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 106 MET CE :methyl 176:sc= -0.892 (180deg=-0.966) USER MOD Set 1.2: A 114 ASN : amide:sc= -0.0394 X(o=-0.93,f=-1.1) USER MOD Set 2.1: A 52 GLN : amide:sc= -5.76! K(o=-15!,f=-10) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.668 USER MOD Set 2.3: A 107 MET CE :methyl -178:sc= -9.01! (180deg=-7.29!) USER MOD Set 3.1: A 47 HIS : no HD1:sc= 0 X(o=0.85,f=0.84) USER MOD Set 3.2: A 48 SER OG : rot 98:sc= 0.853 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 : amide:sc= -2.08 K(o=-2.1,f=-0.6) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -159:sc= 1.71 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.8!) 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=-0.018) USER MOD Single : A 45 SER OG : rot -150:sc= 1.54 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.51! C(o=-2.5!,f=-3.9!) USER MOD Single : A 64 SER OG : rot -78:sc= -0.406 USER MOD Single : A 70 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.5 K(o=0.5,f=-2.4!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.09! USER MOD Single : A 89 ASN : amide:sc= -2.7! K(o=-2.7!,f=-1) USER MOD Single : A 104 CYS SG : rot 15:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.252 -18.974 -0.666 1.00 0.00 N ATOM 82 CA THR A 7 0.357 -17.937 -0.167 1.00 0.00 C ATOM 83 C THR A 7 0.175 -16.827 -1.197 1.00 0.00 C ATOM 84 O THR A 7 -0.522 -15.846 -0.944 1.00 0.00 O ATOM 85 CB THR A 7 0.897 -17.351 1.142 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.166 -16.932 1.979 1.00 0.00 O ATOM 87 CG2 THR A 7 1.817 -16.162 0.941 1.00 0.00 C ATOM 0 HA THR A 7 -0.614 -18.394 0.020 1.00 0.00 H new ATOM 0 HB THR A 7 1.471 -18.157 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.198 -16.562 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.161 -15.800 1.910 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.676 -16.464 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.277 -15.367 0.427 1.00 0.00 H new ATOM 95 N CYS A 8 0.812 -16.981 -2.353 1.00 0.00 N ATOM 96 CA CYS A 8 0.718 -15.976 -3.405 1.00 0.00 C ATOM 97 C CYS A 8 0.112 -16.548 -4.688 1.00 0.00 C ATOM 98 O CYS A 8 0.787 -16.646 -5.712 1.00 0.00 O ATOM 99 CB CYS A 8 2.100 -15.383 -3.690 1.00 0.00 C ATOM 100 SG CYS A 8 3.053 -14.973 -2.191 1.00 0.00 S ATOM 0 H CYS A 8 1.395 -17.786 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 8 0.052 -15.189 -3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.672 -16.092 -4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.981 -14.481 -4.290 1.00 0.00 H new ATOM 105 N PRO A 9 -1.182 -16.918 -4.652 1.00 0.00 N ATOM 106 CA PRO A 9 -1.885 -17.459 -5.806 1.00 0.00 C ATOM 107 C PRO A 9 -2.546 -16.355 -6.629 1.00 0.00 C ATOM 108 O PRO A 9 -1.997 -15.901 -7.632 1.00 0.00 O ATOM 109 CB PRO A 9 -2.931 -18.366 -5.162 1.00 0.00 C ATOM 110 CG PRO A 9 -3.218 -17.756 -3.822 1.00 0.00 C ATOM 111 CD PRO A 9 -2.073 -16.825 -3.485 1.00 0.00 C ATOM 0 HA PRO A 9 -1.228 -17.977 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.834 -18.419 -5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.557 -19.385 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.161 -17.210 -3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.317 -18.531 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.422 -15.804 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.566 -17.131 -2.570 1.00 0.00 H new ATOM 119 N GLU A 10 -3.719 -15.914 -6.182 1.00 0.00 N ATOM 120 CA GLU A 10 -4.446 -14.846 -6.855 1.00 0.00 C ATOM 121 C GLU A 10 -4.245 -13.536 -6.104 1.00 0.00 C ATOM 122 O GLU A 10 -4.255 -13.520 -4.874 1.00 0.00 O ATOM 123 CB GLU A 10 -5.937 -15.182 -6.939 1.00 0.00 C ATOM 124 CG GLU A 10 -6.569 -14.814 -8.272 1.00 0.00 C ATOM 125 CD GLU A 10 -7.985 -14.296 -8.122 1.00 0.00 C ATOM 126 OE1 GLU A 10 -8.915 -15.126 -8.028 1.00 0.00 O ATOM 127 OE2 GLU A 10 -8.167 -13.061 -8.096 1.00 0.00 O ATOM 0 H GLU A 10 -4.186 -16.283 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.060 -14.742 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.071 -16.250 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.464 -14.661 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.959 -14.056 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.573 -15.689 -8.922 1.00 0.00 H new ATOM 134 N LYS A 11 -4.049 -12.446 -6.848 1.00 0.00 N ATOM 135 CA LYS A 11 -3.824 -11.128 -6.254 1.00 0.00 C ATOM 136 C LYS A 11 -2.445 -11.067 -5.605 1.00 0.00 C ATOM 137 O LYS A 11 -1.562 -10.352 -6.070 1.00 0.00 O ATOM 138 CB LYS A 11 -4.905 -10.805 -5.218 1.00 0.00 C ATOM 139 CG LYS A 11 -6.311 -11.158 -5.674 1.00 0.00 C ATOM 140 CD LYS A 11 -7.310 -10.101 -5.241 1.00 0.00 C ATOM 141 CE LYS A 11 -8.614 -10.216 -6.013 1.00 0.00 C ATOM 142 NZ LYS A 11 -8.880 -9.004 -6.837 1.00 0.00 N ATOM 0 H LYS A 11 -4.042 -12.451 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.875 -10.385 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.685 -11.344 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.865 -9.741 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.330 -11.257 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.598 -12.125 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.508 -10.202 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.882 -9.110 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.577 -11.093 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.437 -10.368 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.778 -9.122 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.940 -8.170 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.107 -8.873 -7.521 1.00 0.00 H new ATOM 156 N TRP A 12 -2.279 -11.830 -4.530 1.00 0.00 N ATOM 157 CA TRP A 12 -1.023 -11.897 -3.793 1.00 0.00 C ATOM 158 C TRP A 12 0.174 -11.925 -4.741 1.00 0.00 C ATOM 159 O TRP A 12 0.130 -12.562 -5.793 1.00 0.00 O ATOM 160 CB TRP A 12 -1.003 -13.137 -2.901 1.00 0.00 C ATOM 161 CG TRP A 12 -1.988 -13.079 -1.772 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.349 -13.038 -1.873 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.688 -13.058 -0.372 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.914 -12.991 -0.621 1.00 0.00 N ATOM 165 CE2 TRP A 12 -2.914 -13.003 0.317 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.501 -13.081 0.367 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -2.987 -12.972 1.707 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.575 -13.049 1.747 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.811 -12.996 2.405 1.00 0.00 C ATOM 0 H TRP A 12 -3.015 -12.422 -4.144 1.00 0.00 H new ATOM 0 HA TRP A 12 -0.949 -11.003 -3.174 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.212 -14.016 -3.510 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.001 -13.264 -2.492 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.901 -13.042 -2.801 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.914 -12.953 -0.422 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.456 -13.123 -0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.939 -12.930 2.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.335 -13.065 2.328 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.836 -12.974 3.484 1.00 0.00 H new ATOM 180 N ILE A 13 1.241 -11.228 -4.360 1.00 0.00 N ATOM 181 CA ILE A 13 2.448 -11.172 -5.177 1.00 0.00 C ATOM 182 C ILE A 13 3.705 -11.284 -4.317 1.00 0.00 C ATOM 183 O ILE A 13 3.891 -10.521 -3.373 1.00 0.00 O ATOM 184 CB ILE A 13 2.519 -9.867 -5.996 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.213 -9.060 -5.861 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.821 -10.188 -7.449 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.509 -8.764 -7.175 1.00 0.00 C ATOM 0 H ILE A 13 1.294 -10.695 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 13 2.400 -12.020 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 13 3.325 -9.247 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.529 -9.608 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.435 -8.116 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.870 -9.263 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.777 -10.708 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.033 -10.824 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.399 -8.193 -6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.170 -8.186 -7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.250 -9.701 -7.668 1.00 0.00 H new ATOM 199 N ASN A 14 4.569 -12.239 -4.654 1.00 0.00 N ATOM 200 CA ASN A 14 5.808 -12.457 -3.912 1.00 0.00 C ATOM 201 C ASN A 14 7.022 -11.974 -4.699 1.00 0.00 C ATOM 202 O ASN A 14 7.007 -11.944 -5.930 1.00 0.00 O ATOM 203 CB ASN A 14 5.969 -13.934 -3.557 1.00 0.00 C ATOM 204 CG ASN A 14 7.341 -14.254 -2.996 1.00 0.00 C ATOM 205 OD1 ASN A 14 8.194 -14.808 -3.690 1.00 0.00 O ATOM 206 ND2 ASN A 14 7.561 -13.905 -1.734 1.00 0.00 N ATOM 0 H ASN A 14 4.433 -12.876 -5.439 1.00 0.00 H new ATOM 0 HA ASN A 14 5.746 -11.875 -2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.208 -14.213 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.795 -14.539 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.466 -14.094 -1.303 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.825 -13.448 -1.196 1.00 0.00 H new ATOM 213 N PHE A 15 8.069 -11.591 -3.974 1.00 0.00 N ATOM 214 CA PHE A 15 9.295 -11.100 -4.592 1.00 0.00 C ATOM 215 C PHE A 15 10.518 -11.823 -4.029 1.00 0.00 C ATOM 216 O PHE A 15 10.562 -13.053 -4.006 1.00 0.00 O ATOM 217 CB PHE A 15 9.421 -9.590 -4.374 1.00 0.00 C ATOM 218 CG PHE A 15 8.123 -8.852 -4.516 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.689 -8.413 -5.756 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.334 -8.600 -3.406 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.491 -7.735 -5.885 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.138 -7.923 -3.528 1.00 0.00 C ATOM 223 CZ PHE A 15 5.715 -7.489 -4.770 1.00 0.00 C ATOM 0 H PHE A 15 8.092 -11.612 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 15 9.247 -11.302 -5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.826 -9.408 -3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.139 -9.187 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.293 -8.602 -6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.659 -8.938 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.163 -7.398 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.533 -7.732 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.779 -6.959 -4.868 1.00 0.00 H new ATOM 233 N GLN A 16 11.510 -11.054 -3.577 1.00 0.00 N ATOM 234 CA GLN A 16 12.729 -11.624 -3.016 1.00 0.00 C ATOM 235 C GLN A 16 12.407 -12.677 -1.963 1.00 0.00 C ATOM 236 O GLN A 16 12.995 -13.758 -1.953 1.00 0.00 O ATOM 237 CB GLN A 16 13.596 -10.522 -2.405 1.00 0.00 C ATOM 238 CG GLN A 16 13.842 -9.351 -3.342 1.00 0.00 C ATOM 239 CD GLN A 16 15.234 -9.365 -3.941 1.00 0.00 C ATOM 240 OE1 GLN A 16 15.580 -10.258 -4.714 1.00 0.00 O ATOM 241 NE2 GLN A 16 16.043 -8.374 -3.585 1.00 0.00 N ATOM 0 H GLN A 16 11.490 -10.034 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 16 13.279 -12.105 -3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.117 -10.156 -1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.555 -10.948 -2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.105 -9.372 -4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.694 -8.418 -2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.715 -7.654 -2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.992 -8.333 -3.955 1.00 0.00 H new ATOM 250 N ARG A 17 11.466 -12.357 -1.077 1.00 0.00 N ATOM 251 CA ARG A 17 11.069 -13.285 -0.024 1.00 0.00 C ATOM 252 C ARG A 17 9.771 -12.848 0.645 1.00 0.00 C ATOM 253 O ARG A 17 9.271 -13.523 1.544 1.00 0.00 O ATOM 254 CB ARG A 17 12.178 -13.411 1.022 1.00 0.00 C ATOM 255 CG ARG A 17 12.693 -12.072 1.525 1.00 0.00 C ATOM 256 CD ARG A 17 14.079 -11.769 0.979 1.00 0.00 C ATOM 257 NE ARG A 17 15.130 -12.098 1.939 1.00 0.00 N ATOM 258 CZ ARG A 17 16.401 -12.293 1.602 1.00 0.00 C ATOM 259 NH1 ARG A 17 16.778 -12.193 0.334 1.00 0.00 N ATOM 260 NH2 ARG A 17 17.297 -12.588 2.534 1.00 0.00 N ATOM 0 H ARG A 17 10.968 -11.467 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 17 10.901 -14.257 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.805 -13.989 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.008 -13.973 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.003 -11.281 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.723 -12.078 2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.238 -12.333 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.143 -10.712 0.719 1.00 0.00 H new ATOM 0 HE ARG A 17 14.874 -12.183 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.092 -11.966 -0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.754 -12.343 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.011 -12.665 3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.272 -12.738 2.275 1.00 0.00 H new ATOM 274 N LYS A 18 9.223 -11.723 0.199 1.00 0.00 N ATOM 275 CA LYS A 18 7.982 -11.213 0.753 1.00 0.00 C ATOM 276 C LYS A 18 6.874 -11.256 -0.277 1.00 0.00 C ATOM 277 O LYS A 18 7.120 -11.287 -1.478 1.00 0.00 O ATOM 278 CB LYS A 18 8.139 -9.781 1.251 1.00 0.00 C ATOM 279 CG LYS A 18 8.378 -8.779 0.140 1.00 0.00 C ATOM 280 CD LYS A 18 9.702 -8.060 0.322 1.00 0.00 C ATOM 281 CE LYS A 18 9.495 -6.617 0.752 1.00 0.00 C ATOM 282 NZ LYS A 18 10.676 -6.079 1.481 1.00 0.00 N ATOM 0 H LYS A 18 9.621 -11.150 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 18 7.723 -11.854 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.242 -9.495 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.971 -9.738 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.369 -9.291 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.566 -8.052 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.301 -8.581 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.263 -8.086 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.299 -6.001 -0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.614 -6.551 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.494 -5.093 1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.848 -6.650 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.512 -6.117 0.864 1.00 0.00 H new ATOM 296 N CYS A 19 5.658 -11.240 0.214 1.00 0.00 N ATOM 297 CA CYS A 19 4.486 -11.262 -0.638 1.00 0.00 C ATOM 298 C CYS A 19 3.600 -10.065 -0.333 1.00 0.00 C ATOM 299 O CYS A 19 3.772 -9.400 0.687 1.00 0.00 O ATOM 300 CB CYS A 19 3.709 -12.569 -0.455 1.00 0.00 C ATOM 301 SG CYS A 19 2.640 -13.010 -1.864 1.00 0.00 S ATOM 0 H CYS A 19 5.450 -11.211 1.212 1.00 0.00 H new ATOM 0 HA CYS A 19 4.808 -11.204 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.418 -13.379 -0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.094 -12.490 0.442 1.00 0.00 H new ATOM 306 N TYR A 20 2.661 -9.793 -1.222 1.00 0.00 N ATOM 307 CA TYR A 20 1.751 -8.670 -1.055 1.00 0.00 C ATOM 308 C TYR A 20 0.313 -9.147 -1.119 1.00 0.00 C ATOM 309 O TYR A 20 -0.076 -9.838 -2.055 1.00 0.00 O ATOM 310 CB TYR A 20 1.971 -7.630 -2.161 1.00 0.00 C ATOM 311 CG TYR A 20 3.124 -6.676 -1.934 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.101 -6.921 -0.977 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.225 -5.515 -2.688 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.143 -6.036 -0.779 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.263 -4.626 -2.499 1.00 0.00 C ATOM 316 CZ TYR A 20 5.219 -4.889 -1.542 1.00 0.00 C ATOM 317 OH TYR A 20 6.256 -4.006 -1.348 1.00 0.00 O ATOM 0 H TYR A 20 2.507 -10.336 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 20 1.950 -8.218 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.135 -8.155 -3.102 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.057 -7.048 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.045 -7.818 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.476 -5.303 -3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.894 -6.241 -0.031 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.326 -3.729 -3.098 1.00 0.00 H new ATOM 0 HH TYR A 20 6.163 -3.251 -1.966 1.00 0.00 H new ATOM 327 N TYR A 21 -0.477 -8.762 -0.133 1.00 0.00 N ATOM 328 CA TYR A 21 -1.875 -9.141 -0.099 1.00 0.00 C ATOM 329 C TYR A 21 -2.716 -7.993 -0.635 1.00 0.00 C ATOM 330 O TYR A 21 -2.835 -6.942 -0.004 1.00 0.00 O ATOM 331 CB TYR A 21 -2.280 -9.497 1.335 1.00 0.00 C ATOM 332 CG TYR A 21 -3.773 -9.530 1.578 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.641 -10.101 0.656 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.308 -8.995 2.741 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.001 -10.135 0.886 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.667 -9.025 2.980 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.511 -9.597 2.050 1.00 0.00 C ATOM 338 OH TYR A 21 -7.866 -9.631 2.284 1.00 0.00 O ATOM 0 H TYR A 21 -0.173 -8.188 0.653 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.040 -10.018 -0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.863 -10.473 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.830 -8.774 2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.245 -10.525 -0.255 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.650 -8.548 3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.663 -10.581 0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.068 -8.603 3.890 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.102 -8.944 2.941 1.00 0.00 H new ATOM 348 N PHE A 22 -3.273 -8.197 -1.820 1.00 0.00 N ATOM 349 CA PHE A 22 -4.078 -7.185 -2.477 1.00 0.00 C ATOM 350 C PHE A 22 -5.566 -7.407 -2.217 1.00 0.00 C ATOM 351 O PHE A 22 -6.103 -8.478 -2.501 1.00 0.00 O ATOM 352 CB PHE A 22 -3.779 -7.221 -3.980 1.00 0.00 C ATOM 353 CG PHE A 22 -2.416 -6.684 -4.353 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.515 -6.279 -3.378 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.036 -6.589 -5.683 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.268 -5.792 -3.722 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.788 -6.102 -6.032 1.00 0.00 C ATOM 358 CZ PHE A 22 0.097 -5.703 -5.049 1.00 0.00 C ATOM 0 H PHE A 22 -3.179 -9.064 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.824 -6.205 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.860 -8.250 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.541 -6.644 -4.505 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.792 -6.345 -2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.723 -6.899 -6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.421 -5.481 -2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.506 -6.034 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.071 -5.323 -5.319 1.00 0.00 H new ATOM 368 N GLY A 23 -6.224 -6.388 -1.665 1.00 0.00 N ATOM 369 CA GLY A 23 -7.641 -6.494 -1.366 1.00 0.00 C ATOM 370 C GLY A 23 -8.447 -5.321 -1.889 1.00 0.00 C ATOM 371 O GLY A 23 -7.891 -4.370 -2.435 1.00 0.00 O ATOM 0 H GLY A 23 -5.800 -5.493 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.030 -7.416 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.774 -6.567 -0.287 1.00 0.00 H new ATOM 375 N LYS A 24 -9.764 -5.395 -1.713 1.00 0.00 N ATOM 376 CA LYS A 24 -10.660 -4.338 -2.164 1.00 0.00 C ATOM 377 C LYS A 24 -11.640 -3.948 -1.062 1.00 0.00 C ATOM 378 O LYS A 24 -11.936 -4.743 -0.170 1.00 0.00 O ATOM 379 CB LYS A 24 -11.427 -4.785 -3.409 1.00 0.00 C ATOM 380 CG LYS A 24 -12.345 -5.972 -3.165 1.00 0.00 C ATOM 381 CD LYS A 24 -12.727 -6.658 -4.466 1.00 0.00 C ATOM 382 CE LYS A 24 -13.451 -7.970 -4.213 1.00 0.00 C ATOM 383 NZ LYS A 24 -14.922 -7.778 -4.083 1.00 0.00 N ATOM 0 H LYS A 24 -10.234 -6.179 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.055 -3.466 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.019 -3.949 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.714 -5.043 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.850 -6.687 -2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.246 -5.637 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.364 -5.997 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.830 -6.844 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.246 -8.661 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.063 -8.429 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.378 -8.697 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.120 -7.139 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.297 -7.364 -4.960 1.00 0.00 H new ATOM 440 N GLN A 28 -10.558 4.284 4.449 1.00 0.00 N ATOM 441 CA GLN A 28 -9.455 5.220 4.255 1.00 0.00 C ATOM 442 C GLN A 28 -8.109 4.546 4.509 1.00 0.00 C ATOM 443 O GLN A 28 -8.032 3.325 4.657 1.00 0.00 O ATOM 444 CB GLN A 28 -9.615 6.427 5.181 1.00 0.00 C ATOM 445 CG GLN A 28 -10.901 7.203 4.950 1.00 0.00 C ATOM 446 CD GLN A 28 -11.978 6.864 5.964 1.00 0.00 C ATOM 447 OE1 GLN A 28 -11.682 6.470 7.092 1.00 0.00 O ATOM 448 NE2 GLN A 28 -13.235 7.017 5.564 1.00 0.00 N ATOM 0 HA GLN A 28 -9.480 5.557 3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.586 6.087 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.766 7.097 5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.689 8.271 4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.273 6.993 3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.433 7.346 4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.002 6.805 6.202 1.00 0.00 H new ATOM 457 N TRP A 29 -7.049 5.351 4.555 1.00 0.00 N ATOM 458 CA TRP A 29 -5.703 4.835 4.787 1.00 0.00 C ATOM 459 C TRP A 29 -5.605 4.165 6.151 1.00 0.00 C ATOM 460 O TRP A 29 -5.121 3.038 6.265 1.00 0.00 O ATOM 461 CB TRP A 29 -4.674 5.964 4.687 1.00 0.00 C ATOM 462 CG TRP A 29 -3.283 5.531 5.038 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.356 4.988 4.196 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.662 5.601 6.327 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.198 4.715 4.883 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.360 5.083 6.192 1.00 0.00 C ATOM 467 CE3 TRP A 29 -3.080 6.052 7.583 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.475 5.004 7.264 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.200 5.972 8.646 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.910 5.453 8.480 1.00 0.00 C ATOM 0 H TRP A 29 -7.097 6.363 4.435 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.491 4.091 4.019 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.678 6.361 3.672 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.972 6.777 5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.510 4.800 3.144 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.354 4.305 4.483 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.072 6.455 7.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.520 4.602 7.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.513 6.316 9.621 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.245 5.406 9.330 1.00 0.00 H new ATOM 481 N VAL A 30 -6.066 4.865 7.178 1.00 0.00 N ATOM 482 CA VAL A 30 -6.035 4.339 8.535 1.00 0.00 C ATOM 483 C VAL A 30 -6.736 2.990 8.606 1.00 0.00 C ATOM 484 O VAL A 30 -6.376 2.130 9.408 1.00 0.00 O ATOM 485 CB VAL A 30 -6.695 5.307 9.534 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.802 6.513 9.780 1.00 0.00 C ATOM 487 CG2 VAL A 30 -8.064 5.742 9.032 1.00 0.00 C ATOM 0 H VAL A 30 -6.466 5.800 7.097 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.986 4.220 8.808 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.830 4.785 10.481 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.286 7.185 10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.847 6.182 10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.632 7.038 8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.515 6.426 9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.956 6.245 8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.703 4.867 8.913 1.00 0.00 H new ATOM 497 N HIS A 31 -7.740 2.812 7.757 1.00 0.00 N ATOM 498 CA HIS A 31 -8.487 1.566 7.718 1.00 0.00 C ATOM 499 C HIS A 31 -7.649 0.455 7.101 1.00 0.00 C ATOM 500 O HIS A 31 -7.774 -0.710 7.479 1.00 0.00 O ATOM 501 CB HIS A 31 -9.787 1.745 6.933 1.00 0.00 C ATOM 502 CG HIS A 31 -10.991 1.200 7.637 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.583 0.001 7.301 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.716 1.698 8.668 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.618 -0.215 8.093 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.720 0.800 8.931 1.00 0.00 N ATOM 0 H HIS A 31 -8.054 3.515 7.088 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.733 1.285 8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.940 2.806 6.737 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.688 1.253 5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.537 2.628 9.186 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.270 -1.076 8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.430 0.901 9.656 1.00 0.00 H new ATOM 515 N ALA A 32 -6.791 0.818 6.150 1.00 0.00 N ATOM 516 CA ALA A 32 -5.935 -0.159 5.493 1.00 0.00 C ATOM 517 C ALA A 32 -4.856 -0.656 6.443 1.00 0.00 C ATOM 518 O ALA A 32 -4.645 -1.858 6.584 1.00 0.00 O ATOM 519 CB ALA A 32 -5.305 0.442 4.246 1.00 0.00 C ATOM 0 H ALA A 32 -6.672 1.776 5.821 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.551 -1.009 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.668 -0.301 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.089 0.749 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.706 1.309 4.523 1.00 0.00 H new ATOM 525 N ARG A 33 -4.182 0.278 7.102 1.00 0.00 N ATOM 526 CA ARG A 33 -3.130 -0.066 8.046 1.00 0.00 C ATOM 527 C ARG A 33 -3.679 -0.896 9.200 1.00 0.00 C ATOM 528 O ARG A 33 -3.029 -1.828 9.669 1.00 0.00 O ATOM 529 CB ARG A 33 -2.455 1.196 8.585 1.00 0.00 C ATOM 530 CG ARG A 33 -3.427 2.212 9.159 1.00 0.00 C ATOM 531 CD ARG A 33 -3.285 2.327 10.668 1.00 0.00 C ATOM 532 NE ARG A 33 -3.692 3.642 11.158 1.00 0.00 N ATOM 533 CZ ARG A 33 -3.912 3.916 12.440 1.00 0.00 C ATOM 534 NH1 ARG A 33 -3.763 2.971 13.359 1.00 0.00 N ATOM 535 NH2 ARG A 33 -4.279 5.137 12.805 1.00 0.00 N ATOM 0 H ARG A 33 -4.346 1.279 6.999 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.389 -0.663 7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.741 0.913 9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.886 1.664 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.251 3.185 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.448 1.922 8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.890 1.558 11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.249 2.140 10.950 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.814 4.392 10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.479 2.031 13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.933 3.184 14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.393 5.867 12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.448 5.346 13.789 1.00 0.00 H new ATOM 549 N TYR A 34 -4.878 -0.548 9.657 1.00 0.00 N ATOM 550 CA TYR A 34 -5.508 -1.260 10.761 1.00 0.00 C ATOM 551 C TYR A 34 -5.989 -2.641 10.328 1.00 0.00 C ATOM 552 O TYR A 34 -5.874 -3.612 11.077 1.00 0.00 O ATOM 553 CB TYR A 34 -6.681 -0.449 11.316 1.00 0.00 C ATOM 554 CG TYR A 34 -6.905 -0.645 12.799 1.00 0.00 C ATOM 555 CD1 TYR A 34 -7.543 -1.781 13.280 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.481 0.307 13.716 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.750 -1.963 14.635 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.684 0.133 15.072 1.00 0.00 C ATOM 559 CZ TYR A 34 -7.319 -1.003 15.526 1.00 0.00 C ATOM 560 OH TYR A 34 -7.523 -1.181 16.875 1.00 0.00 O ATOM 0 H TYR A 34 -5.431 0.222 9.280 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.760 -1.390 11.543 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.505 0.609 11.120 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.589 -0.726 10.780 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.883 -2.534 12.585 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.984 1.199 13.364 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.247 -2.852 14.994 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.347 0.883 15.772 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.159 -0.414 17.365 1.00 0.00 H new ATOM 570 N ALA A 35 -6.533 -2.720 9.121 1.00 0.00 N ATOM 571 CA ALA A 35 -7.041 -3.981 8.593 1.00 0.00 C ATOM 572 C ALA A 35 -5.914 -4.971 8.335 1.00 0.00 C ATOM 573 O ALA A 35 -6.060 -6.169 8.583 1.00 0.00 O ATOM 574 CB ALA A 35 -7.838 -3.741 7.320 1.00 0.00 C ATOM 0 H ALA A 35 -6.634 -1.926 8.488 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.700 -4.415 9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.210 -4.692 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.679 -3.083 7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.197 -3.276 6.571 1.00 0.00 H new ATOM 580 N CYS A 36 -4.791 -4.469 7.840 1.00 0.00 N ATOM 581 CA CYS A 36 -3.643 -5.317 7.556 1.00 0.00 C ATOM 582 C CYS A 36 -2.906 -5.668 8.842 1.00 0.00 C ATOM 583 O CYS A 36 -2.248 -6.705 8.933 1.00 0.00 O ATOM 584 CB CYS A 36 -2.696 -4.624 6.575 1.00 0.00 C ATOM 585 SG CYS A 36 -3.518 -3.966 5.086 1.00 0.00 S ATOM 0 H CYS A 36 -4.651 -3.481 7.627 1.00 0.00 H new ATOM 0 HA CYS A 36 -4.003 -6.239 7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.191 -3.806 7.090 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.926 -5.332 6.269 1.00 0.00 H new ATOM 590 N ASP A 37 -3.028 -4.795 9.838 1.00 0.00 N ATOM 591 CA ASP A 37 -2.380 -5.008 11.127 1.00 0.00 C ATOM 592 C ASP A 37 -3.114 -6.069 11.940 1.00 0.00 C ATOM 593 O ASP A 37 -2.544 -6.674 12.848 1.00 0.00 O ATOM 594 CB ASP A 37 -2.322 -3.699 11.916 1.00 0.00 C ATOM 595 CG ASP A 37 -1.317 -3.752 13.050 1.00 0.00 C ATOM 596 OD1 ASP A 37 -0.138 -3.413 12.814 1.00 0.00 O ATOM 597 OD2 ASP A 37 -1.709 -4.131 14.174 1.00 0.00 O ATOM 0 H ASP A 37 -3.570 -3.933 9.776 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.365 -5.358 10.938 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.062 -2.883 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.310 -3.477 12.320 1.00 0.00 H new ATOM 602 N ASP A 38 -4.386 -6.281 11.613 1.00 0.00 N ATOM 603 CA ASP A 38 -5.206 -7.259 12.320 1.00 0.00 C ATOM 604 C ASP A 38 -4.600 -8.657 12.248 1.00 0.00 C ATOM 605 O ASP A 38 -4.626 -9.401 13.228 1.00 0.00 O ATOM 606 CB ASP A 38 -6.622 -7.278 11.739 1.00 0.00 C ATOM 607 CG ASP A 38 -7.605 -8.005 12.635 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.924 -7.475 13.720 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.055 -9.105 12.253 1.00 0.00 O ATOM 0 H ASP A 38 -4.871 -5.788 10.863 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.245 -6.962 13.368 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.963 -6.254 11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.604 -7.757 10.760 1.00 0.00 H new ATOM 614 N MET A 39 -4.055 -9.007 11.086 1.00 0.00 N ATOM 615 CA MET A 39 -3.444 -10.320 10.891 1.00 0.00 C ATOM 616 C MET A 39 -2.769 -10.431 9.526 1.00 0.00 C ATOM 617 O MET A 39 -1.816 -11.193 9.363 1.00 0.00 O ATOM 618 CB MET A 39 -4.498 -11.420 11.031 1.00 0.00 C ATOM 619 CG MET A 39 -4.400 -12.190 12.336 1.00 0.00 C ATOM 620 SD MET A 39 -5.573 -13.557 12.427 1.00 0.00 S ATOM 621 CE MET A 39 -6.199 -13.355 14.093 1.00 0.00 C ATOM 0 H MET A 39 -4.024 -8.401 10.266 1.00 0.00 H new ATOM 0 HA MET A 39 -2.680 -10.443 11.659 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.490 -10.974 10.955 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.397 -12.117 10.199 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.387 -12.577 12.449 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.576 -11.509 13.169 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.938 -14.129 14.301 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.376 -13.438 14.803 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.664 -12.374 14.190 1.00 0.00 H new ATOM 631 N GLU A 40 -3.276 -9.682 8.549 1.00 0.00 N ATOM 632 CA GLU A 40 -2.730 -9.706 7.193 1.00 0.00 C ATOM 633 C GLU A 40 -1.203 -9.654 7.201 1.00 0.00 C ATOM 634 O GLU A 40 -0.542 -10.693 7.188 1.00 0.00 O ATOM 635 CB GLU A 40 -3.300 -8.546 6.371 1.00 0.00 C ATOM 636 CG GLU A 40 -4.821 -8.503 6.343 1.00 0.00 C ATOM 637 CD GLU A 40 -5.448 -9.884 6.285 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.016 -10.699 5.442 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.372 -10.150 7.083 1.00 0.00 O ATOM 0 H GLU A 40 -4.066 -9.049 8.671 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.026 -10.648 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.927 -7.606 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.929 -8.620 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.181 -7.982 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.148 -7.924 5.479 1.00 0.00 H new ATOM 646 N GLY A 41 -0.642 -8.448 7.218 1.00 0.00 N ATOM 647 CA GLY A 41 0.806 -8.314 7.225 1.00 0.00 C ATOM 648 C GLY A 41 1.286 -6.961 7.713 1.00 0.00 C ATOM 649 O GLY A 41 1.438 -6.739 8.915 1.00 0.00 O ATOM 0 H GLY A 41 -1.158 -7.568 7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.232 -9.092 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.183 -8.482 6.216 1.00 0.00 H new ATOM 653 N GLN A 42 1.549 -6.070 6.770 1.00 0.00 N ATOM 654 CA GLN A 42 2.044 -4.736 7.062 1.00 0.00 C ATOM 655 C GLN A 42 1.590 -3.807 5.965 1.00 0.00 C ATOM 656 O GLN A 42 1.235 -4.263 4.885 1.00 0.00 O ATOM 657 CB GLN A 42 3.573 -4.735 7.124 1.00 0.00 C ATOM 658 CG GLN A 42 4.187 -3.342 7.099 1.00 0.00 C ATOM 659 CD GLN A 42 5.701 -3.371 7.045 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.354 -3.956 7.909 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.267 -2.736 6.026 1.00 0.00 N ATOM 0 H GLN A 42 1.424 -6.254 5.775 1.00 0.00 H new ATOM 0 HA GLN A 42 1.656 -4.409 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.891 -5.246 8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.962 -5.309 6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.807 -2.797 6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.870 -2.794 7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.686 -2.264 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.283 -2.720 5.936 1.00 0.00 H new ATOM 670 N LEU A 43 1.608 -2.512 6.197 1.00 0.00 N ATOM 671 CA LEU A 43 1.202 -1.633 5.141 1.00 0.00 C ATOM 672 C LEU A 43 2.345 -1.608 4.136 1.00 0.00 C ATOM 673 O LEU A 43 3.451 -1.152 4.425 1.00 0.00 O ATOM 674 CB LEU A 43 0.911 -0.236 5.694 1.00 0.00 C ATOM 675 CG LEU A 43 -0.288 0.496 5.085 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.537 -0.362 5.144 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.518 1.815 5.803 1.00 0.00 C ATOM 0 H LEU A 43 1.888 -2.066 7.071 1.00 0.00 H new ATOM 0 HA LEU A 43 0.284 -1.976 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.751 -0.320 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.798 0.381 5.550 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.067 0.698 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.373 0.182 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.372 -1.284 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.765 -0.601 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.373 2.326 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.715 1.625 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.369 2.441 5.706 1.00 0.00 H new ATOM 689 N VAL A 44 2.045 -2.165 2.973 1.00 0.00 N ATOM 690 CA VAL A 44 2.985 -2.316 1.866 1.00 0.00 C ATOM 691 C VAL A 44 4.104 -1.288 1.854 1.00 0.00 C ATOM 692 O VAL A 44 5.264 -1.616 2.103 1.00 0.00 O ATOM 693 CB VAL A 44 2.242 -2.263 0.526 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.988 -3.665 0.005 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.936 -1.501 0.681 1.00 0.00 C ATOM 0 H VAL A 44 1.118 -2.535 2.765 1.00 0.00 H new ATOM 0 HA VAL A 44 3.453 -3.289 2.014 1.00 0.00 H new ATOM 0 HB VAL A 44 2.864 -1.738 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.460 -3.609 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.939 -4.178 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.382 -4.216 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.417 -1.470 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.308 -2.002 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.145 -0.484 1.014 1.00 0.00 H new ATOM 705 N SER A 45 3.753 -0.060 1.525 1.00 0.00 N ATOM 706 CA SER A 45 4.732 1.020 1.433 1.00 0.00 C ATOM 707 C SER A 45 5.691 0.742 0.281 1.00 0.00 C ATOM 708 O SER A 45 6.911 0.761 0.448 1.00 0.00 O ATOM 709 CB SER A 45 5.509 1.165 2.740 1.00 0.00 C ATOM 710 OG SER A 45 5.861 2.516 2.974 1.00 0.00 O ATOM 0 H SER A 45 2.795 0.221 1.315 1.00 0.00 H new ATOM 0 HA SER A 45 4.203 1.955 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.906 0.794 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.410 0.552 2.702 1.00 0.00 H new ATOM 0 HG SER A 45 6.697 2.553 3.483 1.00 0.00 H new ATOM 716 N ILE A 46 5.109 0.466 -0.881 1.00 0.00 N ATOM 717 CA ILE A 46 5.867 0.155 -2.092 1.00 0.00 C ATOM 718 C ILE A 46 7.111 1.027 -2.226 1.00 0.00 C ATOM 719 O ILE A 46 7.083 2.220 -1.926 1.00 0.00 O ATOM 720 CB ILE A 46 5.004 0.318 -3.365 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.695 1.058 -3.051 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.718 -1.038 -3.992 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.595 0.165 -2.512 1.00 0.00 C ATOM 0 H ILE A 46 4.098 0.451 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 46 6.172 -0.887 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 46 5.565 0.918 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.900 1.844 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.340 1.547 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.110 -0.904 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.658 -1.520 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.181 -1.663 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.705 0.763 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.360 -0.606 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.928 -0.305 -1.587 1.00 0.00 H new ATOM 735 N HIS A 47 8.200 0.415 -2.681 1.00 0.00 N ATOM 736 CA HIS A 47 9.462 1.123 -2.860 1.00 0.00 C ATOM 737 C HIS A 47 10.023 0.888 -4.260 1.00 0.00 C ATOM 738 O HIS A 47 11.045 1.463 -4.632 1.00 0.00 O ATOM 739 CB HIS A 47 10.477 0.673 -1.809 1.00 0.00 C ATOM 740 CG HIS A 47 10.630 -0.815 -1.722 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.540 -1.524 -2.477 1.00 0.00 N ATOM 742 CD2 HIS A 47 9.983 -1.729 -0.962 1.00 0.00 C ATOM 743 CE1 HIS A 47 11.446 -2.808 -2.186 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.509 -2.959 -1.269 1.00 0.00 N ATOM 0 H HIS A 47 8.233 -0.573 -2.933 1.00 0.00 H new ATOM 0 HA HIS A 47 9.273 2.189 -2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.446 1.117 -2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.173 1.056 -0.835 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.199 -1.528 -0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 47 12.035 -3.600 -2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.222 -3.846 -0.855 1.00 0.00 H new ATOM 753 N SER A 48 9.344 0.045 -5.032 1.00 0.00 N ATOM 754 CA SER A 48 9.771 -0.259 -6.388 1.00 0.00 C ATOM 755 C SER A 48 8.711 0.183 -7.384 1.00 0.00 C ATOM 756 O SER A 48 7.563 -0.251 -7.305 1.00 0.00 O ATOM 757 CB SER A 48 10.041 -1.758 -6.539 1.00 0.00 C ATOM 758 OG SER A 48 10.788 -2.254 -5.443 1.00 0.00 O ATOM 0 H SER A 48 8.495 -0.439 -4.739 1.00 0.00 H new ATOM 0 HA SER A 48 10.694 0.284 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.096 -2.296 -6.612 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.584 -1.941 -7.466 1.00 0.00 H new ATOM 0 HG SER A 48 10.182 -2.676 -4.798 1.00 0.00 H new ATOM 764 N PRO A 49 9.077 1.056 -8.339 1.00 0.00 N ATOM 765 CA PRO A 49 8.140 1.545 -9.350 1.00 0.00 C ATOM 766 C PRO A 49 7.312 0.414 -9.942 1.00 0.00 C ATOM 767 O PRO A 49 6.163 0.609 -10.337 1.00 0.00 O ATOM 768 CB PRO A 49 9.059 2.161 -10.404 1.00 0.00 C ATOM 769 CG PRO A 49 10.250 2.617 -9.633 1.00 0.00 C ATOM 770 CD PRO A 49 10.427 1.628 -8.512 1.00 0.00 C ATOM 0 HA PRO A 49 7.412 2.248 -8.946 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.334 1.432 -11.167 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.575 2.992 -10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.136 2.649 -10.267 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.100 3.624 -9.244 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.158 0.861 -8.766 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.777 2.113 -7.601 1.00 0.00 H new ATOM 778 N GLU A 50 7.903 -0.777 -9.983 1.00 0.00 N ATOM 779 CA GLU A 50 7.221 -1.951 -10.506 1.00 0.00 C ATOM 780 C GLU A 50 6.165 -2.441 -9.533 1.00 0.00 C ATOM 781 O GLU A 50 5.044 -2.759 -9.926 1.00 0.00 O ATOM 782 CB GLU A 50 8.221 -3.072 -10.783 1.00 0.00 C ATOM 783 CG GLU A 50 7.566 -4.376 -11.194 1.00 0.00 C ATOM 784 CD GLU A 50 8.499 -5.564 -11.065 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.571 -5.549 -11.707 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.159 -6.508 -10.322 1.00 0.00 O ATOM 0 H GLU A 50 8.854 -0.952 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 50 6.734 -1.666 -11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.904 -2.753 -11.570 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.822 -3.242 -9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.682 -4.544 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.225 -4.297 -12.226 1.00 0.00 H new ATOM 793 N GLU A 51 6.536 -2.511 -8.260 1.00 0.00 N ATOM 794 CA GLU A 51 5.625 -2.975 -7.227 1.00 0.00 C ATOM 795 C GLU A 51 4.450 -2.015 -7.076 1.00 0.00 C ATOM 796 O GLU A 51 3.301 -2.442 -6.965 1.00 0.00 O ATOM 797 CB GLU A 51 6.364 -3.129 -5.898 1.00 0.00 C ATOM 798 CG GLU A 51 7.435 -4.207 -5.920 1.00 0.00 C ATOM 799 CD GLU A 51 8.127 -4.367 -4.581 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.594 -3.349 -4.027 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.205 -5.512 -4.085 1.00 0.00 O ATOM 0 H GLU A 51 7.462 -2.252 -7.921 1.00 0.00 H new ATOM 0 HA GLU A 51 5.235 -3.949 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.824 -2.177 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.642 -3.361 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.984 -5.157 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.176 -3.963 -6.681 1.00 0.00 H new ATOM 808 N GLN A 52 4.742 -0.717 -7.083 1.00 0.00 N ATOM 809 CA GLN A 52 3.702 0.296 -6.958 1.00 0.00 C ATOM 810 C GLN A 52 2.779 0.242 -8.166 1.00 0.00 C ATOM 811 O GLN A 52 1.562 0.341 -8.037 1.00 0.00 O ATOM 812 CB GLN A 52 4.318 1.695 -6.805 1.00 0.00 C ATOM 813 CG GLN A 52 4.771 2.324 -8.117 1.00 0.00 C ATOM 814 CD GLN A 52 3.731 3.241 -8.747 1.00 0.00 C ATOM 815 OE1 GLN A 52 4.039 3.989 -9.675 1.00 0.00 O ATOM 816 NE2 GLN A 52 2.495 3.194 -8.253 1.00 0.00 N ATOM 0 H GLN A 52 5.687 -0.344 -7.174 1.00 0.00 H new ATOM 0 HA GLN A 52 3.118 0.089 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.587 2.352 -6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.172 1.632 -6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.685 2.892 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.019 1.532 -8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.277 2.561 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.766 3.791 -8.644 1.00 0.00 H new ATOM 825 N ASP A 53 3.374 0.053 -9.338 1.00 0.00 N ATOM 826 CA ASP A 53 2.624 -0.051 -10.578 1.00 0.00 C ATOM 827 C ASP A 53 1.818 -1.340 -10.581 1.00 0.00 C ATOM 828 O ASP A 53 0.720 -1.403 -11.133 1.00 0.00 O ATOM 829 CB ASP A 53 3.567 -0.017 -11.781 1.00 0.00 C ATOM 830 CG ASP A 53 2.843 0.300 -13.075 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.241 1.390 -13.166 1.00 0.00 O ATOM 832 OD2 ASP A 53 2.879 -0.542 -13.997 1.00 0.00 O ATOM 0 H ASP A 53 4.384 -0.032 -9.453 1.00 0.00 H new ATOM 0 HA ASP A 53 1.945 0.798 -10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.343 0.729 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.067 -0.981 -11.874 1.00 0.00 H new ATOM 837 N PHE A 54 2.394 -2.374 -9.976 1.00 0.00 N ATOM 838 CA PHE A 54 1.768 -3.680 -9.910 1.00 0.00 C ATOM 839 C PHE A 54 0.426 -3.619 -9.195 1.00 0.00 C ATOM 840 O PHE A 54 -0.588 -4.076 -9.721 1.00 0.00 O ATOM 841 CB PHE A 54 2.698 -4.630 -9.159 1.00 0.00 C ATOM 842 CG PHE A 54 3.169 -5.794 -9.975 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.388 -6.928 -10.099 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.398 -5.755 -10.609 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.821 -8.005 -10.844 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.841 -6.827 -11.355 1.00 0.00 C ATOM 847 CZ PHE A 54 4.051 -7.956 -11.475 1.00 0.00 C ATOM 0 H PHE A 54 3.305 -2.326 -9.520 1.00 0.00 H new ATOM 0 HA PHE A 54 1.592 -4.033 -10.926 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.565 -4.071 -8.808 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.181 -5.004 -8.275 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.428 -6.971 -9.607 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.018 -4.875 -10.519 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.201 -8.885 -10.934 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.803 -6.785 -11.844 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.394 -8.797 -12.060 1.00 0.00 H new ATOM 857 N LEU A 55 0.422 -3.036 -8.004 1.00 0.00 N ATOM 858 CA LEU A 55 -0.804 -2.900 -7.234 1.00 0.00 C ATOM 859 C LEU A 55 -1.675 -1.804 -7.822 1.00 0.00 C ATOM 860 O LEU A 55 -2.899 -1.887 -7.792 1.00 0.00 O ATOM 861 CB LEU A 55 -0.504 -2.598 -5.775 1.00 0.00 C ATOM 862 CG LEU A 55 0.742 -1.767 -5.542 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.357 -0.317 -5.354 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.510 -2.290 -4.343 1.00 0.00 C ATOM 0 H LEU A 55 1.252 -2.651 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.339 -3.848 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.358 -2.076 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.401 -3.540 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 55 1.394 -1.842 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.254 0.279 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.156 0.042 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.305 -0.225 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.402 -1.683 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.879 -2.239 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.802 -3.325 -4.521 1.00 0.00 H new ATOM 876 N THR A 56 -1.025 -0.774 -8.356 1.00 0.00 N ATOM 877 CA THR A 56 -1.731 0.341 -8.958 1.00 0.00 C ATOM 878 C THR A 56 -2.579 -0.162 -10.117 1.00 0.00 C ATOM 879 O THR A 56 -3.734 0.231 -10.279 1.00 0.00 O ATOM 880 CB THR A 56 -0.737 1.410 -9.433 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.877 2.601 -8.679 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.884 1.774 -10.893 1.00 0.00 C ATOM 0 H THR A 56 -0.009 -0.693 -8.382 1.00 0.00 H new ATOM 0 HA THR A 56 -2.385 0.797 -8.215 1.00 0.00 H new ATOM 0 HB THR A 56 0.246 0.961 -9.289 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.233 3.267 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.148 2.535 -11.154 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.723 0.888 -11.507 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.887 2.163 -11.072 1.00 0.00 H new ATOM 890 N LYS A 57 -1.998 -1.062 -10.902 1.00 0.00 N ATOM 891 CA LYS A 57 -2.693 -1.657 -12.028 1.00 0.00 C ATOM 892 C LYS A 57 -3.701 -2.668 -11.507 1.00 0.00 C ATOM 893 O LYS A 57 -4.790 -2.827 -12.060 1.00 0.00 O ATOM 894 CB LYS A 57 -1.704 -2.334 -12.978 1.00 0.00 C ATOM 895 CG LYS A 57 -1.831 -1.871 -14.420 1.00 0.00 C ATOM 896 CD LYS A 57 -0.846 -0.757 -14.736 1.00 0.00 C ATOM 897 CE LYS A 57 -1.508 0.610 -14.659 1.00 0.00 C ATOM 898 NZ LYS A 57 -0.669 1.670 -15.284 1.00 0.00 N ATOM 0 H LYS A 57 -1.042 -1.394 -10.775 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.211 -0.876 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.689 -2.140 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.854 -3.413 -12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.657 -2.713 -15.090 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.847 -1.522 -14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.011 -0.798 -14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.433 -0.907 -15.734 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.477 0.573 -15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.696 0.864 -13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.156 2.586 -15.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.246 1.724 -14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.511 1.441 -16.286 1.00 0.00 H new ATOM 912 N HIS A 58 -3.326 -3.337 -10.420 1.00 0.00 N ATOM 913 CA HIS A 58 -4.188 -4.324 -9.793 1.00 0.00 C ATOM 914 C HIS A 58 -5.424 -3.647 -9.213 1.00 0.00 C ATOM 915 O HIS A 58 -6.504 -4.236 -9.170 1.00 0.00 O ATOM 916 CB HIS A 58 -3.435 -5.063 -8.688 1.00 0.00 C ATOM 917 CG HIS A 58 -3.905 -6.470 -8.490 1.00 0.00 C ATOM 918 ND1 HIS A 58 -4.997 -6.798 -7.715 1.00 0.00 N ATOM 919 CD2 HIS A 58 -3.425 -7.641 -8.973 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.168 -8.108 -7.729 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.228 -8.643 -8.485 1.00 0.00 N ATOM 0 H HIS A 58 -2.426 -3.210 -9.957 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.498 -5.045 -10.550 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.371 -5.073 -8.927 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.547 -4.515 -7.752 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.582 -6.133 -7.209 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -2.570 -7.764 -9.621 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.945 -8.649 -7.210 1.00 0.00 H new ATOM 983 N GLY A 63 -7.690 2.854 -6.261 1.00 0.00 N ATOM 984 CA GLY A 63 -6.276 2.813 -5.936 1.00 0.00 C ATOM 985 C GLY A 63 -5.967 1.854 -4.805 1.00 0.00 C ATOM 986 O GLY A 63 -6.842 1.118 -4.351 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.712 2.519 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.941 3.813 -5.662 1.00 0.00 H new ATOM 990 N SER A 64 -4.719 1.865 -4.347 1.00 0.00 N ATOM 991 CA SER A 64 -4.291 0.989 -3.259 1.00 0.00 C ATOM 992 C SER A 64 -3.714 1.807 -2.108 1.00 0.00 C ATOM 993 O SER A 64 -3.361 2.973 -2.284 1.00 0.00 O ATOM 994 CB SER A 64 -3.255 -0.019 -3.762 1.00 0.00 C ATOM 995 OG SER A 64 -2.174 -0.139 -2.853 1.00 0.00 O ATOM 0 H SER A 64 -3.985 2.471 -4.712 1.00 0.00 H new ATOM 0 HA SER A 64 -5.162 0.444 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.727 -0.992 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.881 0.295 -4.736 1.00 0.00 H new ATOM 0 HG SER A 64 -1.570 0.625 -2.960 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.613 1.197 -0.930 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.070 1.899 0.231 1.00 0.00 C ATOM 1003 C TRP A 65 -1.672 1.404 0.555 1.00 0.00 C ATOM 1004 O TRP A 65 -1.420 0.201 0.593 1.00 0.00 O ATOM 1005 CB TRP A 65 -3.987 1.745 1.446 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.128 2.714 1.437 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.048 4.073 1.544 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.520 2.402 1.306 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.305 4.625 1.490 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.225 3.620 1.343 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.237 1.213 1.161 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.612 3.679 1.239 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.614 1.274 1.058 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.289 2.499 1.097 1.00 0.00 C ATOM 0 H TRP A 65 -3.895 0.233 -0.754 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.012 2.959 -0.018 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.380 0.728 1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.404 1.886 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.131 4.632 1.655 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.519 5.621 1.550 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.725 0.263 1.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.135 4.623 1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.179 0.360 0.945 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.366 2.513 1.013 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.766 2.347 0.768 1.00 0.00 N ATOM 1026 CA ILE A 66 0.618 2.025 1.069 1.00 0.00 C ATOM 1027 C ILE A 66 0.983 2.389 2.499 1.00 0.00 C ATOM 1028 O ILE A 66 0.250 3.102 3.181 1.00 0.00 O ATOM 1029 CB ILE A 66 1.577 2.742 0.105 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.825 4.179 0.568 1.00 0.00 C ATOM 1031 CG2 ILE A 66 1.009 2.717 -1.305 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.388 5.077 -0.509 1.00 0.00 C ATOM 0 H ILE A 66 -0.968 3.346 0.737 1.00 0.00 H new ATOM 0 HA ILE A 66 0.721 0.947 0.945 1.00 0.00 H new ATOM 0 HB ILE A 66 2.534 2.219 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.887 4.602 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.513 4.165 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.694 3.227 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.882 1.684 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.043 3.222 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.537 6.079 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.342 4.678 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.691 5.122 -1.346 1.00 0.00 H new ATOM 1044 N GLY A 67 2.125 1.884 2.938 1.00 0.00 N ATOM 1045 CA GLY A 67 2.598 2.143 4.280 1.00 0.00 C ATOM 1046 C GLY A 67 3.257 3.497 4.417 1.00 0.00 C ATOM 1047 O GLY A 67 4.412 3.591 4.827 1.00 0.00 O ATOM 0 H GLY A 67 2.740 1.292 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.760 2.080 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.308 1.367 4.566 1.00 0.00 H new ATOM 1051 N LEU A 68 2.523 4.545 4.077 1.00 0.00 N ATOM 1052 CA LEU A 68 3.057 5.898 4.170 1.00 0.00 C ATOM 1053 C LEU A 68 2.194 6.798 5.046 1.00 0.00 C ATOM 1054 O LEU A 68 0.993 6.953 4.820 1.00 0.00 O ATOM 1055 CB LEU A 68 3.182 6.519 2.775 1.00 0.00 C ATOM 1056 CG LEU A 68 4.124 7.726 2.675 1.00 0.00 C ATOM 1057 CD1 LEU A 68 3.531 8.942 3.369 1.00 0.00 C ATOM 1058 CD2 LEU A 68 5.485 7.392 3.258 1.00 0.00 C ATOM 0 H LEU A 68 1.563 4.488 3.737 1.00 0.00 H new ATOM 0 HA LEU A 68 4.041 5.820 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.528 5.751 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.190 6.825 2.442 1.00 0.00 H new ATOM 0 HG LEU A 68 4.249 7.967 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.220 9.782 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.582 9.201 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.366 8.715 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.138 8.261 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.374 7.117 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.921 6.558 2.709 1.00 0.00 H new ATOM 1070 N ARG A 69 2.842 7.419 6.023 1.00 0.00 N ATOM 1071 CA ARG A 69 2.189 8.352 6.930 1.00 0.00 C ATOM 1072 C ARG A 69 3.117 9.539 7.185 1.00 0.00 C ATOM 1073 O ARG A 69 4.236 9.362 7.665 1.00 0.00 O ATOM 1074 CB ARG A 69 1.820 7.649 8.242 1.00 0.00 C ATOM 1075 CG ARG A 69 1.919 8.536 9.475 1.00 0.00 C ATOM 1076 CD ARG A 69 3.121 8.169 10.330 1.00 0.00 C ATOM 1077 NE ARG A 69 2.814 8.222 11.757 1.00 0.00 N ATOM 1078 CZ ARG A 69 3.735 8.370 12.705 1.00 0.00 C ATOM 1079 NH1 ARG A 69 5.015 8.481 12.380 1.00 0.00 N ATOM 1080 NH2 ARG A 69 3.373 8.409 13.981 1.00 0.00 N ATOM 0 H ARG A 69 3.837 7.289 6.209 1.00 0.00 H new ATOM 0 HA ARG A 69 1.267 8.717 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.802 7.268 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.473 6.787 8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.994 9.579 9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.008 8.442 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.459 7.166 10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.943 8.850 10.111 1.00 0.00 H new ATOM 0 HE ARG A 69 1.838 8.141 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.297 8.453 11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.719 8.594 13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.389 8.325 14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.079 8.522 14.708 1.00 0.00 H new ATOM 1094 N ASN A 70 2.664 10.745 6.862 1.00 0.00 N ATOM 1095 CA ASN A 70 3.487 11.934 7.065 1.00 0.00 C ATOM 1096 C ASN A 70 3.189 12.584 8.410 1.00 0.00 C ATOM 1097 O ASN A 70 2.033 12.694 8.818 1.00 0.00 O ATOM 1098 CB ASN A 70 3.275 12.937 5.928 1.00 0.00 C ATOM 1099 CG ASN A 70 3.668 14.349 6.319 1.00 0.00 C ATOM 1100 OD1 ASN A 70 4.816 14.758 6.142 1.00 0.00 O ATOM 1101 ND2 ASN A 70 2.715 15.102 6.856 1.00 0.00 N ATOM 0 H ASN A 70 1.743 10.926 6.463 1.00 0.00 H new ATOM 0 HA ASN A 70 4.532 11.623 7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.859 12.628 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.227 12.925 5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.921 16.060 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.777 14.723 6.984 1.00 0.00 H new ATOM 1202 N PHE A 77 7.448 12.539 5.101 1.00 0.00 N ATOM 1203 CA PHE A 77 6.652 11.323 5.004 1.00 0.00 C ATOM 1204 C PHE A 77 7.414 10.137 5.579 1.00 0.00 C ATOM 1205 O PHE A 77 8.517 9.818 5.138 1.00 0.00 O ATOM 1206 CB PHE A 77 6.263 11.029 3.547 1.00 0.00 C ATOM 1207 CG PHE A 77 5.768 12.218 2.760 1.00 0.00 C ATOM 1208 CD1 PHE A 77 5.608 13.464 3.352 1.00 0.00 C ATOM 1209 CD2 PHE A 77 5.470 12.083 1.412 1.00 0.00 C ATOM 1210 CE1 PHE A 77 5.166 14.547 2.619 1.00 0.00 C ATOM 1211 CE2 PHE A 77 5.025 13.165 0.675 1.00 0.00 C ATOM 1212 CZ PHE A 77 4.875 14.398 1.279 1.00 0.00 C ATOM 0 HA PHE A 77 5.741 11.479 5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.129 10.610 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.488 10.263 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.833 13.587 4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.587 11.122 0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.048 15.510 3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.795 13.046 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.530 15.244 0.703 1.00 0.00 H new ATOM 1222 N ILE A 78 6.818 9.494 6.571 1.00 0.00 N ATOM 1223 CA ILE A 78 7.424 8.347 7.222 1.00 0.00 C ATOM 1224 C ILE A 78 6.568 7.101 7.022 1.00 0.00 C ATOM 1225 O ILE A 78 5.342 7.169 7.056 1.00 0.00 O ATOM 1226 CB ILE A 78 7.624 8.611 8.727 1.00 0.00 C ATOM 1227 CG1 ILE A 78 9.094 8.970 8.999 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.168 7.416 9.557 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.818 8.021 9.934 1.00 0.00 C ATOM 0 H ILE A 78 5.905 9.752 6.945 1.00 0.00 H new ATOM 0 HA ILE A 78 8.400 8.181 6.766 1.00 0.00 H new ATOM 0 HB ILE A 78 7.006 9.457 9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.628 8.999 8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.136 9.975 9.420 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.320 7.629 10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.110 7.228 9.373 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.747 6.536 9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.847 8.355 10.066 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.314 8.008 10.901 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.814 7.017 9.509 1.00 0.00 H new ATOM 1241 N TRP A 79 7.218 5.966 6.815 1.00 0.00 N ATOM 1242 CA TRP A 79 6.502 4.713 6.610 1.00 0.00 C ATOM 1243 C TRP A 79 5.930 4.207 7.928 1.00 0.00 C ATOM 1244 O TRP A 79 6.488 4.459 8.994 1.00 0.00 O ATOM 1245 CB TRP A 79 7.431 3.647 6.017 1.00 0.00 C ATOM 1246 CG TRP A 79 7.927 3.958 4.635 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.753 5.118 3.935 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.688 3.090 3.785 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.354 5.022 2.704 1.00 0.00 N ATOM 1250 CE2 TRP A 79 8.935 3.787 2.589 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.183 1.789 3.921 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.655 3.229 1.535 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 9.897 1.236 2.876 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.127 1.955 1.697 1.00 0.00 C ATOM 0 H TRP A 79 8.234 5.885 6.784 1.00 0.00 H new ATOM 0 HA TRP A 79 5.687 4.902 5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.288 3.521 6.678 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.903 2.694 5.995 1.00 0.00 H new ATOM 0 HD1 TRP A 79 7.220 5.985 4.297 1.00 0.00 H new ATOM 0 HE1 TRP A 79 8.366 5.752 1.991 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.010 1.227 4.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.834 3.781 0.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 10.284 0.232 2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 79 10.689 1.494 0.898 1.00 0.00 H new ATOM 1265 N VAL A 80 4.814 3.492 7.845 1.00 0.00 N ATOM 1266 CA VAL A 80 4.165 2.943 9.031 1.00 0.00 C ATOM 1267 C VAL A 80 5.116 2.007 9.775 1.00 0.00 C ATOM 1268 O VAL A 80 4.994 1.808 10.984 1.00 0.00 O ATOM 1269 CB VAL A 80 2.879 2.176 8.651 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.089 1.412 7.359 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.440 1.241 9.769 1.00 0.00 C ATOM 0 H VAL A 80 4.339 3.278 6.968 1.00 0.00 H new ATOM 0 HA VAL A 80 3.898 3.776 9.681 1.00 0.00 H new ATOM 0 HB VAL A 80 2.081 2.903 8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.176 0.875 7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.338 2.110 6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.905 0.700 7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.533 0.717 9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.229 0.516 9.968 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.243 1.820 10.671 1.00 0.00 H new ATOM 1281 N ASP A 81 6.069 1.444 9.039 1.00 0.00 N ATOM 1282 CA ASP A 81 7.049 0.533 9.618 1.00 0.00 C ATOM 1283 C ASP A 81 8.120 1.308 10.378 1.00 0.00 C ATOM 1284 O ASP A 81 8.991 0.719 11.019 1.00 0.00 O ATOM 1285 CB ASP A 81 7.697 -0.311 8.521 1.00 0.00 C ATOM 1286 CG ASP A 81 8.342 -1.571 9.066 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.690 -2.274 9.866 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.500 -1.853 8.692 1.00 0.00 O ATOM 0 H ASP A 81 6.183 1.603 8.038 1.00 0.00 H new ATOM 0 HA ASP A 81 6.534 -0.126 10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.943 -0.582 7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.449 0.285 8.005 1.00 0.00 H new ATOM 1293 N GLY A 82 8.042 2.632 10.302 1.00 0.00 N ATOM 1294 CA GLY A 82 9.000 3.475 10.985 1.00 0.00 C ATOM 1295 C GLY A 82 10.252 3.726 10.167 1.00 0.00 C ATOM 1296 O GLY A 82 11.362 3.702 10.700 1.00 0.00 O ATOM 0 H GLY A 82 7.328 3.136 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.531 4.429 11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.277 3.009 11.931 1.00 0.00 H new ATOM 1300 N SER A 83 10.078 3.968 8.870 1.00 0.00 N ATOM 1301 CA SER A 83 11.211 4.224 7.986 1.00 0.00 C ATOM 1302 C SER A 83 10.894 5.334 6.988 1.00 0.00 C ATOM 1303 O SER A 83 9.923 5.251 6.242 1.00 0.00 O ATOM 1304 CB SER A 83 11.599 2.947 7.239 1.00 0.00 C ATOM 1305 OG SER A 83 12.992 2.704 7.332 1.00 0.00 O ATOM 0 H SER A 83 9.168 3.992 8.410 1.00 0.00 H new ATOM 0 HA SER A 83 12.049 4.549 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.051 2.100 7.652 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.311 3.033 6.191 1.00 0.00 H new ATOM 0 HG SER A 83 13.214 1.881 6.848 1.00 0.00 H new ATOM 1311 N HIS A 84 11.722 6.375 6.979 1.00 0.00 N ATOM 1312 CA HIS A 84 11.532 7.498 6.072 1.00 0.00 C ATOM 1313 C HIS A 84 11.518 7.035 4.618 1.00 0.00 C ATOM 1314 O HIS A 84 12.147 6.037 4.267 1.00 0.00 O ATOM 1315 CB HIS A 84 12.638 8.534 6.280 1.00 0.00 C ATOM 1316 CG HIS A 84 13.993 7.933 6.486 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.410 7.412 7.692 1.00 0.00 N ATOM 1318 CD2 HIS A 84 15.029 7.768 5.628 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.644 6.955 7.570 1.00 0.00 C ATOM 1320 NE2 HIS A 84 16.041 7.158 6.327 1.00 0.00 N ATOM 0 H HIS A 84 12.532 6.462 7.592 1.00 0.00 H new ATOM 0 HA HIS A 84 10.566 7.952 6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.671 9.196 5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.389 9.151 7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 84 15.054 8.061 4.589 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.228 6.494 8.353 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.953 6.903 5.947 1.00 0.00 H new ATOM 1329 N VAL A 85 10.794 7.770 3.781 1.00 0.00 N ATOM 1330 CA VAL A 85 10.687 7.444 2.362 1.00 0.00 C ATOM 1331 C VAL A 85 12.061 7.412 1.696 1.00 0.00 C ATOM 1332 O VAL A 85 13.020 7.994 2.202 1.00 0.00 O ATOM 1333 CB VAL A 85 9.792 8.459 1.624 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.504 7.991 0.205 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.497 8.679 2.386 1.00 0.00 C ATOM 0 H VAL A 85 10.270 8.599 4.061 1.00 0.00 H new ATOM 0 HA VAL A 85 10.236 6.454 2.296 1.00 0.00 H new ATOM 0 HB VAL A 85 10.325 9.408 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.871 8.722 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.442 7.887 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.993 7.029 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.877 9.398 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.962 7.734 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.721 9.063 3.381 1.00 0.00 H new ATOM 1345 N ASP A 86 12.148 6.722 0.561 1.00 0.00 N ATOM 1346 CA ASP A 86 13.406 6.611 -0.172 1.00 0.00 C ATOM 1347 C ASP A 86 13.230 6.996 -1.639 1.00 0.00 C ATOM 1348 O ASP A 86 14.010 7.780 -2.180 1.00 0.00 O ATOM 1349 CB ASP A 86 13.950 5.185 -0.071 1.00 0.00 C ATOM 1350 CG ASP A 86 14.077 4.715 1.365 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.923 5.269 2.098 1.00 0.00 O ATOM 1352 OD2 ASP A 86 13.330 3.793 1.757 1.00 0.00 O ATOM 0 H ASP A 86 11.364 6.232 0.130 1.00 0.00 H new ATOM 0 HA ASP A 86 14.118 7.303 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.291 4.508 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.926 5.136 -0.554 1.00 0.00 H new ATOM 1357 N TYR A 87 12.208 6.435 -2.281 1.00 0.00 N ATOM 1358 CA TYR A 87 11.943 6.718 -3.690 1.00 0.00 C ATOM 1359 C TYR A 87 10.769 7.676 -3.853 1.00 0.00 C ATOM 1360 O TYR A 87 10.842 8.636 -4.620 1.00 0.00 O ATOM 1361 CB TYR A 87 11.668 5.420 -4.452 1.00 0.00 C ATOM 1362 CG TYR A 87 12.739 4.368 -4.264 1.00 0.00 C ATOM 1363 CD1 TYR A 87 12.737 3.535 -3.152 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.754 4.210 -5.200 1.00 0.00 C ATOM 1365 CE1 TYR A 87 13.715 2.574 -2.978 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.736 3.251 -5.034 1.00 0.00 C ATOM 1367 CZ TYR A 87 14.711 2.436 -3.921 1.00 0.00 C ATOM 1368 OH TYR A 87 15.687 1.481 -3.752 1.00 0.00 O ATOM 0 H TYR A 87 11.552 5.784 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 87 12.831 7.195 -4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 87 10.710 5.014 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.574 5.645 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 87 11.958 3.640 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.776 4.847 -6.072 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.699 1.935 -2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.518 3.141 -5.771 1.00 0.00 H new ATOM 0 HH TYR A 87 16.312 1.515 -4.506 1.00 0.00 H new ATOM 1378 N SER A 88 9.689 7.408 -3.123 1.00 0.00 N ATOM 1379 CA SER A 88 8.484 8.238 -3.172 1.00 0.00 C ATOM 1380 C SER A 88 7.890 8.275 -4.579 1.00 0.00 C ATOM 1381 O SER A 88 8.594 8.073 -5.568 1.00 0.00 O ATOM 1382 CB SER A 88 8.784 9.661 -2.697 1.00 0.00 C ATOM 1383 OG SER A 88 10.153 9.823 -2.368 1.00 0.00 O ATOM 0 H SER A 88 9.622 6.615 -2.484 1.00 0.00 H new ATOM 0 HA SER A 88 7.752 7.788 -2.502 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.510 10.371 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.170 9.892 -1.826 1.00 0.00 H new ATOM 0 HG SER A 88 10.311 10.743 -2.070 1.00 0.00 H new ATOM 1389 N ASN A 89 6.584 8.525 -4.663 1.00 0.00 N ATOM 1390 CA ASN A 89 5.904 8.576 -5.952 1.00 0.00 C ATOM 1391 C ASN A 89 4.925 9.750 -6.043 1.00 0.00 C ATOM 1392 O ASN A 89 4.475 10.086 -7.137 1.00 0.00 O ATOM 1393 CB ASN A 89 5.147 7.273 -6.203 1.00 0.00 C ATOM 1394 CG ASN A 89 6.050 6.113 -6.568 1.00 0.00 C ATOM 1395 OD1 ASN A 89 7.247 6.286 -6.799 1.00 0.00 O ATOM 1396 ND2 ASN A 89 5.473 4.916 -6.623 1.00 0.00 N ATOM 0 H ASN A 89 5.981 8.694 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 89 6.673 8.715 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.578 7.014 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.426 7.429 -7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.026 4.094 -6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.477 4.820 -6.424 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.417 10.990 4.464 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.441 9.643 3.909 1.00 0.00 C ATOM 1600 C CYS A 104 -1.264 9.692 2.395 1.00 0.00 C ATOM 1601 O CYS A 104 -1.725 10.622 1.732 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.753 8.935 4.264 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.569 9.583 5.762 1.00 0.00 S ATOM 0 HA CYS A 104 -0.615 9.079 4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.440 9.023 3.422 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.554 7.872 4.403 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.053 10.735 6.073 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.583 8.693 1.855 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.338 8.631 0.423 1.00 0.00 C ATOM 1610 C VAL A 105 -1.197 7.557 -0.238 1.00 0.00 C ATOM 1611 O VAL A 105 -1.338 6.447 0.277 1.00 0.00 O ATOM 1612 CB VAL A 105 1.151 8.376 0.126 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.363 8.047 -1.339 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.980 9.588 0.519 1.00 0.00 C ATOM 0 H VAL A 105 -0.191 7.915 2.386 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.614 9.598 0.003 1.00 0.00 H new ATOM 0 HB VAL A 105 1.475 7.519 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.423 7.871 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.797 7.152 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.022 8.881 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.031 9.395 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.647 10.456 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.857 9.783 1.584 1.00 0.00 H new ATOM 1624 N MET A 106 -1.780 7.912 -1.376 1.00 0.00 N ATOM 1625 CA MET A 106 -2.648 7.013 -2.126 1.00 0.00 C ATOM 1626 C MET A 106 -2.231 6.952 -3.592 1.00 0.00 C ATOM 1627 O MET A 106 -1.406 7.739 -4.038 1.00 0.00 O ATOM 1628 CB MET A 106 -4.102 7.470 -2.017 1.00 0.00 C ATOM 1629 CG MET A 106 -4.375 8.806 -2.689 1.00 0.00 C ATOM 1630 SD MET A 106 -5.613 8.686 -3.995 1.00 0.00 S ATOM 1631 CE MET A 106 -4.864 9.700 -5.266 1.00 0.00 C ATOM 0 H MET A 106 -1.665 8.830 -1.805 1.00 0.00 H new ATOM 0 HA MET A 106 -2.554 6.015 -1.698 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.746 6.711 -2.462 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.373 7.541 -0.964 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.711 9.523 -1.940 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.447 9.194 -3.108 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.478 9.667 -6.166 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.791 10.729 -4.914 1.00 0.00 H new ATOM 0 HE3 MET A 106 -3.867 9.322 -5.492 1.00 0.00 H new ATOM 1641 N MET A 107 -2.805 6.016 -4.334 1.00 0.00 N ATOM 1642 CA MET A 107 -2.485 5.864 -5.750 1.00 0.00 C ATOM 1643 C MET A 107 -3.744 5.993 -6.599 1.00 0.00 C ATOM 1644 O MET A 107 -4.769 5.379 -6.305 1.00 0.00 O ATOM 1645 CB MET A 107 -1.835 4.508 -6.024 1.00 0.00 C ATOM 1646 CG MET A 107 -1.928 3.529 -4.869 1.00 0.00 C ATOM 1647 SD MET A 107 -0.314 2.902 -4.365 1.00 0.00 S ATOM 1648 CE MET A 107 0.502 2.744 -5.953 1.00 0.00 C ATOM 0 H MET A 107 -3.493 5.351 -3.982 1.00 0.00 H new ATOM 0 HA MET A 107 -1.783 6.655 -6.015 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.305 4.063 -6.901 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.785 4.664 -6.270 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.406 4.018 -4.020 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.566 2.693 -5.156 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.501 2.332 -5.809 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.076 2.079 -6.595 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.578 3.725 -6.422 1.00 0.00 H new ATOM 1707 N ARG A 112 0.735 6.161 -10.369 1.00 0.00 N ATOM 1708 CA ARG A 112 1.643 6.437 -9.264 1.00 0.00 C ATOM 1709 C ARG A 112 0.878 6.842 -8.003 1.00 0.00 C ATOM 1710 O ARG A 112 -0.290 6.491 -7.835 1.00 0.00 O ATOM 1711 CB ARG A 112 2.655 7.522 -9.662 1.00 0.00 C ATOM 1712 CG ARG A 112 2.114 8.946 -9.616 1.00 0.00 C ATOM 1713 CD ARG A 112 0.849 9.097 -10.443 1.00 0.00 C ATOM 1714 NE ARG A 112 1.041 8.659 -11.822 1.00 0.00 N ATOM 1715 CZ ARG A 112 1.537 9.437 -12.780 1.00 0.00 C ATOM 1716 NH1 ARG A 112 1.889 10.687 -12.510 1.00 0.00 N ATOM 1717 NH2 ARG A 112 1.682 8.964 -14.011 1.00 0.00 N ATOM 0 HA ARG A 112 2.188 5.521 -9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.518 7.454 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.010 7.315 -10.672 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.907 9.223 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.874 9.635 -9.985 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.047 8.517 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.533 10.140 -10.435 1.00 0.00 H new ATOM 0 HE ARG A 112 0.780 7.703 -12.064 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.780 11.055 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.269 11.280 -13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.413 8.003 -14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.062 9.561 -14.745 1.00 0.00 H new ATOM 1731 N TRP A 113 1.546 7.577 -7.122 1.00 0.00 N ATOM 1732 CA TRP A 113 0.947 8.028 -5.875 1.00 0.00 C ATOM 1733 C TRP A 113 0.655 9.509 -5.904 1.00 0.00 C ATOM 1734 O TRP A 113 1.239 10.265 -6.676 1.00 0.00 O ATOM 1735 CB TRP A 113 1.869 7.838 -4.677 1.00 0.00 C ATOM 1736 CG TRP A 113 2.481 6.493 -4.501 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.189 5.334 -5.151 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.516 6.193 -3.573 1.00 0.00 C ATOM 1739 NE1 TRP A 113 2.991 4.321 -4.677 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.817 4.829 -3.704 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.217 6.964 -2.643 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.797 4.209 -2.931 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.191 6.351 -1.878 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.474 4.984 -2.025 1.00 0.00 C ATOM 0 H TRP A 113 2.513 7.875 -7.252 1.00 0.00 H new ATOM 0 HA TRP A 113 0.042 7.428 -5.776 1.00 0.00 H new ATOM 0 HB2 TRP A 113 2.674 8.569 -4.750 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.305 8.074 -3.775 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.441 5.225 -5.922 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.975 3.352 -4.996 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.003 8.016 -2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.015 3.157 -3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.743 6.933 -1.155 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.241 4.534 -1.412 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.195 9.913 -4.984 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.518 11.304 -4.796 1.00 0.00 C ATOM 1757 C ASN A 114 -0.575 11.565 -3.297 1.00 0.00 C ATOM 1758 O ASN A 114 -1.362 10.948 -2.578 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.859 11.645 -5.450 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.830 11.462 -6.955 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.081 10.369 -7.463 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.522 12.533 -7.676 1.00 0.00 N ATOM 0 H ASN A 114 -0.680 9.282 -4.346 1.00 0.00 H new ATOM 0 HA ASN A 114 0.240 11.932 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.639 11.013 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -2.122 12.677 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.486 12.470 -8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.321 13.419 -7.213 1.00 0.00 H new ATOM 1769 N ASP A 115 0.278 12.461 -2.832 1.00 0.00 N ATOM 1770 CA ASP A 115 0.346 12.789 -1.419 1.00 0.00 C ATOM 1771 C ASP A 115 -0.738 13.787 -1.023 1.00 0.00 C ATOM 1772 O ASP A 115 -0.849 14.866 -1.605 1.00 0.00 O ATOM 1773 CB ASP A 115 1.726 13.348 -1.084 1.00 0.00 C ATOM 1774 CG ASP A 115 1.911 13.543 0.407 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.086 12.533 1.121 1.00 0.00 O ATOM 1776 OD2 ASP A 115 1.880 14.705 0.862 1.00 0.00 O ATOM 0 H ASP A 115 0.936 12.977 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 115 0.177 11.875 -0.850 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.493 12.670 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.865 14.301 -1.595 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.530 13.413 -0.025 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.604 14.259 0.467 1.00 0.00 C ATOM 1783 C ALA A 116 -2.953 13.895 1.904 1.00 0.00 C ATOM 1784 O ALA A 116 -2.608 12.814 2.374 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.829 14.138 -0.427 1.00 0.00 C ATOM 0 H ALA A 116 -1.445 12.520 0.461 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.265 15.295 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.624 14.778 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.572 14.446 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.171 13.103 -0.438 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.072 5.775 -1.893 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.627 4.743 -2.821 1.00 0.00 C ATOM 1881 C LEU A 122 -10.636 3.601 -2.877 1.00 0.00 C ATOM 1882 O LEU A 122 -11.826 3.807 -2.635 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.252 4.216 -2.407 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.120 5.237 -2.501 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.975 5.992 -1.190 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.815 4.552 -2.873 1.00 0.00 C ATOM 0 HA LEU A 122 -9.549 5.183 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.311 3.854 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.003 3.360 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.365 5.954 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.164 6.715 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.905 6.514 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.752 5.289 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.019 5.294 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.563 3.813 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.926 4.057 -3.838 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.164 2.401 -3.204 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.061 1.265 -3.286 1.00 0.00 C ATOM 1900 C GLY A 123 -10.358 -0.069 -3.134 1.00 0.00 C ATOM 1901 O GLY A 123 -10.948 -1.114 -3.410 1.00 0.00 O ATOM 0 H GLY A 123 -9.186 2.197 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.823 1.356 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.578 1.288 -4.246 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.100 -0.052 -2.694 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.357 -1.290 -2.517 1.00 0.00 C ATOM 1907 C ALA A 124 -7.351 -1.181 -1.386 1.00 0.00 C ATOM 1908 O ALA A 124 -6.581 -0.223 -1.315 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.662 -1.685 -3.809 1.00 0.00 C ATOM 0 H ALA A 124 -8.583 0.795 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.072 -2.068 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.111 -2.613 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.406 -1.828 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.970 -0.897 -4.105 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.351 -2.182 -0.513 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.424 -2.208 0.605 1.00 0.00 C ATOM 1917 C TRP A 125 -5.322 -3.216 0.334 1.00 0.00 C ATOM 1918 O TRP A 125 -5.574 -4.414 0.195 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.141 -2.515 1.928 1.00 0.00 C ATOM 1920 CG TRP A 125 -7.933 -3.790 1.935 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -8.891 -4.172 1.041 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -7.850 -4.840 2.905 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.399 -5.401 1.388 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -8.777 -5.830 2.530 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -7.076 -5.043 4.052 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -8.952 -7.002 3.261 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -7.252 -6.206 4.778 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -8.183 -7.173 4.379 1.00 0.00 C ATOM 0 H TRP A 125 -7.982 -2.982 -0.560 1.00 0.00 H new ATOM 0 HA TRP A 125 -5.980 -1.218 0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.399 -2.561 2.725 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.810 -1.687 2.163 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.204 -3.593 0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.121 -5.910 0.878 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -6.353 -4.304 4.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -9.669 -7.749 2.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -6.662 -6.372 5.667 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -8.296 -8.072 4.966 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.101 -2.715 0.230 1.00 0.00 N ATOM 1940 CA VAL A 126 -2.954 -3.552 -0.058 1.00 0.00 C ATOM 1941 C VAL A 126 -2.017 -3.628 1.147 1.00 0.00 C ATOM 1942 O VAL A 126 -1.717 -2.622 1.788 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.201 -3.017 -1.293 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.762 -3.465 -1.295 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.879 -3.464 -2.570 1.00 0.00 C ATOM 0 H VAL A 126 -3.881 -1.725 0.342 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.311 -4.559 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.222 -1.928 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.260 -3.071 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.264 -3.094 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.720 -4.554 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.331 -3.075 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.894 -4.553 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.901 -3.086 -2.591 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.580 -4.844 1.450 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.695 -5.110 2.579 1.00 0.00 C ATOM 1957 C CYS A 127 0.441 -6.029 2.157 1.00 0.00 C ATOM 1958 O CYS A 127 0.386 -6.636 1.096 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.469 -5.741 3.736 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.262 -5.423 3.699 1.00 0.00 S ATOM 0 H CYS A 127 -1.830 -5.677 0.918 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.278 -4.160 2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.302 -6.818 3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -1.064 -5.366 4.676 1.00 0.00 H new ATOM 1965 N ASP A 128 1.473 -6.119 2.982 1.00 0.00 N ATOM 1966 CA ASP A 128 2.608 -6.968 2.680 1.00 0.00 C ATOM 1967 C ASP A 128 2.878 -7.922 3.834 1.00 0.00 C ATOM 1968 O ASP A 128 2.709 -7.572 5.001 1.00 0.00 O ATOM 1969 CB ASP A 128 3.841 -6.109 2.410 1.00 0.00 C ATOM 1970 CG ASP A 128 5.139 -6.848 2.676 1.00 0.00 C ATOM 1971 OD1 ASP A 128 5.517 -7.702 1.848 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.777 -6.570 3.714 1.00 0.00 O ATOM 0 H ASP A 128 1.545 -5.613 3.865 1.00 0.00 H new ATOM 0 HA ASP A 128 2.381 -7.555 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 128 3.825 -5.773 1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.801 -5.217 3.035 1.00 0.00 H new ATOM 1977 N ARG A 129 3.296 -9.130 3.494 1.00 0.00 N ATOM 1978 CA ARG A 129 3.593 -10.151 4.487 1.00 0.00 C ATOM 1979 C ARG A 129 4.559 -11.178 3.919 1.00 0.00 C ATOM 1980 O ARG A 129 4.555 -11.445 2.719 1.00 0.00 O ATOM 1981 CB ARG A 129 2.305 -10.839 4.945 1.00 0.00 C ATOM 1982 CG ARG A 129 2.420 -11.501 6.309 1.00 0.00 C ATOM 1983 CD ARG A 129 2.365 -13.015 6.199 1.00 0.00 C ATOM 1984 NE ARG A 129 3.346 -13.663 7.065 1.00 0.00 N ATOM 1985 CZ ARG A 129 3.038 -14.248 8.220 1.00 0.00 C ATOM 1986 NH1 ARG A 129 1.782 -14.265 8.645 1.00 0.00 N ATOM 1987 NH2 ARG A 129 3.989 -14.815 8.950 1.00 0.00 N ATOM 0 H ARG A 129 3.438 -9.430 2.530 1.00 0.00 H new ATOM 0 HA ARG A 129 4.059 -9.670 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.501 -10.104 4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.023 -11.591 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.356 -11.203 6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.613 -11.152 6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.365 -13.361 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.544 -13.310 5.165 1.00 0.00 H new ATOM 0 HE ARG A 129 4.322 -13.668 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.049 -13.829 8.086 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.549 -14.714 9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.956 -14.803 8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.753 -15.263 9.835 1.00 0.00 H new ATOM 2001 N LEU A 130 5.380 -11.758 4.781 1.00 0.00 N ATOM 2002 CA LEU A 130 6.343 -12.759 4.349 1.00 0.00 C ATOM 2003 C LEU A 130 5.632 -14.020 3.865 1.00 0.00 C ATOM 2004 O LEU A 130 4.717 -14.516 4.520 1.00 0.00 O ATOM 2005 CB LEU A 130 7.309 -13.092 5.489 1.00 0.00 C ATOM 2006 CG LEU A 130 8.525 -12.162 5.617 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.771 -12.839 5.066 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.283 -10.834 4.906 1.00 0.00 C ATOM 0 H LEU A 130 5.399 -11.554 5.780 1.00 0.00 H new ATOM 0 HA LEU A 130 6.914 -12.350 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.756 -13.071 6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.667 -14.113 5.353 1.00 0.00 H new ATOM 0 HG LEU A 130 8.677 -11.953 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.624 -12.167 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.965 -13.755 5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.619 -13.081 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.161 -10.198 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.096 -11.017 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.419 -10.337 5.347 1.00 0.00 H new ATOM 2020 N ALA A 131 6.058 -14.522 2.707 1.00 0.00 N ATOM 2021 CA ALA A 131 5.462 -15.719 2.120 1.00 0.00 C ATOM 2022 C ALA A 131 5.329 -16.838 3.145 1.00 0.00 C ATOM 2023 O ALA A 131 6.323 -17.321 3.687 1.00 0.00 O ATOM 2024 CB ALA A 131 6.288 -16.188 0.931 1.00 0.00 C ATOM 0 H ALA A 131 6.815 -14.117 2.157 1.00 0.00 H new ATOM 0 HA ALA A 131 4.460 -15.460 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.834 -17.081 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 131 6.322 -15.401 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 131 7.301 -16.419 1.260 1.00 0.00 H new