USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 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 109 LYS NZ :NH3+ -154:sc= 1.68 (180deg=-0.141) USER MOD Set 1.2: A 110 TYR OH : rot -154:sc= 1.57 USER MOD Set 1.3: A 121 HIS : no HE2:sc= 0.7 K(o=4,f=-2.7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= 0.22 X(o=0.22,f=-0.2) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 170:sc=-0.00621 (180deg=-0.133) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0.214 K(o=0.21,f=-6.7!) USER MOD Single : A 130 CYS SG : rot 75:sc= 0.22 USER MOD Single : A 135 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 136 ASN : amide:sc= 0.578 K(o=0.58,f=-0.12) USER MOD Single : A 137 HIS : no HE2:sc= -0.429 K(o=-0.43,f=-1.3) USER MOD Single : A 139 ASN : amide:sc= 0.748 K(o=0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 10.753 -9.544 -5.636 1.00 0.00 N ATOM 2 CA LEU A 90 12.079 -8.944 -5.873 1.00 0.00 C ATOM 3 C LEU A 90 11.923 -7.475 -6.253 1.00 0.00 C ATOM 4 O LEU A 90 10.804 -6.986 -6.392 1.00 0.00 O ATOM 5 CB LEU A 90 12.831 -9.698 -6.982 1.00 0.00 C ATOM 6 CG LEU A 90 12.927 -11.199 -6.659 1.00 0.00 C ATOM 7 CD1 LEU A 90 13.733 -11.897 -7.757 1.00 0.00 C ATOM 8 CD2 LEU A 90 13.621 -11.408 -5.309 1.00 0.00 C ATOM 0 HA LEU A 90 12.660 -9.019 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.318 -9.559 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.832 -9.282 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 90 11.922 -11.619 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.805 -12.962 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.235 -11.760 -8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.734 -11.467 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.682 -12.475 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.626 -10.987 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.049 -10.911 -4.525 1.00 0.00 H new ATOM 22 N ILE A 91 13.050 -6.776 -6.423 1.00 0.00 N ATOM 23 CA ILE A 91 13.041 -5.371 -6.801 1.00 0.00 C ATOM 24 C ILE A 91 12.392 -5.212 -8.167 1.00 0.00 C ATOM 25 O ILE A 91 12.702 -5.971 -9.085 1.00 0.00 O ATOM 26 CB ILE A 91 14.489 -4.848 -6.849 1.00 0.00 C ATOM 27 CG1 ILE A 91 14.885 -4.254 -5.484 1.00 0.00 C ATOM 28 CG2 ILE A 91 14.631 -3.790 -7.962 1.00 0.00 C ATOM 29 CD1 ILE A 91 14.290 -2.852 -5.300 1.00 0.00 C ATOM 0 H ILE A 91 13.983 -7.170 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 91 12.472 -4.800 -6.068 1.00 0.00 H new ATOM 0 HB ILE A 91 15.159 -5.678 -7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.537 -4.908 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.971 -4.205 -5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.658 -3.426 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.380 -4.237 -8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 91 13.956 -2.958 -7.761 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.585 -2.456 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.659 -2.194 -6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.203 -2.908 -5.354 1.00 0.00 H new ATOM 41 N LYS A 92 11.514 -4.207 -8.304 1.00 0.00 N ATOM 42 CA LYS A 92 10.876 -3.906 -9.573 1.00 0.00 C ATOM 43 C LYS A 92 10.324 -5.192 -10.187 1.00 0.00 C ATOM 44 O LYS A 92 9.569 -5.916 -9.539 1.00 0.00 O ATOM 45 CB LYS A 92 11.911 -3.207 -10.480 1.00 0.00 C ATOM 46 CG LYS A 92 11.205 -2.473 -11.632 1.00 0.00 C ATOM 47 CD LYS A 92 12.222 -2.098 -12.719 1.00 0.00 C ATOM 48 CE LYS A 92 13.256 -1.112 -12.160 1.00 0.00 C ATOM 49 NZ LYS A 92 14.153 -0.626 -13.226 1.00 0.00 N ATOM 0 H LYS A 92 11.235 -3.591 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 92 10.029 -3.232 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.498 -2.499 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.608 -3.943 -10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.426 -3.107 -12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.715 -1.575 -11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.724 -2.995 -13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.707 -1.653 -13.571 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.745 -0.268 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.842 -1.598 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.843 0.039 -12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.656 -1.431 -13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.593 -0.143 -13.957 1.00 0.00 H new ATOM 63 N GLY A 93 10.702 -5.470 -11.427 1.00 0.00 N ATOM 64 CA GLY A 93 10.258 -6.653 -12.123 1.00 0.00 C ATOM 65 C GLY A 93 11.180 -7.831 -11.818 1.00 0.00 C ATOM 66 O GLY A 93 12.256 -7.641 -11.256 1.00 0.00 O ATOM 0 H GLY A 93 11.326 -4.876 -11.973 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.238 -6.896 -11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.241 -6.465 -13.197 1.00 0.00 H new ATOM 70 N PRO A 94 10.767 -9.059 -12.191 1.00 0.00 N ATOM 71 CA PRO A 94 11.555 -10.259 -11.972 1.00 0.00 C ATOM 72 C PRO A 94 12.688 -10.360 -12.999 1.00 0.00 C ATOM 73 O PRO A 94 12.866 -11.393 -13.645 1.00 0.00 O ATOM 74 CB PRO A 94 10.558 -11.402 -12.110 1.00 0.00 C ATOM 75 CG PRO A 94 9.366 -10.840 -12.896 1.00 0.00 C ATOM 76 CD PRO A 94 9.494 -9.317 -12.834 1.00 0.00 C ATOM 0 HA PRO A 94 12.044 -10.270 -10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 94 11.005 -12.247 -12.633 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.243 -11.764 -11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.380 -11.190 -13.928 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.423 -11.169 -12.461 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.463 -8.880 -13.832 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.673 -8.877 -12.268 1.00 0.00 H new ATOM 84 N TRP A 95 13.449 -9.270 -13.132 1.00 0.00 N ATOM 85 CA TRP A 95 14.580 -9.176 -14.057 1.00 0.00 C ATOM 86 C TRP A 95 14.118 -9.344 -15.513 1.00 0.00 C ATOM 87 O TRP A 95 12.959 -9.668 -15.774 1.00 0.00 O ATOM 88 CB TRP A 95 15.647 -10.216 -13.682 1.00 0.00 C ATOM 89 CG TRP A 95 16.475 -9.841 -12.494 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.115 -9.966 -11.204 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.805 -9.254 -12.468 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.108 -9.504 -10.370 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.189 -9.047 -11.106 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.730 -8.868 -13.458 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.420 -8.484 -10.754 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.964 -8.291 -13.110 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.308 -8.094 -11.764 1.00 0.00 C ATOM 0 H TRP A 95 13.294 -8.418 -12.593 1.00 0.00 H new ATOM 0 HA TRP A 95 15.022 -8.183 -13.973 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.156 -11.169 -13.483 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.306 -10.369 -14.537 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.173 -10.374 -10.868 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.055 -9.499 -9.351 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.488 -9.018 -14.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.683 -8.352 -9.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.654 -7.996 -13.887 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.255 -7.643 -11.508 1.00 0.00 H new ATOM 108 N THR A 96 15.039 -9.112 -16.462 1.00 0.00 N ATOM 109 CA THR A 96 14.747 -9.237 -17.887 1.00 0.00 C ATOM 110 C THR A 96 15.911 -9.945 -18.579 1.00 0.00 C ATOM 111 O THR A 96 16.981 -10.098 -17.994 1.00 0.00 O ATOM 112 CB THR A 96 14.517 -7.847 -18.509 1.00 0.00 C ATOM 113 OG1 THR A 96 15.751 -7.173 -18.642 1.00 0.00 O ATOM 114 CG2 THR A 96 13.577 -7.017 -17.629 1.00 0.00 C ATOM 0 H THR A 96 15.999 -8.835 -16.258 1.00 0.00 H new ATOM 0 HA THR A 96 13.838 -9.824 -18.020 1.00 0.00 H new ATOM 0 HB THR A 96 14.062 -7.976 -19.491 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.600 -6.290 -19.040 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.425 -6.038 -18.082 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.618 -7.528 -17.538 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.018 -6.894 -16.640 1.00 0.00 H new ATOM 122 N LYS A 97 15.697 -10.374 -19.828 1.00 0.00 N ATOM 123 CA LYS A 97 16.724 -11.064 -20.596 1.00 0.00 C ATOM 124 C LYS A 97 17.927 -10.141 -20.812 1.00 0.00 C ATOM 125 O LYS A 97 19.069 -10.572 -20.678 1.00 0.00 O ATOM 126 CB LYS A 97 16.129 -11.513 -21.940 1.00 0.00 C ATOM 127 CG LYS A 97 17.101 -12.457 -22.669 1.00 0.00 C ATOM 128 CD LYS A 97 16.974 -13.887 -22.123 1.00 0.00 C ATOM 129 CE LYS A 97 15.785 -14.597 -22.783 1.00 0.00 C ATOM 130 NZ LYS A 97 15.656 -15.981 -22.292 1.00 0.00 N ATOM 0 H LYS A 97 14.815 -10.252 -20.325 1.00 0.00 H new ATOM 0 HA LYS A 97 17.068 -11.942 -20.049 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.178 -12.018 -21.773 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.922 -10.642 -22.562 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.891 -12.450 -23.738 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.124 -12.103 -22.543 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.892 -14.442 -22.316 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.838 -13.862 -21.042 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.867 -14.047 -22.575 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.915 -14.602 -23.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.845 -16.439 -22.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.524 -16.510 -22.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.508 -15.972 -21.263 1.00 0.00 H new ATOM 144 N GLU A 98 17.665 -8.873 -21.150 1.00 0.00 N ATOM 145 CA GLU A 98 18.722 -7.900 -21.392 1.00 0.00 C ATOM 146 C GLU A 98 19.527 -7.675 -20.112 1.00 0.00 C ATOM 147 O GLU A 98 20.755 -7.700 -20.134 1.00 0.00 O ATOM 148 CB GLU A 98 18.101 -6.584 -21.872 1.00 0.00 C ATOM 149 CG GLU A 98 19.201 -5.650 -22.387 1.00 0.00 C ATOM 150 CD GLU A 98 18.724 -4.205 -22.399 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.852 -3.901 -23.237 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.244 -3.430 -21.563 1.00 0.00 O ATOM 0 H GLU A 98 16.722 -8.501 -21.261 1.00 0.00 H new ATOM 0 HA GLU A 98 19.396 -8.277 -22.161 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.377 -6.780 -22.663 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.559 -6.107 -21.055 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.085 -5.740 -21.756 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.496 -5.948 -23.393 1.00 0.00 H new ATOM 159 N GLU A 99 18.826 -7.450 -18.998 1.00 0.00 N ATOM 160 CA GLU A 99 19.467 -7.210 -17.715 1.00 0.00 C ATOM 161 C GLU A 99 20.320 -8.424 -17.329 1.00 0.00 C ATOM 162 O GLU A 99 21.449 -8.267 -16.866 1.00 0.00 O ATOM 163 CB GLU A 99 18.383 -6.916 -16.675 1.00 0.00 C ATOM 164 CG GLU A 99 18.918 -5.945 -15.621 1.00 0.00 C ATOM 165 CD GLU A 99 17.834 -5.582 -14.612 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.823 -6.323 -14.561 1.00 0.00 O ATOM 167 OE2 GLU A 99 18.033 -4.571 -13.907 1.00 0.00 O ATOM 0 H GLU A 99 17.807 -7.430 -18.966 1.00 0.00 H new ATOM 0 HA GLU A 99 20.134 -6.349 -17.770 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.506 -6.490 -17.162 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.064 -7.843 -16.199 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.765 -6.395 -15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 99 19.285 -5.041 -16.107 1.00 0.00 H new ATOM 174 N ASP A 100 19.784 -9.634 -17.534 1.00 0.00 N ATOM 175 CA ASP A 100 20.511 -10.865 -17.243 1.00 0.00 C ATOM 176 C ASP A 100 21.755 -10.951 -18.129 1.00 0.00 C ATOM 177 O ASP A 100 22.836 -11.286 -17.649 1.00 0.00 O ATOM 178 CB ASP A 100 19.592 -12.073 -17.480 1.00 0.00 C ATOM 179 CG ASP A 100 18.891 -12.506 -16.201 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.755 -11.652 -15.300 1.00 0.00 O ATOM 181 OD2 ASP A 100 18.496 -13.689 -16.146 1.00 0.00 O ATOM 0 H ASP A 100 18.844 -9.781 -17.902 1.00 0.00 H new ATOM 0 HA ASP A 100 20.828 -10.866 -16.200 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.848 -11.821 -18.236 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.177 -12.904 -17.873 1.00 0.00 H new ATOM 186 N GLN A 101 21.603 -10.645 -19.424 1.00 0.00 N ATOM 187 CA GLN A 101 22.717 -10.670 -20.360 1.00 0.00 C ATOM 188 C GLN A 101 23.797 -9.695 -19.894 1.00 0.00 C ATOM 189 O GLN A 101 24.990 -9.999 -19.971 1.00 0.00 O ATOM 190 CB GLN A 101 22.211 -10.311 -21.766 1.00 0.00 C ATOM 191 CG GLN A 101 23.363 -10.348 -22.780 1.00 0.00 C ATOM 192 CD GLN A 101 23.993 -11.736 -22.857 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.521 -12.592 -23.600 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.060 -11.958 -22.089 1.00 0.00 N ATOM 0 H GLN A 101 20.712 -10.377 -19.842 1.00 0.00 H new ATOM 0 HA GLN A 101 23.153 -11.668 -20.397 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.431 -11.010 -22.067 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.761 -9.318 -21.754 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.993 -10.060 -23.764 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.121 -9.618 -22.498 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.418 -11.217 -21.487 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.518 -12.869 -22.104 1.00 0.00 H new ATOM 203 N ARG A 102 23.376 -8.525 -19.406 1.00 0.00 N ATOM 204 CA ARG A 102 24.298 -7.520 -18.917 1.00 0.00 C ATOM 205 C ARG A 102 25.056 -8.066 -17.702 1.00 0.00 C ATOM 206 O ARG A 102 26.266 -7.885 -17.601 1.00 0.00 O ATOM 207 CB ARG A 102 23.516 -6.246 -18.574 1.00 0.00 C ATOM 208 CG ARG A 102 24.483 -5.074 -18.390 1.00 0.00 C ATOM 209 CD ARG A 102 23.706 -3.751 -18.389 1.00 0.00 C ATOM 210 NE ARG A 102 23.364 -3.333 -19.761 1.00 0.00 N ATOM 211 CZ ARG A 102 22.114 -3.371 -20.278 1.00 0.00 C ATOM 212 NH1 ARG A 102 21.110 -3.970 -19.622 1.00 0.00 N ATOM 213 NH2 ARG A 102 21.870 -2.804 -21.463 1.00 0.00 N ATOM 0 H ARG A 102 22.394 -8.258 -19.343 1.00 0.00 H new ATOM 0 HA ARG A 102 25.033 -7.273 -19.683 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.805 -6.021 -19.369 1.00 0.00 H new ATOM 0 HB3 ARG A 102 22.938 -6.398 -17.663 1.00 0.00 H new ATOM 0 HG2 ARG A 102 25.029 -5.186 -17.453 1.00 0.00 H new ATOM 0 HG3 ARG A 102 25.222 -5.071 -19.192 1.00 0.00 H new ATOM 0 HD2 ARG A 102 22.794 -3.862 -17.802 1.00 0.00 H new ATOM 0 HD3 ARG A 102 24.303 -2.976 -17.908 1.00 0.00 H new ATOM 0 HE ARG A 102 24.118 -2.994 -20.359 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.282 -4.408 -18.717 1.00 0.00 H new ATOM 0 HH12 ARG A 102 20.175 -3.988 -20.028 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.624 -2.345 -21.974 1.00 0.00 H new ATOM 0 HH22 ARG A 102 20.929 -2.830 -21.857 1.00 0.00 H new ATOM 227 N VAL A 103 24.348 -8.745 -16.784 1.00 0.00 N ATOM 228 CA VAL A 103 24.983 -9.333 -15.607 1.00 0.00 C ATOM 229 C VAL A 103 26.026 -10.356 -16.048 1.00 0.00 C ATOM 230 O VAL A 103 27.149 -10.331 -15.563 1.00 0.00 O ATOM 231 CB VAL A 103 23.924 -9.984 -14.702 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.596 -10.923 -13.693 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.173 -8.900 -13.938 1.00 0.00 C ATOM 0 H VAL A 103 23.341 -8.896 -16.839 1.00 0.00 H new ATOM 0 HA VAL A 103 25.481 -8.551 -15.034 1.00 0.00 H new ATOM 0 HB VAL A 103 23.233 -10.553 -15.324 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.836 -11.378 -13.058 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.138 -11.704 -14.227 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.293 -10.356 -13.076 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.422 -9.361 -13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.875 -8.333 -13.326 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.684 -8.229 -14.644 1.00 0.00 H new ATOM 243 N ILE A 104 25.652 -11.255 -16.970 1.00 0.00 N ATOM 244 CA ILE A 104 26.567 -12.272 -17.477 1.00 0.00 C ATOM 245 C ILE A 104 27.860 -11.604 -17.956 1.00 0.00 C ATOM 246 O ILE A 104 28.954 -12.044 -17.607 1.00 0.00 O ATOM 247 CB ILE A 104 25.889 -13.045 -18.625 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.834 -14.008 -18.060 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.945 -13.836 -19.415 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.901 -14.487 -19.180 1.00 0.00 C ATOM 0 H ILE A 104 24.718 -11.293 -17.377 1.00 0.00 H new ATOM 0 HA ILE A 104 26.816 -12.977 -16.684 1.00 0.00 H new ATOM 0 HB ILE A 104 25.400 -12.334 -19.291 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.324 -14.863 -17.594 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.255 -13.510 -17.283 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.461 -14.381 -20.225 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.681 -13.147 -19.830 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.443 -14.542 -18.750 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.158 -15.169 -18.767 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.398 -13.629 -19.627 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.484 -15.004 -19.943 1.00 0.00 H new ATOM 262 N GLU A 105 27.726 -10.539 -18.760 1.00 0.00 N ATOM 263 CA GLU A 105 28.872 -9.820 -19.297 1.00 0.00 C ATOM 264 C GLU A 105 29.728 -9.250 -18.162 1.00 0.00 C ATOM 265 O GLU A 105 30.927 -9.519 -18.093 1.00 0.00 O ATOM 266 CB GLU A 105 28.374 -8.697 -20.215 1.00 0.00 C ATOM 267 CG GLU A 105 29.561 -8.021 -20.910 1.00 0.00 C ATOM 268 CD GLU A 105 29.113 -6.763 -21.641 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.303 -6.911 -22.580 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.588 -5.676 -21.245 1.00 0.00 O ATOM 0 H GLU A 105 26.824 -10.161 -19.050 1.00 0.00 H new ATOM 0 HA GLU A 105 29.494 -10.506 -19.872 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.689 -9.102 -20.960 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.816 -7.963 -19.634 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.323 -7.767 -20.173 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.018 -8.714 -21.616 1.00 0.00 H new ATOM 277 N LEU A 106 29.113 -8.456 -17.277 1.00 0.00 N ATOM 278 CA LEU A 106 29.829 -7.822 -16.177 1.00 0.00 C ATOM 279 C LEU A 106 30.506 -8.873 -15.292 1.00 0.00 C ATOM 280 O LEU A 106 31.600 -8.637 -14.791 1.00 0.00 O ATOM 281 CB LEU A 106 28.858 -6.963 -15.357 1.00 0.00 C ATOM 282 CG LEU A 106 28.341 -5.779 -16.194 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.248 -5.047 -15.411 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.484 -4.805 -16.500 1.00 0.00 C ATOM 0 H LEU A 106 28.117 -8.240 -17.307 1.00 0.00 H new ATOM 0 HA LEU A 106 30.609 -7.180 -16.586 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.019 -7.573 -15.022 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.359 -6.592 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 106 27.937 -6.157 -17.133 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.879 -4.207 -16.000 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.427 -5.734 -15.204 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.659 -4.678 -14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.104 -3.973 -17.092 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.899 -4.426 -15.566 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.263 -5.323 -17.059 1.00 0.00 H new ATOM 296 N VAL A 107 29.864 -10.030 -15.102 1.00 0.00 N ATOM 297 CA VAL A 107 30.431 -11.101 -14.292 1.00 0.00 C ATOM 298 C VAL A 107 31.638 -11.698 -15.013 1.00 0.00 C ATOM 299 O VAL A 107 32.649 -11.983 -14.389 1.00 0.00 O ATOM 300 CB VAL A 107 29.361 -12.170 -14.015 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.025 -13.471 -13.550 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.416 -11.672 -12.918 1.00 0.00 C ATOM 0 H VAL A 107 28.950 -10.244 -15.501 1.00 0.00 H new ATOM 0 HA VAL A 107 30.764 -10.704 -13.333 1.00 0.00 H new ATOM 0 HB VAL A 107 28.802 -12.358 -14.932 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.259 -14.222 -13.356 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.700 -13.833 -14.326 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.590 -13.285 -12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.657 -12.429 -12.721 1.00 0.00 H new ATOM 0 HG22 VAL A 107 28.984 -11.482 -12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 107 27.934 -10.751 -13.244 1.00 0.00 H new ATOM 312 N GLN A 108 31.535 -11.883 -16.329 1.00 0.00 N ATOM 313 CA GLN A 108 32.634 -12.424 -17.111 1.00 0.00 C ATOM 314 C GLN A 108 33.813 -11.442 -17.092 1.00 0.00 C ATOM 315 O GLN A 108 34.969 -11.857 -17.141 1.00 0.00 O ATOM 316 CB GLN A 108 32.152 -12.685 -18.543 1.00 0.00 C ATOM 317 CG GLN A 108 33.202 -13.494 -19.309 1.00 0.00 C ATOM 318 CD GLN A 108 32.672 -13.911 -20.677 1.00 0.00 C ATOM 319 OE1 GLN A 108 33.047 -13.333 -21.693 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.798 -14.918 -20.702 1.00 0.00 N ATOM 0 H GLN A 108 30.699 -11.664 -16.871 1.00 0.00 H new ATOM 0 HA GLN A 108 32.972 -13.367 -16.682 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.206 -13.226 -18.524 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.968 -11.739 -19.052 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.108 -12.900 -19.431 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.476 -14.379 -18.735 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.515 -15.369 -19.832 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.413 -15.237 -21.591 1.00 0.00 H new ATOM 329 N LYS A 109 33.509 -10.139 -17.020 1.00 0.00 N ATOM 330 CA LYS A 109 34.525 -9.098 -17.009 1.00 0.00 C ATOM 331 C LYS A 109 35.197 -9.006 -15.633 1.00 0.00 C ATOM 332 O LYS A 109 36.423 -8.968 -15.547 1.00 0.00 O ATOM 333 CB LYS A 109 33.865 -7.765 -17.386 1.00 0.00 C ATOM 334 CG LYS A 109 34.938 -6.737 -17.769 1.00 0.00 C ATOM 335 CD LYS A 109 34.283 -5.522 -18.444 1.00 0.00 C ATOM 336 CE LYS A 109 33.662 -4.592 -17.394 1.00 0.00 C ATOM 337 NZ LYS A 109 34.695 -3.788 -16.714 1.00 0.00 N ATOM 0 H LYS A 109 32.553 -9.786 -16.968 1.00 0.00 H new ATOM 0 HA LYS A 109 35.303 -9.338 -17.734 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.178 -7.913 -18.219 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.275 -7.392 -16.549 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.483 -6.420 -16.880 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.664 -7.191 -18.443 1.00 0.00 H new ATOM 0 HD2 LYS A 109 35.027 -4.977 -19.026 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.515 -5.857 -19.141 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.939 -3.931 -17.872 1.00 0.00 H new ATOM 0 HE3 LYS A 109 33.115 -5.183 -16.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 34.359 -3.520 -15.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 35.568 -4.347 -16.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 34.888 -2.930 -17.269 1.00 0.00 H new ATOM 351 N TYR A 110 34.392 -8.957 -14.561 1.00 0.00 N ATOM 352 CA TYR A 110 34.907 -8.834 -13.199 1.00 0.00 C ATOM 353 C TYR A 110 35.041 -10.211 -12.552 1.00 0.00 C ATOM 354 O TYR A 110 36.151 -10.668 -12.284 1.00 0.00 O ATOM 355 CB TYR A 110 33.957 -7.955 -12.375 1.00 0.00 C ATOM 356 CG TYR A 110 33.856 -6.528 -12.872 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.016 -5.745 -13.020 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.598 -5.981 -13.182 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.915 -4.422 -13.480 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.501 -4.660 -13.640 1.00 0.00 C ATOM 361 CZ TYR A 110 33.657 -3.881 -13.789 1.00 0.00 C ATOM 362 OH TYR A 110 33.561 -2.599 -14.245 1.00 0.00 O ATOM 0 H TYR A 110 33.375 -9.001 -14.618 1.00 0.00 H new ATOM 0 HA TYR A 110 35.894 -8.373 -13.231 1.00 0.00 H new ATOM 0 HB2 TYR A 110 32.964 -8.404 -12.383 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.294 -7.945 -11.338 1.00 0.00 H new ATOM 0 HD1 TYR A 110 35.983 -6.161 -12.780 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.706 -6.579 -13.067 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.805 -3.821 -13.596 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.534 -4.242 -13.878 1.00 0.00 H new ATOM 0 HH TYR A 110 32.676 -2.239 -14.026 1.00 0.00 H new ATOM 372 N GLY A 111 33.901 -10.854 -12.292 1.00 0.00 N ATOM 373 CA GLY A 111 33.853 -12.159 -11.652 1.00 0.00 C ATOM 374 C GLY A 111 32.566 -12.261 -10.835 1.00 0.00 C ATOM 375 O GLY A 111 31.775 -11.319 -10.817 1.00 0.00 O ATOM 0 H GLY A 111 32.982 -10.477 -12.523 1.00 0.00 H new ATOM 0 HA2 GLY A 111 33.887 -12.949 -12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 111 34.721 -12.295 -11.007 1.00 0.00 H new ATOM 379 N PRO A 112 32.353 -13.396 -10.144 1.00 0.00 N ATOM 380 CA PRO A 112 31.186 -13.603 -9.298 1.00 0.00 C ATOM 381 C PRO A 112 31.291 -12.782 -7.994 1.00 0.00 C ATOM 382 O PRO A 112 30.719 -13.161 -6.971 1.00 0.00 O ATOM 383 CB PRO A 112 31.168 -15.111 -9.012 1.00 0.00 C ATOM 384 CG PRO A 112 32.554 -15.645 -9.402 1.00 0.00 C ATOM 385 CD PRO A 112 33.253 -14.527 -10.180 1.00 0.00 C ATOM 0 HA PRO A 112 30.266 -13.272 -9.780 1.00 0.00 H new ATOM 0 HB2 PRO A 112 30.960 -15.304 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.386 -15.606 -9.587 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.127 -15.917 -8.516 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.465 -16.544 -10.012 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.212 -14.277 -9.727 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.455 -14.833 -11.207 1.00 0.00 H new ATOM 393 N LYS A 113 32.025 -11.659 -8.040 1.00 0.00 N ATOM 394 CA LYS A 113 32.221 -10.781 -6.896 1.00 0.00 C ATOM 395 C LYS A 113 32.158 -9.333 -7.392 1.00 0.00 C ATOM 396 O LYS A 113 31.707 -9.081 -8.508 1.00 0.00 O ATOM 397 CB LYS A 113 33.588 -11.073 -6.240 1.00 0.00 C ATOM 398 CG LYS A 113 33.694 -12.540 -5.787 1.00 0.00 C ATOM 399 CD LYS A 113 32.823 -12.777 -4.544 1.00 0.00 C ATOM 400 CE LYS A 113 32.820 -14.267 -4.183 1.00 0.00 C ATOM 401 NZ LYS A 113 34.166 -14.731 -3.797 1.00 0.00 N ATOM 0 H LYS A 113 32.500 -11.340 -8.884 1.00 0.00 H new ATOM 0 HA LYS A 113 31.446 -10.948 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.387 -10.851 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.729 -10.415 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 113 33.377 -13.201 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 113 34.732 -12.785 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 113 33.203 -12.192 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 113 31.804 -12.438 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 113 32.124 -14.443 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 113 32.463 -14.848 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.102 -15.690 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 34.782 -14.745 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 34.564 -14.086 -3.085 1.00 0.00 H new ATOM 415 N ARG A 114 32.615 -8.380 -6.565 1.00 0.00 N ATOM 416 CA ARG A 114 32.610 -6.967 -6.930 1.00 0.00 C ATOM 417 C ARG A 114 31.175 -6.530 -7.264 1.00 0.00 C ATOM 418 O ARG A 114 30.942 -5.767 -8.202 1.00 0.00 O ATOM 419 CB ARG A 114 33.576 -6.742 -8.116 1.00 0.00 C ATOM 420 CG ARG A 114 34.677 -5.759 -7.707 1.00 0.00 C ATOM 421 CD ARG A 114 35.508 -5.363 -8.935 1.00 0.00 C ATOM 422 NE ARG A 114 36.048 -6.543 -9.629 1.00 0.00 N ATOM 423 CZ ARG A 114 37.088 -7.265 -9.172 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.720 -6.908 -8.045 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.496 -8.348 -9.850 1.00 0.00 N ATOM 0 H ARG A 114 32.993 -8.570 -5.637 1.00 0.00 H new ATOM 0 HA ARG A 114 32.957 -6.356 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 114 34.018 -7.690 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.029 -6.353 -8.974 1.00 0.00 H new ATOM 0 HG2 ARG A 114 34.234 -4.871 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 114 35.320 -6.213 -6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.889 -4.787 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 114 36.328 -4.715 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 114 35.610 -6.830 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.414 -6.084 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.507 -7.460 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 114 37.019 -8.622 -10.709 1.00 0.00 H new ATOM 0 HH22 ARG A 114 38.284 -8.898 -9.507 1.00 0.00 H new ATOM 439 N TRP A 115 30.214 -7.024 -6.479 1.00 0.00 N ATOM 440 CA TRP A 115 28.808 -6.723 -6.688 1.00 0.00 C ATOM 441 C TRP A 115 28.535 -5.233 -6.494 1.00 0.00 C ATOM 442 O TRP A 115 27.567 -4.712 -7.037 1.00 0.00 O ATOM 443 CB TRP A 115 27.976 -7.590 -5.748 1.00 0.00 C ATOM 444 CG TRP A 115 28.111 -9.051 -6.037 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.641 -9.977 -5.219 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.751 -9.772 -7.253 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.646 -11.216 -5.817 1.00 0.00 N ATOM 448 CE2 TRP A 115 28.105 -11.147 -7.089 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.167 -9.404 -8.487 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.894 -12.098 -8.092 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.953 -10.360 -9.500 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.321 -11.700 -9.305 1.00 0.00 C ATOM 0 H TRP A 115 30.394 -7.640 -5.686 1.00 0.00 H new ATOM 0 HA TRP A 115 28.526 -6.955 -7.715 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.280 -7.398 -4.719 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.927 -7.303 -5.829 1.00 0.00 H new ATOM 0 HD1 TRP A 115 29.013 -9.775 -4.225 1.00 0.00 H new ATOM 0 HE1 TRP A 115 29.000 -12.068 -5.383 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.881 -8.376 -8.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 28.171 -13.130 -7.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.502 -10.059 -10.434 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.162 -12.424 -10.091 1.00 0.00 H new ATOM 463 N SER A 116 29.396 -4.541 -5.740 1.00 0.00 N ATOM 464 CA SER A 116 29.260 -3.106 -5.548 1.00 0.00 C ATOM 465 C SER A 116 29.527 -2.398 -6.880 1.00 0.00 C ATOM 466 O SER A 116 28.815 -1.467 -7.246 1.00 0.00 O ATOM 467 CB SER A 116 30.245 -2.639 -4.474 1.00 0.00 C ATOM 468 OG SER A 116 29.943 -3.273 -3.249 1.00 0.00 O ATOM 0 H SER A 116 30.191 -4.957 -5.256 1.00 0.00 H new ATOM 0 HA SER A 116 28.251 -2.863 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.266 -2.874 -4.775 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.188 -1.557 -4.359 1.00 0.00 H new ATOM 0 HG SER A 116 30.575 -2.975 -2.562 1.00 0.00 H new ATOM 474 N VAL A 117 30.558 -2.854 -7.604 1.00 0.00 N ATOM 475 CA VAL A 117 30.916 -2.286 -8.895 1.00 0.00 C ATOM 476 C VAL A 117 29.829 -2.617 -9.915 1.00 0.00 C ATOM 477 O VAL A 117 29.399 -1.745 -10.666 1.00 0.00 O ATOM 478 CB VAL A 117 32.286 -2.836 -9.326 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.592 -2.421 -10.765 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.370 -2.281 -8.397 1.00 0.00 C ATOM 0 H VAL A 117 31.159 -3.623 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 117 30.991 -1.201 -8.826 1.00 0.00 H new ATOM 0 HB VAL A 117 32.267 -3.924 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.564 -2.816 -11.059 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.824 -2.817 -11.429 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.606 -1.333 -10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.342 -2.669 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.379 -1.193 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.161 -2.586 -7.371 1.00 0.00 H new ATOM 490 N ILE A 118 29.379 -3.874 -9.934 1.00 0.00 N ATOM 491 CA ILE A 118 28.329 -4.301 -10.846 1.00 0.00 C ATOM 492 C ILE A 118 27.058 -3.480 -10.585 1.00 0.00 C ATOM 493 O ILE A 118 26.389 -3.058 -11.526 1.00 0.00 O ATOM 494 CB ILE A 118 28.083 -5.809 -10.666 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.301 -6.587 -11.199 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.825 -6.229 -11.439 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.330 -8.003 -10.623 1.00 0.00 C ATOM 0 H ILE A 118 29.730 -4.612 -9.324 1.00 0.00 H new ATOM 0 HA ILE A 118 28.630 -4.129 -11.879 1.00 0.00 H new ATOM 0 HB ILE A 118 27.940 -6.030 -9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.262 -6.632 -12.287 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.219 -6.062 -10.934 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.657 -7.298 -11.307 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.964 -5.677 -11.061 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.959 -6.011 -12.498 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.198 -8.536 -11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.392 -7.952 -9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.421 -8.531 -10.910 1.00 0.00 H new ATOM 509 N ALA A 119 26.731 -3.251 -9.306 1.00 0.00 N ATOM 510 CA ALA A 119 25.551 -2.483 -8.930 1.00 0.00 C ATOM 511 C ALA A 119 25.662 -1.041 -9.433 1.00 0.00 C ATOM 512 O ALA A 119 24.675 -0.477 -9.901 1.00 0.00 O ATOM 513 CB ALA A 119 25.390 -2.511 -7.411 1.00 0.00 C ATOM 0 H ALA A 119 27.276 -3.592 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 119 24.671 -2.932 -9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.508 -1.937 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.275 -3.542 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.272 -2.074 -6.943 1.00 0.00 H new ATOM 519 N LYS A 120 26.862 -0.443 -9.341 1.00 0.00 N ATOM 520 CA LYS A 120 27.075 0.928 -9.803 1.00 0.00 C ATOM 521 C LYS A 120 26.746 1.043 -11.295 1.00 0.00 C ATOM 522 O LYS A 120 26.405 2.126 -11.767 1.00 0.00 O ATOM 523 CB LYS A 120 28.521 1.358 -9.529 1.00 0.00 C ATOM 524 CG LYS A 120 28.653 1.834 -8.076 1.00 0.00 C ATOM 525 CD LYS A 120 30.005 2.527 -7.865 1.00 0.00 C ATOM 526 CE LYS A 120 31.146 1.514 -7.999 1.00 0.00 C ATOM 527 NZ LYS A 120 32.439 2.125 -7.641 1.00 0.00 N ATOM 0 H LYS A 120 27.692 -0.890 -8.952 1.00 0.00 H new ATOM 0 HA LYS A 120 26.408 1.594 -9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.199 0.524 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.808 2.158 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.842 2.522 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.562 0.985 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.130 3.326 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.034 2.990 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 120 30.954 0.657 -7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.187 1.140 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 33.196 1.419 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 32.630 2.928 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.404 2.460 -6.657 1.00 0.00 H new ATOM 541 N HIS A 121 26.841 -0.072 -12.033 1.00 0.00 N ATOM 542 CA HIS A 121 26.523 -0.086 -13.450 1.00 0.00 C ATOM 543 C HIS A 121 25.026 -0.321 -13.610 1.00 0.00 C ATOM 544 O HIS A 121 24.355 0.407 -14.342 1.00 0.00 O ATOM 545 CB HIS A 121 27.331 -1.183 -14.148 1.00 0.00 C ATOM 546 CG HIS A 121 28.804 -1.098 -13.845 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.462 0.108 -13.635 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.774 -2.055 -13.702 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.752 -0.190 -13.387 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.011 -1.498 -13.417 1.00 0.00 N ATOM 0 H HIS A 121 27.138 -0.974 -11.661 1.00 0.00 H new ATOM 0 HA HIS A 121 26.784 0.868 -13.909 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.956 -2.158 -13.838 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.180 -1.111 -15.225 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.048 1.040 -13.663 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.596 -3.116 -13.800 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.504 0.558 -13.184 1.00 0.00 H new ATOM 558 N LEU A 122 24.503 -1.336 -12.909 1.00 0.00 N ATOM 559 CA LEU A 122 23.085 -1.652 -12.944 1.00 0.00 C ATOM 560 C LEU A 122 22.348 -0.746 -11.959 1.00 0.00 C ATOM 561 O LEU A 122 21.763 -1.222 -10.986 1.00 0.00 O ATOM 562 CB LEU A 122 22.875 -3.133 -12.591 1.00 0.00 C ATOM 563 CG LEU A 122 23.635 -4.038 -13.574 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.389 -5.501 -13.209 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.153 -3.791 -15.005 1.00 0.00 C ATOM 0 H LEU A 122 25.053 -1.951 -12.309 1.00 0.00 H new ATOM 0 HA LEU A 122 22.688 -1.481 -13.945 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.219 -3.322 -11.574 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.812 -3.371 -12.617 1.00 0.00 H new ATOM 0 HG LEU A 122 24.699 -3.811 -13.512 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.927 -6.145 -13.905 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.742 -5.687 -12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.322 -5.716 -13.267 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.700 -4.439 -15.690 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.087 -4.009 -15.073 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.328 -2.749 -15.273 1.00 0.00 H new ATOM 577 N LYS A 123 22.385 0.568 -12.220 1.00 0.00 N ATOM 578 CA LYS A 123 21.745 1.554 -11.362 1.00 0.00 C ATOM 579 C LYS A 123 20.275 1.191 -11.161 1.00 0.00 C ATOM 580 O LYS A 123 19.505 1.153 -12.120 1.00 0.00 O ATOM 581 CB LYS A 123 21.888 2.943 -11.992 1.00 0.00 C ATOM 582 CG LYS A 123 23.369 3.333 -12.049 1.00 0.00 C ATOM 583 CD LYS A 123 23.511 4.746 -12.616 1.00 0.00 C ATOM 584 CE LYS A 123 24.996 5.110 -12.709 1.00 0.00 C ATOM 585 NZ LYS A 123 25.176 6.460 -13.273 1.00 0.00 N ATOM 0 H LYS A 123 22.859 0.968 -13.030 1.00 0.00 H new ATOM 0 HA LYS A 123 22.228 1.563 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.463 2.943 -12.996 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.331 3.677 -11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.806 3.286 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.917 2.625 -12.671 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.049 4.802 -13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.990 5.460 -11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.448 5.063 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.514 4.380 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.191 6.682 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.764 6.495 -14.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.700 7.157 -12.665 1.00 0.00 H new ATOM 599 N GLY A 124 19.899 0.917 -9.905 1.00 0.00 N ATOM 600 CA GLY A 124 18.542 0.522 -9.556 1.00 0.00 C ATOM 601 C GLY A 124 18.579 -0.802 -8.799 1.00 0.00 C ATOM 602 O GLY A 124 17.790 -1.017 -7.881 1.00 0.00 O ATOM 0 H GLY A 124 20.533 0.965 -9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.074 1.292 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.937 0.422 -10.457 1.00 0.00 H new ATOM 606 N ARG A 125 19.508 -1.685 -9.191 1.00 0.00 N ATOM 607 CA ARG A 125 19.677 -2.983 -8.558 1.00 0.00 C ATOM 608 C ARG A 125 20.905 -2.940 -7.655 1.00 0.00 C ATOM 609 O ARG A 125 22.029 -2.808 -8.136 1.00 0.00 O ATOM 610 CB ARG A 125 19.834 -4.051 -9.641 1.00 0.00 C ATOM 611 CG ARG A 125 18.459 -4.422 -10.208 1.00 0.00 C ATOM 612 CD ARG A 125 17.864 -5.567 -9.377 1.00 0.00 C ATOM 613 NE ARG A 125 16.448 -5.811 -9.684 1.00 0.00 N ATOM 614 CZ ARG A 125 15.997 -6.182 -10.894 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.852 -6.417 -11.887 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.684 -6.320 -11.101 1.00 0.00 N ATOM 0 H ARG A 125 20.159 -1.511 -9.957 1.00 0.00 H new ATOM 0 HA ARG A 125 18.805 -3.228 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.479 -3.681 -10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.317 -4.935 -9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.797 -3.557 -10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.552 -4.724 -11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.434 -6.478 -9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.967 -5.334 -8.317 1.00 0.00 H new ATOM 0 HE ARG A 125 15.767 -5.692 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.855 -6.316 -11.731 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.504 -6.698 -12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.027 -6.144 -10.341 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.339 -6.602 -12.019 1.00 0.00 H new ATOM 630 N ILE A 126 20.684 -3.047 -6.342 1.00 0.00 N ATOM 631 CA ILE A 126 21.766 -3.003 -5.367 1.00 0.00 C ATOM 632 C ILE A 126 22.616 -4.276 -5.456 1.00 0.00 C ATOM 633 O ILE A 126 22.226 -5.251 -6.100 1.00 0.00 O ATOM 634 CB ILE A 126 21.185 -2.816 -3.953 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.212 -3.960 -3.618 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.454 -1.470 -3.877 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.779 -3.869 -2.153 1.00 0.00 C ATOM 0 H ILE A 126 19.757 -3.165 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 126 22.415 -2.155 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 126 21.999 -2.830 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.338 -3.907 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.690 -4.921 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.042 -1.336 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.154 -0.663 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.645 -1.453 -4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.091 -4.683 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.655 -3.945 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.282 -2.914 -1.979 1.00 0.00 H new ATOM 649 N GLY A 127 23.786 -4.252 -4.802 1.00 0.00 N ATOM 650 CA GLY A 127 24.716 -5.375 -4.810 1.00 0.00 C ATOM 651 C GLY A 127 24.026 -6.671 -4.389 1.00 0.00 C ATOM 652 O GLY A 127 24.288 -7.722 -4.966 1.00 0.00 O ATOM 0 H GLY A 127 24.108 -3.453 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.138 -5.493 -5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.546 -5.167 -4.135 1.00 0.00 H new ATOM 656 N LYS A 128 23.144 -6.596 -3.384 1.00 0.00 N ATOM 657 CA LYS A 128 22.431 -7.768 -2.894 1.00 0.00 C ATOM 658 C LYS A 128 21.631 -8.411 -4.030 1.00 0.00 C ATOM 659 O LYS A 128 21.632 -9.629 -4.171 1.00 0.00 O ATOM 660 CB LYS A 128 21.504 -7.352 -1.746 1.00 0.00 C ATOM 661 CG LYS A 128 20.837 -8.592 -1.138 1.00 0.00 C ATOM 662 CD LYS A 128 19.920 -8.170 0.012 1.00 0.00 C ATOM 663 CE LYS A 128 19.210 -9.402 0.580 1.00 0.00 C ATOM 664 NZ LYS A 128 18.314 -9.033 1.691 1.00 0.00 N ATOM 0 H LYS A 128 22.911 -5.730 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 128 23.146 -8.503 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.073 -6.823 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.744 -6.662 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.263 -9.119 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.596 -9.285 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.501 -7.680 0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.186 -7.445 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.636 -9.890 -0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.949 -10.123 0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.846 -9.886 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.868 -8.589 2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.595 -8.363 1.350 1.00 0.00 H new ATOM 678 N GLN A 129 20.949 -7.586 -4.832 1.00 0.00 N ATOM 679 CA GLN A 129 20.133 -8.072 -5.935 1.00 0.00 C ATOM 680 C GLN A 129 21.019 -8.670 -7.025 1.00 0.00 C ATOM 681 O GLN A 129 20.748 -9.767 -7.511 1.00 0.00 O ATOM 682 CB GLN A 129 19.301 -6.913 -6.496 1.00 0.00 C ATOM 683 CG GLN A 129 17.861 -7.005 -5.986 1.00 0.00 C ATOM 684 CD GLN A 129 17.117 -8.153 -6.665 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.724 -8.045 -7.823 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.930 -9.250 -5.943 1.00 0.00 N ATOM 0 H GLN A 129 20.951 -6.571 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 129 19.464 -8.853 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.741 -5.961 -6.197 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.312 -6.941 -7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.862 -7.154 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.342 -6.066 -6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.274 -9.294 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 129 16.442 -10.049 -6.347 1.00 0.00 H new ATOM 695 N CYS A 130 22.074 -7.947 -7.410 1.00 0.00 N ATOM 696 CA CYS A 130 22.997 -8.415 -8.437 1.00 0.00 C ATOM 697 C CYS A 130 23.560 -9.777 -8.033 1.00 0.00 C ATOM 698 O CYS A 130 23.607 -10.702 -8.843 1.00 0.00 O ATOM 699 CB CYS A 130 24.128 -7.397 -8.618 1.00 0.00 C ATOM 700 SG CYS A 130 23.432 -5.816 -9.164 1.00 0.00 S ATOM 0 H CYS A 130 22.307 -7.033 -7.022 1.00 0.00 H new ATOM 0 HA CYS A 130 22.469 -8.520 -9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.667 -7.265 -7.680 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.848 -7.763 -9.351 1.00 0.00 H new ATOM 0 HG CYS A 130 22.844 -5.232 -8.163 1.00 0.00 H new ATOM 706 N ARG A 131 23.981 -9.890 -6.768 1.00 0.00 N ATOM 707 CA ARG A 131 24.528 -11.123 -6.233 1.00 0.00 C ATOM 708 C ARG A 131 23.459 -12.214 -6.253 1.00 0.00 C ATOM 709 O ARG A 131 23.715 -13.317 -6.717 1.00 0.00 O ATOM 710 CB ARG A 131 25.030 -10.858 -4.804 1.00 0.00 C ATOM 711 CG ARG A 131 25.816 -12.065 -4.272 1.00 0.00 C ATOM 712 CD ARG A 131 24.894 -12.982 -3.460 1.00 0.00 C ATOM 713 NE ARG A 131 25.634 -14.132 -2.930 1.00 0.00 N ATOM 714 CZ ARG A 131 25.038 -15.159 -2.301 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.708 -15.166 -2.133 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.774 -16.179 -1.841 1.00 0.00 N ATOM 0 H ARG A 131 23.948 -9.125 -6.094 1.00 0.00 H new ATOM 0 HA ARG A 131 25.364 -11.466 -6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.665 -9.972 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 131 24.184 -10.651 -4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 131 26.252 -12.619 -5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.642 -11.724 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.449 -12.421 -2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.075 -13.330 -4.089 1.00 0.00 H new ATOM 0 HE ARG A 131 26.647 -14.153 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 131 23.146 -14.390 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 131 23.258 -15.947 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.786 -16.176 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 131 25.323 -16.959 -1.363 1.00 0.00 H new ATOM 730 N GLU A 132 22.263 -11.895 -5.744 1.00 0.00 N ATOM 731 CA GLU A 132 21.152 -12.837 -5.683 1.00 0.00 C ATOM 732 C GLU A 132 20.917 -13.474 -7.048 1.00 0.00 C ATOM 733 O GLU A 132 20.989 -14.692 -7.175 1.00 0.00 O ATOM 734 CB GLU A 132 19.899 -12.087 -5.202 1.00 0.00 C ATOM 735 CG GLU A 132 18.691 -13.026 -5.134 1.00 0.00 C ATOM 736 CD GLU A 132 17.404 -12.222 -5.007 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.128 -11.764 -3.877 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.721 -12.073 -6.046 1.00 0.00 O ATOM 0 H GLU A 132 22.044 -10.974 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 132 21.384 -13.640 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.084 -11.655 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.684 -11.260 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.653 -13.647 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.793 -13.700 -4.283 1.00 0.00 H new ATOM 745 N ARG A 133 20.632 -12.649 -8.064 1.00 0.00 N ATOM 746 CA ARG A 133 20.351 -13.137 -9.410 1.00 0.00 C ATOM 747 C ARG A 133 21.360 -14.206 -9.818 1.00 0.00 C ATOM 748 O ARG A 133 20.984 -15.229 -10.394 1.00 0.00 O ATOM 749 CB ARG A 133 20.395 -11.959 -10.396 1.00 0.00 C ATOM 750 CG ARG A 133 19.922 -12.398 -11.793 1.00 0.00 C ATOM 751 CD ARG A 133 18.450 -12.816 -11.750 1.00 0.00 C ATOM 752 NE ARG A 133 17.911 -12.976 -13.106 1.00 0.00 N ATOM 753 CZ ARG A 133 16.668 -13.418 -13.355 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.820 -13.626 -12.345 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.277 -13.648 -14.611 1.00 0.00 N ATOM 0 H ARG A 133 20.591 -11.634 -7.972 1.00 0.00 H new ATOM 0 HA ARG A 133 19.358 -13.587 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.763 -11.149 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.411 -11.568 -10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 133 20.054 -11.581 -12.502 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.533 -13.229 -12.146 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.350 -13.753 -11.202 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.871 -12.067 -11.210 1.00 0.00 H new ATOM 0 HE ARG A 133 18.510 -12.740 -13.897 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.117 -13.449 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.875 -13.962 -12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.923 -13.488 -15.384 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.332 -13.984 -14.798 1.00 0.00 H new ATOM 769 N TRP A 134 22.641 -13.966 -9.529 1.00 0.00 N ATOM 770 CA TRP A 134 23.689 -14.883 -9.914 1.00 0.00 C ATOM 771 C TRP A 134 23.728 -16.113 -9.004 1.00 0.00 C ATOM 772 O TRP A 134 23.916 -17.226 -9.482 1.00 0.00 O ATOM 773 CB TRP A 134 25.036 -14.163 -9.904 1.00 0.00 C ATOM 774 CG TRP A 134 26.037 -14.821 -10.786 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.120 -15.507 -10.385 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.028 -14.915 -12.236 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.785 -16.040 -11.462 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.142 -15.710 -12.645 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.179 -14.425 -13.257 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.387 -16.012 -13.985 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.423 -14.723 -14.602 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.515 -15.523 -14.970 1.00 0.00 C ATOM 0 H TRP A 134 22.967 -13.139 -9.028 1.00 0.00 H new ATOM 0 HA TRP A 134 23.477 -15.235 -10.924 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.896 -13.131 -10.225 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.420 -14.130 -8.884 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.426 -15.624 -9.356 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.635 -16.601 -11.400 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.330 -13.812 -12.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.239 -16.616 -14.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.764 -14.333 -15.364 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.684 -15.762 -16.009 1.00 0.00 H new ATOM 793 N HIS A 135 23.562 -15.922 -7.694 1.00 0.00 N ATOM 794 CA HIS A 135 23.629 -17.026 -6.743 1.00 0.00 C ATOM 795 C HIS A 135 22.257 -17.692 -6.577 1.00 0.00 C ATOM 796 O HIS A 135 21.942 -18.207 -5.505 1.00 0.00 O ATOM 797 CB HIS A 135 24.177 -16.506 -5.413 1.00 0.00 C ATOM 798 CG HIS A 135 25.654 -16.209 -5.495 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.620 -17.054 -4.958 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.365 -15.179 -6.059 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.817 -16.492 -5.220 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.730 -15.343 -5.890 1.00 0.00 N ATOM 0 H HIS A 135 23.380 -15.012 -7.270 1.00 0.00 H new ATOM 0 HA HIS A 135 24.304 -17.794 -7.121 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.640 -15.602 -5.127 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.997 -17.245 -4.632 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.915 -14.342 -6.572 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.756 -16.931 -4.916 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.485 -14.733 -6.202 1.00 0.00 H new ATOM 810 N ASN A 136 21.454 -17.694 -7.651 1.00 0.00 N ATOM 811 CA ASN A 136 20.157 -18.361 -7.667 1.00 0.00 C ATOM 812 C ASN A 136 20.096 -19.291 -8.863 1.00 0.00 C ATOM 813 O ASN A 136 20.288 -20.498 -8.732 1.00 0.00 O ATOM 814 CB ASN A 136 19.025 -17.330 -7.760 1.00 0.00 C ATOM 815 CG ASN A 136 18.547 -16.925 -6.386 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.421 -17.227 -5.999 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.399 -16.244 -5.649 1.00 0.00 N ATOM 0 H ASN A 136 21.691 -17.232 -8.529 1.00 0.00 H new ATOM 0 HA ASN A 136 20.035 -18.929 -6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.373 -16.450 -8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.194 -17.747 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.135 -15.943 -4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.323 -16.018 -6.016 1.00 0.00 H new ATOM 824 N HIS A 137 19.814 -18.710 -10.028 1.00 0.00 N ATOM 825 CA HIS A 137 19.668 -19.472 -11.270 1.00 0.00 C ATOM 826 C HIS A 137 20.950 -19.407 -12.109 1.00 0.00 C ATOM 827 O HIS A 137 21.590 -20.433 -12.336 1.00 0.00 O ATOM 828 CB HIS A 137 18.460 -18.951 -12.077 1.00 0.00 C ATOM 829 CG HIS A 137 17.688 -17.862 -11.377 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.614 -18.124 -10.534 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.811 -16.498 -11.379 1.00 0.00 C ATOM 832 CE1 HIS A 137 16.169 -16.931 -10.091 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.859 -15.895 -10.570 1.00 0.00 N ATOM 0 H HIS A 137 19.681 -17.705 -10.139 1.00 0.00 H new ATOM 0 HA HIS A 137 19.491 -20.516 -11.013 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.811 -18.575 -13.038 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.788 -19.783 -12.287 1.00 0.00 H new ATOM 0 HD1 HIS A 137 16.236 -19.041 -10.297 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.558 -15.958 -11.942 1.00 0.00 H new ATOM 0 HE1 HIS A 137 15.334 -16.825 -9.414 1.00 0.00 H new ATOM 841 N LEU A 138 21.316 -18.208 -12.584 1.00 0.00 N ATOM 842 CA LEU A 138 22.486 -18.040 -13.439 1.00 0.00 C ATOM 843 C LEU A 138 23.768 -18.186 -12.630 1.00 0.00 C ATOM 844 O LEU A 138 24.296 -17.195 -12.145 1.00 0.00 O ATOM 845 CB LEU A 138 22.458 -16.653 -14.099 1.00 0.00 C ATOM 846 CG LEU A 138 21.529 -16.644 -15.317 1.00 0.00 C ATOM 847 CD1 LEU A 138 20.129 -16.202 -14.901 1.00 0.00 C ATOM 848 CD2 LEU A 138 22.074 -15.666 -16.356 1.00 0.00 C ATOM 0 H LEU A 138 20.814 -17.342 -12.387 1.00 0.00 H new ATOM 0 HA LEU A 138 22.462 -18.813 -14.207 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.123 -15.909 -13.376 1.00 0.00 H new ATOM 0 HB3 LEU A 138 23.466 -16.371 -14.404 1.00 0.00 H new ATOM 0 HG LEU A 138 21.479 -17.648 -15.738 1.00 0.00 H new ATOM 0 HD11 LEU A 138 19.475 -16.198 -15.773 1.00 0.00 H new ATOM 0 HD12 LEU A 138 19.736 -16.893 -14.155 1.00 0.00 H new ATOM 0 HD13 LEU A 138 20.175 -15.199 -14.478 1.00 0.00 H new ATOM 0 HD21 LEU A 138 21.417 -15.655 -17.226 1.00 0.00 H new ATOM 0 HD22 LEU A 138 22.122 -14.666 -15.925 1.00 0.00 H new ATOM 0 HD23 LEU A 138 23.073 -15.978 -16.660 1.00 0.00 H new ATOM 860 N ASN A 139 24.282 -19.414 -12.495 1.00 0.00 N ATOM 861 CA ASN A 139 25.528 -19.638 -11.777 1.00 0.00 C ATOM 862 C ASN A 139 26.433 -20.631 -12.526 1.00 0.00 C ATOM 863 O ASN A 139 26.900 -21.600 -11.932 1.00 0.00 O ATOM 864 CB ASN A 139 25.205 -20.133 -10.364 1.00 0.00 C ATOM 865 CG ASN A 139 26.350 -19.825 -9.403 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.172 -20.688 -9.110 1.00 0.00 O ATOM 867 ND2 ASN A 139 26.398 -18.586 -8.911 1.00 0.00 N ATOM 0 H ASN A 139 23.853 -20.259 -12.873 1.00 0.00 H new ATOM 0 HA ASN A 139 26.079 -18.700 -11.711 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.290 -19.659 -10.009 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.021 -21.207 -10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 139 27.140 -18.323 -8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 139 25.692 -17.901 -9.183 1.00 0.00 H new ATOM 874 N PRO A 140 26.706 -20.390 -13.832 1.00 0.00 N ATOM 875 CA PRO A 140 27.608 -21.227 -14.600 1.00 0.00 C ATOM 876 C PRO A 140 29.009 -21.150 -14.000 1.00 0.00 C ATOM 877 O PRO A 140 29.656 -22.176 -13.787 1.00 0.00 O ATOM 878 CB PRO A 140 27.587 -20.663 -16.024 1.00 0.00 C ATOM 879 CG PRO A 140 26.871 -19.311 -15.944 1.00 0.00 C ATOM 880 CD PRO A 140 26.157 -19.284 -14.594 1.00 0.00 C ATOM 0 HA PRO A 140 27.310 -22.276 -14.593 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.600 -20.544 -16.409 1.00 0.00 H new ATOM 0 HB3 PRO A 140 27.066 -21.339 -16.702 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.582 -18.489 -16.024 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.160 -19.198 -16.762 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.324 -18.336 -14.083 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.080 -19.393 -14.720 1.00 0.00 H new ATOM 888 N GLU A 141 29.469 -19.921 -13.726 1.00 0.00 N ATOM 889 CA GLU A 141 30.782 -19.686 -13.149 1.00 0.00 C ATOM 890 C GLU A 141 30.734 -19.960 -11.644 1.00 0.00 C ATOM 891 O GLU A 141 30.939 -19.063 -10.835 1.00 0.00 O ATOM 892 CB GLU A 141 31.207 -18.233 -13.427 1.00 0.00 C ATOM 893 CG GLU A 141 31.112 -17.922 -14.928 1.00 0.00 C ATOM 894 CD GLU A 141 31.958 -18.888 -15.749 1.00 0.00 C ATOM 895 OE1 GLU A 141 33.199 -18.771 -15.661 1.00 0.00 O ATOM 896 OE2 GLU A 141 31.347 -19.724 -16.449 1.00 0.00 O ATOM 0 H GLU A 141 28.936 -19.069 -13.901 1.00 0.00 H new ATOM 0 HA GLU A 141 31.514 -20.356 -13.600 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.570 -17.548 -12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.228 -18.074 -13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 141 30.072 -17.983 -15.249 1.00 0.00 H new ATOM 0 HG3 GLU A 141 31.443 -16.900 -15.111 1.00 0.00 H new HETATM 903 N NH2 A 142 30.462 -21.204 -11.271 1.00 0.00 N TER 906 NH2 A 142