER A 48 9.992 -0.518 -5.998 1.00 0.00 C ATOM 755 C SER A 48 9.001 -0.064 -7.058 1.00 0.00 C ATOM 756 O SER A 48 7.830 -0.435 -7.015 1.00 0.00 O ATOM 757 CB SER A 48 10.191 -2.033 -6.082 1.00 0.00 C ATOM 758 OG SER A 48 10.932 -2.512 -4.973 1.00 0.00 O ATOM 0 H SER A 48 8.623 -0.542 -4.416 1.00 0.00 H new ATOM 0 HA SER A 48 10.949 -0.028 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.221 -2.529 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.711 -2.284 -7.007 1.00 0.00 H new ATOM 0 HG SER A 48 10.317 -2.869 -4.299 1.00 0.00 H new ATOM 764 N PRO A 49 9.456 0.748 -8.027 1.00 0.00 N ATOM 765 CA PRO A 49 8.593 1.245 -9.098 1.00 0.00 C ATOM 766 C PRO A 49 7.743 0.130 -9.693 1.00 0.00 C ATOM 767 O PRO A 49 6.627 0.365 -10.159 1.00 0.00 O ATOM 768 CB PRO A 49 9.589 1.782 -10.124 1.00 0.00 C ATOM 769 CG PRO A 49 10.765 2.207 -9.310 1.00 0.00 C ATOM 770 CD PRO A 49 10.842 1.241 -8.158 1.00 0.00 C ATOM 0 HA PRO A 49 7.881 1.995 -8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.864 1.017 -10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.171 2.618 -10.685 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.680 2.182 -9.903 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.644 3.230 -8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.539 0.428 -8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.181 1.731 -7.245 1.00 0.00 H new ATOM 778 N GLU A 50 8.274 -1.090 -9.656 1.00 0.00 N ATOM 779 CA GLU A 50 7.564 -2.250 -10.172 1.00 0.00 C ATOM 780 C GLU A 50 6.431 -2.649 -9.242 1.00 0.00 C ATOM 781 O GLU A 50 5.318 -2.922 -9.686 1.00 0.00 O ATOM 782 CB GLU A 50 8.518 -3.430 -10.346 1.00 0.00 C ATOM 783 CG GLU A 50 7.821 -4.715 -10.746 1.00 0.00 C ATOM 784 CD GLU A 50 8.666 -5.945 -10.481 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.110 -6.123 -9.327 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.885 -6.730 -11.428 1.00 0.00 O ATOM 0 H GLU A 50 9.196 -1.298 -9.272 1.00 0.00 H new ATOM 0 HA GLU A 50 7.147 -1.980 -11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.261 -3.178 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.056 -3.593 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.882 -4.800 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.570 -4.673 -11.806 1.00 0.00 H new ATOM 793 N GLU A 51 6.730 -2.691 -7.949 1.00 0.00 N ATOM 794 CA GLU A 51 5.740 -3.069 -6.954 1.00 0.00 C ATOM 795 C GLU A 51 4.599 -2.060 -6.916 1.00 0.00 C ATOM 796 O GLU A 51 3.429 -2.436 -6.869 1.00 0.00 O ATOM 797 CB GLU A 51 6.394 -3.192 -5.576 1.00 0.00 C ATOM 798 CG GLU A 51 7.471 -4.263 -5.507 1.00 0.00 C ATOM 799 CD GLU A 51 8.124 -4.344 -4.140 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.578 -3.296 -3.636 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.180 -5.456 -3.575 1.00 0.00 O ATOM 0 H GLU A 51 7.649 -2.468 -7.568 1.00 0.00 H new ATOM 0 HA GLU A 51 5.326 -4.038 -7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.831 -2.231 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.625 -3.414 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.033 -5.230 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.233 -4.056 -6.258 1.00 0.00 H new ATOM 808 N GLN A 52 4.945 -0.776 -6.953 1.00 0.00 N ATOM 809 CA GLN A 52 3.941 0.283 -6.938 1.00 0.00 C ATOM 810 C GLN A 52 3.084 0.205 -8.195 1.00 0.00 C ATOM 811 O GLN A 52 1.867 0.372 -8.144 1.00 0.00 O ATOM 812 CB GLN A 52 4.609 1.661 -6.823 1.00 0.00 C ATOM 813 CG GLN A 52 4.987 2.281 -8.163 1.00 0.00 C ATOM 814 CD GLN A 52 3.964 3.282 -8.680 1.00 0.00 C ATOM 815 OE1 GLN A 52 2.759 3.271 -8.113 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 4.256 4.065 -9.584 1.00 0.00 N flip ATOM 0 H GLN A 52 5.909 -0.445 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 52 3.300 0.145 -6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.934 2.338 -6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.506 1.568 -6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.952 2.778 -8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.111 1.487 -8.899 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.189 4.045 -9.995 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.565 4.734 -9.922 1.00 0.00 H new ATOM 825 N ASP A 53 3.732 -0.075 -9.319 1.00 0.00 N ATOM 826 CA ASP A 53 3.048 -0.208 -10.594 1.00 0.00 C ATOM 827 C ASP A 53 2.184 -1.458 -10.582 1.00 0.00 C ATOM 828 O ASP A 53 1.114 -1.500 -11.189 1.00 0.00 O ATOM 829 CB ASP A 53 4.060 -0.276 -11.739 1.00 0.00 C ATOM 830 CG ASP A 53 3.423 -0.015 -13.091 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.404 0.706 -13.138 1.00 0.00 O ATOM 832 OD2 ASP A 53 3.942 -0.533 -14.102 1.00 0.00 O ATOM 0 H ASP A 53 4.741 -0.215 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 53 2.413 0.665 -10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.850 0.455 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.531 -1.259 -11.746 1.00 0.00 H new ATOM 837 N PHE A 54 2.680 -2.483 -9.900 1.00 0.00 N ATOM 838 CA PHE A 54 1.997 -3.757 -9.803 1.00 0.00 C ATOM 839 C PHE A 54 0.622 -3.607 -9.168 1.00 0.00 C ATOM 840 O PHE A 54 -0.381 -4.063 -9.718 1.00 0.00 O ATOM 841 CB PHE A 54 2.844 -4.702 -8.959 1.00 0.00 C ATOM 842 CG PHE A 54 3.314 -5.915 -9.699 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.486 -7.013 -9.841 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.584 -5.957 -10.250 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.913 -8.134 -10.521 1.00 0.00 C ATOM 846 CE2 PHE A 54 5.020 -7.074 -10.932 1.00 0.00 C ATOM 847 CZ PHE A 54 4.184 -8.167 -11.068 1.00 0.00 C ATOM 0 H PHE A 54 3.568 -2.449 -9.400 1.00 0.00 H new ATOM 0 HA PHE A 54 1.859 -4.155 -10.808 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.711 -4.159 -8.582 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.264 -5.019 -8.092 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.494 -6.993 -9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.240 -5.106 -10.145 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.257 -8.985 -10.627 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.012 -7.095 -11.359 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.522 -9.044 -11.600 1.00 0.00 H new ATOM 857 N LEU A 55 0.578 -2.952 -8.018 1.00 0.00 N ATOM 858 CA LEU A 55 -0.680 -2.727 -7.323 1.00 0.00 C ATOM 859 C LEU A 55 -1.486 -1.660 -8.038 1.00 0.00 C ATOM 860 O LEU A 55 -2.713 -1.699 -8.055 1.00 0.00 O ATOM 861 CB LEU A 55 -0.432 -2.310 -5.881 1.00 0.00 C ATOM 862 CG LEU A 55 0.817 -1.473 -5.671 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.450 -0.005 -5.592 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.545 -1.925 -4.420 1.00 0.00 C ATOM 0 H LEU A 55 1.397 -2.568 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.243 -3.660 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.295 -1.747 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.361 -3.206 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 55 1.488 -1.610 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.352 0.588 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.034 0.300 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.233 0.155 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.439 -1.317 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.890 -1.811 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.830 -2.972 -4.523 1.00 0.00 H new ATOM 876 N THR A 56 -0.776 -0.704 -8.626 1.00 0.00 N ATOM 877 CA THR A 56 -1.409 0.382 -9.352 1.00 0.00 C ATOM 878 C THR A 56 -2.220 -0.182 -10.510 1.00 0.00 C ATOM 879 O THR A 56 -3.347 0.245 -10.766 1.00 0.00 O ATOM 880 CB THR A 56 -0.345 1.366 -9.856 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.511 2.638 -9.258 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.354 1.566 -11.355 1.00 0.00 C ATOM 0 H THR A 56 0.243 -0.662 -8.612 1.00 0.00 H new ATOM 0 HA THR A 56 -2.083 0.921 -8.686 1.00 0.00 H new ATOM 0 HB THR A 56 0.606 0.912 -9.576 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.179 3.249 -9.592 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.426 2.275 -11.632 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.171 0.613 -11.850 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.324 1.955 -11.664 1.00 0.00 H new ATOM 890 N LYS A 57 -1.642 -1.166 -11.189 1.00 0.00 N ATOM 891 CA LYS A 57 -2.305 -1.820 -12.302 1.00 0.00 C ATOM 892 C LYS A 57 -3.398 -2.732 -11.769 1.00 0.00 C ATOM 893 O LYS A 57 -4.459 -2.876 -12.376 1.00 0.00 O ATOM 894 CB LYS A 57 -1.301 -2.623 -13.131 1.00 0.00 C ATOM 895 CG LYS A 57 -0.753 -1.862 -14.326 1.00 0.00 C ATOM 896 CD LYS A 57 0.124 -2.749 -15.196 1.00 0.00 C ATOM 897 CE LYS A 57 1.595 -2.592 -14.845 1.00 0.00 C ATOM 898 NZ LYS A 57 2.417 -3.712 -15.382 1.00 0.00 N ATOM 0 H LYS A 57 -0.710 -1.527 -10.984 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.748 -1.063 -12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.472 -2.923 -12.491 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.780 -3.537 -13.482 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.579 -1.471 -14.920 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.175 -1.005 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.172 -3.791 -15.071 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.030 -2.498 -16.245 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.964 -1.647 -15.244 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.707 -2.547 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.413 -3.568 -15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.081 -4.612 -14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.331 -3.740 -16.418 1.00 0.00 H new ATOM 912 N HIS A 58 -3.129 -3.334 -10.613 1.00 0.00 N ATOM 913 CA HIS A 58 -4.087 -4.220 -9.974 1.00 0.00 C ATOM 914 C HIS A 58 -5.285 -3.422 -9.474 1.00 0.00 C ATOM 915 O HIS A 58 -6.405 -3.930 -9.418 1.00 0.00 O ATOM 916 CB HIS A 58 -3.434 -4.963 -8.809 1.00 0.00 C ATOM 917 CG HIS A 58 -4.181 -6.192 -8.396 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.199 -6.177 -7.465 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.060 -7.480 -8.795 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.668 -7.401 -7.309 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.994 -8.210 -8.105 1.00 0.00 N ATOM 0 H HIS A 58 -2.253 -3.221 -10.102 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.426 -4.951 -10.708 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.418 -5.241 -9.089 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.357 -4.289 -7.955 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.537 -5.349 -6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.358 -7.862 -9.522 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.467 -7.691 -6.643 1.00 0.00 H new ATOM 983 N GLY A 63 -7.842 2.951 -6.016 1.00 0.00 N ATOM 984 CA GLY A 63 -6.436 2.890 -5.657 1.00 0.00 C ATOM 985 C GLY A 63 -6.162 1.956 -4.494 1.00 0.00 C ATOM 986 O GLY A 63 -7.079 1.358 -3.936 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.859 2.563 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.088 3.891 -5.402 1.00 0.00 H new ATOM 990 N SER A 64 -4.889 1.840 -4.130 1.00 0.00 N ATOM 991 CA SER A 64 -4.472 0.980 -3.027 1.00 0.00 C ATOM 992 C SER A 64 -3.848 1.811 -1.912 1.00 0.00 C ATOM 993 O SER A 64 -3.451 2.954 -2.134 1.00 0.00 O ATOM 994 CB SER A 64 -3.476 -0.072 -3.521 1.00 0.00 C ATOM 995 OG SER A 64 -2.287 -0.053 -2.751 1.00 0.00 O ATOM 0 H SER A 64 -4.123 2.335 -4.587 1.00 0.00 H new ATOM 0 HA SER A 64 -5.352 0.472 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.931 -1.061 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.237 0.113 -4.568 1.00 0.00 H new ATOM 0 HG SER A 64 -1.669 -0.735 -3.087 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.751 1.238 -0.716 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.163 1.960 0.407 1.00 0.00 C ATOM 1003 C TRP A 65 -1.771 1.441 0.698 1.00 0.00 C ATOM 1004 O TRP A 65 -1.545 0.233 0.761 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.046 1.851 1.654 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.157 2.857 1.673 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.032 4.217 1.679 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.563 2.584 1.683 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.273 4.805 1.692 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.229 3.824 1.694 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.322 1.413 1.683 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.618 3.923 1.705 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.700 1.511 1.694 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.336 2.759 1.704 1.00 0.00 C ATOM 0 H TRP A 65 -4.066 0.292 -0.501 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.094 3.013 0.133 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.470 0.848 1.706 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.429 1.982 2.543 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.094 4.752 1.674 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.453 5.809 1.699 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.840 0.446 1.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.110 4.884 1.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.297 0.611 1.695 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.415 2.803 1.711 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.836 2.365 0.854 1.00 0.00 N ATOM 1026 CA ILE A 66 0.544 2.012 1.115 1.00 0.00 C ATOM 1027 C ILE A 66 0.966 2.392 2.525 1.00 0.00 C ATOM 1028 O ILE A 66 0.268 3.130 3.218 1.00 0.00 O ATOM 1029 CB ILE A 66 1.490 2.666 0.093 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.812 4.105 0.496 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.863 2.625 -1.295 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.415 4.925 -0.625 1.00 0.00 C ATOM 0 H ILE A 66 -1.012 3.368 0.803 1.00 0.00 H new ATOM 0 HA ILE A 66 0.615 0.929 1.017 1.00 0.00 H new ATOM 0 HB ILE A 66 2.425 2.105 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.899 4.591 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.503 4.092 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.538 3.090 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.684 1.589 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.083 3.167 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.618 5.935 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.345 4.462 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.716 4.969 -1.460 1.00 0.00 H new ATOM 1044 N GLY A 67 2.110 1.866 2.934 1.00 0.00 N ATOM 1045 CA GLY A 67 2.635 2.134 4.257 1.00 0.00 C ATOM 1046 C GLY A 67 3.231 3.516 4.379 1.00 0.00 C ATOM 1047 O GLY A 67 4.391 3.668 4.758 1.00 0.00 O ATOM 0 H GLY A 67 2.691 1.250 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.836 2.021 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.396 1.392 4.498 1.00 0.00 H new ATOM 1051 N LEU A 68 2.440 4.528 4.053 1.00 0.00 N ATOM 1052 CA LEU A 68 2.909 5.904 4.126 1.00 0.00 C ATOM 1053 C LEU A 68 2.005 6.783 4.981 1.00 0.00 C ATOM 1054 O LEU A 68 0.795 6.864 4.764 1.00 0.00 O ATOM 1055 CB LEU A 68 3.023 6.507 2.724 1.00 0.00 C ATOM 1056 CG LEU A 68 4.058 7.622 2.587 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.640 8.852 3.379 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.417 7.131 3.044 1.00 0.00 C ATOM 0 H LEU A 68 1.476 4.423 3.737 1.00 0.00 H new ATOM 0 HA LEU A 68 3.891 5.874 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.272 5.712 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.048 6.898 2.432 1.00 0.00 H new ATOM 0 HG LEU A 68 4.122 7.905 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.393 9.631 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.682 9.216 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.544 8.591 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.147 7.934 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.360 6.823 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.722 6.283 2.431 1.00 0.00 H new ATOM 1070 N ARG A 69 2.628 7.471 5.930 1.00 0.00 N ATOM 1071 CA ARG A 69 1.935 8.395 6.814 1.00 0.00 C ATOM 1072 C ARG A 69 2.781 9.656 6.994 1.00 0.00 C ATOM 1073 O ARG A 69 3.923 9.579 7.448 1.00 0.00 O ATOM 1074 CB ARG A 69 1.655 7.731 8.166 1.00 0.00 C ATOM 1075 CG ARG A 69 1.601 8.702 9.336 1.00 0.00 C ATOM 1076 CD ARG A 69 2.804 8.540 10.251 1.00 0.00 C ATOM 1077 NE ARG A 69 2.473 8.825 11.644 1.00 0.00 N ATOM 1078 CZ ARG A 69 3.356 9.257 12.540 1.00 0.00 C ATOM 1079 NH1 ARG A 69 4.620 9.452 12.188 1.00 0.00 N ATOM 1080 NH2 ARG A 69 2.975 9.493 13.788 1.00 0.00 N ATOM 0 H ARG A 69 3.630 7.402 6.107 1.00 0.00 H new ATOM 0 HA ARG A 69 0.978 8.671 6.371 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.707 7.197 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.428 6.987 8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.564 9.724 8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.686 8.538 9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.187 7.523 10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.601 9.208 9.924 1.00 0.00 H new ATOM 0 HE ARG A 69 1.509 8.685 11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.916 9.271 11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.296 9.783 12.876 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.004 9.343 14.062 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.653 9.824 14.474 1.00 0.00 H new ATOM 1094 N ASN A 70 2.229 10.810 6.635 1.00 0.00 N ATOM 1095 CA ASN A 70 2.959 12.067 6.760 1.00 0.00 C ATOM 1096 C ASN A 70 2.605 12.781 8.059 1.00 0.00 C ATOM 1097 O ASN A 70 1.444 12.813 8.466 1.00 0.00 O ATOM 1098 CB ASN A 70 2.671 12.975 5.561 1.00 0.00 C ATOM 1099 CG ASN A 70 3.722 14.052 5.386 1.00 0.00 C ATOM 1100 OD1 ASN A 70 4.443 14.076 4.387 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.814 14.955 6.356 1.00 0.00 N ATOM 0 H ASN A 70 1.286 10.902 6.258 1.00 0.00 H new ATOM 0 HA ASN A 70 4.024 11.836 6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.620 12.371 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.694 13.442 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.502 15.706 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.197 14.898 7.166 1.00 0.00 H new ATOM 1202 N PHE A 77 6.915 12.908 4.903 1.00 0.00 N ATOM 1203 CA PHE A 77 6.302 11.590 4.814 1.00 0.00 C ATOM 1204 C PHE A 77 7.173 10.517 5.461 1.00 0.00 C ATOM 1205 O PHE A 77 8.379 10.441 5.226 1.00 0.00 O ATOM 1206 CB PHE A 77 5.991 11.219 3.355 1.00 0.00 C ATOM 1207 CG PHE A 77 7.111 11.435 2.362 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.363 11.896 2.754 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.898 11.163 1.018 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.372 12.082 1.829 1.00 0.00 C ATOM 1211 CE2 PHE A 77 7.907 11.347 0.092 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.144 11.809 0.496 1.00 0.00 C ATOM 0 HA PHE A 77 5.363 11.637 5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.701 10.169 3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.127 11.799 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.549 12.112 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.933 10.804 0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.339 12.441 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.728 11.129 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.931 11.956 -0.229 1.00 0.00 H new ATOM 1222 N ILE A 78 6.538 9.690 6.281 1.00 0.00 N ATOM 1223 CA ILE A 78 7.215 8.611 6.982 1.00 0.00 C ATOM 1224 C ILE A 78 6.439 7.308 6.824 1.00 0.00 C ATOM 1225 O ILE A 78 5.210 7.306 6.839 1.00 0.00 O ATOM 1226 CB ILE A 78 7.387 8.941 8.480 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.764 9.583 8.709 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.194 7.695 9.339 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.612 8.906 9.770 1.00 0.00 C ATOM 0 H ILE A 78 5.539 9.750 6.478 1.00 0.00 H new ATOM 0 HA ILE A 78 8.205 8.495 6.541 1.00 0.00 H new ATOM 0 HB ILE A 78 6.620 9.655 8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.313 9.578 7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.621 10.627 8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.320 7.955 10.390 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.192 7.296 9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.932 6.943 9.060 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.565 9.428 9.862 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.089 8.934 10.726 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.792 7.869 9.485 1.00 0.00 H new ATOM 1241 N TRP A 79 7.156 6.202 6.669 1.00 0.00 N ATOM 1242 CA TRP A 79 6.513 4.904 6.503 1.00 0.00 C ATOM 1243 C TRP A 79 5.938 4.421 7.829 1.00 0.00 C ATOM 1244 O TRP A 79 6.454 4.749 8.896 1.00 0.00 O ATOM 1245 CB TRP A 79 7.515 3.865 5.982 1.00 0.00 C ATOM 1246 CG TRP A 79 8.071 4.165 4.619 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.957 5.330 3.917 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.840 3.278 3.797 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.600 5.220 2.708 1.00 0.00 N ATOM 1250 CE2 TRP A 79 9.151 3.970 2.612 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.294 1.964 3.949 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.896 3.392 1.585 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.032 1.393 2.931 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.327 2.106 1.762 1.00 0.00 C ATOM 0 H TRP A 79 8.176 6.177 6.655 1.00 0.00 H new ATOM 0 HA TRP A 79 5.707 5.021 5.778 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.341 3.789 6.689 1.00 0.00 H new ATOM 0 HB3 TRP A 79 7.028 2.890 5.955 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.436 6.211 4.262 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.658 5.950 1.998 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.071 1.406 4.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 10.124 3.940 0.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.388 0.379 3.038 1.00 0.00 H new ATOM 0 HH2 TRP A 79 10.907 1.631 0.985 1.00 0.00 H new ATOM 1265 N VAL A 80 4.867 3.639 7.751 1.00 0.00 N ATOM 1266 CA VAL A 80 4.222 3.101 8.944 1.00 0.00 C ATOM 1267 C VAL A 80 5.206 2.247 9.738 1.00 0.00 C ATOM 1268 O VAL A 80 5.063 2.068 10.948 1.00 0.00 O ATOM 1269 CB VAL A 80 2.985 2.253 8.572 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.257 1.445 7.318 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.570 1.345 9.722 1.00 0.00 C ATOM 0 H VAL A 80 4.426 3.363 6.873 1.00 0.00 H new ATOM 0 HA VAL A 80 3.896 3.942 9.556 1.00 0.00 H new ATOM 0 HB VAL A 80 2.156 2.933 8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.377 0.853 7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.486 2.120 6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.104 0.781 7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.697 0.762 9.428 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.391 0.671 9.968 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.325 1.951 10.594 1.00 0.00 H new ATOM 1281 N ASP A 81 6.214 1.735 9.041 1.00 0.00 N ATOM 1282 CA ASP A 81 7.235 0.904 9.666 1.00 0.00 C ATOM 1283 C ASP A 81 8.225 1.767 10.441 1.00 0.00 C ATOM 1284 O ASP A 81 9.104 1.254 11.135 1.00 0.00 O ATOM 1285 CB ASP A 81 7.975 0.087 8.605 1.00 0.00 C ATOM 1286 CG ASP A 81 8.692 -1.111 9.195 1.00 0.00 C ATOM 1287 OD1 ASP A 81 8.040 -2.158 9.386 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.907 -1.002 9.463 1.00 0.00 O ATOM 0 H ASP A 81 6.346 1.882 8.040 1.00 0.00 H new ATOM 0 HA ASP A 81 6.746 0.222 10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.265 -0.253 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.698 0.726 8.097 1.00 0.00 H new ATOM 1293 N GLY A 82 8.066 3.079 10.321 1.00 0.00 N ATOM 1294 CA GLY A 82 8.938 4.004 11.015 1.00 0.00 C ATOM 1295 C GLY A 82 10.196 4.329 10.235 1.00 0.00 C ATOM 1296 O GLY A 82 11.285 4.398 10.807 1.00 0.00 O ATOM 0 H GLY A 82 7.344 3.520 9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.394 4.926 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.215 3.580 11.980 1.00 0.00 H new ATOM 1300 N SER A 83 10.053 4.530 8.927 1.00 0.00 N ATOM 1301 CA SER A 83 11.200 4.850 8.081 1.00 0.00 C ATOM 1302 C SER A 83 10.841 5.890 7.023 1.00 0.00 C ATOM 1303 O SER A 83 9.929 5.684 6.226 1.00 0.00 O ATOM 1304 CB SER A 83 11.729 3.584 7.406 1.00 0.00 C ATOM 1305 OG SER A 83 12.965 3.182 7.971 1.00 0.00 O ATOM 0 H SER A 83 9.162 4.478 8.433 1.00 0.00 H new ATOM 0 HA SER A 83 11.976 5.271 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.000 2.781 7.511 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.855 3.763 6.338 1.00 0.00 H new ATOM 0 HG SER A 83 13.281 2.370 7.523 1.00 0.00 H new ATOM 1311 N HIS A 84 11.567 7.005 7.018 1.00 0.00 N ATOM 1312 CA HIS A 84 11.331 8.072 6.056 1.00 0.00 C ATOM 1313 C HIS A 84 11.349 7.533 4.629 1.00 0.00 C ATOM 1314 O HIS A 84 12.007 6.534 4.340 1.00 0.00 O ATOM 1315 CB HIS A 84 12.392 9.162 6.212 1.00 0.00 C ATOM 1316 CG HIS A 84 12.446 9.758 7.585 1.00 0.00 C ATOM 1317 ND1 HIS A 84 11.916 10.994 7.891 1.00 0.00 N ATOM 1318 CD2 HIS A 84 12.976 9.282 8.738 1.00 0.00 C ATOM 1319 CE1 HIS A 84 12.118 11.253 9.170 1.00 0.00 C ATOM 1320 NE2 HIS A 84 12.758 10.229 9.706 1.00 0.00 N ATOM 0 H HIS A 84 12.326 7.191 7.673 1.00 0.00 H new ATOM 0 HA HIS A 84 10.346 8.496 6.252 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.369 8.743 5.969 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.196 9.954 5.489 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.476 8.334 8.870 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.812 12.149 9.689 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.044 10.155 10.682 1.00 0.00 H new ATOM 1329 N VAL A 85 10.618 8.201 3.744 1.00 0.00 N ATOM 1330 CA VAL A 85 10.541 7.792 2.346 1.00 0.00 C ATOM 1331 C VAL A 85 11.898 7.896 1.654 1.00 0.00 C ATOM 1332 O VAL A 85 12.755 8.681 2.059 1.00 0.00 O ATOM 1333 CB VAL A 85 9.503 8.640 1.593 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.449 8.272 0.118 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.146 8.468 2.237 1.00 0.00 C ATOM 0 H VAL A 85 10.069 9.030 3.970 1.00 0.00 H new ATOM 0 HA VAL A 85 10.232 6.747 2.328 1.00 0.00 H new ATOM 0 HB VAL A 85 9.801 9.687 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.705 8.890 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.426 8.440 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.177 7.222 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.411 9.070 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.855 7.418 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.193 8.792 3.277 1.00 0.00 H new ATOM 1345 N ASP A 86 12.087 7.085 0.615 1.00 0.00 N ATOM 1346 CA ASP A 86 13.341 7.071 -0.127 1.00 0.00 C ATOM 1347 C ASP A 86 13.148 7.525 -1.574 1.00 0.00 C ATOM 1348 O ASP A 86 13.597 8.603 -1.960 1.00 0.00 O ATOM 1349 CB ASP A 86 13.944 5.665 -0.107 1.00 0.00 C ATOM 1350 CG ASP A 86 14.325 5.221 1.292 1.00 0.00 C ATOM 1351 OD1 ASP A 86 15.334 5.731 1.822 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.615 4.363 1.856 1.00 0.00 O ATOM 0 H ASP A 86 11.386 6.430 0.270 1.00 0.00 H new ATOM 0 HA ASP A 86 14.020 7.772 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.228 4.959 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.827 5.642 -0.746 1.00 0.00 H new ATOM 1357 N TYR A 87 12.498 6.684 -2.373 1.00 0.00 N ATOM 1358 CA TYR A 87 12.269 6.988 -3.784 1.00 0.00 C ATOM 1359 C TYR A 87 11.034 7.857 -3.993 1.00 0.00 C ATOM 1360 O TYR A 87 11.059 8.798 -4.787 1.00 0.00 O ATOM 1361 CB TYR A 87 12.124 5.692 -4.588 1.00 0.00 C ATOM 1362 CG TYR A 87 12.048 5.909 -6.083 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.129 6.423 -6.786 1.00 0.00 C ATOM 1364 CD2 TYR A 87 10.894 5.598 -6.791 1.00 0.00 C ATOM 1365 CE1 TYR A 87 13.063 6.622 -8.152 1.00 0.00 C ATOM 1366 CE2 TYR A 87 10.820 5.793 -8.157 1.00 0.00 C ATOM 1367 CZ TYR A 87 11.907 6.305 -8.833 1.00 0.00 C ATOM 1368 OH TYR A 87 11.838 6.501 -10.193 1.00 0.00 O ATOM 0 H TYR A 87 12.120 5.787 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 87 13.135 7.548 -4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.970 5.041 -4.367 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.225 5.170 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.037 6.672 -6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 87 10.040 5.197 -6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.913 7.024 -8.683 1.00 0.00 H new ATOM 0 HE2 TYR A 87 9.915 5.546 -8.692 1.00 0.00 H new ATOM 0 HH TYR A 87 10.956 6.226 -10.519 1.00 0.00 H new ATOM 1378 N SER A 88 9.949 7.519 -3.300 1.00 0.00 N ATOM 1379 CA SER A 88 8.686 8.249 -3.431 1.00 0.00 C ATOM 1380 C SER A 88 8.214 8.221 -4.882 1.00 0.00 C ATOM 1381 O SER A 88 8.972 7.861 -5.782 1.00 0.00 O ATOM 1382 CB SER A 88 8.819 9.694 -2.934 1.00 0.00 C ATOM 1383 OG SER A 88 10.171 10.039 -2.688 1.00 0.00 O ATOM 0 H SER A 88 9.917 6.742 -2.640 1.00 0.00 H new ATOM 0 HA SER A 88 7.942 7.754 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.398 10.374 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.239 9.820 -2.020 1.00 0.00 H new ATOM 0 HG SER A 88 10.670 10.027 -3.531 1.00 0.00 H new ATOM 1389 N ASN A 89 6.955 8.571 -5.113 1.00 0.00 N ATOM 1390 CA ASN A 89 6.412 8.548 -6.464 1.00 0.00 C ATOM 1391 C ASN A 89 5.671 9.841 -6.811 1.00 0.00 C ATOM 1392 O ASN A 89 5.545 10.175 -7.988 1.00 0.00 O ATOM 1393 CB ASN A 89 5.507 7.325 -6.624 1.00 0.00 C ATOM 1394 CG ASN A 89 6.300 6.079 -6.962 1.00 0.00 C ATOM 1395 OD1 ASN A 89 5.641 4.931 -6.926 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 7.494 6.149 -7.252 1.00 0.00 N flip ATOM 0 H ASN A 89 6.298 8.870 -4.392 1.00 0.00 H new ATOM 0 HA ASN A 89 7.241 8.476 -7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.950 7.162 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.775 7.514 -7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.963 7.055 -7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.015 5.301 -7.477 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.261 11.091 4.445 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.107 9.739 3.920 1.00 0.00 C ATOM 1600 C CYS A 104 -0.927 9.777 2.411 1.00 0.00 C ATOM 1601 O CYS A 104 -1.314 10.740 1.750 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.321 8.870 4.267 1.00 0.00 C ATOM 1603 SG CYS A 104 -2.831 8.933 6.016 1.00 0.00 S ATOM 0 HA CYS A 104 -0.222 9.302 4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.162 9.180 3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.097 7.836 4.006 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.846 7.729 6.507 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.345 8.721 1.868 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.129 8.635 0.437 1.00 0.00 C ATOM 1610 C VAL A 105 -1.052 7.601 -0.189 1.00 0.00 C ATOM 1611 O VAL A 105 -1.218 6.499 0.333 1.00 0.00 O ATOM 1612 CB VAL A 105 1.332 8.290 0.099 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.475 7.938 -1.373 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.243 9.450 0.457 1.00 0.00 C ATOM 0 H VAL A 105 -0.015 7.914 2.397 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.354 9.618 0.023 1.00 0.00 H new ATOM 0 HB VAL A 105 1.625 7.421 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.516 7.697 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.848 7.077 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.164 8.787 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.273 9.192 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.946 10.334 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.164 9.658 1.524 1.00 0.00 H new ATOM 1624 N MET A 106 -1.647 7.971 -1.311 1.00 0.00 N ATOM 1625 CA MET A 106 -2.556 7.097 -2.027 1.00 0.00 C ATOM 1626 C MET A 106 -2.009 6.801 -3.413 1.00 0.00 C ATOM 1627 O MET A 106 -1.075 7.453 -3.871 1.00 0.00 O ATOM 1628 CB MET A 106 -3.938 7.740 -2.136 1.00 0.00 C ATOM 1629 CG MET A 106 -3.904 9.173 -2.644 1.00 0.00 C ATOM 1630 SD MET A 106 -5.130 10.224 -1.840 1.00 0.00 S ATOM 1631 CE MET A 106 -4.859 11.774 -2.697 1.00 0.00 C ATOM 0 H MET A 106 -1.513 8.883 -1.748 1.00 0.00 H new ATOM 0 HA MET A 106 -2.649 6.162 -1.474 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.557 7.141 -2.804 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.416 7.722 -1.157 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.910 9.589 -2.479 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.077 9.177 -3.720 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.481 12.550 -2.251 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.810 12.057 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.121 11.659 -3.749 1.00 0.00 H new ATOM 1641 N MET A 107 -2.587 5.817 -4.075 1.00 0.00 N ATOM 1642 CA MET A 107 -2.146 5.445 -5.409 1.00 0.00 C ATOM 1643 C MET A 107 -3.320 5.484 -6.381 1.00 0.00 C ATOM 1644 O MET A 107 -4.375 4.912 -6.110 1.00 0.00 O ATOM 1645 CB MET A 107 -1.517 4.046 -5.373 1.00 0.00 C ATOM 1646 CG MET A 107 -1.656 3.263 -6.665 1.00 0.00 C ATOM 1647 SD MET A 107 -3.189 2.317 -6.755 1.00 0.00 S ATOM 1648 CE MET A 107 -3.790 2.797 -8.373 1.00 0.00 C ATOM 0 H MET A 107 -3.362 5.261 -3.713 1.00 0.00 H new ATOM 0 HA MET A 107 -1.396 6.157 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.458 4.143 -5.133 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.976 3.475 -4.565 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.611 3.953 -7.508 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.810 2.583 -6.764 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.166 1.918 -8.897 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.594 3.525 -8.261 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.976 3.240 -8.947 1.00 0.00 H new ATOM 1707 N ARG A 112 0.238 6.037 -10.297 1.00 0.00 N ATOM 1708 CA ARG A 112 1.351 6.315 -9.401 1.00 0.00 C ATOM 1709 C ARG A 112 0.863 6.623 -7.985 1.00 0.00 C ATOM 1710 O ARG A 112 -0.148 6.089 -7.532 1.00 0.00 O ATOM 1711 CB ARG A 112 2.187 7.478 -9.938 1.00 0.00 C ATOM 1712 CG ARG A 112 1.358 8.676 -10.365 1.00 0.00 C ATOM 1713 CD ARG A 112 2.053 9.468 -11.459 1.00 0.00 C ATOM 1714 NE ARG A 112 2.497 8.614 -12.557 1.00 0.00 N ATOM 1715 CZ ARG A 112 3.774 8.417 -12.868 1.00 0.00 C ATOM 1716 NH1 ARG A 112 4.731 9.010 -12.167 1.00 0.00 N ATOM 1717 NH2 ARG A 112 4.096 7.624 -13.882 1.00 0.00 N ATOM 0 HA ARG A 112 1.974 5.422 -9.354 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.894 7.791 -9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.773 7.131 -10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.384 8.339 -10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.178 9.321 -9.505 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.373 10.228 -11.844 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.911 9.992 -11.038 1.00 0.00 H new ATOM 0 HE ARG A 112 1.787 8.142 -13.117 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.488 9.620 -11.386 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.710 8.856 -12.409 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.363 7.165 -14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.076 7.473 -14.120 1.00 0.00 H new ATOM 1731 N TRP A 113 1.606 7.480 -7.292 1.00 0.00 N ATOM 1732 CA TRP A 113 1.292 7.867 -5.926 1.00 0.00 C ATOM 1733 C TRP A 113 0.770 9.284 -5.844 1.00 0.00 C ATOM 1734 O TRP A 113 1.007 10.108 -6.722 1.00 0.00 O ATOM 1735 CB TRP A 113 2.533 7.843 -5.047 1.00 0.00 C ATOM 1736 CG TRP A 113 3.069 6.498 -4.721 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.866 5.331 -5.389 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.936 6.203 -3.632 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.566 4.322 -4.781 1.00 0.00 N ATOM 1740 CE2 TRP A 113 4.228 4.832 -3.691 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.491 6.978 -2.612 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 5.060 4.210 -2.761 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.316 6.363 -1.689 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.595 4.990 -1.769 1.00 0.00 C ATOM 0 H TRP A 113 2.444 7.925 -7.665 1.00 0.00 H new ATOM 0 HA TRP A 113 0.542 7.151 -5.590 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.317 8.415 -5.543 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.304 8.358 -4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.247 5.217 -6.266 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.591 3.350 -5.088 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.280 8.035 -2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.275 3.153 -2.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.753 6.949 -0.894 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.245 4.539 -1.034 1.00 0.00 H new ATOM 1755 N ASN A 114 0.125 9.563 -4.731 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.368 10.890 -4.442 1.00 0.00 C ATOM 1757 C ASN A 114 -0.166 11.164 -2.958 1.00 0.00 C ATOM 1758 O ASN A 114 -0.673 10.437 -2.106 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.848 11.012 -4.810 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.234 12.429 -5.188 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.362 13.300 -4.330 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -2.423 12.665 -6.483 1.00 0.00 N ATOM 0 H ASN A 114 -0.071 8.876 -4.003 1.00 0.00 H new ATOM 0 HA ASN A 114 0.180 11.622 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.069 10.344 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.457 10.685 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -2.685 13.599 -6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -2.306 11.912 -7.161 1.00 0.00 H new ATOM 1769 N ASP A 115 0.587 12.208 -2.654 1.00 0.00 N ATOM 1770 CA ASP A 115 0.869 12.570 -1.273 1.00 0.00 C ATOM 1771 C ASP A 115 -0.058 13.692 -0.811 1.00 0.00 C ATOM 1772 O ASP A 115 0.195 14.868 -1.076 1.00 0.00 O ATOM 1773 CB ASP A 115 2.336 12.990 -1.139 1.00 0.00 C ATOM 1774 CG ASP A 115 2.884 12.737 0.252 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.215 13.127 1.233 1.00 0.00 O ATOM 1776 OD2 ASP A 115 3.981 12.151 0.361 1.00 0.00 O ATOM 0 H ASP A 115 1.016 12.822 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 115 0.690 11.704 -0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.935 12.444 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.431 14.049 -1.377 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.140 13.320 -0.123 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.106 14.292 0.367 1.00 0.00 C ATOM 1783 C ALA A 116 -2.910 13.726 1.532 1.00 0.00 C ATOM 1784 O ALA A 116 -2.968 12.514 1.724 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.035 14.728 -0.755 1.00 0.00 C ATOM 0 H ALA A 116 -1.365 12.351 0.105 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.557 15.162 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.751 15.455 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.451 15.181 -1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.570 13.861 -1.142 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.555 6.390 -1.952 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.393 5.097 -2.609 1.00 0.00 C ATOM 1881 C LEU A 122 -10.502 4.130 -2.212 1.00 0.00 C ATOM 1882 O LEU A 122 -11.553 4.541 -1.719 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.034 4.491 -2.259 1.00 0.00 C ATOM 1884 CG LEU A 122 -6.854 5.454 -2.358 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.637 6.169 -1.035 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.599 4.708 -2.775 1.00 0.00 C ATOM 0 HA LEU A 122 -9.451 5.263 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.079 4.098 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.849 3.644 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.079 6.203 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.792 6.851 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.533 6.733 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.431 5.436 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.765 5.407 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.370 3.940 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.759 4.241 -3.747 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.260 2.839 -2.434 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.244 1.831 -2.097 1.00 0.00 C ATOM 1900 C GLY A 123 -10.661 0.431 -2.047 1.00 0.00 C ATOM 1901 O GLY A 123 -11.401 -0.548 -1.981 1.00 0.00 O ATOM 0 H GLY A 123 -9.398 2.476 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.685 2.070 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.050 1.858 -2.830 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.333 0.331 -2.073 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.669 -0.966 -2.021 1.00 0.00 C ATOM 1907 C ALA A 124 -7.596 -0.976 -0.944 1.00 0.00 C ATOM 1908 O ALA A 124 -6.863 -0.001 -0.783 1.00 0.00 O ATOM 1909 CB ALA A 124 -8.076 -1.320 -3.376 1.00 0.00 C ATOM 0 H ALA A 124 -8.700 1.129 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.413 -1.721 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.585 -2.291 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.870 -1.360 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.347 -0.562 -3.663 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.504 -2.079 -0.208 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.514 -2.188 0.853 1.00 0.00 C ATOM 1917 C TRP A 125 -5.423 -3.178 0.483 1.00 0.00 C ATOM 1918 O TRP A 125 -5.679 -4.365 0.277 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.167 -2.568 2.191 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.034 -3.792 2.148 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.035 -4.068 1.261 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -7.989 -4.901 3.054 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.604 -5.284 1.553 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -8.981 -5.814 2.651 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -7.200 -5.212 4.167 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -9.207 -7.014 3.320 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -7.425 -6.404 4.831 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -8.422 -7.291 4.405 1.00 0.00 C ATOM 0 H TRP A 125 -8.097 -2.901 -0.326 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.054 -1.207 0.974 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.381 -2.723 2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.768 -1.727 2.537 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.336 -3.424 0.448 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.367 -5.721 1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -6.429 -4.533 4.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -9.974 -7.701 2.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -6.823 -6.655 5.692 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -8.574 -8.214 4.945 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.202 -2.668 0.394 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.050 -3.475 0.042 1.00 0.00 C ATOM 1941 C VAL A 126 -2.100 -3.593 1.237 1.00 0.00 C ATOM 1942 O VAL A 126 -1.831 -2.611 1.930 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.314 -2.863 -1.169 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.865 -3.273 -1.190 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.978 -3.265 -2.469 1.00 0.00 C ATOM 0 H VAL A 126 -3.986 -1.686 0.564 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.395 -4.473 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.368 -1.779 -1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.373 -2.827 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.377 -2.931 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.795 -4.359 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.439 -2.820 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.964 -4.351 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.010 -2.914 -2.474 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.616 -4.805 1.478 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.717 -5.085 2.595 1.00 0.00 C ATOM 1957 C CYS A 127 0.429 -5.978 2.152 1.00 0.00 C ATOM 1958 O CYS A 127 0.376 -6.575 1.084 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.474 -5.751 3.745 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.267 -5.434 3.743 1.00 0.00 S ATOM 0 H CYS A 127 -1.834 -5.622 0.907 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.311 -4.135 2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.307 -6.827 3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.056 -5.403 4.690 1.00 0.00 H new ATOM 1965 N ASP A 128 1.469 -6.063 2.969 1.00 0.00 N ATOM 1966 CA ASP A 128 2.612 -6.893 2.647 1.00 0.00 C ATOM 1967 C ASP A 128 2.914 -7.848 3.792 1.00 0.00 C ATOM 1968 O ASP A 128 2.767 -7.505 4.964 1.00 0.00 O ATOM 1969 CB ASP A 128 3.833 -6.026 2.353 1.00 0.00 C ATOM 1970 CG ASP A 128 4.408 -5.390 3.604 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.854 -4.368 4.059 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.414 -5.915 4.127 1.00 0.00 O ATOM 0 H ASP A 128 1.541 -5.567 3.857 1.00 0.00 H new ATOM 0 HA ASP A 128 2.374 -7.476 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.600 -6.634 1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.558 -5.244 1.645 1.00 0.00 H new ATOM 1977 N ARG A 129 3.341 -9.048 3.437 1.00 0.00 N ATOM 1978 CA ARG A 129 3.672 -10.074 4.415 1.00 0.00 C ATOM 1979 C ARG A 129 4.632 -11.082 3.806 1.00 0.00 C ATOM 1980 O ARG A 129 4.888 -11.050 2.607 1.00 0.00 O ATOM 1981 CB ARG A 129 2.405 -10.777 4.904 1.00 0.00 C ATOM 1982 CG ARG A 129 1.587 -11.407 3.788 1.00 0.00 C ATOM 1983 CD ARG A 129 1.470 -12.912 3.965 1.00 0.00 C ATOM 1984 NE ARG A 129 0.211 -13.293 4.599 1.00 0.00 N ATOM 1985 CZ ARG A 129 0.124 -13.781 5.833 1.00 0.00 C ATOM 1986 NH1 ARG A 129 1.219 -13.948 6.563 1.00 0.00 N ATOM 1987 NH2 ARG A 129 -1.058 -14.102 6.339 1.00 0.00 N ATOM 0 H ARG A 129 3.468 -9.339 2.468 1.00 0.00 H new ATOM 0 HA ARG A 129 4.153 -9.599 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.682 -11.550 5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.783 -10.057 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.592 -10.963 3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.051 -11.188 2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.548 -13.398 2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.303 -13.272 4.569 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.651 -13.178 4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.131 -13.702 6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.149 -14.323 7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.903 -13.975 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.123 -14.476 7.286 1.00 0.00 H new ATOM 2001 N LEU A 130 5.158 -11.977 4.627 1.00 0.00 N ATOM 2002 CA LEU A 130 6.082 -12.988 4.141 1.00 0.00 C ATOM 2003 C LEU A 130 5.326 -14.189 3.581 1.00 0.00 C ATOM 2004 O LEU A 130 4.342 -14.643 4.165 1.00 0.00 O ATOM 2005 CB LEU A 130 7.035 -13.420 5.257 1.00 0.00 C ATOM 2006 CG LEU A 130 8.246 -12.502 5.486 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.536 -13.230 5.144 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.129 -11.215 4.672 1.00 0.00 C ATOM 0 H LEU A 130 4.962 -12.024 5.627 1.00 0.00 H new ATOM 0 HA LEU A 130 6.671 -12.554 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.471 -13.487 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.399 -14.423 5.032 1.00 0.00 H new ATOM 0 HG LEU A 130 8.265 -12.230 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.384 -12.566 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.635 -14.112 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.515 -13.535 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.001 -10.587 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.075 -11.459 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.227 -10.679 4.967 1.00 0.00 H new ATOM 2020 N ALA A 131 5.790 -14.688 2.437 1.00 0.00 N ATOM 2021 CA ALA A 131 5.159 -15.827 1.777 1.00 0.00 C ATOM 2022 C ALA A 131 4.997 -17.012 2.725 1.00 0.00 C ATOM 2023 O ALA A 131 5.522 -17.009 3.840 1.00 0.00 O ATOM 2024 CB ALA A 131 5.967 -16.237 0.555 1.00 0.00 C ATOM 0 H ALA A 131 6.605 -14.319 1.947 1.00 0.00 H new ATOM 0 HA ALA A 131 4.162 -15.518 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.487 -17.087 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.018 -15.402 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.975 -16.515 0.862 1.00 0.00 H new