USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0172 K(o=-0.017,f=-0.93) USER MOD Single : A 30 CYS SG : rot -61:sc= -6.24! USER MOD Single : A 33 SER OG : rot 8:sc= 0.46! USER MOD Single : A 40 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.041) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -79:sc= 0.0107 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= -0.124 (180deg=-1.32) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -28:sc= 0.11 USER MOD Single : A 62 MET CE :methyl -131:sc= -0.11 (180deg=-0.782) USER MOD Single : A 64 MET CE :methyl 151:sc= 0 (180deg=-0.322) USER MOD Single : A 71 SER OG : rot 31:sc= 1.02 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 0:sc= -0.086 USER MOD Single : A 80 CYS SG : rot 23:sc= -2 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -90:sc= -0.0193 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.518 20.122 -1.201 1.00 0.00 N ATOM 81 CA ALA A 9 4.791 18.704 -1.399 1.00 0.00 C ATOM 82 C ALA A 9 3.506 17.931 -1.675 1.00 0.00 C ATOM 83 O ALA A 9 3.274 16.868 -1.100 1.00 0.00 O ATOM 84 CB ALA A 9 5.504 18.130 -0.183 1.00 0.00 C ATOM 0 HA ALA A 9 5.439 18.602 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.702 17.070 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.446 18.656 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.875 18.252 0.699 1.00 0.00 H new ATOM 90 N ALA A 10 2.674 18.472 -2.559 1.00 0.00 N ATOM 91 CA ALA A 10 1.413 17.832 -2.912 1.00 0.00 C ATOM 92 C ALA A 10 1.650 16.568 -3.732 1.00 0.00 C ATOM 93 O ALA A 10 2.768 16.306 -4.178 1.00 0.00 O ATOM 94 CB ALA A 10 0.525 18.801 -3.679 1.00 0.00 C ATOM 0 H ALA A 10 2.851 19.352 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 10 0.908 17.547 -1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.413 18.309 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.319 19.674 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.032 19.115 -4.591 1.00 0.00 H new ATOM 100 N ILE A 11 0.592 15.787 -3.925 1.00 0.00 N ATOM 101 CA ILE A 11 0.686 14.550 -4.692 1.00 0.00 C ATOM 102 C ILE A 11 0.212 14.755 -6.126 1.00 0.00 C ATOM 103 O ILE A 11 -0.894 15.241 -6.361 1.00 0.00 O ATOM 104 CB ILE A 11 -0.141 13.423 -4.045 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.298 13.206 -2.596 1.00 0.00 C ATOM 106 CG2 ILE A 11 0.000 12.137 -4.846 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.760 12.548 -1.737 1.00 0.00 C ATOM 0 H ILE A 11 -0.339 15.988 -3.561 1.00 0.00 H new ATOM 0 HA ILE A 11 1.737 14.261 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.191 13.716 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.198 12.591 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.564 14.168 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.590 11.350 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.357 12.301 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.048 11.838 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.380 12.425 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.653 13.173 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.010 11.571 -2.152 1.00 0.00 H new ATOM 119 N ILE A 12 1.056 14.380 -7.082 1.00 0.00 N ATOM 120 CA ILE A 12 0.722 14.520 -8.493 1.00 0.00 C ATOM 121 C ILE A 12 0.281 13.188 -9.089 1.00 0.00 C ATOM 122 O ILE A 12 -0.618 13.137 -9.929 1.00 0.00 O ATOM 123 CB ILE A 12 1.915 15.061 -9.303 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.232 14.543 -8.721 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.899 16.583 -9.319 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.770 15.394 -7.592 1.00 0.00 C ATOM 0 H ILE A 12 1.976 13.977 -6.904 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.101 15.232 -8.553 1.00 0.00 H new ATOM 0 HB ILE A 12 1.828 14.706 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.085 13.525 -8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.977 14.495 -9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.748 16.950 -9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.973 16.932 -9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.964 16.958 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.705 14.967 -7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.950 16.407 -7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.044 15.422 -6.780 1.00 0.00 H new ATOM 138 N LYS A 13 0.917 12.109 -8.646 1.00 0.00 N ATOM 139 CA LYS A 13 0.589 10.773 -9.132 1.00 0.00 C ATOM 140 C LYS A 13 -0.190 9.989 -8.081 1.00 0.00 C ATOM 141 O LYS A 13 0.380 9.385 -7.173 1.00 0.00 O ATOM 142 CB LYS A 13 1.866 10.016 -9.506 1.00 0.00 C ATOM 143 CG LYS A 13 2.599 10.611 -10.695 1.00 0.00 C ATOM 144 CD LYS A 13 3.729 9.708 -11.162 1.00 0.00 C ATOM 145 CE LYS A 13 4.123 10.007 -12.600 1.00 0.00 C ATOM 146 NZ LYS A 13 5.152 9.056 -13.103 1.00 0.00 N ATOM 0 H LYS A 13 1.663 12.133 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.036 10.879 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.536 10.003 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.612 8.979 -9.728 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.897 10.770 -11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.000 11.588 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.594 9.840 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.422 8.666 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.240 9.956 -13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.506 11.025 -12.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.393 9.294 -14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.005 9.122 -12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.778 8.087 -13.063 1.00 0.00 H new ATOM 160 N PRO A 14 -1.526 9.995 -8.207 1.00 0.00 N ATOM 161 CA PRO A 14 -2.412 9.287 -7.279 1.00 0.00 C ATOM 162 C PRO A 14 -2.308 7.772 -7.420 1.00 0.00 C ATOM 163 O PRO A 14 -1.900 7.262 -8.464 1.00 0.00 O ATOM 164 CB PRO A 14 -3.808 9.767 -7.685 1.00 0.00 C ATOM 165 CG PRO A 14 -3.672 10.162 -9.115 1.00 0.00 C ATOM 166 CD PRO A 14 -2.274 10.694 -9.266 1.00 0.00 C ATOM 0 HA PRO A 14 -2.161 9.494 -6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.550 8.978 -7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.132 10.608 -7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.838 9.309 -9.773 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.409 10.919 -9.383 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.867 10.479 -10.254 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.239 11.776 -9.135 1.00 0.00 H new ATOM 174 N LEU A 15 -2.680 7.058 -6.363 1.00 0.00 N ATOM 175 CA LEU A 15 -2.629 5.600 -6.369 1.00 0.00 C ATOM 176 C LEU A 15 -3.635 5.024 -7.360 1.00 0.00 C ATOM 177 O LEU A 15 -4.400 5.761 -7.981 1.00 0.00 O ATOM 178 CB LEU A 15 -2.906 5.054 -4.967 1.00 0.00 C ATOM 179 CG LEU A 15 -2.044 5.626 -3.842 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.794 5.582 -2.520 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.730 4.866 -3.737 1.00 0.00 C ATOM 0 H LEU A 15 -3.020 7.465 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.629 5.297 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.953 5.241 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.771 3.973 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.821 6.667 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.165 5.993 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.707 6.172 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.048 4.550 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.129 5.287 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.933 3.816 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.185 4.950 -4.677 1.00 0.00 H new ATOM 193 N GLU A 16 -3.630 3.702 -7.500 1.00 0.00 N ATOM 194 CA GLU A 16 -4.544 3.028 -8.415 1.00 0.00 C ATOM 195 C GLU A 16 -5.031 1.708 -7.823 1.00 0.00 C ATOM 196 O GLU A 16 -4.354 1.101 -6.993 1.00 0.00 O ATOM 197 CB GLU A 16 -3.860 2.775 -9.760 1.00 0.00 C ATOM 198 CG GLU A 16 -3.594 4.042 -10.556 1.00 0.00 C ATOM 199 CD GLU A 16 -2.987 3.760 -11.916 1.00 0.00 C ATOM 200 OE1 GLU A 16 -1.847 3.251 -11.963 1.00 0.00 O ATOM 201 OE2 GLU A 16 -3.651 4.048 -12.934 1.00 0.00 O ATOM 0 H GLU A 16 -3.004 3.077 -6.992 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.406 3.677 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.915 2.260 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.483 2.107 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.528 4.588 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.923 4.688 -9.990 1.00 0.00 H new ATOM 208 N ASP A 17 -6.208 1.271 -8.256 1.00 0.00 N ATOM 209 CA ASP A 17 -6.786 0.023 -7.771 1.00 0.00 C ATOM 210 C ASP A 17 -5.876 -1.158 -8.092 1.00 0.00 C ATOM 211 O ASP A 17 -5.471 -1.348 -9.238 1.00 0.00 O ATOM 212 CB ASP A 17 -8.167 -0.198 -8.389 1.00 0.00 C ATOM 213 CG ASP A 17 -9.181 0.827 -7.922 1.00 0.00 C ATOM 214 OD1 ASP A 17 -9.111 1.237 -6.745 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.046 1.220 -8.734 1.00 0.00 O ATOM 0 H ASP A 17 -6.781 1.762 -8.942 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.889 0.095 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.087 -0.156 -9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.520 -1.197 -8.134 1.00 0.00 H new ATOM 220 N GLN A 18 -5.559 -1.949 -7.071 1.00 0.00 N ATOM 221 CA GLN A 18 -4.695 -3.111 -7.245 1.00 0.00 C ATOM 222 C GLN A 18 -5.514 -4.397 -7.281 1.00 0.00 C ATOM 223 O GLN A 18 -6.583 -4.481 -6.676 1.00 0.00 O ATOM 224 CB GLN A 18 -3.664 -3.180 -6.118 1.00 0.00 C ATOM 225 CG GLN A 18 -2.727 -1.984 -6.076 1.00 0.00 C ATOM 226 CD GLN A 18 -1.737 -1.979 -7.225 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.335 -3.033 -7.718 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.339 -0.788 -7.658 1.00 0.00 N ATOM 0 H GLN A 18 -5.887 -1.806 -6.116 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.175 -3.006 -8.197 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.186 -3.256 -5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.074 -4.089 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.314 -1.066 -6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.182 -1.987 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.698 0.060 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.674 -0.722 -8.429 1.00 0.00 H new ATOM 237 N TRP A 19 -5.006 -5.396 -7.994 1.00 0.00 N ATOM 238 CA TRP A 19 -5.692 -6.678 -8.109 1.00 0.00 C ATOM 239 C TRP A 19 -4.733 -7.833 -7.842 1.00 0.00 C ATOM 240 O TRP A 19 -4.016 -8.278 -8.738 1.00 0.00 O ATOM 241 CB TRP A 19 -6.312 -6.825 -9.500 1.00 0.00 C ATOM 242 CG TRP A 19 -7.646 -6.155 -9.628 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.856 -6.656 -9.240 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.906 -4.862 -10.186 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.852 -5.753 -9.522 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.295 -4.644 -10.102 1.00 0.00 C ATOM 247 CE3 TRP A 19 -7.100 -3.867 -10.746 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.893 -3.472 -10.559 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.695 -2.705 -11.199 1.00 0.00 C ATOM 250 CH2 TRP A 19 -9.080 -2.515 -11.102 1.00 0.00 C ATOM 0 H TRP A 19 -4.122 -5.343 -8.501 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.484 -6.707 -7.361 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.630 -6.406 -10.240 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.422 -7.885 -9.731 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.007 -7.621 -8.779 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.845 -5.887 -9.331 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.031 -4.004 -10.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.960 -3.324 -10.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.082 -1.930 -11.635 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.514 -1.595 -11.463 1.00 0.00 H new ATOM 261 N VAL A 20 -4.725 -8.316 -6.603 1.00 0.00 N ATOM 262 CA VAL A 20 -3.855 -9.421 -6.219 1.00 0.00 C ATOM 263 C VAL A 20 -4.654 -10.555 -5.586 1.00 0.00 C ATOM 264 O VAL A 20 -5.883 -10.510 -5.538 1.00 0.00 O ATOM 265 CB VAL A 20 -2.767 -8.961 -5.230 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.941 -7.834 -5.832 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.393 -8.529 -3.913 1.00 0.00 C ATOM 0 H VAL A 20 -5.311 -7.959 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.379 -9.781 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.102 -9.801 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.177 -7.522 -5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.462 -8.182 -6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.591 -6.989 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.610 -8.207 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.082 -7.703 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.937 -9.367 -3.476 1.00 0.00 H new ATOM 277 N ALA A 21 -3.947 -11.571 -5.102 1.00 0.00 N ATOM 278 CA ALA A 21 -4.590 -12.716 -4.470 1.00 0.00 C ATOM 279 C ALA A 21 -4.337 -12.727 -2.966 1.00 0.00 C ATOM 280 O ALA A 21 -3.473 -12.016 -2.453 1.00 0.00 O ATOM 281 CB ALA A 21 -4.098 -14.011 -5.099 1.00 0.00 C ATOM 0 H ALA A 21 -2.929 -11.624 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.665 -12.632 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.586 -14.858 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.336 -14.012 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.019 -14.092 -4.968 1.00 0.00 H new ATOM 287 N PRO A 22 -5.108 -13.551 -2.242 1.00 0.00 N ATOM 288 CA PRO A 22 -4.986 -13.674 -0.786 1.00 0.00 C ATOM 289 C PRO A 22 -3.689 -14.360 -0.369 1.00 0.00 C ATOM 290 O PRO A 22 -3.632 -15.584 -0.254 1.00 0.00 O ATOM 291 CB PRO A 22 -6.193 -14.532 -0.400 1.00 0.00 C ATOM 292 CG PRO A 22 -6.508 -15.316 -1.626 1.00 0.00 C ATOM 293 CD PRO A 22 -6.158 -14.428 -2.788 1.00 0.00 C ATOM 0 HA PRO A 22 -4.963 -12.701 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.961 -15.187 0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.038 -13.913 -0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.933 -16.242 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.562 -15.594 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.797 -15.004 -3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.020 -13.857 -3.131 1.00 0.00 H new ATOM 301 N GLY A 23 -2.649 -13.563 -0.142 1.00 0.00 N ATOM 302 CA GLY A 23 -1.368 -14.113 0.260 1.00 0.00 C ATOM 303 C GLY A 23 -0.204 -13.446 -0.446 1.00 0.00 C ATOM 304 O GLY A 23 0.956 -13.736 -0.153 1.00 0.00 O ATOM 0 H GLY A 23 -2.671 -12.547 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.249 -13.999 1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.353 -15.182 0.049 1.00 0.00 H new ATOM 308 N GLU A 24 -0.514 -12.552 -1.380 1.00 0.00 N ATOM 309 CA GLU A 24 0.517 -11.845 -2.132 1.00 0.00 C ATOM 310 C GLU A 24 0.886 -10.533 -1.446 1.00 0.00 C ATOM 311 O GLU A 24 0.206 -10.091 -0.520 1.00 0.00 O ATOM 312 CB GLU A 24 0.040 -11.571 -3.560 1.00 0.00 C ATOM 313 CG GLU A 24 -0.221 -12.832 -4.367 1.00 0.00 C ATOM 314 CD GLU A 24 1.023 -13.345 -5.066 1.00 0.00 C ATOM 315 OE1 GLU A 24 1.912 -12.524 -5.372 1.00 0.00 O ATOM 316 OE2 GLU A 24 1.106 -14.567 -5.308 1.00 0.00 O ATOM 0 H GLU A 24 -1.469 -12.300 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 24 1.404 -12.478 -2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.874 -10.979 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.788 -10.969 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.608 -13.608 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.993 -12.631 -5.109 1.00 0.00 H new ATOM 323 N ASP A 25 1.968 -9.915 -1.908 1.00 0.00 N ATOM 324 CA ASP A 25 2.428 -8.653 -1.341 1.00 0.00 C ATOM 325 C ASP A 25 2.075 -7.485 -2.256 1.00 0.00 C ATOM 326 O ASP A 25 2.532 -7.416 -3.397 1.00 0.00 O ATOM 327 CB ASP A 25 3.939 -8.695 -1.107 1.00 0.00 C ATOM 328 CG ASP A 25 4.700 -9.177 -2.327 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.610 -10.381 -2.645 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.386 -8.350 -2.963 1.00 0.00 O ATOM 0 H ASP A 25 2.542 -10.268 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 25 1.924 -8.508 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.289 -7.700 -0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.155 -9.352 -0.264 1.00 0.00 H new ATOM 335 N VAL A 26 1.258 -6.568 -1.749 1.00 0.00 N ATOM 336 CA VAL A 26 0.843 -5.402 -2.520 1.00 0.00 C ATOM 337 C VAL A 26 1.759 -4.213 -2.255 1.00 0.00 C ATOM 338 O VAL A 26 2.188 -3.989 -1.124 1.00 0.00 O ATOM 339 CB VAL A 26 -0.608 -5.001 -2.195 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.984 -3.718 -2.921 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.566 -6.127 -2.555 1.00 0.00 C ATOM 0 H VAL A 26 0.870 -6.610 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 26 0.908 -5.679 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.684 -4.819 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.013 -3.451 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.317 -2.914 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.892 -3.868 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.587 -5.826 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.489 -6.343 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.309 -7.019 -1.984 1.00 0.00 H new ATOM 351 N GLU A 27 2.053 -3.454 -3.305 1.00 0.00 N ATOM 352 CA GLU A 27 2.919 -2.287 -3.185 1.00 0.00 C ATOM 353 C GLU A 27 2.309 -1.081 -3.894 1.00 0.00 C ATOM 354 O GLU A 27 2.214 -1.051 -5.121 1.00 0.00 O ATOM 355 CB GLU A 27 4.302 -2.588 -3.766 1.00 0.00 C ATOM 356 CG GLU A 27 5.028 -3.719 -3.056 1.00 0.00 C ATOM 357 CD GLU A 27 6.343 -4.076 -3.721 1.00 0.00 C ATOM 358 OE1 GLU A 27 7.312 -3.303 -3.574 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.402 -5.130 -4.389 1.00 0.00 O ATOM 0 H GLU A 27 1.705 -3.626 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 27 3.021 -2.051 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.196 -2.841 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.913 -1.687 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.214 -3.433 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.386 -4.600 -3.033 1.00 0.00 H new ATOM 366 N LEU A 28 1.897 -0.089 -3.112 1.00 0.00 N ATOM 367 CA LEU A 28 1.295 1.120 -3.664 1.00 0.00 C ATOM 368 C LEU A 28 2.286 2.280 -3.643 1.00 0.00 C ATOM 369 O LEU A 28 2.593 2.828 -2.585 1.00 0.00 O ATOM 370 CB LEU A 28 0.039 1.494 -2.875 1.00 0.00 C ATOM 371 CG LEU A 28 -1.011 0.392 -2.723 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.790 0.572 -1.429 1.00 0.00 C ATOM 373 CD2 LEU A 28 -1.953 0.385 -3.918 1.00 0.00 C ATOM 0 H LEU A 28 1.969 -0.098 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 28 1.020 0.919 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.343 1.819 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.429 2.350 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.498 -0.569 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.532 -0.221 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.105 0.527 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.292 1.540 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.693 -0.405 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.459 1.348 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.383 0.207 -4.830 1.00 0.00 H new ATOM 385 N ARG A 29 2.781 2.648 -4.820 1.00 0.00 N ATOM 386 CA ARG A 29 3.737 3.743 -4.938 1.00 0.00 C ATOM 387 C ARG A 29 3.031 5.041 -5.321 1.00 0.00 C ATOM 388 O ARG A 29 1.996 5.023 -5.988 1.00 0.00 O ATOM 389 CB ARG A 29 4.807 3.406 -5.977 1.00 0.00 C ATOM 390 CG ARG A 29 5.854 2.425 -5.477 1.00 0.00 C ATOM 391 CD ARG A 29 6.903 2.139 -6.540 1.00 0.00 C ATOM 392 NE ARG A 29 7.566 3.357 -6.996 1.00 0.00 N ATOM 393 CZ ARG A 29 8.616 3.362 -7.810 1.00 0.00 C ATOM 394 NH1 ARG A 29 9.120 2.219 -8.254 1.00 0.00 N ATOM 395 NH2 ARG A 29 9.164 4.512 -8.181 1.00 0.00 N ATOM 0 H ARG A 29 2.536 2.204 -5.705 1.00 0.00 H new ATOM 0 HA ARG A 29 4.215 3.881 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.324 2.990 -6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.302 4.326 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.337 2.829 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.370 1.494 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.646 1.450 -6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.433 1.643 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 29 7.203 4.253 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.702 1.333 -7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.926 2.226 -8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.779 5.393 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.970 4.515 -8.806 1.00 0.00 H new ATOM 409 N CYS A 30 3.598 6.164 -4.895 1.00 0.00 N ATOM 410 CA CYS A 30 3.023 7.472 -5.192 1.00 0.00 C ATOM 411 C CYS A 30 4.109 8.465 -5.592 1.00 0.00 C ATOM 412 O CYS A 30 5.285 8.113 -5.675 1.00 0.00 O ATOM 413 CB CYS A 30 2.252 8.000 -3.982 1.00 0.00 C ATOM 414 SG CYS A 30 3.293 8.384 -2.554 1.00 0.00 S ATOM 0 H CYS A 30 4.455 6.196 -4.343 1.00 0.00 H new ATOM 0 HA CYS A 30 2.335 7.357 -6.030 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.709 8.899 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.508 7.260 -3.687 1.00 0.00 H new ATOM 0 HG CYS A 30 3.906 7.307 -2.162 1.00 0.00 H new ATOM 420 N GLU A 31 3.706 9.707 -5.839 1.00 0.00 N ATOM 421 CA GLU A 31 4.645 10.751 -6.233 1.00 0.00 C ATOM 422 C GLU A 31 4.325 12.066 -5.528 1.00 0.00 C ATOM 423 O GLU A 31 3.158 12.412 -5.337 1.00 0.00 O ATOM 424 CB GLU A 31 4.613 10.951 -7.750 1.00 0.00 C ATOM 425 CG GLU A 31 5.828 11.684 -8.293 1.00 0.00 C ATOM 426 CD GLU A 31 7.027 10.772 -8.474 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.905 9.773 -9.212 1.00 0.00 O ATOM 428 OE2 GLU A 31 8.086 11.058 -7.877 1.00 0.00 O ATOM 0 H GLU A 31 2.736 10.015 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 31 5.645 10.435 -5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.540 9.978 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.714 11.508 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.575 12.140 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.092 12.495 -7.614 1.00 0.00 H new ATOM 435 N LEU A 32 5.367 12.794 -5.145 1.00 0.00 N ATOM 436 CA LEU A 32 5.198 14.071 -4.460 1.00 0.00 C ATOM 437 C LEU A 32 5.997 15.170 -5.154 1.00 0.00 C ATOM 438 O LEU A 32 7.152 14.970 -5.529 1.00 0.00 O ATOM 439 CB LEU A 32 5.636 13.951 -2.999 1.00 0.00 C ATOM 440 CG LEU A 32 5.260 12.649 -2.291 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.170 12.410 -1.096 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.803 12.680 -1.856 1.00 0.00 C ATOM 0 H LEU A 32 6.338 12.522 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 32 4.142 14.337 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.719 14.066 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.204 14.782 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 32 5.391 11.825 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.888 11.479 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.204 12.343 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.071 13.237 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.553 11.745 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.645 13.513 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.165 12.804 -2.731 1.00 0.00 H new ATOM 454 N SER A 33 5.374 16.333 -5.319 1.00 0.00 N ATOM 455 CA SER A 33 6.026 17.464 -5.969 1.00 0.00 C ATOM 456 C SER A 33 7.282 17.877 -5.208 1.00 0.00 C ATOM 457 O SER A 33 8.098 18.650 -5.709 1.00 0.00 O ATOM 458 CB SER A 33 5.062 18.648 -6.067 1.00 0.00 C ATOM 459 OG SER A 33 5.766 19.865 -6.241 1.00 0.00 O ATOM 0 H SER A 33 4.419 16.516 -5.012 1.00 0.00 H new ATOM 0 HA SER A 33 6.316 17.157 -6.974 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.379 18.497 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.454 18.702 -5.164 1.00 0.00 H new ATOM 0 HG SER A 33 6.717 19.676 -6.381 1.00 0.00 H new ATOM 465 N ARG A 34 7.429 17.356 -3.994 1.00 0.00 N ATOM 466 CA ARG A 34 8.584 17.672 -3.162 1.00 0.00 C ATOM 467 C ARG A 34 8.845 16.560 -2.150 1.00 0.00 C ATOM 468 O ARG A 34 7.912 16.003 -1.571 1.00 0.00 O ATOM 469 CB ARG A 34 8.367 18.999 -2.433 1.00 0.00 C ATOM 470 CG ARG A 34 9.429 19.300 -1.388 1.00 0.00 C ATOM 471 CD ARG A 34 8.895 20.219 -0.300 1.00 0.00 C ATOM 472 NE ARG A 34 9.947 20.652 0.616 1.00 0.00 N ATOM 473 CZ ARG A 34 10.892 21.526 0.289 1.00 0.00 C ATOM 474 NH1 ARG A 34 10.916 22.059 -0.925 1.00 0.00 N ATOM 475 NH2 ARG A 34 11.815 21.870 1.178 1.00 0.00 N ATOM 0 H ARG A 34 6.763 16.714 -3.565 1.00 0.00 H new ATOM 0 HA ARG A 34 9.455 17.761 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.350 19.807 -3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.389 18.984 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.776 18.368 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.291 19.764 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.432 21.093 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.116 19.702 0.261 1.00 0.00 H new ATOM 0 HE ARG A 34 9.956 20.262 1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.207 21.798 -1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.643 22.730 -1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.799 21.463 2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.541 22.541 0.926 1.00 0.00 H new ATOM 489 N ALA A 35 10.118 16.242 -1.943 1.00 0.00 N ATOM 490 CA ALA A 35 10.502 15.199 -1.000 1.00 0.00 C ATOM 491 C ALA A 35 10.465 15.714 0.435 1.00 0.00 C ATOM 492 O ALA A 35 10.178 16.886 0.676 1.00 0.00 O ATOM 493 CB ALA A 35 11.887 14.667 -1.336 1.00 0.00 C ATOM 0 H ALA A 35 10.902 16.692 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 35 9.782 14.385 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.161 13.889 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.882 14.251 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.612 15.479 -1.282 1.00 0.00 H new ATOM 534 N VAL A 39 3.839 10.886 4.323 1.00 0.00 N ATOM 535 CA VAL A 39 2.505 10.554 3.836 1.00 0.00 C ATOM 536 C VAL A 39 1.660 9.923 4.937 1.00 0.00 C ATOM 537 O VAL A 39 2.186 9.285 5.850 1.00 0.00 O ATOM 538 CB VAL A 39 2.570 9.589 2.637 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.812 8.164 3.111 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.293 9.676 1.815 1.00 0.00 C ATOM 0 HA VAL A 39 2.042 11.488 3.517 1.00 0.00 H new ATOM 0 HB VAL A 39 3.406 9.882 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.855 7.497 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.756 8.117 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.999 7.856 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.355 8.988 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.440 9.409 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.167 10.693 1.445 1.00 0.00 H new ATOM 550 N HIS A 40 0.347 10.105 4.845 1.00 0.00 N ATOM 551 CA HIS A 40 -0.573 9.553 5.834 1.00 0.00 C ATOM 552 C HIS A 40 -1.395 8.416 5.235 1.00 0.00 C ATOM 553 O HIS A 40 -2.341 8.650 4.482 1.00 0.00 O ATOM 554 CB HIS A 40 -1.502 10.646 6.363 1.00 0.00 C ATOM 555 CG HIS A 40 -1.994 10.391 7.755 1.00 0.00 C ATOM 556 ND1 HIS A 40 -3.047 11.079 8.319 1.00 0.00 N ATOM 557 CD2 HIS A 40 -1.571 9.515 8.697 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.250 10.639 9.548 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.368 9.689 9.801 1.00 0.00 N ATOM 0 H HIS A 40 -0.104 10.630 4.096 1.00 0.00 H new ATOM 0 HA HIS A 40 0.016 9.156 6.661 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.976 11.600 6.341 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.358 10.739 5.695 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.758 8.811 8.598 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.008 10.995 10.230 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.291 9.169 10.675 1.00 0.00 H new ATOM 568 N TRP A 41 -1.027 7.185 5.573 1.00 0.00 N ATOM 569 CA TRP A 41 -1.731 6.012 5.067 1.00 0.00 C ATOM 570 C TRP A 41 -2.945 5.691 5.932 1.00 0.00 C ATOM 571 O TRP A 41 -2.810 5.357 7.110 1.00 0.00 O ATOM 572 CB TRP A 41 -0.789 4.807 5.022 1.00 0.00 C ATOM 573 CG TRP A 41 0.380 5.002 4.105 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.614 5.483 4.440 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.425 4.722 2.701 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.422 5.519 3.329 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.717 5.057 2.250 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.500 4.219 1.782 1.00 0.00 C ATOM 579 CZ2 TRP A 41 2.103 4.905 0.921 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.115 4.070 0.464 1.00 0.00 C ATOM 581 CH2 TRP A 41 1.178 4.411 0.043 1.00 0.00 C ATOM 0 H TRP A 41 -0.246 6.973 6.194 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.076 6.233 4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.423 4.603 6.028 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.349 3.928 4.703 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.911 5.790 5.432 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.391 5.838 3.311 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.498 3.952 2.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.098 5.168 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.822 3.684 -0.255 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.449 4.281 -0.994 1.00 0.00 H new ATOM 592 N LEU A 42 -4.130 5.793 5.341 1.00 0.00 N ATOM 593 CA LEU A 42 -5.369 5.513 6.058 1.00 0.00 C ATOM 594 C LEU A 42 -6.111 4.340 5.425 1.00 0.00 C ATOM 595 O LEU A 42 -6.104 4.171 4.206 1.00 0.00 O ATOM 596 CB LEU A 42 -6.267 6.752 6.069 1.00 0.00 C ATOM 597 CG LEU A 42 -5.659 8.015 6.681 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.218 9.257 6.004 1.00 0.00 C ATOM 599 CD2 LEU A 42 -5.918 8.059 8.180 1.00 0.00 C ATOM 0 H LEU A 42 -4.259 6.068 4.367 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.114 5.248 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.559 6.974 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.179 6.510 6.615 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.581 7.992 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.775 10.146 6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.981 9.230 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.300 9.286 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.478 8.964 8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.992 8.059 8.364 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.469 7.185 8.653 1.00 0.00 H new ATOM 611 N LYS A 43 -6.753 3.532 6.262 1.00 0.00 N ATOM 612 CA LYS A 43 -7.503 2.376 5.786 1.00 0.00 C ATOM 613 C LYS A 43 -8.962 2.455 6.227 1.00 0.00 C ATOM 614 O LYS A 43 -9.334 1.922 7.273 1.00 0.00 O ATOM 615 CB LYS A 43 -6.872 1.082 6.307 1.00 0.00 C ATOM 616 CG LYS A 43 -7.095 -0.113 5.396 1.00 0.00 C ATOM 617 CD LYS A 43 -6.407 -1.357 5.930 1.00 0.00 C ATOM 618 CE LYS A 43 -7.058 -2.626 5.400 1.00 0.00 C ATOM 619 NZ LYS A 43 -8.160 -3.096 6.284 1.00 0.00 N ATOM 0 H LYS A 43 -6.769 3.657 7.274 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.470 2.377 4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.801 1.236 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.282 0.859 7.292 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.164 -0.302 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.717 0.113 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.354 -1.342 5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.444 -1.355 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.449 -2.443 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.306 -3.410 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.577 -3.962 5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.783 -3.296 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.891 -2.359 6.350 1.00 0.00 H new ATOM 633 N ASP A 44 -9.783 3.120 5.422 1.00 0.00 N ATOM 634 CA ASP A 44 -11.201 3.267 5.728 1.00 0.00 C ATOM 635 C ASP A 44 -11.415 4.289 6.840 1.00 0.00 C ATOM 636 O ASP A 44 -12.211 4.070 7.753 1.00 0.00 O ATOM 637 CB ASP A 44 -11.798 1.919 6.135 1.00 0.00 C ATOM 638 CG ASP A 44 -13.276 1.818 5.810 1.00 0.00 C ATOM 639 OD1 ASP A 44 -14.082 2.468 6.508 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.625 1.090 4.858 1.00 0.00 O ATOM 0 H ASP A 44 -9.491 3.566 4.552 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.706 3.624 4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.261 1.119 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.653 1.769 7.205 1.00 0.00 H new ATOM 645 N ARG A 45 -10.697 5.404 6.757 1.00 0.00 N ATOM 646 CA ARG A 45 -10.806 6.459 7.758 1.00 0.00 C ATOM 647 C ARG A 45 -10.100 6.058 9.050 1.00 0.00 C ATOM 648 O ARG A 45 -10.433 6.546 10.130 1.00 0.00 O ATOM 649 CB ARG A 45 -12.277 6.770 8.043 1.00 0.00 C ATOM 650 CG ARG A 45 -13.138 6.844 6.793 1.00 0.00 C ATOM 651 CD ARG A 45 -13.055 8.215 6.140 1.00 0.00 C ATOM 652 NE ARG A 45 -14.286 8.561 5.435 1.00 0.00 N ATOM 653 CZ ARG A 45 -15.453 8.744 6.042 1.00 0.00 C ATOM 654 NH1 ARG A 45 -15.547 8.616 7.359 1.00 0.00 N ATOM 655 NH2 ARG A 45 -16.530 9.058 5.332 1.00 0.00 N ATOM 0 H ARG A 45 -10.034 5.600 6.007 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.322 7.352 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.679 6.004 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.342 7.719 8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.817 6.082 6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.174 6.624 7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.850 8.967 6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.219 8.233 5.440 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.248 8.668 4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.722 8.376 7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.445 8.757 7.822 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.462 9.159 4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.426 9.198 5.799 1.00 0.00 H new ATOM 669 N LYS A 46 -9.122 5.166 8.931 1.00 0.00 N ATOM 670 CA LYS A 46 -8.367 4.699 10.088 1.00 0.00 C ATOM 671 C LYS A 46 -6.884 5.018 9.934 1.00 0.00 C ATOM 672 O LYS A 46 -6.310 4.843 8.860 1.00 0.00 O ATOM 673 CB LYS A 46 -8.559 3.192 10.274 1.00 0.00 C ATOM 674 CG LYS A 46 -7.507 2.354 9.570 1.00 0.00 C ATOM 675 CD LYS A 46 -7.622 0.886 9.944 1.00 0.00 C ATOM 676 CE LYS A 46 -8.903 0.271 9.402 1.00 0.00 C ATOM 677 NZ LYS A 46 -9.235 -1.011 10.083 1.00 0.00 N ATOM 0 H LYS A 46 -8.834 4.752 8.045 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.743 5.218 10.970 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.543 2.961 11.339 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.544 2.911 9.902 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.614 2.465 8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.514 2.720 9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.762 0.342 9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.598 0.783 11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.726 0.974 9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.797 0.097 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.114 -1.398 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.461 -1.691 9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.361 -0.841 11.101 1.00 0.00 H new ATOM 691 N ALA A 47 -6.269 5.486 11.016 1.00 0.00 N ATOM 692 CA ALA A 47 -4.851 5.825 11.001 1.00 0.00 C ATOM 693 C ALA A 47 -3.986 4.570 10.971 1.00 0.00 C ATOM 694 O ALA A 47 -3.997 3.775 11.912 1.00 0.00 O ATOM 695 CB ALA A 47 -4.501 6.681 12.210 1.00 0.00 C ATOM 0 H ALA A 47 -6.730 5.639 11.913 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.649 6.395 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.439 6.927 12.187 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.087 7.600 12.187 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.726 6.130 13.123 1.00 0.00 H new ATOM 701 N ILE A 48 -3.239 4.398 9.886 1.00 0.00 N ATOM 702 CA ILE A 48 -2.369 3.238 9.734 1.00 0.00 C ATOM 703 C ILE A 48 -0.983 3.514 10.308 1.00 0.00 C ATOM 704 O ILE A 48 -0.471 4.629 10.214 1.00 0.00 O ATOM 705 CB ILE A 48 -2.228 2.829 8.256 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.607 2.709 7.604 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.466 1.518 8.140 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.553 2.555 6.101 1.00 0.00 C ATOM 0 H ILE A 48 -3.219 5.047 9.099 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.833 2.420 10.285 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.665 3.602 7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.128 1.852 8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.194 3.594 7.850 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.374 1.242 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.472 1.635 8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.004 0.736 8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.566 2.476 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.060 3.424 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.993 1.655 5.847 1.00 0.00 H new ATOM 720 N ARG A 49 -0.379 2.488 10.901 1.00 0.00 N ATOM 721 CA ARG A 49 0.948 2.619 11.489 1.00 0.00 C ATOM 722 C ARG A 49 1.917 1.613 10.875 1.00 0.00 C ATOM 723 O ARG A 49 1.577 0.445 10.683 1.00 0.00 O ATOM 724 CB ARG A 49 0.880 2.418 13.004 1.00 0.00 C ATOM 725 CG ARG A 49 0.118 3.514 13.731 1.00 0.00 C ATOM 726 CD ARG A 49 1.006 4.716 14.013 1.00 0.00 C ATOM 727 NE ARG A 49 2.095 4.389 14.929 1.00 0.00 N ATOM 728 CZ ARG A 49 3.040 5.252 15.285 1.00 0.00 C ATOM 729 NH1 ARG A 49 3.029 6.488 14.804 1.00 0.00 N ATOM 730 NH2 ARG A 49 3.998 4.880 16.124 1.00 0.00 N ATOM 0 H ARG A 49 -0.788 1.558 10.986 1.00 0.00 H new ATOM 0 HA ARG A 49 1.313 3.624 11.278 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.407 1.458 13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.894 2.368 13.401 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.737 3.825 13.130 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.277 3.124 14.669 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.420 5.089 13.076 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.404 5.520 14.437 1.00 0.00 H new ATOM 0 HE ARG A 49 2.132 3.446 15.317 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.294 6.778 14.159 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.756 7.149 15.079 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.009 3.930 16.496 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.723 5.544 16.397 1.00 0.00 H new ATOM 744 N LYS A 50 3.124 2.074 10.567 1.00 0.00 N ATOM 745 CA LYS A 50 4.144 1.216 9.975 1.00 0.00 C ATOM 746 C LYS A 50 4.394 -0.011 10.845 1.00 0.00 C ATOM 747 O LYS A 50 4.578 0.102 12.057 1.00 0.00 O ATOM 748 CB LYS A 50 5.447 1.994 9.785 1.00 0.00 C ATOM 749 CG LYS A 50 6.585 1.151 9.236 1.00 0.00 C ATOM 750 CD LYS A 50 7.750 2.014 8.781 1.00 0.00 C ATOM 751 CE LYS A 50 8.592 2.480 9.959 1.00 0.00 C ATOM 752 NZ LYS A 50 9.516 3.583 9.578 1.00 0.00 N ATOM 0 H LYS A 50 3.420 3.038 10.718 1.00 0.00 H new ATOM 0 HA LYS A 50 3.783 0.882 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.266 2.829 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.750 2.419 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.925 0.454 10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.225 0.553 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.373 1.449 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.372 2.880 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.937 2.816 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.169 1.641 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.072 3.872 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.158 3.255 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.965 4.394 9.231 1.00 0.00 H new ATOM 766 N SER A 51 4.401 -1.184 10.219 1.00 0.00 N ATOM 767 CA SER A 51 4.627 -2.433 10.937 1.00 0.00 C ATOM 768 C SER A 51 5.091 -3.531 9.985 1.00 0.00 C ATOM 769 O SER A 51 5.283 -3.292 8.793 1.00 0.00 O ATOM 770 CB SER A 51 3.350 -2.871 11.656 1.00 0.00 C ATOM 771 OG SER A 51 2.229 -2.801 10.791 1.00 0.00 O ATOM 0 H SER A 51 4.253 -1.295 9.216 1.00 0.00 H new ATOM 0 HA SER A 51 5.410 -2.262 11.675 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.467 -3.891 12.023 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.182 -2.236 12.526 1.00 0.00 H new ATOM 0 HG SER A 51 1.931 -1.870 10.716 1.00 0.00 H new ATOM 777 N GLN A 52 5.268 -4.734 10.521 1.00 0.00 N ATOM 778 CA GLN A 52 5.709 -5.869 9.719 1.00 0.00 C ATOM 779 C GLN A 52 4.734 -6.142 8.578 1.00 0.00 C ATOM 780 O GLN A 52 5.065 -6.837 7.618 1.00 0.00 O ATOM 781 CB GLN A 52 5.849 -7.116 10.595 1.00 0.00 C ATOM 782 CG GLN A 52 4.619 -7.407 11.440 1.00 0.00 C ATOM 783 CD GLN A 52 4.564 -8.846 11.913 1.00 0.00 C ATOM 784 OE1 GLN A 52 4.970 -9.159 13.033 1.00 0.00 O ATOM 785 NE2 GLN A 52 4.060 -9.731 11.061 1.00 0.00 N ATOM 0 H GLN A 52 5.113 -4.948 11.506 1.00 0.00 H new ATOM 0 HA GLN A 52 6.681 -5.623 9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.054 -7.976 9.958 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.710 -6.994 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.612 -6.744 12.305 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.723 -7.185 10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.735 -9.427 10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.997 -10.714 11.325 1.00 0.00 H new ATOM 794 N LYS A 53 3.531 -5.591 8.691 1.00 0.00 N ATOM 795 CA LYS A 53 2.507 -5.773 7.669 1.00 0.00 C ATOM 796 C LYS A 53 2.503 -4.606 6.688 1.00 0.00 C ATOM 797 O LYS A 53 2.557 -4.803 5.473 1.00 0.00 O ATOM 798 CB LYS A 53 1.128 -5.911 8.318 1.00 0.00 C ATOM 799 CG LYS A 53 -0.023 -5.779 7.336 1.00 0.00 C ATOM 800 CD LYS A 53 -0.055 -6.939 6.355 1.00 0.00 C ATOM 801 CE LYS A 53 -0.822 -8.125 6.920 1.00 0.00 C ATOM 802 NZ LYS A 53 0.057 -9.026 7.716 1.00 0.00 N ATOM 0 H LYS A 53 3.241 -5.014 9.481 1.00 0.00 H new ATOM 0 HA LYS A 53 2.737 -6.686 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.064 -6.881 8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.023 -5.151 9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.965 -5.737 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.070 -4.841 6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.518 -6.616 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.964 -7.243 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.637 -7.765 7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.274 -8.688 6.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.124 -10.014 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.053 -8.793 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.144 -8.901 8.729 1.00 0.00 H new ATOM 816 N TYR A 54 2.441 -3.391 7.221 1.00 0.00 N ATOM 817 CA TYR A 54 2.430 -2.192 6.392 1.00 0.00 C ATOM 818 C TYR A 54 3.781 -1.484 6.438 1.00 0.00 C ATOM 819 O TYR A 54 4.056 -0.707 7.352 1.00 0.00 O ATOM 820 CB TYR A 54 1.326 -1.238 6.852 1.00 0.00 C ATOM 821 CG TYR A 54 -0.061 -1.836 6.779 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.585 -2.279 5.571 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.847 -1.958 7.918 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.852 -2.825 5.500 1.00 0.00 C ATOM 825 CE2 TYR A 54 -2.114 -2.505 7.857 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.612 -2.936 6.645 1.00 0.00 C ATOM 827 OH TYR A 54 -3.874 -3.481 6.578 1.00 0.00 O ATOM 0 H TYR A 54 2.398 -3.210 8.224 1.00 0.00 H new ATOM 0 HA TYR A 54 2.234 -2.495 5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.527 -0.932 7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.357 -0.337 6.239 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.008 -2.195 4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.461 -1.619 8.868 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.245 -3.163 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.711 -2.595 8.753 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.275 -3.488 7.472 1.00 0.00 H new ATOM 837 N ASP A 55 4.619 -1.760 5.446 1.00 0.00 N ATOM 838 CA ASP A 55 5.942 -1.150 5.370 1.00 0.00 C ATOM 839 C ASP A 55 5.882 0.188 4.639 1.00 0.00 C ATOM 840 O ASP A 55 5.589 0.242 3.445 1.00 0.00 O ATOM 841 CB ASP A 55 6.921 -2.088 4.663 1.00 0.00 C ATOM 842 CG ASP A 55 6.741 -3.534 5.082 1.00 0.00 C ATOM 843 OD1 ASP A 55 5.753 -4.160 4.644 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.588 -4.040 5.849 1.00 0.00 O ATOM 0 H ASP A 55 4.406 -2.402 4.683 1.00 0.00 H new ATOM 0 HA ASP A 55 6.292 -0.973 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.785 -2.005 3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.942 -1.774 4.880 1.00 0.00 H new ATOM 849 N VAL A 56 6.161 1.266 5.365 1.00 0.00 N ATOM 850 CA VAL A 56 6.140 2.604 4.786 1.00 0.00 C ATOM 851 C VAL A 56 7.527 3.019 4.310 1.00 0.00 C ATOM 852 O VAL A 56 8.379 3.410 5.109 1.00 0.00 O ATOM 853 CB VAL A 56 5.623 3.645 5.796 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.648 5.039 5.188 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.221 3.283 6.263 1.00 0.00 C ATOM 0 H VAL A 56 6.404 1.239 6.355 1.00 0.00 H new ATOM 0 HA VAL A 56 5.462 2.569 3.933 1.00 0.00 H new ATOM 0 HB VAL A 56 6.283 3.642 6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.279 5.761 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.670 5.296 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.013 5.061 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.871 4.029 6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.548 3.256 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.238 2.304 6.742 1.00 0.00 H new ATOM 865 N VAL A 57 7.749 2.933 3.002 1.00 0.00 N ATOM 866 CA VAL A 57 9.033 3.301 2.418 1.00 0.00 C ATOM 867 C VAL A 57 8.981 4.699 1.812 1.00 0.00 C ATOM 868 O VAL A 57 8.401 4.903 0.745 1.00 0.00 O ATOM 869 CB VAL A 57 9.464 2.298 1.331 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.858 2.629 0.822 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.406 0.875 1.866 1.00 0.00 C ATOM 0 H VAL A 57 7.056 2.611 2.327 1.00 0.00 H new ATOM 0 HA VAL A 57 9.764 3.285 3.226 1.00 0.00 H new ATOM 0 HB VAL A 57 8.770 2.375 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.145 1.910 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.862 3.633 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.568 2.582 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.714 0.180 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.076 0.780 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.387 0.644 2.176 1.00 0.00 H new ATOM 914 N THR A 61 10.918 11.408 -3.103 1.00 0.00 N ATOM 915 CA THR A 61 9.571 11.724 -3.562 1.00 0.00 C ATOM 916 C THR A 61 8.830 10.465 -3.999 1.00 0.00 C ATOM 917 O THR A 61 8.169 10.453 -5.037 1.00 0.00 O ATOM 918 CB THR A 61 9.597 12.724 -4.733 1.00 0.00 C ATOM 919 OG1 THR A 61 10.420 12.218 -5.791 1.00 0.00 O ATOM 920 CG2 THR A 61 10.123 14.077 -4.278 1.00 0.00 C ATOM 0 HA THR A 61 9.048 12.176 -2.720 1.00 0.00 H new ATOM 0 HB THR A 61 8.577 12.852 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.107 11.628 -5.417 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.132 14.766 -5.122 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.478 14.473 -3.493 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.136 13.963 -3.892 1.00 0.00 H new ATOM 928 N MET A 62 8.945 9.409 -3.201 1.00 0.00 N ATOM 929 CA MET A 62 8.283 8.146 -3.506 1.00 0.00 C ATOM 930 C MET A 62 7.828 7.448 -2.228 1.00 0.00 C ATOM 931 O MET A 62 8.643 6.906 -1.482 1.00 0.00 O ATOM 932 CB MET A 62 9.222 7.231 -4.295 1.00 0.00 C ATOM 933 CG MET A 62 8.515 6.059 -4.956 1.00 0.00 C ATOM 934 SD MET A 62 7.851 4.884 -3.760 1.00 0.00 S ATOM 935 CE MET A 62 9.361 4.203 -3.080 1.00 0.00 C ATOM 0 H MET A 62 9.490 9.403 -2.339 1.00 0.00 H new ATOM 0 HA MET A 62 7.404 8.362 -4.113 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.729 7.818 -5.061 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.992 6.849 -3.625 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.704 6.434 -5.580 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.213 5.544 -5.616 1.00 0.00 H new ATOM 0 HE1 MET A 62 9.302 3.115 -3.080 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.209 4.521 -3.687 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.493 4.559 -2.058 1.00 0.00 H new ATOM 945 N ALA A 63 6.522 7.465 -1.982 1.00 0.00 N ATOM 946 CA ALA A 63 5.960 6.832 -0.796 1.00 0.00 C ATOM 947 C ALA A 63 5.293 5.506 -1.145 1.00 0.00 C ATOM 948 O ALA A 63 4.206 5.481 -1.721 1.00 0.00 O ATOM 949 CB ALA A 63 4.965 7.765 -0.122 1.00 0.00 C ATOM 0 H ALA A 63 5.834 7.910 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 63 6.776 6.626 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.553 7.280 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.470 8.685 0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.158 8.000 -0.816 1.00 0.00 H new ATOM 955 N MET A 64 5.951 4.407 -0.793 1.00 0.00 N ATOM 956 CA MET A 64 5.420 3.077 -1.069 1.00 0.00 C ATOM 957 C MET A 64 4.864 2.439 0.200 1.00 0.00 C ATOM 958 O MET A 64 5.327 2.726 1.305 1.00 0.00 O ATOM 959 CB MET A 64 6.509 2.184 -1.668 1.00 0.00 C ATOM 960 CG MET A 64 5.966 0.936 -2.345 1.00 0.00 C ATOM 961 SD MET A 64 7.229 0.047 -3.276 1.00 0.00 S ATOM 962 CE MET A 64 8.264 -0.561 -1.946 1.00 0.00 C ATOM 0 H MET A 64 6.853 4.411 -0.316 1.00 0.00 H new ATOM 0 HA MET A 64 4.608 3.180 -1.788 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.082 2.761 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.200 1.888 -0.879 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.542 0.273 -1.591 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.154 1.215 -3.016 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.741 -1.492 -2.253 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.029 0.179 -1.713 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.652 -0.741 -1.062 1.00 0.00 H new ATOM 972 N LEU A 65 3.870 1.574 0.036 1.00 0.00 N ATOM 973 CA LEU A 65 3.250 0.895 1.169 1.00 0.00 C ATOM 974 C LEU A 65 3.116 -0.600 0.901 1.00 0.00 C ATOM 975 O LEU A 65 2.188 -1.039 0.221 1.00 0.00 O ATOM 976 CB LEU A 65 1.875 1.498 1.460 1.00 0.00 C ATOM 977 CG LEU A 65 1.137 0.931 2.673 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.869 1.286 3.958 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.295 1.445 2.714 1.00 0.00 C ATOM 0 H LEU A 65 3.475 1.326 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 65 3.892 1.033 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.994 2.572 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.246 1.360 0.580 1.00 0.00 H new ATOM 0 HG LEU A 65 1.110 -0.155 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.329 0.874 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.876 0.869 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.928 2.370 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.805 1.031 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.289 2.533 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.817 1.139 1.807 1.00 0.00 H new ATOM 991 N VAL A 66 4.048 -1.379 1.441 1.00 0.00 N ATOM 992 CA VAL A 66 4.033 -2.826 1.263 1.00 0.00 C ATOM 993 C VAL A 66 3.044 -3.486 2.217 1.00 0.00 C ATOM 994 O VAL A 66 3.099 -3.273 3.429 1.00 0.00 O ATOM 995 CB VAL A 66 5.430 -3.434 1.487 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.450 -4.896 1.066 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.484 -2.639 0.732 1.00 0.00 C ATOM 0 H VAL A 66 4.823 -1.032 2.006 1.00 0.00 H new ATOM 0 HA VAL A 66 3.724 -3.016 0.235 1.00 0.00 H new ATOM 0 HB VAL A 66 5.663 -3.384 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.445 -5.309 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.723 -5.454 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.196 -4.974 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.465 -3.083 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.258 -2.655 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.486 -1.608 1.087 1.00 0.00 H new ATOM 1007 N ILE A 67 2.141 -4.288 1.664 1.00 0.00 N ATOM 1008 CA ILE A 67 1.141 -4.981 2.466 1.00 0.00 C ATOM 1009 C ILE A 67 1.422 -6.479 2.522 1.00 0.00 C ATOM 1010 O ILE A 67 0.799 -7.265 1.807 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.279 -4.757 1.913 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.577 -3.260 1.806 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.307 -5.446 2.798 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.581 -2.920 0.726 1.00 0.00 C ATOM 0 H ILE A 67 2.081 -4.474 0.663 1.00 0.00 H new ATOM 0 HA ILE A 67 1.200 -4.565 3.472 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.338 -5.192 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.952 -2.903 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.352 -2.726 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.305 -5.278 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.102 -6.516 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.251 -5.038 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.744 -1.842 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.199 -3.246 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.524 -3.426 0.933 1.00 0.00 H new ATOM 1026 N ARG A 68 2.362 -6.868 3.377 1.00 0.00 N ATOM 1027 CA ARG A 68 2.725 -8.272 3.526 1.00 0.00 C ATOM 1028 C ARG A 68 1.480 -9.145 3.652 1.00 0.00 C ATOM 1029 O ARG A 68 0.520 -8.781 4.330 1.00 0.00 O ATOM 1030 CB ARG A 68 3.620 -8.461 4.752 1.00 0.00 C ATOM 1031 CG ARG A 68 5.065 -8.048 4.522 1.00 0.00 C ATOM 1032 CD ARG A 68 5.780 -9.017 3.593 1.00 0.00 C ATOM 1033 NE ARG A 68 6.844 -8.364 2.836 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.591 -8.987 1.931 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.391 -10.271 1.672 1.00 0.00 N ATOM 1036 NH2 ARG A 68 8.541 -8.324 1.283 1.00 0.00 N ATOM 0 H ARG A 68 2.886 -6.231 3.977 1.00 0.00 H new ATOM 0 HA ARG A 68 3.272 -8.577 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.213 -7.882 5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.594 -9.509 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.095 -7.045 4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.589 -8.004 5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.200 -9.836 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.060 -9.455 2.902 1.00 0.00 H new ATOM 0 HE ARG A 68 7.024 -7.375 3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.662 -10.784 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.966 -10.747 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.698 -7.336 1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.114 -8.803 0.588 1.00 0.00 H new ATOM 1050 N GLY A 69 1.504 -10.300 2.993 1.00 0.00 N ATOM 1051 CA GLY A 69 0.372 -11.206 3.043 1.00 0.00 C ATOM 1052 C GLY A 69 -0.954 -10.475 3.098 1.00 0.00 C ATOM 1053 O GLY A 69 -1.539 -10.315 4.169 1.00 0.00 O ATOM 0 H GLY A 69 2.287 -10.624 2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.390 -11.854 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.465 -11.850 3.917 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.430 -10.027 1.940 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.696 -9.309 1.861 1.00 0.00 C ATOM 1059 C ALA A 70 -3.870 -10.276 1.749 1.00 0.00 C ATOM 1060 O ALA A 70 -4.148 -10.809 0.675 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.685 -8.351 0.679 1.00 0.00 C ATOM 0 H ALA A 70 -0.958 -10.149 1.044 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.818 -8.735 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.636 -7.821 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.875 -7.632 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.536 -8.913 -0.243 1.00 0.00 H new ATOM 1067 N SER A 71 -4.554 -10.499 2.867 1.00 0.00 N ATOM 1068 CA SER A 71 -5.696 -11.406 2.895 1.00 0.00 C ATOM 1069 C SER A 71 -6.952 -10.714 2.375 1.00 0.00 C ATOM 1070 O SER A 71 -7.000 -9.488 2.263 1.00 0.00 O ATOM 1071 CB SER A 71 -5.933 -11.916 4.318 1.00 0.00 C ATOM 1072 OG SER A 71 -5.525 -10.958 5.278 1.00 0.00 O ATOM 0 H SER A 71 -4.338 -10.065 3.764 1.00 0.00 H new ATOM 0 HA SER A 71 -5.473 -12.252 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.990 -12.144 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.384 -12.845 4.471 1.00 0.00 H new ATOM 0 HG SER A 71 -5.643 -10.057 4.911 1.00 0.00 H new ATOM 1078 N LEU A 72 -7.969 -11.508 2.058 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.227 -10.974 1.549 1.00 0.00 C ATOM 1080 C LEU A 72 -9.702 -9.798 2.397 1.00 0.00 C ATOM 1081 O LEU A 72 -10.437 -8.932 1.921 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.297 -12.068 1.528 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.018 -13.263 0.616 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -10.702 -14.512 1.148 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.473 -12.967 -0.805 1.00 0.00 C ATOM 0 H LEU A 72 -7.947 -12.524 2.145 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.058 -10.620 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.431 -12.436 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.242 -11.618 1.225 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.943 -13.441 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.492 -15.352 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.327 -14.735 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.778 -14.346 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.267 -13.829 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.543 -12.761 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.935 -12.099 -1.186 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.277 -9.773 3.655 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.655 -8.702 4.569 1.00 0.00 C ATOM 1099 C LYS A 73 -8.865 -7.431 4.275 1.00 0.00 C ATOM 1100 O LYS A 73 -9.416 -6.330 4.283 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.423 -9.135 6.019 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.412 -10.179 6.507 1.00 0.00 C ATOM 1103 CD LYS A 73 -10.191 -10.515 7.973 1.00 0.00 C ATOM 1104 CE LYS A 73 -10.950 -9.563 8.884 1.00 0.00 C ATOM 1105 NZ LYS A 73 -10.473 -9.644 10.292 1.00 0.00 N ATOM 0 H LYS A 73 -8.670 -10.483 4.065 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.715 -8.492 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.412 -9.532 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.483 -8.259 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.429 -9.812 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.313 -11.083 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.513 -11.538 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.126 -10.468 8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.834 -8.542 8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.014 -9.796 8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.015 -8.980 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.607 -10.612 10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.464 -9.397 10.331 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.572 -7.590 4.015 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.706 -6.456 3.715 1.00 0.00 C ATOM 1121 C ASP A 74 -7.360 -5.528 2.696 1.00 0.00 C ATOM 1122 O ASP A 74 -7.159 -4.314 2.727 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.356 -6.942 3.188 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.472 -7.499 4.286 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.788 -8.589 4.807 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.463 -6.846 4.624 1.00 0.00 O ATOM 0 H ASP A 74 -7.100 -8.494 4.006 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.547 -5.899 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.520 -7.710 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.843 -6.116 2.696 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.143 -6.108 1.792 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.827 -5.334 0.763 1.00 0.00 C ATOM 1133 C ALA A 75 -9.597 -4.168 1.375 1.00 0.00 C ATOM 1134 O ALA A 75 -10.460 -4.363 2.230 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.764 -6.228 -0.035 1.00 0.00 C ATOM 0 H ALA A 75 -8.319 -7.112 1.751 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.074 -4.925 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.268 -5.637 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.190 -7.023 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.506 -6.665 0.633 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.278 -2.956 0.932 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.949 -1.777 1.448 1.00 0.00 C ATOM 1143 C GLY A 76 -9.563 -0.517 0.700 1.00 0.00 C ATOM 1144 O GLY A 76 -9.040 -0.583 -0.412 1.00 0.00 O ATOM 0 H GLY A 76 -8.567 -2.769 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.028 -1.919 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.707 -1.658 2.504 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.823 0.635 1.311 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.501 1.916 0.693 1.00 0.00 C ATOM 1150 C GLU A 77 -8.278 2.546 1.352 1.00 0.00 C ATOM 1151 O GLU A 77 -8.255 2.764 2.564 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.694 2.869 0.791 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.789 3.848 -0.367 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.763 4.978 -0.098 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -11.676 5.590 0.988 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.612 5.251 -0.972 1.00 0.00 O ATOM 0 H GLU A 77 -10.255 0.707 2.232 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.274 1.736 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.613 2.284 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.625 3.429 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.802 4.264 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.098 3.313 -1.265 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.262 2.836 0.546 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.034 3.438 1.051 1.00 0.00 C ATOM 1165 C TYR A 78 -5.983 4.927 0.723 1.00 0.00 C ATOM 1166 O TYR A 78 -5.685 5.318 -0.406 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.814 2.732 0.458 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.534 1.382 1.079 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.129 0.229 0.583 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.673 1.260 2.163 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.876 -1.005 1.148 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.413 0.029 2.734 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.018 -1.100 2.223 1.00 0.00 C ATOM 1174 OH TYR A 78 -3.762 -2.329 2.789 1.00 0.00 O ATOM 0 H TYR A 78 -7.265 2.664 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.021 3.322 2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.964 2.605 -0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.939 3.369 0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.801 0.299 -0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.199 2.143 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.348 -1.891 0.750 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.740 -0.049 3.575 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.266 -3.021 2.311 1.00 0.00 H new ATOM 1184 N THR A 79 -6.275 5.757 1.721 1.00 0.00 N ATOM 1185 CA THR A 79 -6.263 7.203 1.541 1.00 0.00 C ATOM 1186 C THR A 79 -4.945 7.805 2.014 1.00 0.00 C ATOM 1187 O THR A 79 -4.649 7.813 3.209 1.00 0.00 O ATOM 1188 CB THR A 79 -7.423 7.873 2.301 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.677 7.452 1.752 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.314 9.389 2.228 1.00 0.00 C ATOM 0 H THR A 79 -6.523 5.451 2.662 1.00 0.00 H new ATOM 0 HA THR A 79 -6.382 7.390 0.474 1.00 0.00 H new ATOM 0 HB THR A 79 -7.366 7.571 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.409 7.881 2.242 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.144 9.840 2.772 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.372 9.708 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.348 9.706 1.186 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.158 8.309 1.070 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.870 8.914 1.391 1.00 0.00 C ATOM 1200 C CYS A 80 -3.019 10.411 1.638 1.00 0.00 C ATOM 1201 O CYS A 80 -2.931 11.215 0.711 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.872 8.669 0.259 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.867 7.180 0.470 1.00 0.00 S ATOM 0 H CYS A 80 -4.389 8.311 0.076 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.495 8.449 2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.417 8.596 -0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.211 9.532 0.179 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.482 6.350 1.259 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.248 10.778 2.896 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.412 12.180 3.264 1.00 0.00 C ATOM 1211 C GLU A 81 -2.056 12.858 3.441 1.00 0.00 C ATOM 1212 O GLU A 81 -1.275 12.489 4.317 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.227 12.299 4.553 1.00 0.00 C ATOM 1214 CG GLU A 81 -5.072 13.560 4.624 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.653 13.796 6.005 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -4.877 13.792 6.983 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -6.883 13.983 6.108 1.00 0.00 O ATOM 0 H GLU A 81 -3.324 10.125 3.676 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.947 12.682 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.878 11.430 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.548 12.278 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.463 14.418 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.883 13.490 3.900 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.785 13.853 2.603 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.525 14.584 2.666 1.00 0.00 C ATOM 1226 C VAL A 82 -0.734 15.992 3.211 1.00 0.00 C ATOM 1227 O VAL A 82 -1.837 16.353 3.620 1.00 0.00 O ATOM 1228 CB VAL A 82 0.141 14.676 1.280 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.427 15.844 0.490 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.651 14.802 1.423 1.00 0.00 C ATOM 0 H VAL A 82 -2.421 14.172 1.872 1.00 0.00 H new ATOM 0 HA VAL A 82 0.129 14.030 3.339 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.075 13.759 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.056 15.892 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.500 15.706 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.245 16.772 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.106 14.866 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.889 15.701 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.041 13.929 1.946 1.00 0.00 H new ATOM 1240 N GLU A 83 0.334 16.784 3.214 1.00 0.00 N ATOM 1241 CA GLU A 83 0.267 18.154 3.709 1.00 0.00 C ATOM 1242 C GLU A 83 -1.122 18.746 3.487 1.00 0.00 C ATOM 1243 O GLU A 83 -1.893 18.919 4.430 1.00 0.00 O ATOM 1244 CB GLU A 83 1.321 19.022 3.019 1.00 0.00 C ATOM 1245 CG GLU A 83 1.782 18.470 1.680 1.00 0.00 C ATOM 1246 CD GLU A 83 2.599 19.471 0.886 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.588 19.999 1.438 1.00 0.00 O ATOM 1248 OE2 GLU A 83 2.250 19.727 -0.285 1.00 0.00 O ATOM 0 H GLU A 83 1.255 16.501 2.880 1.00 0.00 H new ATOM 0 HA GLU A 83 0.468 18.136 4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.915 20.022 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.184 19.123 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.377 17.572 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.912 18.172 1.095 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.432 19.056 2.232 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.727 19.627 1.884 1.00 0.00 C ATOM 1257 C ALA A 84 -3.481 18.726 0.912 1.00 0.00 C ATOM 1258 O ALA A 84 -4.712 18.690 0.911 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.549 21.016 1.289 1.00 0.00 C ATOM 0 H ALA A 84 -0.804 18.921 1.440 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.318 19.708 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.524 21.430 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.059 21.663 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.936 20.951 0.390 1.00 0.00 H new ATOM 1265 N SER A 85 -2.735 18.000 0.085 1.00 0.00 N ATOM 1266 CA SER A 85 -3.334 17.102 -0.896 1.00 0.00 C ATOM 1267 C SER A 85 -3.698 15.765 -0.257 1.00 0.00 C ATOM 1268 O SER A 85 -3.520 15.569 0.945 1.00 0.00 O ATOM 1269 CB SER A 85 -2.374 16.878 -2.066 1.00 0.00 C ATOM 1270 OG SER A 85 -3.079 16.514 -3.241 1.00 0.00 O ATOM 0 H SER A 85 -1.715 18.016 0.075 1.00 0.00 H new ATOM 0 HA SER A 85 -4.247 17.567 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.800 17.787 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.659 16.096 -1.810 1.00 0.00 H new ATOM 0 HG SER A 85 -2.444 16.378 -3.975 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.209 14.848 -1.071 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.597 13.528 -0.589 1.00 0.00 C ATOM 1278 C LYS A 86 -5.062 12.643 -1.741 1.00 0.00 C ATOM 1279 O LYS A 86 -5.631 13.129 -2.719 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.709 13.650 0.455 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.572 12.406 0.573 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.752 12.633 1.504 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.960 13.171 0.751 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.735 12.083 0.095 1.00 0.00 N ATOM 0 H LYS A 86 -4.364 14.995 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.724 13.066 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.262 13.865 1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.343 14.499 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.936 12.119 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.969 11.577 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.015 11.696 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.468 13.335 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.607 13.712 1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.629 13.886 -0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.549 12.491 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.125 11.583 -0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.073 11.414 0.816 1.00 0.00 H new ATOM 1298 N SER A 87 -4.818 11.342 -1.618 1.00 0.00 N ATOM 1299 CA SER A 87 -5.211 10.390 -2.651 1.00 0.00 C ATOM 1300 C SER A 87 -6.094 9.291 -2.069 1.00 0.00 C ATOM 1301 O SER A 87 -6.185 9.129 -0.851 1.00 0.00 O ATOM 1302 CB SER A 87 -3.972 9.772 -3.302 1.00 0.00 C ATOM 1303 OG SER A 87 -4.327 8.968 -4.413 1.00 0.00 O ATOM 0 H SER A 87 -4.350 10.923 -0.814 1.00 0.00 H new ATOM 0 HA SER A 87 -5.781 10.928 -3.408 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.294 10.562 -3.623 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.435 9.169 -2.570 1.00 0.00 H new ATOM 0 HG SER A 87 -4.482 8.047 -4.114 1.00 0.00 H new ATOM 1309 N THR A 88 -6.746 8.536 -2.948 1.00 0.00 N ATOM 1310 CA THR A 88 -7.623 7.453 -2.523 1.00 0.00 C ATOM 1311 C THR A 88 -7.588 6.296 -3.515 1.00 0.00 C ATOM 1312 O THR A 88 -7.588 6.505 -4.728 1.00 0.00 O ATOM 1313 CB THR A 88 -9.078 7.936 -2.367 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.114 9.135 -1.585 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.935 6.867 -1.706 1.00 0.00 C ATOM 0 H THR A 88 -6.683 8.655 -3.959 1.00 0.00 H new ATOM 0 HA THR A 88 -7.256 7.110 -1.556 1.00 0.00 H new ATOM 0 HB THR A 88 -9.480 8.138 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.042 9.437 -1.491 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.958 7.231 -1.606 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.928 5.965 -2.318 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.534 6.638 -0.719 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.559 5.074 -2.992 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.526 3.884 -3.832 1.00 0.00 C ATOM 1325 C ALA A 89 -8.384 2.770 -3.240 1.00 0.00 C ATOM 1326 O ALA A 89 -9.033 2.955 -2.210 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.093 3.407 -4.017 1.00 0.00 C ATOM 0 H ALA A 89 -7.558 4.883 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.938 4.146 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.084 2.517 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.506 4.193 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.661 3.168 -3.045 1.00 0.00 H new ATOM 1333 N SER A 90 -8.382 1.615 -3.897 1.00 0.00 N ATOM 1334 CA SER A 90 -9.164 0.473 -3.438 1.00 0.00 C ATOM 1335 C SER A 90 -8.464 -0.838 -3.782 1.00 0.00 C ATOM 1336 O SER A 90 -8.357 -1.210 -4.952 1.00 0.00 O ATOM 1337 CB SER A 90 -10.560 0.499 -4.064 1.00 0.00 C ATOM 1338 OG SER A 90 -11.465 1.236 -3.261 1.00 0.00 O ATOM 0 H SER A 90 -7.848 1.445 -4.749 1.00 0.00 H new ATOM 0 HA SER A 90 -9.259 0.541 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.508 0.942 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.926 -0.520 -4.188 1.00 0.00 H new ATOM 0 HG SER A 90 -12.349 1.239 -3.683 1.00 0.00 H new ATOM 1344 N LEU A 91 -7.988 -1.535 -2.756 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.298 -2.805 -2.948 1.00 0.00 C ATOM 1346 C LEU A 91 -8.293 -3.934 -3.198 1.00 0.00 C ATOM 1347 O LEU A 91 -9.281 -4.076 -2.477 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.438 -3.131 -1.726 1.00 0.00 C ATOM 1349 CG LEU A 91 -5.916 -4.565 -1.634 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.045 -4.894 -2.836 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.143 -4.770 -0.340 1.00 0.00 C ATOM 0 H LEU A 91 -8.067 -1.242 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.655 -2.711 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.584 -2.454 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.021 -2.920 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.770 -5.243 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.683 -5.919 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.631 -4.789 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.197 -4.211 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.779 -5.796 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.297 -4.083 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.798 -4.577 0.510 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.026 -4.735 -4.225 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.897 -5.853 -4.569 1.00 0.00 C ATOM 1365 C HIS A 92 -8.165 -7.182 -4.407 1.00 0.00 C ATOM 1366 O HIS A 92 -7.036 -7.341 -4.873 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.405 -5.709 -6.004 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.120 -4.417 -6.259 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.404 -4.169 -5.823 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.721 -3.298 -6.908 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.766 -2.954 -6.194 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.762 -2.404 -6.854 1.00 0.00 N ATOM 0 H HIS A 92 -7.214 -4.631 -4.833 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.748 -5.841 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.561 -5.789 -6.689 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.077 -6.537 -6.228 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.763 -3.138 -7.380 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.720 -2.489 -5.992 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.760 -1.467 -7.258 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.814 -8.133 -3.743 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.225 -9.448 -3.520 1.00 0.00 C ATOM 1383 C VAL A 93 -9.268 -10.550 -3.667 1.00 0.00 C ATOM 1384 O VAL A 93 -10.379 -10.438 -3.151 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.584 -9.546 -2.123 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -8.431 -8.814 -1.094 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -7.390 -11.002 -1.728 1.00 0.00 C ATOM 0 H VAL A 93 -9.748 -8.017 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.452 -9.581 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.605 -9.069 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.962 -8.894 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.514 -7.763 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.425 -9.259 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.936 -11.053 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.356 -11.506 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.738 -11.492 -2.452 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.902 -11.614 -4.375 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.807 -12.736 -4.590 1.00 0.00 C ATOM 1399 C GLU A 94 -9.041 -14.056 -4.618 1.00 0.00 C ATOM 1400 O GLU A 94 -8.025 -14.180 -5.301 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.580 -12.554 -5.898 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.839 -11.717 -5.750 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.975 -12.482 -5.098 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.828 -12.871 -3.921 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -14.009 -12.692 -5.765 1.00 0.00 O ATOM 0 H GLU A 94 -7.985 -11.722 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.513 -12.763 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.927 -12.085 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.850 -13.535 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.614 -10.831 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.157 -11.369 -6.733 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.537 -15.037 -3.870 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.898 -16.346 -3.809 1.00 0.00 C ATOM 1414 C GLU A 95 -9.173 -17.146 -5.079 1.00 0.00 C ATOM 1415 O GLU A 95 -10.010 -16.766 -5.897 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.393 -17.123 -2.587 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.571 -18.363 -2.280 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.763 -18.853 -0.857 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.918 -19.140 -0.479 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.757 -18.949 -0.123 1.00 0.00 O ATOM 0 H GLU A 95 -10.378 -14.950 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.822 -16.193 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.380 -16.464 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.430 -17.416 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.846 -19.157 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.516 -18.145 -2.446 1.00 0.00 H new