USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 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 128 LYS NZ :NH3+ -138:sc= 0.63! (180deg=-1.53!) USER MOD Set 1.2: A 129 GLN : amide:sc= 0.151 K(o=0.78,f=-6.9!) USER MOD Set 2.1: A 110 TYR OH : rot -156:sc= 1.09 USER MOD Set 2.2: A 121 HIS : no HE2:sc= 0.613 K(o=1.7,f=-1.9) USER MOD Set 3.1: A 97 LYS NZ :NH3+ -140:sc= 2.09 (180deg=-2.16) USER MOD Set 3.2: A 101 GLN : amide:sc= 0.762 K(o=2.9,f=-5.8) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.869) USER MOD Single : A 113 LYS NZ :NH3+ 168:sc=-0.00432 (180deg=-0.14) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 167:sc= -0.0162 (180deg=-0.24) USER MOD Single : A 123 LYS NZ :NH3+ 166:sc= 1.18 (180deg=0.74) USER MOD Single : A 130 CYS SG : rot 80:sc= 0.139 USER MOD Single : A 135 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.045) USER MOD Single : A 136 ASN : amide:sc= 1.18 K(o=1.2,f=-0.032) USER MOD Single : A 137 HIS : no HE2:sc= -0.042 K(o=-0.042,f=-5.3!) USER MOD Single : A 139 ASN : amide:sc= -0.402 K(o=-0.4,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 9.038 1.088 -8.984 1.00 0.00 N ATOM 2 CA LEU A 90 9.675 -0.067 -8.329 1.00 0.00 C ATOM 3 C LEU A 90 10.542 -0.817 -9.338 1.00 0.00 C ATOM 4 O LEU A 90 10.166 -0.940 -10.502 1.00 0.00 O ATOM 5 CB LEU A 90 8.600 -0.993 -7.733 1.00 0.00 C ATOM 6 CG LEU A 90 9.239 -2.130 -6.915 1.00 0.00 C ATOM 7 CD1 LEU A 90 9.947 -1.564 -5.677 1.00 0.00 C ATOM 8 CD2 LEU A 90 8.146 -3.103 -6.468 1.00 0.00 C ATOM 0 HA LEU A 90 10.312 0.282 -7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.930 -0.415 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.993 -1.414 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 90 9.970 -2.646 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.394 -2.380 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.727 -0.870 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.224 -1.040 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.593 -3.911 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.418 -2.574 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.648 -3.518 -7.344 1.00 0.00 H new ATOM 22 N ILE A 91 11.701 -1.313 -8.891 1.00 0.00 N ATOM 23 CA ILE A 91 12.617 -2.045 -9.755 1.00 0.00 C ATOM 24 C ILE A 91 11.971 -3.367 -10.178 1.00 0.00 C ATOM 25 O ILE A 91 11.179 -3.940 -9.430 1.00 0.00 O ATOM 26 CB ILE A 91 13.937 -2.298 -9.003 1.00 0.00 C ATOM 27 CG1 ILE A 91 14.520 -0.978 -8.451 1.00 0.00 C ATOM 28 CG2 ILE A 91 14.951 -2.961 -9.942 1.00 0.00 C ATOM 29 CD1 ILE A 91 14.707 0.057 -9.568 1.00 0.00 C ATOM 0 H ILE A 91 12.023 -1.217 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 91 12.832 -1.461 -10.650 1.00 0.00 H new ATOM 0 HB ILE A 91 13.731 -2.961 -8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.855 -0.576 -7.687 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.478 -1.174 -7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.883 -3.138 -9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.551 -3.911 -10.297 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.141 -2.307 -10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.119 0.975 -9.148 1.00 0.00 H new ATOM 0 HD12 ILE A 91 15.392 -0.338 -10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.744 0.270 -10.032 1.00 0.00 H new ATOM 41 N LYS A 92 12.311 -3.848 -11.382 1.00 0.00 N ATOM 42 CA LYS A 92 11.766 -5.095 -11.898 1.00 0.00 C ATOM 43 C LYS A 92 12.128 -6.241 -10.951 1.00 0.00 C ATOM 44 O LYS A 92 13.305 -6.493 -10.698 1.00 0.00 O ATOM 45 CB LYS A 92 12.321 -5.342 -13.308 1.00 0.00 C ATOM 46 CG LYS A 92 11.641 -6.558 -13.952 1.00 0.00 C ATOM 47 CD LYS A 92 10.194 -6.218 -14.331 1.00 0.00 C ATOM 48 CE LYS A 92 9.648 -7.293 -15.275 1.00 0.00 C ATOM 49 NZ LYS A 92 8.234 -7.038 -15.608 1.00 0.00 N ATOM 0 H LYS A 92 12.964 -3.384 -12.013 1.00 0.00 H new ATOM 0 HA LYS A 92 10.679 -5.036 -11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.161 -4.459 -13.927 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.398 -5.505 -13.257 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.194 -6.865 -14.839 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.655 -7.400 -13.260 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.576 -6.158 -13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.153 -5.241 -14.812 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.242 -7.315 -16.189 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.744 -8.274 -14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.889 -7.781 -16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.666 -7.041 -14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.149 -6.112 -16.074 1.00 0.00 H new ATOM 63 N GLY A 93 11.108 -6.927 -10.426 1.00 0.00 N ATOM 64 CA GLY A 93 11.304 -8.022 -9.490 1.00 0.00 C ATOM 65 C GLY A 93 11.846 -9.271 -10.193 1.00 0.00 C ATOM 66 O GLY A 93 12.953 -9.705 -9.894 1.00 0.00 O ATOM 0 H GLY A 93 10.130 -6.735 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.998 -7.714 -8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.358 -8.259 -9.002 1.00 0.00 H new ATOM 70 N PRO A 94 11.063 -9.863 -11.122 1.00 0.00 N ATOM 71 CA PRO A 94 11.441 -11.089 -11.815 1.00 0.00 C ATOM 72 C PRO A 94 12.612 -10.910 -12.786 1.00 0.00 C ATOM 73 O PRO A 94 12.959 -11.849 -13.503 1.00 0.00 O ATOM 74 CB PRO A 94 10.186 -11.538 -12.561 1.00 0.00 C ATOM 75 CG PRO A 94 9.140 -10.427 -12.402 1.00 0.00 C ATOM 76 CD PRO A 94 9.757 -9.363 -11.496 1.00 0.00 C ATOM 0 HA PRO A 94 11.793 -11.828 -11.095 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.406 -11.711 -13.614 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.813 -12.478 -12.155 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.876 -10.003 -13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.222 -10.821 -11.966 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.839 -8.408 -12.016 1.00 0.00 H new ATOM 0 HD3 PRO A 94 9.137 -9.194 -10.615 1.00 0.00 H new ATOM 84 N TRP A 95 13.210 -9.721 -12.803 1.00 0.00 N ATOM 85 CA TRP A 95 14.349 -9.407 -13.678 1.00 0.00 C ATOM 86 C TRP A 95 13.959 -9.571 -15.160 1.00 0.00 C ATOM 87 O TRP A 95 12.827 -9.941 -15.476 1.00 0.00 O ATOM 88 CB TRP A 95 15.543 -10.320 -13.325 1.00 0.00 C ATOM 89 CG TRP A 95 16.451 -9.799 -12.256 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.178 -9.759 -10.941 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.794 -9.252 -12.387 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.232 -9.229 -10.235 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.268 -8.891 -11.086 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.670 -9.024 -13.472 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.529 -8.325 -10.878 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.941 -8.449 -13.269 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.365 -8.089 -11.975 1.00 0.00 C ATOM 0 H TRP A 95 12.921 -8.942 -12.211 1.00 0.00 H new ATOM 0 HA TRP A 95 14.639 -8.368 -13.521 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.157 -11.290 -13.011 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.130 -10.488 -14.228 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.253 -10.098 -10.498 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.248 -9.103 -9.223 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.361 -9.294 -14.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.855 -8.072 -9.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.595 -8.283 -14.112 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.333 -7.632 -11.830 1.00 0.00 H new ATOM 108 N THR A 96 14.913 -9.293 -16.067 1.00 0.00 N ATOM 109 CA THR A 96 14.706 -9.454 -17.506 1.00 0.00 C ATOM 110 C THR A 96 15.995 -9.986 -18.127 1.00 0.00 C ATOM 111 O THR A 96 17.083 -9.704 -17.630 1.00 0.00 O ATOM 112 CB THR A 96 14.306 -8.116 -18.166 1.00 0.00 C ATOM 113 OG1 THR A 96 15.452 -7.320 -18.372 1.00 0.00 O ATOM 114 CG2 THR A 96 13.314 -7.352 -17.288 1.00 0.00 C ATOM 0 H THR A 96 15.842 -8.953 -15.819 1.00 0.00 H new ATOM 0 HA THR A 96 13.891 -10.158 -17.674 1.00 0.00 H new ATOM 0 HB THR A 96 13.833 -8.337 -19.123 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.191 -6.474 -18.792 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.047 -6.413 -17.773 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.417 -7.954 -17.144 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.770 -7.143 -16.320 1.00 0.00 H new ATOM 122 N LYS A 97 15.873 -10.753 -19.218 1.00 0.00 N ATOM 123 CA LYS A 97 17.030 -11.315 -19.905 1.00 0.00 C ATOM 124 C LYS A 97 17.974 -10.191 -20.352 1.00 0.00 C ATOM 125 O LYS A 97 19.192 -10.382 -20.408 1.00 0.00 O ATOM 126 CB LYS A 97 16.542 -12.143 -21.104 1.00 0.00 C ATOM 127 CG LYS A 97 17.718 -12.892 -21.744 1.00 0.00 C ATOM 128 CD LYS A 97 18.240 -12.109 -22.960 1.00 0.00 C ATOM 129 CE LYS A 97 19.684 -12.515 -23.268 1.00 0.00 C ATOM 130 NZ LYS A 97 20.584 -12.177 -22.150 1.00 0.00 N ATOM 0 H LYS A 97 14.977 -10.996 -19.641 1.00 0.00 H new ATOM 0 HA LYS A 97 17.587 -11.965 -19.231 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.782 -12.854 -20.779 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.074 -11.490 -21.840 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.517 -13.022 -21.014 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.401 -13.889 -22.051 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.607 -12.303 -23.826 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.190 -11.038 -22.762 1.00 0.00 H new ATOM 0 HE2 LYS A 97 19.729 -13.586 -23.463 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.021 -12.011 -24.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.482 -11.811 -22.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 20.138 -11.452 -21.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.767 -13.029 -21.582 1.00 0.00 H new ATOM 144 N GLU A 98 17.404 -9.024 -20.667 1.00 0.00 N ATOM 145 CA GLU A 98 18.170 -7.864 -21.094 1.00 0.00 C ATOM 146 C GLU A 98 19.012 -7.346 -19.924 1.00 0.00 C ATOM 147 O GLU A 98 20.187 -7.028 -20.095 1.00 0.00 O ATOM 148 CB GLU A 98 17.181 -6.801 -21.611 1.00 0.00 C ATOM 149 CG GLU A 98 17.851 -5.429 -21.745 1.00 0.00 C ATOM 150 CD GLU A 98 19.106 -5.488 -22.612 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.094 -6.272 -23.584 1.00 0.00 O ATOM 152 OE2 GLU A 98 20.054 -4.741 -22.282 1.00 0.00 O ATOM 0 H GLU A 98 16.397 -8.864 -20.631 1.00 0.00 H new ATOM 0 HA GLU A 98 18.859 -8.120 -21.898 1.00 0.00 H new ATOM 0 HB2 GLU A 98 16.786 -7.110 -22.579 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.334 -6.728 -20.929 1.00 0.00 H new ATOM 0 HG2 GLU A 98 17.144 -4.721 -22.178 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.111 -5.054 -20.755 1.00 0.00 H new ATOM 159 N GLU A 99 18.413 -7.269 -18.733 1.00 0.00 N ATOM 160 CA GLU A 99 19.118 -6.815 -17.544 1.00 0.00 C ATOM 161 C GLU A 99 20.209 -7.829 -17.192 1.00 0.00 C ATOM 162 O GLU A 99 21.342 -7.451 -16.889 1.00 0.00 O ATOM 163 CB GLU A 99 18.116 -6.672 -16.391 1.00 0.00 C ATOM 164 CG GLU A 99 18.065 -5.219 -15.913 1.00 0.00 C ATOM 165 CD GLU A 99 16.890 -5.003 -14.968 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.284 -6.026 -14.568 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.620 -3.827 -14.656 1.00 0.00 O ATOM 0 H GLU A 99 17.437 -7.518 -18.572 1.00 0.00 H new ATOM 0 HA GLU A 99 19.585 -5.847 -17.725 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.126 -6.990 -16.718 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.404 -7.324 -15.566 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.996 -4.965 -15.407 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.976 -4.552 -16.770 1.00 0.00 H new ATOM 174 N ASP A 100 19.856 -9.120 -17.238 1.00 0.00 N ATOM 175 CA ASP A 100 20.784 -10.199 -16.935 1.00 0.00 C ATOM 176 C ASP A 100 21.975 -10.166 -17.889 1.00 0.00 C ATOM 177 O ASP A 100 23.093 -10.462 -17.481 1.00 0.00 O ATOM 178 CB ASP A 100 20.055 -11.541 -17.041 1.00 0.00 C ATOM 179 CG ASP A 100 19.276 -11.836 -15.773 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.930 -12.199 -14.776 1.00 0.00 O ATOM 181 OD2 ASP A 100 18.037 -11.695 -15.820 1.00 0.00 O ATOM 0 H ASP A 100 18.919 -9.438 -17.487 1.00 0.00 H new ATOM 0 HA ASP A 100 21.159 -10.071 -15.920 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.376 -11.524 -17.894 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.776 -12.338 -17.223 1.00 0.00 H new ATOM 186 N GLN A 101 21.737 -9.810 -19.162 1.00 0.00 N ATOM 187 CA GLN A 101 22.801 -9.749 -20.159 1.00 0.00 C ATOM 188 C GLN A 101 23.995 -8.960 -19.619 1.00 0.00 C ATOM 189 O GLN A 101 25.143 -9.368 -19.800 1.00 0.00 O ATOM 190 CB GLN A 101 22.267 -9.101 -21.446 1.00 0.00 C ATOM 191 CG GLN A 101 23.311 -9.201 -22.566 1.00 0.00 C ATOM 192 CD GLN A 101 23.715 -10.651 -22.819 1.00 0.00 C ATOM 193 OE1 GLN A 101 22.952 -11.417 -23.403 1.00 0.00 O ATOM 194 NE2 GLN A 101 24.914 -11.027 -22.374 1.00 0.00 N ATOM 0 H GLN A 101 20.814 -9.561 -19.518 1.00 0.00 H new ATOM 0 HA GLN A 101 23.136 -10.762 -20.384 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.345 -9.594 -21.754 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.022 -8.055 -21.260 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.908 -8.768 -23.482 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.192 -8.617 -22.298 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.514 -10.356 -21.894 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.232 -11.986 -22.513 1.00 0.00 H new ATOM 203 N ARG A 102 23.724 -7.830 -18.956 1.00 0.00 N ATOM 204 CA ARG A 102 24.780 -6.998 -18.402 1.00 0.00 C ATOM 205 C ARG A 102 25.497 -7.733 -17.271 1.00 0.00 C ATOM 206 O ARG A 102 26.717 -7.768 -17.253 1.00 0.00 O ATOM 207 CB ARG A 102 24.200 -5.665 -17.917 1.00 0.00 C ATOM 208 CG ARG A 102 24.479 -4.589 -18.971 1.00 0.00 C ATOM 209 CD ARG A 102 23.734 -3.297 -18.621 1.00 0.00 C ATOM 210 NE ARG A 102 22.278 -3.498 -18.619 1.00 0.00 N ATOM 211 CZ ARG A 102 21.563 -3.725 -19.736 1.00 0.00 C ATOM 212 NH1 ARG A 102 22.160 -3.766 -20.932 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.246 -3.913 -19.659 1.00 0.00 N ATOM 0 H ARG A 102 22.781 -7.477 -18.794 1.00 0.00 H new ATOM 0 HA ARG A 102 25.512 -6.786 -19.181 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.127 -5.759 -17.750 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.648 -5.384 -16.964 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.550 -4.395 -19.028 1.00 0.00 H new ATOM 0 HG3 ARG A 102 24.166 -4.943 -19.953 1.00 0.00 H new ATOM 0 HD2 ARG A 102 24.055 -2.945 -17.641 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.994 -2.520 -19.340 1.00 0.00 H new ATOM 0 HE ARG A 102 21.785 -3.464 -17.727 1.00 0.00 H new ATOM 0 HH11 ARG A 102 23.168 -3.624 -21.004 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.608 -3.939 -21.772 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.779 -3.885 -18.753 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.705 -4.085 -20.506 1.00 0.00 H new ATOM 227 N VAL A 103 24.748 -8.322 -16.329 1.00 0.00 N ATOM 228 CA VAL A 103 25.359 -9.052 -15.217 1.00 0.00 C ATOM 229 C VAL A 103 26.308 -10.115 -15.768 1.00 0.00 C ATOM 230 O VAL A 103 27.447 -10.221 -15.323 1.00 0.00 O ATOM 231 CB VAL A 103 24.276 -9.701 -14.344 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.936 -10.471 -13.195 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.365 -8.627 -13.759 1.00 0.00 C ATOM 0 H VAL A 103 23.728 -8.306 -16.316 1.00 0.00 H new ATOM 0 HA VAL A 103 25.923 -8.355 -14.597 1.00 0.00 H new ATOM 0 HB VAL A 103 23.688 -10.382 -14.960 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.166 -10.931 -12.576 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.586 -11.246 -13.602 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.527 -9.784 -12.589 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.600 -9.096 -13.141 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.955 -7.943 -13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.889 -8.073 -14.568 1.00 0.00 H new ATOM 243 N ILE A 104 25.828 -10.896 -16.741 1.00 0.00 N ATOM 244 CA ILE A 104 26.617 -11.945 -17.364 1.00 0.00 C ATOM 245 C ILE A 104 27.927 -11.361 -17.900 1.00 0.00 C ATOM 246 O ILE A 104 29.007 -11.855 -17.575 1.00 0.00 O ATOM 247 CB ILE A 104 25.796 -12.577 -18.503 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.610 -13.372 -17.941 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.688 -13.508 -19.339 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.652 -13.746 -19.078 1.00 0.00 C ATOM 0 H ILE A 104 24.882 -10.813 -17.113 1.00 0.00 H new ATOM 0 HA ILE A 104 26.862 -12.714 -16.631 1.00 0.00 H new ATOM 0 HB ILE A 104 25.413 -11.775 -19.134 1.00 0.00 H new ATOM 0 HG12 ILE A 104 24.967 -14.273 -17.443 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.086 -12.780 -17.191 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.099 -13.951 -20.142 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.512 -12.936 -19.766 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.086 -14.298 -18.703 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.811 -14.310 -18.675 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.284 -12.839 -19.557 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.179 -14.355 -19.812 1.00 0.00 H new ATOM 262 N GLU A 105 27.825 -10.312 -18.727 1.00 0.00 N ATOM 263 CA GLU A 105 28.990 -9.682 -19.330 1.00 0.00 C ATOM 264 C GLU A 105 29.961 -9.196 -18.251 1.00 0.00 C ATOM 265 O GLU A 105 31.147 -9.494 -18.309 1.00 0.00 O ATOM 266 CB GLU A 105 28.533 -8.507 -20.203 1.00 0.00 C ATOM 267 CG GLU A 105 29.705 -8.008 -21.059 1.00 0.00 C ATOM 268 CD GLU A 105 29.515 -6.547 -21.448 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.378 -6.202 -21.831 1.00 0.00 O ATOM 270 OE2 GLU A 105 30.518 -5.802 -21.351 1.00 0.00 O ATOM 0 H GLU A 105 26.937 -9.885 -18.990 1.00 0.00 H new ATOM 0 HA GLU A 105 29.512 -10.413 -19.948 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.709 -8.818 -20.845 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.160 -7.699 -19.574 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.638 -8.122 -20.507 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.790 -8.619 -21.958 1.00 0.00 H new ATOM 277 N LEU A 106 29.452 -8.437 -17.279 1.00 0.00 N ATOM 278 CA LEU A 106 30.275 -7.859 -16.226 1.00 0.00 C ATOM 279 C LEU A 106 30.982 -8.950 -15.418 1.00 0.00 C ATOM 280 O LEU A 106 32.158 -8.803 -15.093 1.00 0.00 O ATOM 281 CB LEU A 106 29.401 -6.986 -15.320 1.00 0.00 C ATOM 282 CG LEU A 106 28.853 -5.779 -16.104 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.796 -5.065 -15.259 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.988 -4.805 -16.436 1.00 0.00 C ATOM 0 H LEU A 106 28.461 -8.209 -17.203 1.00 0.00 H new ATOM 0 HA LEU A 106 31.048 -7.240 -16.681 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.575 -7.576 -14.923 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.984 -6.639 -14.466 1.00 0.00 H new ATOM 0 HG LEU A 106 28.406 -6.130 -17.034 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.406 -4.210 -15.811 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.982 -5.755 -15.036 1.00 0.00 H new ATOM 0 HD13 LEU A 106 28.246 -4.721 -14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.588 -3.956 -16.990 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.446 -4.452 -15.512 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.738 -5.313 -17.042 1.00 0.00 H new ATOM 296 N VAL A 107 30.279 -10.043 -15.092 1.00 0.00 N ATOM 297 CA VAL A 107 30.875 -11.134 -14.331 1.00 0.00 C ATOM 298 C VAL A 107 31.960 -11.805 -15.171 1.00 0.00 C ATOM 299 O VAL A 107 32.999 -12.180 -14.648 1.00 0.00 O ATOM 300 CB VAL A 107 29.787 -12.135 -13.910 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.427 -13.460 -13.481 1.00 0.00 C ATOM 302 CG2 VAL A 107 29.001 -11.560 -12.728 1.00 0.00 C ATOM 0 H VAL A 107 29.302 -10.189 -15.345 1.00 0.00 H new ATOM 0 HA VAL A 107 31.337 -10.745 -13.424 1.00 0.00 H new ATOM 0 HB VAL A 107 29.122 -12.311 -14.755 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.647 -14.162 -13.185 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.993 -13.877 -14.314 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.096 -13.285 -12.639 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.228 -12.267 -12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.678 -11.384 -11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.537 -10.619 -13.023 1.00 0.00 H new ATOM 312 N GLN A 108 31.723 -11.949 -16.476 1.00 0.00 N ATOM 313 CA GLN A 108 32.700 -12.551 -17.370 1.00 0.00 C ATOM 314 C GLN A 108 33.895 -11.605 -17.552 1.00 0.00 C ATOM 315 O GLN A 108 35.022 -12.058 -17.734 1.00 0.00 O ATOM 316 CB GLN A 108 32.027 -12.854 -18.713 1.00 0.00 C ATOM 317 CG GLN A 108 32.988 -13.633 -19.616 1.00 0.00 C ATOM 318 CD GLN A 108 32.274 -14.131 -20.868 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.220 -15.332 -21.117 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.726 -13.206 -21.655 1.00 0.00 N ATOM 0 H GLN A 108 30.860 -11.655 -16.933 1.00 0.00 H new ATOM 0 HA GLN A 108 33.072 -13.483 -16.944 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.117 -13.432 -18.551 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.731 -11.924 -19.199 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.825 -12.995 -19.899 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.403 -14.479 -19.068 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.796 -12.219 -21.407 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.236 -13.485 -22.505 1.00 0.00 H new ATOM 329 N LYS A 109 33.636 -10.291 -17.507 1.00 0.00 N ATOM 330 CA LYS A 109 34.668 -9.282 -17.690 1.00 0.00 C ATOM 331 C LYS A 109 35.568 -9.208 -16.454 1.00 0.00 C ATOM 332 O LYS A 109 36.764 -9.473 -16.545 1.00 0.00 O ATOM 333 CB LYS A 109 33.995 -7.929 -17.964 1.00 0.00 C ATOM 334 CG LYS A 109 35.019 -6.935 -18.526 1.00 0.00 C ATOM 335 CD LYS A 109 34.461 -5.503 -18.461 1.00 0.00 C ATOM 336 CE LYS A 109 33.074 -5.421 -19.120 1.00 0.00 C ATOM 337 NZ LYS A 109 33.103 -5.900 -20.514 1.00 0.00 N ATOM 0 H LYS A 109 32.706 -9.907 -17.343 1.00 0.00 H new ATOM 0 HA LYS A 109 35.298 -9.547 -18.539 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.176 -8.058 -18.671 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.562 -7.536 -17.044 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.947 -6.998 -17.958 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.259 -7.193 -19.557 1.00 0.00 H new ATOM 0 HD2 LYS A 109 34.393 -5.182 -17.421 1.00 0.00 H new ATOM 0 HD3 LYS A 109 35.146 -4.819 -18.961 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.363 -6.015 -18.546 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.721 -4.390 -19.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 32.251 -5.572 -21.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 33.948 -5.527 -20.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.131 -6.940 -20.523 1.00 0.00 H new ATOM 351 N TYR A 110 34.992 -8.840 -15.300 1.00 0.00 N ATOM 352 CA TYR A 110 35.749 -8.715 -14.062 1.00 0.00 C ATOM 353 C TYR A 110 35.936 -10.089 -13.424 1.00 0.00 C ATOM 354 O TYR A 110 37.060 -10.560 -13.264 1.00 0.00 O ATOM 355 CB TYR A 110 35.007 -7.791 -13.088 1.00 0.00 C ATOM 356 CG TYR A 110 34.669 -6.425 -13.648 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.660 -5.641 -14.268 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.359 -5.929 -13.526 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.338 -4.365 -14.764 1.00 0.00 C ATOM 360 CE2 TYR A 110 33.041 -4.655 -14.018 1.00 0.00 C ATOM 361 CZ TYR A 110 34.027 -3.872 -14.636 1.00 0.00 C ATOM 362 OH TYR A 110 33.715 -2.631 -15.108 1.00 0.00 O ATOM 0 H TYR A 110 33.999 -8.625 -15.206 1.00 0.00 H new ATOM 0 HA TYR A 110 36.727 -8.289 -14.287 1.00 0.00 H new ATOM 0 HB2 TYR A 110 34.084 -8.280 -12.776 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.617 -7.662 -12.194 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.667 -6.019 -14.363 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.597 -6.530 -13.053 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.097 -3.764 -15.243 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.034 -4.276 -13.921 1.00 0.00 H new ATOM 0 HH TYR A 110 32.934 -2.285 -14.628 1.00 0.00 H new ATOM 372 N GLY A 111 34.817 -10.716 -13.051 1.00 0.00 N ATOM 373 CA GLY A 111 34.815 -12.006 -12.386 1.00 0.00 C ATOM 374 C GLY A 111 33.614 -12.069 -11.442 1.00 0.00 C ATOM 375 O GLY A 111 32.889 -11.081 -11.305 1.00 0.00 O ATOM 0 H GLY A 111 33.884 -10.333 -13.207 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.761 -12.810 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.741 -12.145 -11.829 1.00 0.00 H new ATOM 379 N PRO A 112 33.400 -13.219 -10.781 1.00 0.00 N ATOM 380 CA PRO A 112 32.325 -13.379 -9.824 1.00 0.00 C ATOM 381 C PRO A 112 32.492 -12.378 -8.677 1.00 0.00 C ATOM 382 O PRO A 112 33.539 -11.740 -8.554 1.00 0.00 O ATOM 383 CB PRO A 112 32.414 -14.828 -9.332 1.00 0.00 C ATOM 384 CG PRO A 112 33.631 -15.460 -10.022 1.00 0.00 C ATOM 385 CD PRO A 112 34.219 -14.396 -10.950 1.00 0.00 C ATOM 0 HA PRO A 112 31.347 -13.184 -10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.524 -14.862 -8.248 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.504 -15.375 -9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.369 -15.781 -9.286 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.338 -16.345 -10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.258 -14.188 -10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.207 -14.733 -11.986 1.00 0.00 H new ATOM 393 N LYS A 113 31.453 -12.239 -7.842 1.00 0.00 N ATOM 394 CA LYS A 113 31.463 -11.294 -6.729 1.00 0.00 C ATOM 395 C LYS A 113 31.546 -9.866 -7.284 1.00 0.00 C ATOM 396 O LYS A 113 31.019 -9.594 -8.362 1.00 0.00 O ATOM 397 CB LYS A 113 32.626 -11.600 -5.764 1.00 0.00 C ATOM 398 CG LYS A 113 32.644 -13.092 -5.414 1.00 0.00 C ATOM 399 CD LYS A 113 33.647 -13.339 -4.282 1.00 0.00 C ATOM 400 CE LYS A 113 33.695 -14.832 -3.938 1.00 0.00 C ATOM 401 NZ LYS A 113 34.312 -15.614 -5.026 1.00 0.00 N ATOM 0 H LYS A 113 30.590 -12.777 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 113 30.541 -11.392 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.573 -11.315 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.520 -11.007 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.649 -13.417 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.917 -13.679 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.637 -12.995 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.362 -12.764 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 113 34.260 -14.977 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 113 32.685 -15.197 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.516 -16.577 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.658 -15.661 -5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 35.197 -15.156 -5.323 1.00 0.00 H new ATOM 415 N ARG A 114 32.204 -8.958 -6.544 1.00 0.00 N ATOM 416 CA ARG A 114 32.350 -7.561 -6.956 1.00 0.00 C ATOM 417 C ARG A 114 30.981 -6.980 -7.309 1.00 0.00 C ATOM 418 O ARG A 114 30.821 -6.312 -8.333 1.00 0.00 O ATOM 419 CB ARG A 114 33.312 -7.467 -8.151 1.00 0.00 C ATOM 420 CG ARG A 114 34.699 -7.989 -7.757 1.00 0.00 C ATOM 421 CD ARG A 114 35.579 -8.103 -9.006 1.00 0.00 C ATOM 422 NE ARG A 114 35.733 -6.801 -9.675 1.00 0.00 N ATOM 423 CZ ARG A 114 36.664 -5.892 -9.327 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.434 -6.089 -8.248 1.00 0.00 N ATOM 425 NH2 ARG A 114 36.820 -4.785 -10.065 1.00 0.00 N ATOM 0 H ARG A 114 32.645 -9.174 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 114 32.768 -6.981 -6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.922 -8.046 -8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.387 -6.433 -8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.161 -7.315 -7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.609 -8.962 -7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.560 -8.489 -8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.139 -8.820 -9.699 1.00 0.00 H new ATOM 0 HE ARG A 114 35.101 -6.575 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.317 -6.931 -7.685 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.137 -5.397 -7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.235 -4.633 -10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.524 -4.094 -9.805 1.00 0.00 H new ATOM 439 N TRP A 115 29.993 -7.246 -6.455 1.00 0.00 N ATOM 440 CA TRP A 115 28.632 -6.799 -6.680 1.00 0.00 C ATOM 441 C TRP A 115 28.520 -5.284 -6.538 1.00 0.00 C ATOM 442 O TRP A 115 27.579 -4.692 -7.053 1.00 0.00 O ATOM 443 CB TRP A 115 27.714 -7.544 -5.718 1.00 0.00 C ATOM 444 CG TRP A 115 27.756 -9.023 -5.925 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.132 -9.940 -5.021 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.458 -9.772 -7.138 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.099 -11.205 -5.563 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.694 -11.158 -6.887 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.021 -9.421 -8.435 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.519 -12.134 -7.873 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.835 -10.401 -9.425 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.092 -11.749 -9.150 1.00 0.00 C ATOM 0 H TRP A 115 30.120 -7.776 -5.593 1.00 0.00 H new ATOM 0 HA TRP A 115 28.327 -7.027 -7.701 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.003 -7.315 -4.692 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.691 -7.190 -5.848 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.422 -9.716 -4.005 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.339 -12.059 -5.059 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.827 -8.385 -8.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.711 -13.174 -7.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.491 -10.111 -10.407 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.961 -12.492 -9.923 1.00 0.00 H new ATOM 463 N SER A 116 29.486 -4.651 -5.863 1.00 0.00 N ATOM 464 CA SER A 116 29.504 -3.203 -5.740 1.00 0.00 C ATOM 465 C SER A 116 29.768 -2.599 -7.121 1.00 0.00 C ATOM 466 O SER A 116 29.072 -1.681 -7.547 1.00 0.00 O ATOM 467 CB SER A 116 30.589 -2.787 -4.742 1.00 0.00 C ATOM 468 OG SER A 116 30.612 -1.380 -4.629 1.00 0.00 O ATOM 0 H SER A 116 30.260 -5.124 -5.397 1.00 0.00 H new ATOM 0 HA SER A 116 28.546 -2.839 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.394 -3.237 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.561 -3.152 -5.073 1.00 0.00 H new ATOM 0 HG SER A 116 31.305 -1.114 -3.989 1.00 0.00 H new ATOM 474 N VAL A 117 30.780 -3.133 -7.819 1.00 0.00 N ATOM 475 CA VAL A 117 31.144 -2.674 -9.151 1.00 0.00 C ATOM 476 C VAL A 117 29.974 -2.902 -10.111 1.00 0.00 C ATOM 477 O VAL A 117 29.591 -2.000 -10.854 1.00 0.00 O ATOM 478 CB VAL A 117 32.398 -3.437 -9.615 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.759 -3.041 -11.049 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.574 -3.107 -8.689 1.00 0.00 C ATOM 0 H VAL A 117 31.363 -3.893 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 117 31.366 -1.607 -9.136 1.00 0.00 H new ATOM 0 HB VAL A 117 32.190 -4.506 -9.581 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.648 -3.588 -11.365 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.929 -3.283 -11.713 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.958 -1.970 -11.092 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.460 -3.648 -9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.771 -2.035 -8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.328 -3.402 -7.669 1.00 0.00 H new ATOM 490 N ILE A 118 29.410 -4.113 -10.090 1.00 0.00 N ATOM 491 CA ILE A 118 28.298 -4.469 -10.961 1.00 0.00 C ATOM 492 C ILE A 118 27.085 -3.572 -10.671 1.00 0.00 C ATOM 493 O ILE A 118 26.423 -3.110 -11.600 1.00 0.00 O ATOM 494 CB ILE A 118 27.978 -5.962 -10.761 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.125 -6.798 -11.357 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.660 -6.325 -11.460 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.106 -8.216 -10.787 1.00 0.00 C ATOM 0 H ILE A 118 29.712 -4.866 -9.472 1.00 0.00 H new ATOM 0 HA ILE A 118 28.565 -4.308 -12.006 1.00 0.00 H new ATOM 0 HB ILE A 118 27.874 -6.170 -9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.030 -6.835 -12.442 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.081 -6.324 -11.136 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.448 -7.383 -11.309 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.849 -5.729 -11.040 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.746 -6.120 -12.527 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.924 -8.793 -11.219 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.224 -8.174 -9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.157 -8.693 -11.030 1.00 0.00 H new ATOM 509 N ALA A 119 26.798 -3.319 -9.387 1.00 0.00 N ATOM 510 CA ALA A 119 25.673 -2.474 -8.998 1.00 0.00 C ATOM 511 C ALA A 119 25.888 -1.042 -9.495 1.00 0.00 C ATOM 512 O ALA A 119 24.951 -0.409 -9.977 1.00 0.00 O ATOM 513 CB ALA A 119 25.519 -2.497 -7.477 1.00 0.00 C ATOM 0 H ALA A 119 27.334 -3.691 -8.602 1.00 0.00 H new ATOM 0 HA ALA A 119 24.760 -2.859 -9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.679 -1.866 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.337 -3.519 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.431 -2.122 -7.013 1.00 0.00 H new ATOM 519 N LYS A 120 27.124 -0.534 -9.378 1.00 0.00 N ATOM 520 CA LYS A 120 27.455 0.819 -9.819 1.00 0.00 C ATOM 521 C LYS A 120 27.156 0.986 -11.312 1.00 0.00 C ATOM 522 O LYS A 120 26.911 2.104 -11.772 1.00 0.00 O ATOM 523 CB LYS A 120 28.931 1.107 -9.525 1.00 0.00 C ATOM 524 CG LYS A 120 29.102 1.444 -8.037 1.00 0.00 C ATOM 525 CD LYS A 120 30.574 1.297 -7.619 1.00 0.00 C ATOM 526 CE LYS A 120 31.471 2.238 -8.435 1.00 0.00 C ATOM 527 NZ LYS A 120 31.083 3.648 -8.250 1.00 0.00 N ATOM 0 H LYS A 120 27.910 -1.047 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 120 26.840 1.534 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.540 0.241 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.280 1.937 -10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.764 2.463 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.479 0.784 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.679 1.518 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.896 0.266 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.510 2.103 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.408 1.978 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.829 4.266 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 30.192 3.832 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.954 3.842 -7.237 1.00 0.00 H new ATOM 541 N HIS A 121 27.170 -0.119 -12.069 1.00 0.00 N ATOM 542 CA HIS A 121 26.885 -0.081 -13.491 1.00 0.00 C ATOM 543 C HIS A 121 25.380 -0.193 -13.697 1.00 0.00 C ATOM 544 O HIS A 121 24.797 0.597 -14.441 1.00 0.00 O ATOM 545 CB HIS A 121 27.636 -1.217 -14.191 1.00 0.00 C ATOM 546 CG HIS A 121 29.124 -1.146 -13.956 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.788 0.046 -13.689 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.104 -2.104 -13.934 1.00 0.00 C ATOM 549 CE1 HIS A 121 31.089 -0.259 -13.528 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.352 -1.559 -13.668 1.00 0.00 N ATOM 0 H HIS A 121 27.378 -1.050 -11.709 1.00 0.00 H new ATOM 0 HA HIS A 121 27.222 0.861 -13.925 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.259 -2.175 -13.833 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.437 -1.176 -15.262 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.369 0.974 -13.627 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.926 -3.156 -14.103 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.847 0.478 -13.307 1.00 0.00 H new ATOM 558 N LEU A 122 24.747 -1.165 -13.026 1.00 0.00 N ATOM 559 CA LEU A 122 23.307 -1.344 -13.106 1.00 0.00 C ATOM 560 C LEU A 122 22.626 -0.346 -12.171 1.00 0.00 C ATOM 561 O LEU A 122 22.043 -0.733 -11.158 1.00 0.00 O ATOM 562 CB LEU A 122 22.933 -2.787 -12.732 1.00 0.00 C ATOM 563 CG LEU A 122 23.351 -3.760 -13.845 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.116 -5.194 -13.376 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.523 -3.507 -15.111 1.00 0.00 C ATOM 0 H LEU A 122 25.220 -1.837 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 122 22.969 -1.162 -14.126 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.421 -3.064 -11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.858 -2.858 -12.564 1.00 0.00 H new ATOM 0 HG LEU A 122 24.406 -3.606 -14.070 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.412 -5.887 -14.163 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.709 -5.386 -12.482 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.059 -5.334 -13.147 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.830 -4.203 -15.891 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.466 -3.653 -14.889 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.684 -2.485 -15.453 1.00 0.00 H new ATOM 577 N LYS A 123 22.706 0.944 -12.522 1.00 0.00 N ATOM 578 CA LYS A 123 22.114 2.009 -11.727 1.00 0.00 C ATOM 579 C LYS A 123 20.620 1.747 -11.551 1.00 0.00 C ATOM 580 O LYS A 123 19.858 1.798 -12.516 1.00 0.00 O ATOM 581 CB LYS A 123 22.364 3.352 -12.418 1.00 0.00 C ATOM 582 CG LYS A 123 23.862 3.672 -12.383 1.00 0.00 C ATOM 583 CD LYS A 123 24.144 4.918 -13.226 1.00 0.00 C ATOM 584 CE LYS A 123 25.624 5.301 -13.113 1.00 0.00 C ATOM 585 NZ LYS A 123 26.500 4.201 -13.559 1.00 0.00 N ATOM 0 H LYS A 123 23.182 1.270 -13.363 1.00 0.00 H new ATOM 0 HA LYS A 123 22.571 2.039 -10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 123 22.013 3.314 -13.449 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.801 4.141 -11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.185 3.836 -11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.433 2.826 -12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.887 4.728 -14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.519 5.745 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.818 6.189 -13.714 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.857 5.558 -12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 27.466 4.561 -13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 26.510 3.451 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 26.143 3.815 -14.456 1.00 0.00 H new ATOM 599 N GLY A 124 20.217 1.455 -10.310 1.00 0.00 N ATOM 600 CA GLY A 124 18.838 1.134 -9.980 1.00 0.00 C ATOM 601 C GLY A 124 18.824 -0.106 -9.095 1.00 0.00 C ATOM 602 O GLY A 124 18.053 -0.187 -8.141 1.00 0.00 O ATOM 0 H GLY A 124 20.846 1.437 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.368 1.972 -9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.263 0.956 -10.889 1.00 0.00 H new ATOM 606 N ARG A 125 19.696 -1.069 -9.419 1.00 0.00 N ATOM 607 CA ARG A 125 19.833 -2.294 -8.651 1.00 0.00 C ATOM 608 C ARG A 125 20.869 -2.085 -7.554 1.00 0.00 C ATOM 609 O ARG A 125 21.554 -1.062 -7.527 1.00 0.00 O ATOM 610 CB ARG A 125 20.279 -3.427 -9.583 1.00 0.00 C ATOM 611 CG ARG A 125 19.098 -3.921 -10.418 1.00 0.00 C ATOM 612 CD ARG A 125 18.415 -5.086 -9.692 1.00 0.00 C ATOM 613 NE ARG A 125 17.094 -5.384 -10.263 1.00 0.00 N ATOM 614 CZ ARG A 125 16.908 -5.823 -11.521 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.950 -6.059 -12.322 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.673 -6.026 -11.978 1.00 0.00 N ATOM 0 H ARG A 125 20.322 -1.012 -10.222 1.00 0.00 H new ATOM 0 HA ARG A 125 18.878 -2.557 -8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.075 -3.076 -10.239 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.688 -4.250 -8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.387 -3.111 -10.578 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.442 -4.242 -11.401 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.046 -5.973 -9.753 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.308 -4.843 -8.635 1.00 0.00 H new ATOM 0 HE ARG A 125 16.273 -5.251 -9.673 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.899 -5.907 -11.982 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.796 -6.392 -13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.870 -5.849 -11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.530 -6.359 -12.932 1.00 0.00 H new ATOM 630 N ILE A 126 20.989 -3.066 -6.658 1.00 0.00 N ATOM 631 CA ILE A 126 21.971 -3.028 -5.588 1.00 0.00 C ATOM 632 C ILE A 126 22.656 -4.388 -5.505 1.00 0.00 C ATOM 633 O ILE A 126 22.215 -5.352 -6.140 1.00 0.00 O ATOM 634 CB ILE A 126 21.304 -2.648 -4.255 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.096 -3.556 -3.985 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.850 -1.184 -4.309 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.678 -3.440 -2.516 1.00 0.00 C ATOM 0 H ILE A 126 20.407 -3.904 -6.659 1.00 0.00 H new ATOM 0 HA ILE A 126 22.721 -2.266 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 126 22.026 -2.777 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.266 -3.274 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.347 -4.590 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.377 -0.915 -3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.714 -0.541 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 126 20.136 -1.054 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.820 -4.086 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.507 -3.744 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.409 -2.407 -2.295 1.00 0.00 H new ATOM 649 N GLY A 127 23.739 -4.460 -4.730 1.00 0.00 N ATOM 650 CA GLY A 127 24.520 -5.677 -4.591 1.00 0.00 C ATOM 651 C GLY A 127 23.659 -6.863 -4.149 1.00 0.00 C ATOM 652 O GLY A 127 24.007 -8.004 -4.429 1.00 0.00 O ATOM 0 H GLY A 127 24.094 -3.675 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.999 -5.911 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.316 -5.516 -3.864 1.00 0.00 H new ATOM 656 N LYS A 128 22.542 -6.601 -3.458 1.00 0.00 N ATOM 657 CA LYS A 128 21.681 -7.659 -2.962 1.00 0.00 C ATOM 658 C LYS A 128 21.039 -8.393 -4.135 1.00 0.00 C ATOM 659 O LYS A 128 21.157 -9.611 -4.246 1.00 0.00 O ATOM 660 CB LYS A 128 20.614 -7.044 -2.048 1.00 0.00 C ATOM 661 CG LYS A 128 19.668 -8.133 -1.533 1.00 0.00 C ATOM 662 CD LYS A 128 18.518 -7.483 -0.755 1.00 0.00 C ATOM 663 CE LYS A 128 17.439 -8.526 -0.439 1.00 0.00 C ATOM 664 NZ LYS A 128 16.906 -9.137 -1.672 1.00 0.00 N ATOM 0 H LYS A 128 22.221 -5.659 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 128 22.263 -8.381 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.091 -6.539 -1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.048 -6.289 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.275 -8.713 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.210 -8.827 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.895 -7.047 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.088 -6.669 -1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.857 -9.302 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.628 -8.056 0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.873 -9.228 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.141 -8.535 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.328 -10.078 -1.803 1.00 0.00 H new ATOM 678 N GLN A 129 20.353 -7.646 -5.002 1.00 0.00 N ATOM 679 CA GLN A 129 19.660 -8.221 -6.139 1.00 0.00 C ATOM 680 C GLN A 129 20.656 -8.851 -7.110 1.00 0.00 C ATOM 681 O GLN A 129 20.426 -9.956 -7.592 1.00 0.00 O ATOM 682 CB GLN A 129 18.838 -7.132 -6.833 1.00 0.00 C ATOM 683 CG GLN A 129 17.442 -7.056 -6.209 1.00 0.00 C ATOM 684 CD GLN A 129 17.492 -6.582 -4.762 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.467 -7.391 -3.836 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.554 -5.267 -4.566 1.00 0.00 N ATOM 0 H GLN A 129 20.267 -6.632 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 129 18.989 -9.008 -5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.341 -6.169 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.758 -7.348 -7.898 1.00 0.00 H new ATOM 0 HG2 GLN A 129 16.820 -6.377 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 129 16.970 -8.038 -6.253 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.573 -4.633 -5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 129 17.583 -4.894 -3.617 1.00 0.00 H new ATOM 695 N CYS A 130 21.759 -8.151 -7.400 1.00 0.00 N ATOM 696 CA CYS A 130 22.769 -8.661 -8.321 1.00 0.00 C ATOM 697 C CYS A 130 23.331 -9.984 -7.797 1.00 0.00 C ATOM 698 O CYS A 130 23.450 -10.951 -8.550 1.00 0.00 O ATOM 699 CB CYS A 130 23.887 -7.628 -8.491 1.00 0.00 C ATOM 700 SG CYS A 130 23.201 -6.121 -9.227 1.00 0.00 S ATOM 0 H CYS A 130 21.970 -7.233 -7.009 1.00 0.00 H new ATOM 0 HA CYS A 130 22.312 -8.841 -9.294 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.339 -7.402 -7.525 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.676 -8.030 -9.126 1.00 0.00 H new ATOM 0 HG CYS A 130 22.619 -5.414 -8.305 1.00 0.00 H new ATOM 706 N ARG A 131 23.674 -10.023 -6.503 1.00 0.00 N ATOM 707 CA ARG A 131 24.219 -11.219 -5.879 1.00 0.00 C ATOM 708 C ARG A 131 23.202 -12.358 -5.953 1.00 0.00 C ATOM 709 O ARG A 131 23.526 -13.440 -6.431 1.00 0.00 O ATOM 710 CB ARG A 131 24.599 -10.889 -4.425 1.00 0.00 C ATOM 711 CG ARG A 131 25.254 -12.099 -3.740 1.00 0.00 C ATOM 712 CD ARG A 131 24.185 -13.018 -3.127 1.00 0.00 C ATOM 713 NE ARG A 131 24.578 -13.475 -1.785 1.00 0.00 N ATOM 714 CZ ARG A 131 25.583 -14.341 -1.560 1.00 0.00 C ATOM 715 NH1 ARG A 131 26.316 -14.807 -2.580 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.852 -14.739 -0.310 1.00 0.00 N ATOM 0 H ARG A 131 23.580 -9.229 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 131 25.114 -11.548 -6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.284 -10.041 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.709 -10.591 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.848 -12.656 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.937 -11.758 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.235 -12.486 -3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.028 -13.880 -3.776 1.00 0.00 H new ATOM 0 HE ARG A 131 24.061 -13.116 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.113 -14.505 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 131 27.077 -15.463 -2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.296 -14.386 0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 131 26.613 -15.395 -0.136 1.00 0.00 H new ATOM 730 N GLU A 132 21.976 -12.117 -5.480 1.00 0.00 N ATOM 731 CA GLU A 132 20.931 -13.133 -5.482 1.00 0.00 C ATOM 732 C GLU A 132 20.714 -13.682 -6.889 1.00 0.00 C ATOM 733 O GLU A 132 20.773 -14.889 -7.091 1.00 0.00 O ATOM 734 CB GLU A 132 19.637 -12.527 -4.937 1.00 0.00 C ATOM 735 CG GLU A 132 19.689 -12.506 -3.407 1.00 0.00 C ATOM 736 CD GLU A 132 18.698 -11.501 -2.830 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.774 -11.106 -3.573 1.00 0.00 O ATOM 738 OE2 GLU A 132 18.877 -11.138 -1.649 1.00 0.00 O ATOM 0 H GLU A 132 21.686 -11.220 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 132 21.238 -13.962 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.506 -11.515 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.780 -13.109 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 132 19.467 -13.501 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.698 -12.254 -3.079 1.00 0.00 H new ATOM 745 N ARG A 133 20.459 -12.797 -7.856 1.00 0.00 N ATOM 746 CA ARG A 133 20.200 -13.199 -9.235 1.00 0.00 C ATOM 747 C ARG A 133 21.221 -14.242 -9.702 1.00 0.00 C ATOM 748 O ARG A 133 20.860 -15.198 -10.385 1.00 0.00 O ATOM 749 CB ARG A 133 20.246 -11.951 -10.134 1.00 0.00 C ATOM 750 CG ARG A 133 19.857 -12.301 -11.580 1.00 0.00 C ATOM 751 CD ARG A 133 18.419 -12.827 -11.632 1.00 0.00 C ATOM 752 NE ARG A 133 17.927 -12.878 -13.014 1.00 0.00 N ATOM 753 CZ ARG A 133 16.759 -13.448 -13.362 1.00 0.00 C ATOM 754 NH1 ARG A 133 16.053 -14.138 -12.462 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.302 -13.324 -14.611 1.00 0.00 N ATOM 0 H ARG A 133 20.427 -11.789 -7.704 1.00 0.00 H new ATOM 0 HA ARG A 133 19.213 -13.657 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.568 -11.192 -9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.248 -11.522 -10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.952 -11.419 -12.213 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.541 -13.052 -11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.376 -13.822 -11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.771 -12.185 -11.035 1.00 0.00 H new ATOM 0 HE ARG A 133 18.499 -12.460 -13.748 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.399 -14.234 -11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 133 15.168 -14.569 -12.730 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.838 -12.797 -15.300 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.417 -13.756 -14.875 1.00 0.00 H new ATOM 769 N TRP A 134 22.493 -14.050 -9.337 1.00 0.00 N ATOM 770 CA TRP A 134 23.563 -14.941 -9.760 1.00 0.00 C ATOM 771 C TRP A 134 23.697 -16.158 -8.832 1.00 0.00 C ATOM 772 O TRP A 134 24.105 -17.227 -9.283 1.00 0.00 O ATOM 773 CB TRP A 134 24.867 -14.147 -9.801 1.00 0.00 C ATOM 774 CG TRP A 134 25.874 -14.669 -10.773 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.976 -15.372 -10.459 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.893 -14.547 -12.227 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.683 -15.705 -11.588 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.055 -15.220 -12.719 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.053 -13.938 -13.195 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.355 -15.294 -14.079 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.353 -14.017 -14.560 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.491 -14.703 -15.003 1.00 0.00 C ATOM 0 H TRP A 134 22.801 -13.278 -8.746 1.00 0.00 H new ATOM 0 HA TRP A 134 23.328 -15.329 -10.751 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.640 -13.111 -10.052 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.309 -14.144 -8.804 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.266 -15.639 -9.454 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.553 -16.238 -11.591 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.170 -13.406 -12.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.247 -15.803 -14.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.700 -13.544 -15.279 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.700 -14.775 -16.060 1.00 0.00 H new ATOM 793 N HIS A 135 23.368 -16.002 -7.538 1.00 0.00 N ATOM 794 CA HIS A 135 23.497 -17.089 -6.564 1.00 0.00 C ATOM 795 C HIS A 135 22.137 -17.748 -6.289 1.00 0.00 C ATOM 796 O HIS A 135 21.827 -18.096 -5.152 1.00 0.00 O ATOM 797 CB HIS A 135 24.120 -16.541 -5.278 1.00 0.00 C ATOM 798 CG HIS A 135 25.587 -16.232 -5.440 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.584 -17.124 -5.062 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.261 -15.145 -5.940 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.763 -16.535 -5.346 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.635 -15.321 -5.883 1.00 0.00 N ATOM 0 H HIS A 135 23.011 -15.131 -7.146 1.00 0.00 H new ATOM 0 HA HIS A 135 24.149 -17.861 -6.972 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.591 -15.636 -4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.990 -17.267 -4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.779 -14.261 -6.330 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.719 -17.001 -5.157 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.369 -14.678 -6.180 1.00 0.00 H new ATOM 810 N ASN A 136 21.343 -17.930 -7.346 1.00 0.00 N ATOM 811 CA ASN A 136 20.050 -18.609 -7.273 1.00 0.00 C ATOM 812 C ASN A 136 19.892 -19.401 -8.546 1.00 0.00 C ATOM 813 O ASN A 136 19.810 -20.627 -8.533 1.00 0.00 O ATOM 814 CB ASN A 136 18.911 -17.589 -7.156 1.00 0.00 C ATOM 815 CG ASN A 136 18.642 -17.228 -5.709 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.733 -17.771 -5.089 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.430 -16.311 -5.171 1.00 0.00 N ATOM 0 H ASN A 136 21.582 -17.607 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 136 20.011 -19.256 -6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.167 -16.689 -7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.006 -17.998 -7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.294 -16.028 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.173 -15.887 -5.727 1.00 0.00 H new ATOM 824 N HIS A 137 19.867 -18.664 -9.645 1.00 0.00 N ATOM 825 CA HIS A 137 19.787 -19.213 -10.974 1.00 0.00 C ATOM 826 C HIS A 137 20.850 -18.493 -11.812 1.00 0.00 C ATOM 827 O HIS A 137 21.822 -17.983 -11.253 1.00 0.00 O ATOM 828 CB HIS A 137 18.350 -19.035 -11.511 1.00 0.00 C ATOM 829 CG HIS A 137 17.652 -17.830 -10.936 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.530 -17.932 -10.121 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.898 -16.488 -11.032 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.177 -16.675 -9.787 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.974 -15.743 -10.311 1.00 0.00 N ATOM 0 H HIS A 137 19.903 -17.645 -9.629 1.00 0.00 H new ATOM 0 HA HIS A 137 19.988 -20.284 -11.006 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.382 -18.946 -12.597 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.769 -19.928 -11.282 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.064 -18.792 -9.832 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.711 -16.060 -11.599 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.331 -16.445 -9.156 1.00 0.00 H new ATOM 841 N LEU A 138 20.685 -18.449 -13.131 1.00 0.00 N ATOM 842 CA LEU A 138 21.662 -17.810 -14.006 1.00 0.00 C ATOM 843 C LEU A 138 23.024 -18.507 -13.802 1.00 0.00 C ATOM 844 O LEU A 138 23.062 -19.705 -13.529 1.00 0.00 O ATOM 845 CB LEU A 138 21.713 -16.290 -13.672 1.00 0.00 C ATOM 846 CG LEU A 138 21.501 -15.416 -14.925 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.555 -15.720 -15.990 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.102 -15.640 -15.504 1.00 0.00 C ATOM 0 H LEU A 138 19.883 -18.849 -13.618 1.00 0.00 H new ATOM 0 HA LEU A 138 21.389 -17.906 -15.057 1.00 0.00 H new ATOM 0 HB2 LEU A 138 20.947 -16.055 -12.932 1.00 0.00 H new ATOM 0 HB3 LEU A 138 22.676 -16.050 -13.221 1.00 0.00 H new ATOM 0 HG LEU A 138 21.601 -14.373 -14.625 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.383 -15.090 -16.863 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.548 -15.518 -15.587 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.487 -16.769 -16.280 1.00 0.00 H new ATOM 0 HD21 LEU A 138 19.970 -15.015 -16.387 1.00 0.00 H new ATOM 0 HD22 LEU A 138 19.986 -16.688 -15.780 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.353 -15.376 -14.758 1.00 0.00 H new ATOM 860 N ASN A 139 24.130 -17.759 -13.923 1.00 0.00 N ATOM 861 CA ASN A 139 25.471 -18.284 -13.695 1.00 0.00 C ATOM 862 C ASN A 139 25.797 -19.439 -14.650 1.00 0.00 C ATOM 863 O ASN A 139 25.854 -20.594 -14.229 1.00 0.00 O ATOM 864 CB ASN A 139 25.599 -18.719 -12.226 1.00 0.00 C ATOM 865 CG ASN A 139 27.058 -18.954 -11.840 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.881 -19.304 -12.680 1.00 0.00 O ATOM 867 ND2 ASN A 139 27.376 -18.759 -10.561 1.00 0.00 N ATOM 0 H ASN A 139 24.113 -16.773 -14.182 1.00 0.00 H new ATOM 0 HA ASN A 139 26.197 -17.497 -13.900 1.00 0.00 H new ATOM 0 HB2 ASN A 139 25.169 -17.954 -11.580 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.026 -19.632 -12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 139 28.336 -18.901 -10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 139 26.659 -18.468 -9.896 1.00 0.00 H new ATOM 874 N PRO A 140 26.035 -19.131 -15.940 1.00 0.00 N ATOM 875 CA PRO A 140 26.433 -20.119 -16.911 1.00 0.00 C ATOM 876 C PRO A 140 27.896 -20.485 -16.664 1.00 0.00 C ATOM 877 O PRO A 140 28.205 -21.633 -16.354 1.00 0.00 O ATOM 878 CB PRO A 140 26.247 -19.450 -18.275 1.00 0.00 C ATOM 879 CG PRO A 140 26.091 -17.948 -18.002 1.00 0.00 C ATOM 880 CD PRO A 140 25.933 -17.794 -16.487 1.00 0.00 C ATOM 0 HA PRO A 140 25.850 -21.038 -16.853 1.00 0.00 H new ATOM 0 HB2 PRO A 140 27.104 -19.641 -18.921 1.00 0.00 H new ATOM 0 HB3 PRO A 140 25.369 -19.845 -18.785 1.00 0.00 H new ATOM 0 HG2 PRO A 140 26.961 -17.397 -18.359 1.00 0.00 H new ATOM 0 HG3 PRO A 140 25.223 -17.547 -18.525 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.707 -17.144 -16.078 1.00 0.00 H new ATOM 0 HD3 PRO A 140 24.973 -17.342 -16.238 1.00 0.00 H new ATOM 888 N GLU A 141 28.785 -19.477 -16.801 1.00 0.00 N ATOM 889 CA GLU A 141 30.225 -19.624 -16.586 1.00 0.00 C ATOM 890 C GLU A 141 30.720 -20.981 -17.097 1.00 0.00 C ATOM 891 O GLU A 141 31.276 -21.772 -16.346 1.00 0.00 O ATOM 892 CB GLU A 141 30.542 -19.436 -15.094 1.00 0.00 C ATOM 893 CG GLU A 141 30.180 -18.005 -14.662 1.00 0.00 C ATOM 894 CD GLU A 141 30.660 -17.715 -13.239 1.00 0.00 C ATOM 895 OE1 GLU A 141 31.807 -18.107 -12.933 1.00 0.00 O ATOM 896 OE2 GLU A 141 29.871 -17.102 -12.484 1.00 0.00 O ATOM 0 H GLU A 141 28.511 -18.531 -17.067 1.00 0.00 H new ATOM 0 HA GLU A 141 30.751 -18.857 -17.154 1.00 0.00 H new ATOM 0 HB2 GLU A 141 29.982 -20.158 -14.500 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.600 -19.625 -14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 141 30.629 -17.290 -15.352 1.00 0.00 H new ATOM 0 HG3 GLU A 141 29.100 -17.868 -14.719 1.00 0.00 H new HETATM 903 N NH2 A 142 30.515 -21.245 -18.383 1.00 0.00 N TER 906 NH2 A 142