USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=9 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 110 TYR OH : rot -148:sc= 1.28 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.777 K(o=2.1,f=-2.2) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0979) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.0472 (180deg=-0.344) USER MOD Single : A 101 GLN : amide:sc= 0.376 K(o=0.38,f=-5.1!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ -105:sc= 1.22 (180deg=0.48) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -169:sc= 1.23 (180deg=0.936) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0.422 K(o=0.42,f=-7.2!) USER MOD Single : A 130 CYS SG : rot 77:sc= 0.0494 USER MOD Single : A 135 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.67) USER MOD Single : A 136 ASN : amide:sc= 0.314 X(o=0.31,f=-0.17) USER MOD Single : A 137 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=-0.44) USER MOD Single : A 139 ASN : amide:sc= -0.361 K(o=-0.36,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 14.592 -11.564 -1.871 1.00 0.00 N ATOM 2 CA LEU A 90 14.650 -10.094 -1.776 1.00 0.00 C ATOM 3 C LEU A 90 13.676 -9.469 -2.774 1.00 0.00 C ATOM 4 O LEU A 90 13.355 -10.082 -3.790 1.00 0.00 O ATOM 5 CB LEU A 90 16.089 -9.615 -2.036 1.00 0.00 C ATOM 6 CG LEU A 90 16.246 -8.113 -1.736 1.00 0.00 C ATOM 7 CD1 LEU A 90 16.042 -7.842 -0.240 1.00 0.00 C ATOM 8 CD2 LEU A 90 17.653 -7.676 -2.139 1.00 0.00 C ATOM 0 HA LEU A 90 14.358 -9.781 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.781 -10.185 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.356 -9.810 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 90 15.498 -7.554 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.156 -6.776 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.042 -8.160 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.783 -8.398 0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.777 -6.613 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.388 -8.245 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.799 -7.857 -3.204 1.00 0.00 H new ATOM 22 N ILE A 91 13.207 -8.249 -2.481 1.00 0.00 N ATOM 23 CA ILE A 91 12.289 -7.539 -3.357 1.00 0.00 C ATOM 24 C ILE A 91 13.011 -7.174 -4.654 1.00 0.00 C ATOM 25 O ILE A 91 14.128 -6.660 -4.620 1.00 0.00 O ATOM 26 CB ILE A 91 11.777 -6.272 -2.649 1.00 0.00 C ATOM 27 CG1 ILE A 91 11.108 -6.627 -1.303 1.00 0.00 C ATOM 28 CG2 ILE A 91 10.777 -5.542 -3.556 1.00 0.00 C ATOM 29 CD1 ILE A 91 10.024 -7.697 -1.485 1.00 0.00 C ATOM 0 H ILE A 91 13.456 -7.737 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 91 11.435 -8.174 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 91 12.626 -5.620 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.862 -6.986 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.668 -5.731 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.416 -4.645 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.268 -5.262 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.935 -6.200 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.572 -7.925 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.258 -7.326 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.471 -8.601 -1.899 1.00 0.00 H new ATOM 41 N LYS A 92 12.366 -7.444 -5.795 1.00 0.00 N ATOM 42 CA LYS A 92 12.937 -7.158 -7.101 1.00 0.00 C ATOM 43 C LYS A 92 11.843 -7.246 -8.160 1.00 0.00 C ATOM 44 O LYS A 92 10.887 -8.006 -7.998 1.00 0.00 O ATOM 45 CB LYS A 92 14.065 -8.160 -7.403 1.00 0.00 C ATOM 46 CG LYS A 92 13.553 -9.600 -7.264 1.00 0.00 C ATOM 47 CD LYS A 92 14.694 -10.581 -7.552 1.00 0.00 C ATOM 48 CE LYS A 92 14.378 -11.945 -6.929 1.00 0.00 C ATOM 49 NZ LYS A 92 13.103 -12.484 -7.434 1.00 0.00 N ATOM 0 H LYS A 92 11.438 -7.865 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 92 13.356 -6.152 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.444 -7.998 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.898 -7.996 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.165 -9.763 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.729 -9.772 -7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.832 -10.686 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.629 -10.194 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.184 -12.644 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.330 -11.849 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.022 -13.487 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.312 -11.953 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.074 -12.393 -8.470 1.00 0.00 H new ATOM 63 N GLY A 93 11.982 -6.477 -9.248 1.00 0.00 N ATOM 64 CA GLY A 93 11.022 -6.509 -10.331 1.00 0.00 C ATOM 65 C GLY A 93 11.382 -7.648 -11.277 1.00 0.00 C ATOM 66 O GLY A 93 12.418 -8.294 -11.097 1.00 0.00 O ATOM 0 H GLY A 93 12.756 -5.828 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.015 -6.650 -9.938 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.026 -5.559 -10.866 1.00 0.00 H new ATOM 70 N PRO A 94 10.541 -7.899 -12.288 1.00 0.00 N ATOM 71 CA PRO A 94 10.787 -8.936 -13.260 1.00 0.00 C ATOM 72 C PRO A 94 12.061 -8.614 -14.031 1.00 0.00 C ATOM 73 O PRO A 94 12.049 -7.780 -14.936 1.00 0.00 O ATOM 74 CB PRO A 94 9.557 -8.954 -14.170 1.00 0.00 C ATOM 75 CG PRO A 94 8.733 -7.715 -13.808 1.00 0.00 C ATOM 76 CD PRO A 94 9.320 -7.160 -12.513 1.00 0.00 C ATOM 0 HA PRO A 94 10.934 -9.915 -12.805 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.850 -8.932 -15.220 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.976 -9.864 -14.020 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.781 -6.972 -14.604 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.682 -7.974 -13.677 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.519 -6.092 -12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.626 -7.288 -11.682 1.00 0.00 H new ATOM 84 N TRP A 95 13.162 -9.273 -13.660 1.00 0.00 N ATOM 85 CA TRP A 95 14.446 -9.057 -14.300 1.00 0.00 C ATOM 86 C TRP A 95 14.313 -9.251 -15.801 1.00 0.00 C ATOM 87 O TRP A 95 13.730 -10.235 -16.258 1.00 0.00 O ATOM 88 CB TRP A 95 15.468 -10.024 -13.718 1.00 0.00 C ATOM 89 CG TRP A 95 16.214 -9.492 -12.541 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.724 -9.352 -11.298 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.588 -9.012 -12.473 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.676 -8.834 -10.451 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.860 -8.598 -11.131 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.640 -8.882 -13.408 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.100 -8.083 -10.743 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.890 -8.360 -13.021 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.119 -7.959 -11.694 1.00 0.00 C ATOM 0 H TRP A 95 13.181 -9.966 -12.911 1.00 0.00 H new ATOM 0 HA TRP A 95 14.783 -8.037 -14.116 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.958 -10.942 -13.426 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.183 -10.291 -14.496 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.718 -9.611 -11.003 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.530 -8.649 -9.459 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.484 -9.187 -14.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.270 -7.784 -9.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.680 -8.267 -13.752 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.079 -7.556 -11.409 1.00 0.00 H new ATOM 108 N THR A 96 14.851 -8.302 -16.563 1.00 0.00 N ATOM 109 CA THR A 96 14.771 -8.335 -18.007 1.00 0.00 C ATOM 110 C THR A 96 15.942 -9.146 -18.561 1.00 0.00 C ATOM 111 O THR A 96 17.005 -9.210 -17.942 1.00 0.00 O ATOM 112 CB THR A 96 14.768 -6.893 -18.544 1.00 0.00 C ATOM 113 OG1 THR A 96 16.091 -6.411 -18.637 1.00 0.00 O ATOM 114 CG2 THR A 96 13.957 -5.984 -17.601 1.00 0.00 C ATOM 0 H THR A 96 15.351 -7.495 -16.191 1.00 0.00 H new ATOM 0 HA THR A 96 13.849 -8.818 -18.330 1.00 0.00 H new ATOM 0 HB THR A 96 14.311 -6.887 -19.534 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.081 -5.493 -18.981 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.959 -4.965 -17.987 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.931 -6.347 -17.540 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.406 -5.997 -16.608 1.00 0.00 H new ATOM 122 N LYS A 97 15.743 -9.772 -19.727 1.00 0.00 N ATOM 123 CA LYS A 97 16.774 -10.589 -20.354 1.00 0.00 C ATOM 124 C LYS A 97 18.038 -9.757 -20.581 1.00 0.00 C ATOM 125 O LYS A 97 19.146 -10.252 -20.398 1.00 0.00 O ATOM 126 CB LYS A 97 16.238 -11.146 -21.678 1.00 0.00 C ATOM 127 CG LYS A 97 17.210 -12.196 -22.234 1.00 0.00 C ATOM 128 CD LYS A 97 16.768 -12.646 -23.637 1.00 0.00 C ATOM 129 CE LYS A 97 15.370 -13.283 -23.599 1.00 0.00 C ATOM 130 NZ LYS A 97 15.302 -14.386 -22.621 1.00 0.00 N ATOM 0 H LYS A 97 14.871 -9.724 -20.253 1.00 0.00 H new ATOM 0 HA LYS A 97 17.034 -11.422 -19.700 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.256 -11.593 -21.524 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.111 -10.338 -22.398 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.217 -11.781 -22.279 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.249 -13.056 -21.565 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.763 -11.790 -24.312 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.487 -13.362 -24.036 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.630 -12.524 -23.344 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.113 -13.658 -24.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.438 -14.942 -22.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.134 -15.000 -22.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.286 -13.995 -21.657 1.00 0.00 H new ATOM 144 N GLU A 98 17.864 -8.493 -20.980 1.00 0.00 N ATOM 145 CA GLU A 98 18.982 -7.597 -21.231 1.00 0.00 C ATOM 146 C GLU A 98 19.752 -7.356 -19.933 1.00 0.00 C ATOM 147 O GLU A 98 20.983 -7.374 -19.925 1.00 0.00 O ATOM 148 CB GLU A 98 18.448 -6.278 -21.808 1.00 0.00 C ATOM 149 CG GLU A 98 19.611 -5.382 -22.254 1.00 0.00 C ATOM 150 CD GLU A 98 20.409 -6.032 -23.380 1.00 0.00 C ATOM 151 OE1 GLU A 98 19.786 -6.321 -24.423 1.00 0.00 O ATOM 152 OE2 GLU A 98 21.627 -6.227 -23.174 1.00 0.00 O ATOM 0 H GLU A 98 16.949 -8.071 -21.135 1.00 0.00 H new ATOM 0 HA GLU A 98 19.666 -8.044 -21.952 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.792 -6.483 -22.654 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.849 -5.761 -21.058 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.224 -4.419 -22.588 1.00 0.00 H new ATOM 0 HG3 GLU A 98 20.267 -5.185 -21.406 1.00 0.00 H new ATOM 159 N GLU A 99 19.024 -7.134 -18.832 1.00 0.00 N ATOM 160 CA GLU A 99 19.642 -6.902 -17.540 1.00 0.00 C ATOM 161 C GLU A 99 20.442 -8.139 -17.128 1.00 0.00 C ATOM 162 O GLU A 99 21.596 -8.026 -16.721 1.00 0.00 O ATOM 163 CB GLU A 99 18.559 -6.579 -16.511 1.00 0.00 C ATOM 164 CG GLU A 99 19.184 -5.841 -15.331 1.00 0.00 C ATOM 165 CD GLU A 99 18.190 -5.676 -14.192 1.00 0.00 C ATOM 166 OE1 GLU A 99 17.037 -6.141 -14.353 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.599 -5.089 -13.176 1.00 0.00 O ATOM 0 H GLU A 99 18.004 -7.112 -18.820 1.00 0.00 H new ATOM 0 HA GLU A 99 20.326 -6.055 -17.598 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.781 -5.966 -16.966 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.082 -7.497 -16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.057 -6.390 -14.978 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.533 -4.861 -15.656 1.00 0.00 H new ATOM 174 N ASP A 100 19.825 -9.321 -17.248 1.00 0.00 N ATOM 175 CA ASP A 100 20.490 -10.575 -16.925 1.00 0.00 C ATOM 176 C ASP A 100 21.763 -10.703 -17.760 1.00 0.00 C ATOM 177 O ASP A 100 22.822 -11.049 -17.235 1.00 0.00 O ATOM 178 CB ASP A 100 19.536 -11.744 -17.208 1.00 0.00 C ATOM 179 CG ASP A 100 18.777 -12.151 -15.958 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.446 -12.560 -14.985 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.535 -12.050 -15.995 1.00 0.00 O ATOM 0 H ASP A 100 18.863 -9.428 -17.568 1.00 0.00 H new ATOM 0 HA ASP A 100 20.761 -10.593 -15.869 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.830 -11.459 -17.988 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.102 -12.595 -17.586 1.00 0.00 H new ATOM 186 N GLN A 101 21.656 -10.415 -19.064 1.00 0.00 N ATOM 187 CA GLN A 101 22.792 -10.478 -19.969 1.00 0.00 C ATOM 188 C GLN A 101 23.904 -9.557 -19.465 1.00 0.00 C ATOM 189 O GLN A 101 25.082 -9.896 -19.565 1.00 0.00 O ATOM 190 CB GLN A 101 22.337 -10.080 -21.382 1.00 0.00 C ATOM 191 CG GLN A 101 23.379 -10.516 -22.423 1.00 0.00 C ATOM 192 CD GLN A 101 24.368 -9.396 -22.732 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.993 -8.369 -23.290 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.634 -9.595 -22.372 1.00 0.00 N ATOM 0 H GLN A 101 20.783 -10.135 -19.511 1.00 0.00 H new ATOM 0 HA GLN A 101 23.185 -11.494 -20.006 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.375 -10.542 -21.605 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.192 -9.001 -21.434 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.920 -11.388 -22.054 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.873 -10.819 -23.340 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.902 -10.464 -21.910 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.336 -8.878 -22.558 1.00 0.00 H new ATOM 203 N ARG A 102 23.530 -8.395 -18.915 1.00 0.00 N ATOM 204 CA ARG A 102 24.500 -7.450 -18.392 1.00 0.00 C ATOM 205 C ARG A 102 25.272 -8.084 -17.234 1.00 0.00 C ATOM 206 O ARG A 102 26.491 -7.994 -17.195 1.00 0.00 O ATOM 207 CB ARG A 102 23.789 -6.167 -17.940 1.00 0.00 C ATOM 208 CG ARG A 102 24.796 -5.009 -17.841 1.00 0.00 C ATOM 209 CD ARG A 102 24.823 -4.199 -19.147 1.00 0.00 C ATOM 210 NE ARG A 102 25.419 -4.975 -20.251 1.00 0.00 N ATOM 211 CZ ARG A 102 24.704 -5.589 -21.219 1.00 0.00 C ATOM 212 NH1 ARG A 102 23.365 -5.529 -21.235 1.00 0.00 N ATOM 213 NH2 ARG A 102 25.345 -6.269 -22.171 1.00 0.00 N ATOM 0 H ARG A 102 22.559 -8.095 -18.825 1.00 0.00 H new ATOM 0 HA ARG A 102 25.211 -7.190 -19.176 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.999 -5.912 -18.646 1.00 0.00 H new ATOM 0 HB3 ARG A 102 23.312 -6.328 -16.973 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.528 -4.358 -17.009 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.791 -5.402 -17.631 1.00 0.00 H new ATOM 0 HD2 ARG A 102 23.808 -3.904 -19.414 1.00 0.00 H new ATOM 0 HD3 ARG A 102 25.393 -3.282 -18.996 1.00 0.00 H new ATOM 0 HE ARG A 102 26.435 -5.053 -20.286 1.00 0.00 H new ATOM 0 HH11 ARG A 102 22.869 -5.013 -20.508 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.842 -5.999 -21.974 1.00 0.00 H new ATOM 0 HH21 ARG A 102 26.364 -6.321 -22.163 1.00 0.00 H new ATOM 0 HH22 ARG A 102 24.816 -6.737 -22.907 1.00 0.00 H new ATOM 227 N VAL A 103 24.570 -8.729 -16.292 1.00 0.00 N ATOM 228 CA VAL A 103 25.235 -9.372 -15.160 1.00 0.00 C ATOM 229 C VAL A 103 26.232 -10.406 -15.682 1.00 0.00 C ATOM 230 O VAL A 103 27.378 -10.436 -15.239 1.00 0.00 O ATOM 231 CB VAL A 103 24.202 -10.026 -14.231 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.922 -10.744 -13.084 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.284 -8.956 -13.644 1.00 0.00 C ATOM 0 H VAL A 103 23.554 -8.817 -16.294 1.00 0.00 H new ATOM 0 HA VAL A 103 25.773 -8.621 -14.581 1.00 0.00 H new ATOM 0 HB VAL A 103 23.613 -10.742 -14.805 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.187 -11.207 -12.426 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.579 -11.512 -13.491 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.513 -10.024 -12.518 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.553 -9.425 -12.986 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.877 -8.240 -13.076 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.766 -8.438 -14.451 1.00 0.00 H new ATOM 243 N ILE A 104 25.793 -11.247 -16.630 1.00 0.00 N ATOM 244 CA ILE A 104 26.657 -12.260 -17.226 1.00 0.00 C ATOM 245 C ILE A 104 27.919 -11.590 -17.780 1.00 0.00 C ATOM 246 O ILE A 104 29.034 -12.018 -17.485 1.00 0.00 O ATOM 247 CB ILE A 104 25.893 -12.992 -18.347 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.759 -13.840 -17.755 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.856 -13.897 -19.131 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.883 -14.403 -18.880 1.00 0.00 C ATOM 0 H ILE A 104 24.841 -11.240 -16.997 1.00 0.00 H new ATOM 0 HA ILE A 104 26.951 -12.989 -16.471 1.00 0.00 H new ATOM 0 HB ILE A 104 25.465 -12.248 -19.019 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.175 -14.656 -17.164 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.154 -13.234 -17.081 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.310 -14.411 -19.922 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.647 -13.291 -19.572 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.295 -14.632 -18.456 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.081 -15.003 -18.451 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.454 -13.581 -19.453 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.490 -15.025 -19.537 1.00 0.00 H new ATOM 262 N GLU A 105 27.728 -10.539 -18.586 1.00 0.00 N ATOM 263 CA GLU A 105 28.827 -9.809 -19.202 1.00 0.00 C ATOM 264 C GLU A 105 29.797 -9.295 -18.138 1.00 0.00 C ATOM 265 O GLU A 105 30.991 -9.560 -18.209 1.00 0.00 O ATOM 266 CB GLU A 105 28.248 -8.636 -20.006 1.00 0.00 C ATOM 267 CG GLU A 105 29.356 -7.921 -20.792 1.00 0.00 C ATOM 268 CD GLU A 105 29.050 -6.433 -20.928 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.903 -6.120 -21.321 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.970 -5.635 -20.635 1.00 0.00 O ATOM 0 H GLU A 105 26.805 -10.176 -18.825 1.00 0.00 H new ATOM 0 HA GLU A 105 29.380 -10.475 -19.864 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.485 -9.001 -20.693 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.760 -7.932 -19.332 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.312 -8.055 -20.286 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.453 -8.369 -21.781 1.00 0.00 H new ATOM 277 N LEU A 106 29.279 -8.544 -17.166 1.00 0.00 N ATOM 278 CA LEU A 106 30.099 -7.920 -16.139 1.00 0.00 C ATOM 279 C LEU A 106 30.845 -8.962 -15.299 1.00 0.00 C ATOM 280 O LEU A 106 31.996 -8.733 -14.933 1.00 0.00 O ATOM 281 CB LEU A 106 29.213 -7.033 -15.258 1.00 0.00 C ATOM 282 CG LEU A 106 28.617 -5.881 -16.090 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.598 -5.119 -15.240 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.726 -4.926 -16.545 1.00 0.00 C ATOM 0 H LEU A 106 28.281 -8.354 -17.072 1.00 0.00 H new ATOM 0 HA LEU A 106 30.858 -7.306 -16.623 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.411 -7.628 -14.821 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.798 -6.629 -14.431 1.00 0.00 H new ATOM 0 HG LEU A 106 28.126 -6.293 -16.972 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.174 -4.303 -15.825 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.802 -5.797 -14.932 1.00 0.00 H new ATOM 0 HD13 LEU A 106 28.092 -4.714 -14.357 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.291 -4.117 -17.132 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.230 -4.511 -15.672 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.447 -5.470 -17.155 1.00 0.00 H new ATOM 296 N VAL A 107 30.211 -10.101 -14.987 1.00 0.00 N ATOM 297 CA VAL A 107 30.859 -11.133 -14.196 1.00 0.00 C ATOM 298 C VAL A 107 31.952 -11.800 -15.032 1.00 0.00 C ATOM 299 O VAL A 107 33.010 -12.126 -14.514 1.00 0.00 O ATOM 300 CB VAL A 107 29.811 -12.140 -13.704 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.486 -13.437 -13.270 1.00 0.00 C ATOM 302 CG2 VAL A 107 29.075 -11.549 -12.501 1.00 0.00 C ATOM 0 H VAL A 107 29.257 -10.322 -15.272 1.00 0.00 H new ATOM 0 HA VAL A 107 31.332 -10.697 -13.316 1.00 0.00 H new ATOM 0 HB VAL A 107 29.114 -12.348 -14.516 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.730 -14.142 -12.923 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.024 -13.868 -14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.187 -13.230 -12.461 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.328 -12.260 -12.146 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.788 -11.343 -11.703 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.583 -10.622 -12.795 1.00 0.00 H new ATOM 312 N GLN A 108 31.702 -11.991 -16.330 1.00 0.00 N ATOM 313 CA GLN A 108 32.691 -12.576 -17.222 1.00 0.00 C ATOM 314 C GLN A 108 33.838 -11.581 -17.442 1.00 0.00 C ATOM 315 O GLN A 108 34.986 -11.981 -17.625 1.00 0.00 O ATOM 316 CB GLN A 108 32.014 -12.938 -18.549 1.00 0.00 C ATOM 317 CG GLN A 108 33.015 -13.636 -19.476 1.00 0.00 C ATOM 318 CD GLN A 108 32.322 -14.155 -20.731 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.297 -15.357 -20.977 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.759 -13.245 -21.527 1.00 0.00 N ATOM 0 H GLN A 108 30.821 -11.747 -16.781 1.00 0.00 H new ATOM 0 HA GLN A 108 33.107 -13.482 -16.782 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.160 -13.590 -18.365 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.629 -12.038 -19.028 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.806 -12.940 -19.754 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.489 -14.464 -18.949 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.804 -12.256 -21.283 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.283 -13.538 -22.380 1.00 0.00 H new ATOM 329 N LYS A 109 33.513 -10.282 -17.426 1.00 0.00 N ATOM 330 CA LYS A 109 34.483 -9.222 -17.646 1.00 0.00 C ATOM 331 C LYS A 109 35.407 -9.076 -16.434 1.00 0.00 C ATOM 332 O LYS A 109 36.619 -9.232 -16.561 1.00 0.00 O ATOM 333 CB LYS A 109 33.721 -7.919 -17.922 1.00 0.00 C ATOM 334 CG LYS A 109 34.690 -6.811 -18.348 1.00 0.00 C ATOM 335 CD LYS A 109 33.893 -5.590 -18.826 1.00 0.00 C ATOM 336 CE LYS A 109 33.511 -5.761 -20.302 1.00 0.00 C ATOM 337 NZ LYS A 109 32.499 -4.769 -20.710 1.00 0.00 N ATOM 0 H LYS A 109 32.565 -9.944 -17.259 1.00 0.00 H new ATOM 0 HA LYS A 109 35.112 -9.464 -18.503 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.980 -8.083 -18.704 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.178 -7.612 -17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.333 -6.534 -17.512 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.341 -7.169 -19.146 1.00 0.00 H new ATOM 0 HD2 LYS A 109 32.995 -5.471 -18.220 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.486 -4.685 -18.697 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.399 -5.655 -20.925 1.00 0.00 H new ATOM 0 HE3 LYS A 109 33.125 -6.767 -20.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 31.572 -5.233 -20.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 32.446 -4.014 -19.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 32.765 -4.360 -21.629 1.00 0.00 H new ATOM 351 N TYR A 110 34.833 -8.766 -15.262 1.00 0.00 N ATOM 352 CA TYR A 110 35.612 -8.570 -14.045 1.00 0.00 C ATOM 353 C TYR A 110 35.843 -9.907 -13.344 1.00 0.00 C ATOM 354 O TYR A 110 36.985 -10.329 -13.170 1.00 0.00 O ATOM 355 CB TYR A 110 34.875 -7.603 -13.111 1.00 0.00 C ATOM 356 CG TYR A 110 34.434 -6.315 -13.776 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.316 -5.603 -14.612 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.138 -5.822 -13.544 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.898 -4.405 -15.215 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.725 -4.624 -14.144 1.00 0.00 C ATOM 361 CZ TYR A 110 33.603 -3.914 -14.979 1.00 0.00 C ATOM 362 OH TYR A 110 33.199 -2.748 -15.558 1.00 0.00 O ATOM 0 H TYR A 110 33.828 -8.647 -15.138 1.00 0.00 H new ATOM 0 HA TYR A 110 36.581 -8.145 -14.307 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.999 -8.107 -12.702 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.525 -7.361 -12.270 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.313 -5.978 -14.789 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.460 -6.366 -12.903 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.572 -3.861 -15.860 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.729 -4.246 -13.964 1.00 0.00 H new ATOM 0 HH TYR A 110 32.568 -2.290 -14.965 1.00 0.00 H new ATOM 372 N GLY A 111 34.751 -10.561 -12.935 1.00 0.00 N ATOM 373 CA GLY A 111 34.816 -11.828 -12.226 1.00 0.00 C ATOM 374 C GLY A 111 33.674 -11.906 -11.212 1.00 0.00 C ATOM 375 O GLY A 111 32.887 -10.965 -11.094 1.00 0.00 O ATOM 0 H GLY A 111 33.802 -10.221 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.746 -12.656 -12.932 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.775 -11.923 -11.717 1.00 0.00 H new ATOM 379 N PRO A 112 33.590 -13.026 -10.470 1.00 0.00 N ATOM 380 CA PRO A 112 32.593 -13.217 -9.436 1.00 0.00 C ATOM 381 C PRO A 112 32.699 -12.110 -8.388 1.00 0.00 C ATOM 382 O PRO A 112 33.693 -11.382 -8.345 1.00 0.00 O ATOM 383 CB PRO A 112 32.882 -14.593 -8.824 1.00 0.00 C ATOM 384 CG PRO A 112 34.119 -15.148 -9.540 1.00 0.00 C ATOM 385 CD PRO A 112 34.491 -14.140 -10.627 1.00 0.00 C ATOM 0 HA PRO A 112 31.579 -13.173 -9.834 1.00 0.00 H new ATOM 0 HB2 PRO A 112 33.062 -14.509 -7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 112 32.029 -15.260 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.943 -15.282 -8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.908 -16.125 -9.975 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.528 -13.820 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.393 -14.583 -11.618 1.00 0.00 H new ATOM 393 N LYS A 113 31.668 -11.985 -7.543 1.00 0.00 N ATOM 394 CA LYS A 113 31.623 -10.955 -6.513 1.00 0.00 C ATOM 395 C LYS A 113 31.636 -9.578 -7.184 1.00 0.00 C ATOM 396 O LYS A 113 31.067 -9.413 -8.262 1.00 0.00 O ATOM 397 CB LYS A 113 32.797 -11.126 -5.529 1.00 0.00 C ATOM 398 CG LYS A 113 32.865 -12.581 -5.046 1.00 0.00 C ATOM 399 CD LYS A 113 33.772 -12.686 -3.813 1.00 0.00 C ATOM 400 CE LYS A 113 35.218 -12.348 -4.192 1.00 0.00 C ATOM 401 NZ LYS A 113 36.138 -12.634 -3.076 1.00 0.00 N ATOM 0 H LYS A 113 30.850 -12.594 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 113 30.705 -11.048 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.733 -10.851 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.670 -10.457 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.865 -12.939 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.246 -13.219 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 113 33.423 -12.006 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.722 -13.694 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 113 35.513 -12.926 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 113 35.289 -11.295 -4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 37.110 -12.397 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.868 -12.064 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 36.085 -13.644 -2.832 1.00 0.00 H new ATOM 415 N ARG A 114 32.282 -8.594 -6.544 1.00 0.00 N ATOM 416 CA ARG A 114 32.373 -7.236 -7.075 1.00 0.00 C ATOM 417 C ARG A 114 30.975 -6.706 -7.393 1.00 0.00 C ATOM 418 O ARG A 114 30.770 -6.036 -8.407 1.00 0.00 O ATOM 419 CB ARG A 114 33.255 -7.223 -8.336 1.00 0.00 C ATOM 420 CG ARG A 114 34.601 -7.906 -8.062 1.00 0.00 C ATOM 421 CD ARG A 114 35.403 -7.981 -9.364 1.00 0.00 C ATOM 422 NE ARG A 114 36.618 -8.792 -9.195 1.00 0.00 N ATOM 423 CZ ARG A 114 37.744 -8.330 -8.620 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.793 -7.083 -8.132 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.820 -9.122 -8.536 1.00 0.00 N ATOM 0 H ARG A 114 32.753 -8.720 -5.648 1.00 0.00 H new ATOM 0 HA ARG A 114 32.828 -6.588 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.741 -7.734 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.422 -6.195 -8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.158 -7.348 -7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.439 -8.907 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.783 -8.410 -10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.676 -6.976 -9.685 1.00 0.00 H new ATOM 0 HE ARG A 114 36.607 -9.755 -9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.974 -6.478 -8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.649 -6.739 -7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.785 -10.072 -8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.675 -8.776 -8.101 1.00 0.00 H new ATOM 439 N TRP A 115 30.014 -7.015 -6.522 1.00 0.00 N ATOM 440 CA TRP A 115 28.635 -6.613 -6.716 1.00 0.00 C ATOM 441 C TRP A 115 28.488 -5.099 -6.614 1.00 0.00 C ATOM 442 O TRP A 115 27.529 -4.542 -7.134 1.00 0.00 O ATOM 443 CB TRP A 115 27.769 -7.349 -5.704 1.00 0.00 C ATOM 444 CG TRP A 115 27.848 -8.832 -5.853 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.308 -9.693 -4.935 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.505 -9.645 -7.013 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.280 -10.983 -5.414 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.796 -11.012 -6.711 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.985 -9.371 -8.300 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.594 -12.040 -7.637 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.775 -10.404 -9.230 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.086 -11.729 -8.904 1.00 0.00 C ATOM 0 H TRP A 115 30.176 -7.549 -5.668 1.00 0.00 H new ATOM 0 HA TRP A 115 28.304 -6.882 -7.719 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.079 -7.072 -4.696 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.733 -7.031 -5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.654 -9.412 -3.951 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.575 -11.804 -4.886 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.746 -8.353 -8.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.827 -13.062 -7.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.370 -10.173 -10.204 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.934 -12.513 -9.631 1.00 0.00 H new ATOM 463 N SER A 116 29.444 -4.428 -5.963 1.00 0.00 N ATOM 464 CA SER A 116 29.428 -2.979 -5.871 1.00 0.00 C ATOM 465 C SER A 116 29.678 -2.392 -7.263 1.00 0.00 C ATOM 466 O SER A 116 29.005 -1.451 -7.674 1.00 0.00 O ATOM 467 CB SER A 116 30.502 -2.517 -4.883 1.00 0.00 C ATOM 468 OG SER A 116 30.213 -3.030 -3.599 1.00 0.00 O ATOM 0 H SER A 116 30.234 -4.872 -5.495 1.00 0.00 H new ATOM 0 HA SER A 116 28.460 -2.633 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.484 -2.859 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.538 -1.428 -4.852 1.00 0.00 H new ATOM 0 HG SER A 116 30.901 -2.736 -2.967 1.00 0.00 H new ATOM 474 N VAL A 117 30.648 -2.966 -7.986 1.00 0.00 N ATOM 475 CA VAL A 117 30.986 -2.523 -9.331 1.00 0.00 C ATOM 476 C VAL A 117 29.821 -2.831 -10.274 1.00 0.00 C ATOM 477 O VAL A 117 29.398 -1.972 -11.045 1.00 0.00 O ATOM 478 CB VAL A 117 32.272 -3.235 -9.788 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.627 -2.812 -11.216 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.428 -2.870 -8.850 1.00 0.00 C ATOM 0 H VAL A 117 31.214 -3.746 -7.651 1.00 0.00 H new ATOM 0 HA VAL A 117 31.162 -1.447 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 117 32.106 -4.312 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.538 -3.321 -11.530 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.812 -3.080 -11.888 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.784 -1.734 -11.248 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.336 -3.376 -9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.586 -1.792 -8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.185 -3.182 -7.834 1.00 0.00 H new ATOM 490 N ILE A 118 29.306 -4.063 -10.205 1.00 0.00 N ATOM 491 CA ILE A 118 28.198 -4.493 -11.048 1.00 0.00 C ATOM 492 C ILE A 118 26.968 -3.609 -10.788 1.00 0.00 C ATOM 493 O ILE A 118 26.278 -3.215 -11.728 1.00 0.00 O ATOM 494 CB ILE A 118 27.911 -5.981 -10.767 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.082 -6.828 -11.300 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.612 -6.415 -11.457 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.098 -8.200 -10.627 1.00 0.00 C ATOM 0 H ILE A 118 29.646 -4.782 -9.566 1.00 0.00 H new ATOM 0 HA ILE A 118 28.454 -4.385 -12.102 1.00 0.00 H new ATOM 0 HB ILE A 118 27.802 -6.127 -9.692 1.00 0.00 H new ATOM 0 HG12 ILE A 118 28.991 -6.947 -12.380 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.025 -6.314 -11.114 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.424 -7.468 -11.249 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.782 -5.817 -11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.705 -6.269 -12.533 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.931 -8.786 -11.015 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.212 -8.076 -9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.162 -8.718 -10.835 1.00 0.00 H new ATOM 509 N ALA A 119 26.700 -3.292 -9.513 1.00 0.00 N ATOM 510 CA ALA A 119 25.562 -2.456 -9.143 1.00 0.00 C ATOM 511 C ALA A 119 25.738 -1.039 -9.692 1.00 0.00 C ATOM 512 O ALA A 119 24.780 -0.444 -10.181 1.00 0.00 O ATOM 513 CB ALA A 119 25.423 -2.428 -7.622 1.00 0.00 C ATOM 0 H ALA A 119 27.262 -3.606 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 119 24.654 -2.876 -9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.573 -1.804 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.264 -3.441 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.332 -2.019 -7.181 1.00 0.00 H new ATOM 519 N LYS A 120 26.963 -0.495 -9.610 1.00 0.00 N ATOM 520 CA LYS A 120 27.247 0.850 -10.105 1.00 0.00 C ATOM 521 C LYS A 120 26.898 0.958 -11.593 1.00 0.00 C ATOM 522 O LYS A 120 26.582 2.049 -12.075 1.00 0.00 O ATOM 523 CB LYS A 120 28.723 1.188 -9.866 1.00 0.00 C ATOM 524 CG LYS A 120 28.915 1.645 -8.415 1.00 0.00 C ATOM 525 CD LYS A 120 30.404 1.639 -8.049 1.00 0.00 C ATOM 526 CE LYS A 120 31.165 2.651 -8.912 1.00 0.00 C ATOM 527 NZ LYS A 120 32.553 2.810 -8.440 1.00 0.00 N ATOM 0 H LYS A 120 27.769 -0.971 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 120 26.631 1.567 -9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.344 0.316 -10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.043 1.973 -10.551 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.505 2.647 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.365 0.986 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.528 1.884 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.818 0.641 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.166 2.321 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.655 3.614 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 33.047 3.500 -9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.549 3.148 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 33.044 1.894 -8.490 1.00 0.00 H new ATOM 541 N HIS A 121 26.948 -0.167 -12.318 1.00 0.00 N ATOM 542 CA HIS A 121 26.616 -0.190 -13.731 1.00 0.00 C ATOM 543 C HIS A 121 25.111 -0.368 -13.881 1.00 0.00 C ATOM 544 O HIS A 121 24.477 0.348 -14.655 1.00 0.00 O ATOM 545 CB HIS A 121 27.387 -1.319 -14.416 1.00 0.00 C ATOM 546 CG HIS A 121 28.875 -1.192 -14.219 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.505 0.031 -14.016 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.885 -2.116 -14.179 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.819 -0.226 -13.872 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.120 -1.522 -13.964 1.00 0.00 N ATOM 0 H HIS A 121 27.218 -1.074 -11.937 1.00 0.00 H new ATOM 0 HA HIS A 121 26.901 0.748 -14.208 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.050 -2.278 -14.022 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.162 -1.316 -15.482 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.058 0.947 -13.983 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.738 -3.179 -14.300 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.557 0.543 -13.699 1.00 0.00 H new ATOM 558 N LEU A 122 24.536 -1.314 -13.124 1.00 0.00 N ATOM 559 CA LEU A 122 23.101 -1.539 -13.134 1.00 0.00 C ATOM 560 C LEU A 122 22.435 -0.496 -12.237 1.00 0.00 C ATOM 561 O LEU A 122 21.869 -0.829 -11.194 1.00 0.00 O ATOM 562 CB LEU A 122 22.791 -2.963 -12.650 1.00 0.00 C ATOM 563 CG LEU A 122 23.212 -3.993 -13.710 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.031 -5.401 -13.145 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.346 -3.838 -14.966 1.00 0.00 C ATOM 0 H LEU A 122 25.053 -1.932 -12.499 1.00 0.00 H new ATOM 0 HA LEU A 122 22.711 -1.439 -14.147 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.316 -3.159 -11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.725 -3.060 -12.443 1.00 0.00 H new ATOM 0 HG LEU A 122 24.257 -3.829 -13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.329 -6.135 -13.894 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.650 -5.519 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.985 -5.556 -12.881 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.652 -4.572 -15.712 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.299 -3.997 -14.708 1.00 0.00 H new ATOM 0 HD23 LEU A 122 22.471 -2.834 -15.372 1.00 0.00 H new ATOM 577 N LYS A 123 22.515 0.774 -12.654 1.00 0.00 N ATOM 578 CA LYS A 123 21.955 1.882 -11.898 1.00 0.00 C ATOM 579 C LYS A 123 20.473 1.631 -11.633 1.00 0.00 C ATOM 580 O LYS A 123 19.691 1.474 -12.569 1.00 0.00 O ATOM 581 CB LYS A 123 22.162 3.186 -12.675 1.00 0.00 C ATOM 582 CG LYS A 123 23.662 3.437 -12.867 1.00 0.00 C ATOM 583 CD LYS A 123 23.880 4.831 -13.461 1.00 0.00 C ATOM 584 CE LYS A 123 25.328 4.971 -13.945 1.00 0.00 C ATOM 585 NZ LYS A 123 26.287 4.709 -12.855 1.00 0.00 N ATOM 0 H LYS A 123 22.970 1.053 -13.523 1.00 0.00 H new ATOM 0 HA LYS A 123 22.462 1.967 -10.937 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.666 3.127 -13.644 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.710 4.018 -12.136 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.180 3.353 -11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 123 24.086 2.680 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.193 4.994 -14.291 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.662 5.593 -12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.508 4.276 -14.765 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.487 5.975 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 27.242 4.990 -13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 26.015 5.257 -12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 26.282 3.695 -12.624 1.00 0.00 H new ATOM 599 N GLY A 124 20.102 1.586 -10.347 1.00 0.00 N ATOM 600 CA GLY A 124 18.734 1.321 -9.931 1.00 0.00 C ATOM 601 C GLY A 124 18.718 0.126 -8.984 1.00 0.00 C ATOM 602 O GLY A 124 17.941 0.095 -8.032 1.00 0.00 O ATOM 0 H GLY A 124 20.748 1.733 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.316 2.198 -9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.110 1.118 -10.801 1.00 0.00 H new ATOM 606 N ARG A 125 19.588 -0.858 -9.252 1.00 0.00 N ATOM 607 CA ARG A 125 19.695 -2.049 -8.425 1.00 0.00 C ATOM 608 C ARG A 125 20.719 -1.815 -7.320 1.00 0.00 C ATOM 609 O ARG A 125 21.282 -0.728 -7.199 1.00 0.00 O ATOM 610 CB ARG A 125 20.144 -3.236 -9.288 1.00 0.00 C ATOM 611 CG ARG A 125 19.094 -3.571 -10.346 1.00 0.00 C ATOM 612 CD ARG A 125 17.988 -4.459 -9.758 1.00 0.00 C ATOM 613 NE ARG A 125 17.444 -5.318 -10.809 1.00 0.00 N ATOM 614 CZ ARG A 125 16.192 -5.801 -10.823 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.492 -5.904 -9.692 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.645 -6.190 -11.981 1.00 0.00 N ATOM 0 H ARG A 125 20.230 -0.843 -10.045 1.00 0.00 H new ATOM 0 HA ARG A 125 18.723 -2.266 -7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.091 -3.000 -9.773 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.318 -4.106 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.658 -2.651 -10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.567 -4.080 -11.185 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.388 -5.067 -8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.197 -3.841 -9.333 1.00 0.00 H new ATOM 0 HE ARG A 125 18.058 -5.567 -11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.908 -5.614 -8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.541 -6.272 -9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.179 -6.119 -12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.694 -6.558 -11.998 1.00 0.00 H new ATOM 630 N ILE A 126 20.964 -2.862 -6.531 1.00 0.00 N ATOM 631 CA ILE A 126 21.965 -2.845 -5.483 1.00 0.00 C ATOM 632 C ILE A 126 22.721 -4.168 -5.548 1.00 0.00 C ATOM 633 O ILE A 126 22.240 -5.127 -6.160 1.00 0.00 O ATOM 634 CB ILE A 126 21.308 -2.633 -4.106 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.177 -3.650 -3.894 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.748 -1.208 -4.021 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.681 -3.592 -2.447 1.00 0.00 C ATOM 0 H ILE A 126 20.465 -3.749 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 126 22.659 -2.017 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 126 22.058 -2.777 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.354 -3.438 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.533 -4.654 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.283 -1.057 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.558 -0.490 -4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 126 20.004 -1.062 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.879 -4.317 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.503 -3.826 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.307 -2.591 -2.230 1.00 0.00 H new ATOM 649 N GLY A 127 23.903 -4.222 -4.932 1.00 0.00 N ATOM 650 CA GLY A 127 24.733 -5.417 -4.954 1.00 0.00 C ATOM 651 C GLY A 127 23.942 -6.650 -4.513 1.00 0.00 C ATOM 652 O GLY A 127 24.189 -7.750 -5.001 1.00 0.00 O ATOM 0 H GLY A 127 24.305 -3.444 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.123 -5.573 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.591 -5.279 -4.297 1.00 0.00 H new ATOM 656 N LYS A 128 22.994 -6.464 -3.588 1.00 0.00 N ATOM 657 CA LYS A 128 22.195 -7.560 -3.064 1.00 0.00 C ATOM 658 C LYS A 128 21.340 -8.198 -4.171 1.00 0.00 C ATOM 659 O LYS A 128 21.273 -9.421 -4.262 1.00 0.00 O ATOM 660 CB LYS A 128 21.322 -7.035 -1.918 1.00 0.00 C ATOM 661 CG LYS A 128 21.111 -8.140 -0.878 1.00 0.00 C ATOM 662 CD LYS A 128 20.407 -7.557 0.351 1.00 0.00 C ATOM 663 CE LYS A 128 20.095 -8.677 1.347 1.00 0.00 C ATOM 664 NZ LYS A 128 19.472 -8.141 2.570 1.00 0.00 N ATOM 0 H LYS A 128 22.766 -5.554 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 128 22.854 -8.340 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.797 -6.171 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.360 -6.699 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.514 -8.946 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 128 22.070 -8.571 -0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 128 21.040 -6.805 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.486 -7.057 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.428 -9.404 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 128 21.013 -9.205 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 19.271 -8.921 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 20.120 -7.465 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.584 -7.658 2.324 1.00 0.00 H new ATOM 678 N GLN A 129 20.686 -7.375 -5.011 1.00 0.00 N ATOM 679 CA GLN A 129 19.842 -7.888 -6.090 1.00 0.00 C ATOM 680 C GLN A 129 20.704 -8.622 -7.111 1.00 0.00 C ATOM 681 O GLN A 129 20.397 -9.752 -7.484 1.00 0.00 O ATOM 682 CB GLN A 129 19.082 -6.740 -6.766 1.00 0.00 C ATOM 683 CG GLN A 129 18.026 -6.176 -5.815 1.00 0.00 C ATOM 684 CD GLN A 129 17.038 -5.284 -6.555 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.003 -5.749 -7.015 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.357 -3.999 -6.673 1.00 0.00 N ATOM 0 H GLN A 129 20.729 -6.357 -4.959 1.00 0.00 H new ATOM 0 HA GLN A 129 19.114 -8.583 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.779 -5.953 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.606 -7.097 -7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.491 -6.995 -5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 129 18.513 -5.606 -5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 129 18.230 -3.652 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.729 -3.360 -7.161 1.00 0.00 H new ATOM 695 N CYS A 130 21.784 -7.974 -7.561 1.00 0.00 N ATOM 696 CA CYS A 130 22.699 -8.570 -8.527 1.00 0.00 C ATOM 697 C CYS A 130 23.186 -9.928 -8.014 1.00 0.00 C ATOM 698 O CYS A 130 23.147 -10.920 -8.743 1.00 0.00 O ATOM 699 CB CYS A 130 23.884 -7.625 -8.758 1.00 0.00 C ATOM 700 SG CYS A 130 23.272 -6.041 -9.389 1.00 0.00 S ATOM 0 H CYS A 130 22.042 -7.032 -7.267 1.00 0.00 H new ATOM 0 HA CYS A 130 22.181 -8.725 -9.474 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.429 -7.472 -7.827 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.583 -8.067 -9.468 1.00 0.00 H new ATOM 0 HG CYS A 130 22.766 -5.351 -8.411 1.00 0.00 H new ATOM 706 N ARG A 131 23.641 -9.966 -6.754 1.00 0.00 N ATOM 707 CA ARG A 131 24.132 -11.188 -6.136 1.00 0.00 C ATOM 708 C ARG A 131 23.030 -12.249 -6.113 1.00 0.00 C ATOM 709 O ARG A 131 23.272 -13.395 -6.478 1.00 0.00 O ATOM 710 CB ARG A 131 24.625 -10.860 -4.717 1.00 0.00 C ATOM 711 CG ARG A 131 25.327 -12.075 -4.091 1.00 0.00 C ATOM 712 CD ARG A 131 24.303 -13.019 -3.439 1.00 0.00 C ATOM 713 NE ARG A 131 24.702 -13.373 -2.067 1.00 0.00 N ATOM 714 CZ ARG A 131 25.765 -14.148 -1.780 1.00 0.00 C ATOM 715 NH1 ARG A 131 26.531 -14.637 -2.763 1.00 0.00 N ATOM 716 NH2 ARG A 131 26.058 -14.429 -0.504 1.00 0.00 N ATOM 0 H ARG A 131 23.676 -9.150 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 131 24.962 -11.593 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.312 -10.015 -4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.782 -10.560 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.888 -12.612 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.047 -11.740 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.323 -12.542 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.207 -13.925 -4.038 1.00 0.00 H new ATOM 0 HE ARG A 131 24.144 -13.012 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.311 -14.423 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 131 27.335 -15.224 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 131 25.477 -14.056 0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 131 26.862 -15.016 -0.283 1.00 0.00 H new ATOM 730 N GLU A 132 21.822 -11.866 -5.682 1.00 0.00 N ATOM 731 CA GLU A 132 20.697 -12.789 -5.609 1.00 0.00 C ATOM 732 C GLU A 132 20.439 -13.412 -6.979 1.00 0.00 C ATOM 733 O GLU A 132 20.502 -14.628 -7.120 1.00 0.00 O ATOM 734 CB GLU A 132 19.458 -12.036 -5.100 1.00 0.00 C ATOM 735 CG GLU A 132 18.293 -13.011 -4.890 1.00 0.00 C ATOM 736 CD GLU A 132 17.043 -12.270 -4.430 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.704 -11.266 -5.090 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.446 -12.719 -3.427 1.00 0.00 O ATOM 0 H GLU A 132 21.604 -10.917 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 132 20.926 -13.597 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.691 -11.530 -4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.172 -11.266 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.085 -13.542 -5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.570 -13.761 -4.149 1.00 0.00 H new ATOM 745 N ARG A 133 20.152 -12.575 -7.985 1.00 0.00 N ATOM 746 CA ARG A 133 19.869 -13.045 -9.339 1.00 0.00 C ATOM 747 C ARG A 133 20.887 -14.107 -9.759 1.00 0.00 C ATOM 748 O ARG A 133 20.516 -15.141 -10.318 1.00 0.00 O ATOM 749 CB ARG A 133 19.906 -11.847 -10.305 1.00 0.00 C ATOM 750 CG ARG A 133 19.417 -12.258 -11.700 1.00 0.00 C ATOM 751 CD ARG A 133 17.896 -12.424 -11.704 1.00 0.00 C ATOM 752 NE ARG A 133 17.419 -12.729 -13.062 1.00 0.00 N ATOM 753 CZ ARG A 133 16.192 -13.210 -13.325 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.323 -13.402 -12.333 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.839 -13.493 -14.582 1.00 0.00 N ATOM 0 H ARG A 133 20.111 -11.561 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 133 18.879 -13.500 -9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.281 -11.042 -9.918 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.922 -11.458 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.709 -11.504 -12.431 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.892 -13.193 -11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.609 -13.224 -11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.423 -11.511 -11.341 1.00 0.00 H new ATOM 0 HE ARG A 133 18.053 -12.567 -13.845 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.589 -13.184 -11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.392 -13.767 -12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.501 -13.344 -15.343 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.907 -13.858 -14.780 1.00 0.00 H new ATOM 769 N TRP A 134 22.168 -13.843 -9.491 1.00 0.00 N ATOM 770 CA TRP A 134 23.239 -14.743 -9.870 1.00 0.00 C ATOM 771 C TRP A 134 23.187 -16.048 -9.070 1.00 0.00 C ATOM 772 O TRP A 134 23.267 -17.128 -9.647 1.00 0.00 O ATOM 773 CB TRP A 134 24.577 -14.035 -9.658 1.00 0.00 C ATOM 774 CG TRP A 134 25.684 -14.572 -10.496 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.809 -15.154 -10.047 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.793 -14.582 -11.944 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.618 -15.525 -11.093 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.031 -15.199 -12.302 1.00 0.00 C ATOM 779 CE3 TRP A 134 24.974 -14.126 -13.001 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.423 -15.364 -13.632 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.360 -14.292 -14.332 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.574 -14.922 -14.653 1.00 0.00 C ATOM 0 H TRP A 134 22.482 -13.002 -9.007 1.00 0.00 H new ATOM 0 HA TRP A 134 23.122 -15.007 -10.921 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.453 -12.974 -9.874 1.00 0.00 H new ATOM 0 HB3 TRP A 134 24.857 -14.116 -8.608 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.045 -15.309 -9.005 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.526 -15.978 -10.992 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.035 -13.642 -12.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.369 -15.827 -13.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.719 -13.932 -15.123 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.852 -15.065 -15.687 1.00 0.00 H new ATOM 793 N HIS A 135 23.066 -15.951 -7.743 1.00 0.00 N ATOM 794 CA HIS A 135 23.065 -17.128 -6.878 1.00 0.00 C ATOM 795 C HIS A 135 21.670 -17.769 -6.799 1.00 0.00 C ATOM 796 O HIS A 135 21.361 -18.441 -5.817 1.00 0.00 O ATOM 797 CB HIS A 135 23.565 -16.722 -5.487 1.00 0.00 C ATOM 798 CG HIS A 135 25.050 -16.459 -5.464 1.00 0.00 C ATOM 799 ND1 HIS A 135 25.958 -17.347 -4.897 1.00 0.00 N ATOM 800 CD2 HIS A 135 25.818 -15.421 -5.930 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.182 -16.803 -5.051 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.165 -15.623 -5.672 1.00 0.00 N ATOM 0 H HIS A 135 22.967 -15.066 -7.246 1.00 0.00 H new ATOM 0 HA HIS A 135 23.733 -17.880 -7.300 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.035 -15.827 -5.160 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.327 -17.511 -4.774 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.421 -14.553 -6.436 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.089 -17.277 -4.705 1.00 0.00 H new ATOM 0 HE2 HIS A 135 27.952 -15.016 -5.901 1.00 0.00 H new ATOM 810 N ASN A 136 20.836 -17.574 -7.833 1.00 0.00 N ATOM 811 CA ASN A 136 19.505 -18.176 -7.884 1.00 0.00 C ATOM 812 C ASN A 136 19.364 -19.014 -9.139 1.00 0.00 C ATOM 813 O ASN A 136 19.471 -20.237 -9.097 1.00 0.00 O ATOM 814 CB ASN A 136 18.427 -17.081 -7.882 1.00 0.00 C ATOM 815 CG ASN A 136 17.995 -16.751 -6.472 1.00 0.00 C ATOM 816 OD1 ASN A 136 16.845 -16.970 -6.101 1.00 0.00 O ATOM 817 ND2 ASN A 136 18.914 -16.226 -5.688 1.00 0.00 N ATOM 0 H ASN A 136 21.066 -17.001 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 136 19.376 -18.809 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.813 -16.185 -8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.566 -17.412 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.684 -15.982 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.856 -16.064 -6.044 1.00 0.00 H new ATOM 824 N HIS A 137 19.095 -18.338 -10.250 1.00 0.00 N ATOM 825 CA HIS A 137 18.830 -18.999 -11.523 1.00 0.00 C ATOM 826 C HIS A 137 20.124 -19.449 -12.216 1.00 0.00 C ATOM 827 O HIS A 137 20.517 -20.607 -12.089 1.00 0.00 O ATOM 828 CB HIS A 137 18.016 -18.058 -12.420 1.00 0.00 C ATOM 829 CG HIS A 137 16.881 -17.403 -11.689 1.00 0.00 C ATOM 830 ND1 HIS A 137 15.781 -18.103 -11.208 1.00 0.00 N ATOM 831 CD2 HIS A 137 16.658 -16.104 -11.336 1.00 0.00 C ATOM 832 CE1 HIS A 137 14.980 -17.198 -10.609 1.00 0.00 C ATOM 833 NE2 HIS A 137 15.460 -15.953 -10.652 1.00 0.00 N ATOM 0 H HIS A 137 19.054 -17.320 -10.294 1.00 0.00 H new ATOM 0 HA HIS A 137 18.253 -19.904 -11.332 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.674 -17.289 -12.826 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.622 -18.620 -13.267 1.00 0.00 H new ATOM 0 HD2 HIS A 137 17.333 -15.291 -11.562 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.042 -17.455 -10.140 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.047 -15.100 -10.275 1.00 0.00 H new ATOM 841 N LEU A 138 20.770 -18.545 -12.969 1.00 0.00 N ATOM 842 CA LEU A 138 21.956 -18.888 -13.744 1.00 0.00 C ATOM 843 C LEU A 138 23.230 -18.601 -12.955 1.00 0.00 C ATOM 844 O LEU A 138 23.435 -17.492 -12.469 1.00 0.00 O ATOM 845 CB LEU A 138 21.950 -18.118 -15.078 1.00 0.00 C ATOM 846 CG LEU A 138 21.690 -16.616 -14.853 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.674 -15.801 -15.681 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.268 -16.263 -15.289 1.00 0.00 C ATOM 0 H LEU A 138 20.484 -17.570 -13.053 1.00 0.00 H new ATOM 0 HA LEU A 138 21.936 -19.957 -13.956 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.907 -18.253 -15.583 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.183 -18.528 -15.734 1.00 0.00 H new ATOM 0 HG LEU A 138 21.815 -16.390 -13.794 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.490 -14.738 -15.522 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.693 -16.043 -15.377 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.544 -16.038 -16.737 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.091 -15.200 -15.127 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.144 -16.495 -16.347 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.554 -16.843 -14.704 1.00 0.00 H new ATOM 860 N ASN A 139 24.092 -19.617 -12.847 1.00 0.00 N ATOM 861 CA ASN A 139 25.365 -19.496 -12.159 1.00 0.00 C ATOM 862 C ASN A 139 26.402 -20.358 -12.890 1.00 0.00 C ATOM 863 O ASN A 139 26.782 -21.420 -12.398 1.00 0.00 O ATOM 864 CB ASN A 139 25.197 -19.934 -10.700 1.00 0.00 C ATOM 865 CG ASN A 139 26.422 -19.559 -9.867 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.531 -19.469 -10.387 1.00 0.00 O ATOM 867 ND2 ASN A 139 26.217 -19.340 -8.568 1.00 0.00 N ATOM 0 H ASN A 139 23.919 -20.544 -13.237 1.00 0.00 H new ATOM 0 HA ASN A 139 25.710 -18.462 -12.161 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.309 -19.465 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.040 -21.012 -10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 139 26.999 -19.086 -7.964 1.00 0.00 H new ATOM 0 HD22 ASN A 139 25.278 -19.426 -8.178 1.00 0.00 H new ATOM 874 N PRO A 140 26.858 -19.904 -14.077 1.00 0.00 N ATOM 875 CA PRO A 140 27.826 -20.629 -14.879 1.00 0.00 C ATOM 876 C PRO A 140 29.140 -20.798 -14.122 1.00 0.00 C ATOM 877 O PRO A 140 29.818 -21.810 -14.280 1.00 0.00 O ATOM 878 CB PRO A 140 28.020 -19.799 -16.149 1.00 0.00 C ATOM 879 CG PRO A 140 27.286 -18.474 -15.924 1.00 0.00 C ATOM 880 CD PRO A 140 26.434 -18.653 -14.670 1.00 0.00 C ATOM 0 HA PRO A 140 27.479 -21.635 -15.115 1.00 0.00 H new ATOM 0 HB2 PRO A 140 29.079 -19.627 -16.341 1.00 0.00 H new ATOM 0 HB3 PRO A 140 27.619 -20.321 -17.018 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.995 -17.656 -15.797 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.663 -18.226 -16.783 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.579 -17.824 -13.978 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.373 -18.679 -14.919 1.00 0.00 H new ATOM 888 N GLU A 141 29.494 -19.801 -13.299 1.00 0.00 N ATOM 889 CA GLU A 141 30.714 -19.845 -12.511 1.00 0.00 C ATOM 890 C GLU A 141 30.718 -21.102 -11.643 1.00 0.00 C ATOM 891 O GLU A 141 31.726 -21.788 -11.539 1.00 0.00 O ATOM 892 CB GLU A 141 30.803 -18.595 -11.633 1.00 0.00 C ATOM 893 CG GLU A 141 30.763 -17.329 -12.495 1.00 0.00 C ATOM 894 CD GLU A 141 31.099 -16.114 -11.652 1.00 0.00 C ATOM 895 OE1 GLU A 141 30.297 -15.818 -10.742 1.00 0.00 O ATOM 896 OE2 GLU A 141 32.149 -15.508 -11.931 1.00 0.00 O ATOM 0 H GLU A 141 28.943 -18.953 -13.168 1.00 0.00 H new ATOM 0 HA GLU A 141 31.577 -19.872 -13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 141 29.977 -18.584 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.725 -18.617 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 141 31.472 -17.418 -13.318 1.00 0.00 H new ATOM 0 HG3 GLU A 141 29.774 -17.212 -12.938 1.00 0.00 H new HETATM 903 N NH2 A 142 29.585 -21.401 -11.017 1.00 0.00 N TER 906 NH2 A 142