USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 698 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 Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.56! K(o=-1.6!,f=-0.19) USER MOD Single : A 9 SER OG : rot -95:sc= -1.15 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.313 USER MOD Single : A 22 HIS : no HD1:sc= -0.78 X(o=-0.78,f=-0.87) USER MOD Single : A 24 ASN : amide:sc= -2.57 K(o=-2.6,f=-6!) USER MOD Single : A 26 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.79) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.981 K(o=-0.98,f=-2.4) USER MOD Single : A 32 THR OG1 : rot -151:sc= -1.28 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0297 (180deg=-0.258) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -61:sc= 0.767 USER MOD Single : A 42 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.0034) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -7.18! (180deg=-7.86!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0453 X(o=-0.045,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.29! K(o=-2.3!,f=-0.21) USER MOD Single : A 70 THR OG1 : rot 65:sc= -1.63! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.518 USER MOD Single : A 79 THR OG1 : rot 170:sc= -2.13! USER MOD Single : A 87 GLN : amide:sc= -1.98! K(o=-2!,f=-0.025) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 140:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 6.235 3.128 -14.810 1.00 0.00 N ATOM 20 CA TYR A 3 4.873 2.959 -14.316 1.00 0.00 C ATOM 21 C TYR A 3 4.580 3.945 -13.189 1.00 0.00 C ATOM 22 O TYR A 3 5.243 3.932 -12.152 1.00 0.00 O ATOM 23 CB TYR A 3 4.660 1.525 -13.826 1.00 0.00 C ATOM 24 CG TYR A 3 3.269 1.264 -13.294 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.175 1.213 -14.149 1.00 0.00 C ATOM 26 CD2 TYR A 3 3.050 1.067 -11.936 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.903 0.974 -13.666 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.781 0.827 -11.446 1.00 0.00 C ATOM 29 CZ TYR A 3 0.711 0.782 -12.314 1.00 0.00 C ATOM 30 OH TYR A 3 -0.555 0.543 -11.830 1.00 0.00 O ATOM 0 HA TYR A 3 4.185 3.159 -15.138 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.860 0.837 -14.647 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.386 1.307 -13.043 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.321 1.363 -15.209 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.886 1.102 -11.253 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.063 0.938 -14.344 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.628 0.675 -10.388 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.517 0.429 -10.857 1.00 0.00 H new ATOM 40 N TRP A 4 3.583 4.799 -13.400 1.00 0.00 N ATOM 41 CA TRP A 4 3.207 5.792 -12.400 1.00 0.00 C ATOM 42 C TRP A 4 1.687 5.950 -12.331 1.00 0.00 C ATOM 43 O TRP A 4 1.091 6.630 -13.167 1.00 0.00 O ATOM 44 CB TRP A 4 3.857 7.139 -12.725 1.00 0.00 C ATOM 45 CG TRP A 4 3.596 8.193 -11.692 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.574 9.099 -11.684 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.371 8.451 -10.517 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.667 9.904 -10.575 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.762 9.526 -9.842 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.521 7.876 -9.968 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.264 10.037 -8.648 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.019 8.385 -8.783 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.391 9.455 -8.134 1.00 0.00 C ATOM 0 H TRP A 4 3.023 4.823 -14.252 1.00 0.00 H new ATOM 0 HA TRP A 4 3.561 5.447 -11.429 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.933 6.999 -12.826 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.489 7.488 -13.690 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.805 9.172 -12.439 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.026 10.660 -10.336 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.011 7.049 -10.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.782 10.863 -8.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.908 7.950 -8.350 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.804 9.829 -7.209 1.00 0.00 H new ATOM 64 N PRO A 5 1.036 5.316 -11.335 1.00 0.00 N ATOM 65 CA PRO A 5 -0.421 5.398 -11.167 1.00 0.00 C ATOM 66 C PRO A 5 -0.900 6.831 -10.958 1.00 0.00 C ATOM 67 O PRO A 5 -0.094 7.755 -10.847 1.00 0.00 O ATOM 68 CB PRO A 5 -0.693 4.559 -9.912 1.00 0.00 C ATOM 69 CG PRO A 5 0.501 3.681 -9.766 1.00 0.00 C ATOM 70 CD PRO A 5 1.660 4.469 -10.304 1.00 0.00 C ATOM 0 HA PRO A 5 -0.948 5.043 -12.053 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.826 5.193 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.604 3.971 -10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.663 3.412 -8.722 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.371 2.750 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.138 5.065 -9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.428 3.820 -10.725 1.00 0.00 H new ATOM 78 N ALA A 6 -2.217 7.008 -10.903 1.00 0.00 N ATOM 79 CA ALA A 6 -2.799 8.330 -10.706 1.00 0.00 C ATOM 80 C ALA A 6 -2.649 8.785 -9.258 1.00 0.00 C ATOM 81 O ALA A 6 -2.018 8.107 -8.447 1.00 0.00 O ATOM 82 CB ALA A 6 -4.265 8.328 -11.115 1.00 0.00 C ATOM 0 H ALA A 6 -2.899 6.255 -10.992 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.260 9.036 -11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.687 9.322 -10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.349 8.056 -12.167 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.811 7.605 -10.509 1.00 0.00 H new ATOM 88 N ARG A 7 -3.235 9.936 -8.940 1.00 0.00 N ATOM 89 CA ARG A 7 -3.164 10.486 -7.590 1.00 0.00 C ATOM 90 C ARG A 7 -4.138 9.772 -6.655 1.00 0.00 C ATOM 91 O ARG A 7 -5.338 9.710 -6.925 1.00 0.00 O ATOM 92 CB ARG A 7 -3.464 11.986 -7.620 1.00 0.00 C ATOM 93 CG ARG A 7 -3.334 12.663 -6.267 1.00 0.00 C ATOM 94 CD ARG A 7 -3.589 14.158 -6.366 1.00 0.00 C ATOM 95 NE ARG A 7 -3.456 14.824 -5.073 1.00 0.00 N ATOM 96 CZ ARG A 7 -3.587 16.137 -4.903 1.00 0.00 C ATOM 97 NH1 ARG A 7 -3.854 16.920 -5.940 1.00 0.00 N ATOM 98 NH2 ARG A 7 -3.450 16.667 -3.695 1.00 0.00 N ATOM 0 H ARG A 7 -3.765 10.506 -9.599 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.154 10.330 -7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.786 12.469 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.476 12.137 -7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.041 12.218 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.335 12.489 -5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.888 14.599 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.591 14.329 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.251 14.251 -4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.959 16.516 -6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.954 17.926 -5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.244 16.068 -2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.551 17.674 -3.565 1.00 0.00 H new ATOM 112 N HIS A 8 -3.610 9.237 -5.554 1.00 0.00 N ATOM 113 CA HIS A 8 -4.428 8.521 -4.577 1.00 0.00 C ATOM 114 C HIS A 8 -5.229 7.407 -5.245 1.00 0.00 C ATOM 115 O HIS A 8 -6.259 6.973 -4.727 1.00 0.00 O ATOM 116 CB HIS A 8 -5.375 9.487 -3.859 1.00 0.00 C ATOM 117 CG HIS A 8 -4.679 10.422 -2.918 1.00 0.00 C ATOM 118 ND1 HIS A 8 -4.238 10.039 -1.669 1.00 0.00 N ATOM 119 CD2 HIS A 8 -4.348 11.729 -3.048 1.00 0.00 C ATOM 120 CE1 HIS A 8 -3.667 11.070 -1.071 1.00 0.00 C ATOM 121 NE2 HIS A 8 -3.720 12.106 -1.886 1.00 0.00 N ATOM 0 H HIS A 8 -2.619 9.286 -5.317 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.757 8.072 -3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.917 10.071 -4.603 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.116 8.911 -3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.542 12.357 -3.905 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.231 11.065 -0.083 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.354 13.037 -1.686 1.00 0.00 H new ATOM 130 N SER A 9 -4.744 6.941 -6.393 1.00 0.00 N ATOM 131 CA SER A 9 -5.415 5.876 -7.131 1.00 0.00 C ATOM 132 C SER A 9 -5.414 4.576 -6.333 1.00 0.00 C ATOM 133 O SER A 9 -4.945 4.535 -5.197 1.00 0.00 O ATOM 134 CB SER A 9 -4.739 5.658 -8.486 1.00 0.00 C ATOM 135 OG SER A 9 -3.390 5.256 -8.325 1.00 0.00 O ATOM 0 H SER A 9 -3.889 7.284 -6.832 1.00 0.00 H new ATOM 0 HA SER A 9 -6.449 6.179 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.283 4.900 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.780 6.578 -9.069 1.00 0.00 H new ATOM 0 HG SER A 9 -2.806 6.042 -8.373 1.00 0.00 H new ATOM 141 N GLY A 10 -5.938 3.515 -6.937 1.00 0.00 N ATOM 142 CA GLY A 10 -5.991 2.233 -6.261 1.00 0.00 C ATOM 143 C GLY A 10 -4.624 1.601 -6.084 1.00 0.00 C ATOM 144 O GLY A 10 -4.187 1.359 -4.960 1.00 0.00 O ATOM 0 H GLY A 10 -6.326 3.520 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.455 2.363 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.628 1.555 -6.829 1.00 0.00 H new ATOM 148 N ALA A 11 -3.943 1.340 -7.195 1.00 0.00 N ATOM 149 CA ALA A 11 -2.622 0.721 -7.157 1.00 0.00 C ATOM 150 C ALA A 11 -1.622 1.571 -6.374 1.00 0.00 C ATOM 151 O ALA A 11 -0.690 1.045 -5.764 1.00 0.00 O ATOM 152 CB ALA A 11 -2.121 0.469 -8.570 1.00 0.00 C ATOM 0 H ALA A 11 -4.284 1.548 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.714 -0.233 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.135 0.007 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.812 -0.196 -9.088 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.057 1.415 -9.107 1.00 0.00 H new ATOM 158 N ARG A 12 -1.817 2.886 -6.394 1.00 0.00 N ATOM 159 CA ARG A 12 -0.927 3.795 -5.679 1.00 0.00 C ATOM 160 C ARG A 12 -1.139 3.702 -4.178 1.00 0.00 C ATOM 161 O ARG A 12 -0.207 3.441 -3.417 1.00 0.00 O ATOM 162 CB ARG A 12 -1.160 5.239 -6.138 1.00 0.00 C ATOM 163 CG ARG A 12 -0.936 6.283 -5.052 1.00 0.00 C ATOM 164 CD ARG A 12 -0.917 7.691 -5.624 1.00 0.00 C ATOM 165 NE ARG A 12 -0.758 8.701 -4.581 1.00 0.00 N ATOM 166 CZ ARG A 12 -0.430 9.967 -4.822 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.219 10.376 -6.065 1.00 0.00 N ATOM 168 NH2 ARG A 12 -0.311 10.825 -3.818 1.00 0.00 N ATOM 0 H ARG A 12 -2.579 3.344 -6.894 1.00 0.00 H new ATOM 0 HA ARG A 12 0.098 3.502 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.496 5.454 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.181 5.330 -6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.724 6.205 -4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.007 6.083 -4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.102 7.780 -6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.843 7.874 -6.168 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.907 8.419 -3.612 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.308 9.719 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.032 11.348 -6.246 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.471 10.514 -2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.059 11.796 -4.004 1.00 0.00 H new ATOM 182 N VAL A 13 -2.377 3.920 -3.768 1.00 0.00 N ATOM 183 CA VAL A 13 -2.732 3.895 -2.363 1.00 0.00 C ATOM 184 C VAL A 13 -2.328 2.586 -1.685 1.00 0.00 C ATOM 185 O VAL A 13 -1.975 2.578 -0.506 1.00 0.00 O ATOM 186 CB VAL A 13 -4.248 4.128 -2.178 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.709 3.698 -0.794 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.590 5.589 -2.423 1.00 0.00 C ATOM 0 H VAL A 13 -3.157 4.118 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.178 4.703 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.775 3.515 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.780 3.875 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.502 2.637 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.175 4.274 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.661 5.739 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.045 6.214 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.309 5.863 -3.440 1.00 0.00 H new ATOM 198 N ILE A 14 -2.370 1.484 -2.427 1.00 0.00 N ATOM 199 CA ILE A 14 -2.031 0.186 -1.862 1.00 0.00 C ATOM 200 C ILE A 14 -0.522 0.001 -1.650 1.00 0.00 C ATOM 201 O ILE A 14 -0.089 -0.327 -0.550 1.00 0.00 O ATOM 202 CB ILE A 14 -2.585 -0.974 -2.717 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.935 -1.005 -4.102 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.095 -0.865 -2.847 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.396 -2.162 -4.964 1.00 0.00 C ATOM 0 H ILE A 14 -2.633 1.465 -3.412 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.508 0.162 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.341 -1.907 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.153 -0.070 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.853 -1.059 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.469 -1.691 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.549 -0.907 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.352 0.081 -3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.893 -2.119 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.153 -3.103 -4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.474 -2.098 -5.113 1.00 0.00 H new ATOM 217 N LEU A 15 0.282 0.216 -2.686 1.00 0.00 N ATOM 218 CA LEU A 15 1.727 0.030 -2.544 1.00 0.00 C ATOM 219 C LEU A 15 2.314 0.963 -1.486 1.00 0.00 C ATOM 220 O LEU A 15 3.239 0.593 -0.762 1.00 0.00 O ATOM 221 CB LEU A 15 2.433 0.251 -3.885 1.00 0.00 C ATOM 222 CG LEU A 15 1.928 -0.624 -5.031 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.222 0.032 -6.369 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.565 -2.002 -4.964 1.00 0.00 C ATOM 0 H LEU A 15 -0.028 0.512 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 15 1.892 -0.997 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.321 1.297 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.499 0.069 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 15 0.848 -0.736 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.856 -0.604 -7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.724 1.000 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.298 0.171 -6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.196 -2.614 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.648 -1.906 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.309 -2.476 -4.016 1.00 0.00 H new ATOM 236 N LEU A 16 1.761 2.164 -1.386 1.00 0.00 N ATOM 237 CA LEU A 16 2.247 3.141 -0.436 1.00 0.00 C ATOM 238 C LEU A 16 1.871 2.754 0.988 1.00 0.00 C ATOM 239 O LEU A 16 2.661 2.897 1.926 1.00 0.00 O ATOM 240 CB LEU A 16 1.651 4.494 -0.787 1.00 0.00 C ATOM 241 CG LEU A 16 2.027 5.622 0.154 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.527 5.864 0.122 1.00 0.00 C ATOM 243 CD2 LEU A 16 1.263 6.882 -0.210 1.00 0.00 C ATOM 0 H LEU A 16 0.975 2.480 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 16 3.335 3.185 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.965 4.762 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.565 4.402 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 16 1.755 5.339 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.779 6.677 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.048 4.958 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.831 6.131 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.541 7.686 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.507 7.173 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.192 6.694 -0.132 1.00 0.00 H new ATOM 255 N VAL A 17 0.654 2.266 1.138 1.00 0.00 N ATOM 256 CA VAL A 17 0.159 1.863 2.439 1.00 0.00 C ATOM 257 C VAL A 17 0.880 0.609 2.932 1.00 0.00 C ATOM 258 O VAL A 17 1.105 0.445 4.130 1.00 0.00 O ATOM 259 CB VAL A 17 -1.361 1.656 2.390 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.731 0.297 1.840 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.976 1.869 3.756 1.00 0.00 C ATOM 0 H VAL A 17 -0.010 2.139 0.374 1.00 0.00 H new ATOM 0 HA VAL A 17 0.367 2.660 3.153 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.767 2.402 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.816 0.194 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.342 0.196 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.302 -0.480 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.054 1.717 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.547 1.159 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.771 2.885 4.093 1.00 0.00 H new ATOM 271 N LEU A 18 1.233 -0.278 2.003 1.00 0.00 N ATOM 272 CA LEU A 18 1.980 -1.477 2.351 1.00 0.00 C ATOM 273 C LEU A 18 3.396 -1.078 2.722 1.00 0.00 C ATOM 274 O LEU A 18 4.070 -1.745 3.507 1.00 0.00 O ATOM 275 CB LEU A 18 2.021 -2.443 1.167 1.00 0.00 C ATOM 276 CG LEU A 18 0.854 -3.418 1.059 1.00 0.00 C ATOM 277 CD1 LEU A 18 0.928 -4.464 2.159 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.481 -2.695 1.105 1.00 0.00 C ATOM 0 H LEU A 18 1.014 -0.187 1.011 1.00 0.00 H new ATOM 0 HA LEU A 18 1.493 -1.974 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.066 -1.858 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.945 -3.018 1.225 1.00 0.00 H new ATOM 0 HG LEU A 18 0.930 -3.918 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.087 -5.151 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.862 -5.020 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.889 -3.973 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.291 -3.420 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.570 -2.154 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.542 -1.991 0.275 1.00 0.00 H new ATOM 290 N TYR A 19 3.827 0.031 2.133 1.00 0.00 N ATOM 291 CA TYR A 19 5.170 0.555 2.360 1.00 0.00 C ATOM 292 C TYR A 19 5.446 0.813 3.832 1.00 0.00 C ATOM 293 O TYR A 19 6.355 0.222 4.404 1.00 0.00 O ATOM 294 CB TYR A 19 5.374 1.844 1.560 1.00 0.00 C ATOM 295 CG TYR A 19 6.724 2.496 1.766 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.840 2.075 1.053 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.879 3.542 2.668 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.071 2.677 1.235 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.106 4.147 2.855 1.00 0.00 C ATOM 300 CZ TYR A 19 9.199 3.712 2.137 1.00 0.00 C ATOM 301 OH TYR A 19 10.423 4.313 2.321 1.00 0.00 O ATOM 0 H TYR A 19 3.263 0.588 1.491 1.00 0.00 H new ATOM 0 HA TYR A 19 5.875 -0.205 2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.247 1.624 0.500 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.594 2.555 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.744 1.265 0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.025 3.887 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.929 2.338 0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.209 4.958 3.561 1.00 0.00 H new ATOM 0 HH TYR A 19 10.341 5.025 2.990 1.00 0.00 H new ATOM 311 N ARG A 20 4.642 1.662 4.458 1.00 0.00 N ATOM 312 CA ARG A 20 4.863 1.997 5.862 1.00 0.00 C ATOM 313 C ARG A 20 4.955 0.757 6.743 1.00 0.00 C ATOM 314 O ARG A 20 5.935 0.591 7.469 1.00 0.00 O ATOM 315 CB ARG A 20 3.768 2.933 6.371 1.00 0.00 C ATOM 316 CG ARG A 20 2.368 2.548 5.929 1.00 0.00 C ATOM 317 CD ARG A 20 1.625 1.799 7.022 1.00 0.00 C ATOM 318 NE ARG A 20 1.575 2.560 8.268 1.00 0.00 N ATOM 319 CZ ARG A 20 0.451 3.015 8.812 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.714 2.802 8.216 1.00 0.00 N ATOM 321 NH2 ARG A 20 0.491 3.689 9.954 1.00 0.00 N ATOM 0 H ARG A 20 3.843 2.126 4.026 1.00 0.00 H new ATOM 0 HA ARG A 20 5.823 2.509 5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.800 2.954 7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.981 3.945 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.811 3.445 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.425 1.927 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.610 1.583 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.113 0.841 7.201 1.00 0.00 H new ATOM 0 HE ARG A 20 2.454 2.753 8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.750 2.287 7.336 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.574 3.153 8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.385 3.858 10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.372 4.038 10.371 1.00 0.00 H new ATOM 335 N GLU A 21 3.960 -0.119 6.679 1.00 0.00 N ATOM 336 CA GLU A 21 3.994 -1.327 7.498 1.00 0.00 C ATOM 337 C GLU A 21 5.209 -2.174 7.138 1.00 0.00 C ATOM 338 O GLU A 21 5.739 -2.908 7.971 1.00 0.00 O ATOM 339 CB GLU A 21 2.717 -2.145 7.325 1.00 0.00 C ATOM 340 CG GLU A 21 2.614 -3.299 8.308 1.00 0.00 C ATOM 341 CD GLU A 21 2.503 -2.831 9.746 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.365 -2.628 10.218 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.554 -2.669 10.401 1.00 0.00 O ATOM 0 H GLU A 21 3.137 -0.022 6.084 1.00 0.00 H new ATOM 0 HA GLU A 21 4.066 -1.024 8.543 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.854 -1.491 7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.677 -2.536 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.744 -3.907 8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.490 -3.939 8.205 1.00 0.00 H new ATOM 350 N HIS A 22 5.635 -2.071 5.887 1.00 0.00 N ATOM 351 CA HIS A 22 6.801 -2.824 5.448 1.00 0.00 C ATOM 352 C HIS A 22 8.040 -2.310 6.168 1.00 0.00 C ATOM 353 O HIS A 22 8.942 -3.075 6.506 1.00 0.00 O ATOM 354 CB HIS A 22 6.973 -2.722 3.934 1.00 0.00 C ATOM 355 CG HIS A 22 8.209 -3.393 3.416 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.201 -4.650 2.849 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.495 -2.971 3.372 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.428 -4.972 2.481 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.231 -3.970 2.786 1.00 0.00 N ATOM 0 H HIS A 22 5.202 -1.487 5.172 1.00 0.00 H new ATOM 0 HA HIS A 22 6.658 -3.876 5.696 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.102 -3.163 3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.997 -1.670 3.651 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.871 -2.025 3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.724 -5.898 2.010 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.236 -3.943 2.614 1.00 0.00 H new ATOM 368 N LEU A 23 8.069 -1.001 6.397 1.00 0.00 N ATOM 369 CA LEU A 23 9.186 -0.389 7.101 1.00 0.00 C ATOM 370 C LEU A 23 9.080 -0.651 8.596 1.00 0.00 C ATOM 371 O LEU A 23 9.824 -0.080 9.393 1.00 0.00 O ATOM 372 CB LEU A 23 9.225 1.116 6.834 1.00 0.00 C ATOM 373 CG LEU A 23 9.824 1.513 5.488 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.910 1.110 4.342 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.109 3.007 5.450 1.00 0.00 C ATOM 0 H LEU A 23 7.339 -0.350 6.108 1.00 0.00 H new ATOM 0 HA LEU A 23 10.110 -0.835 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.209 1.507 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.799 1.596 7.627 1.00 0.00 H new ATOM 0 HG LEU A 23 10.767 0.979 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.362 1.405 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.766 0.030 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.946 1.606 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.536 3.271 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.181 3.558 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.815 3.263 6.240 1.00 0.00 H new ATOM 387 N ASN A 24 8.140 -1.515 8.965 1.00 0.00 N ATOM 388 CA ASN A 24 7.934 -1.864 10.369 1.00 0.00 C ATOM 389 C ASN A 24 8.489 -3.251 10.694 1.00 0.00 C ATOM 390 O ASN A 24 7.831 -4.261 10.445 1.00 0.00 O ATOM 391 CB ASN A 24 6.448 -1.823 10.723 1.00 0.00 C ATOM 392 CG ASN A 24 5.905 -0.410 10.796 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.382 0.120 9.819 1.00 0.00 O ATOM 394 ND2 ASN A 24 6.030 0.210 11.963 1.00 0.00 N ATOM 0 H ASN A 24 7.510 -1.986 8.315 1.00 0.00 H new ATOM 0 HA ASN A 24 8.473 -1.126 10.963 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.885 -2.386 9.979 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.293 -2.318 11.682 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.685 1.163 12.073 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.471 -0.267 12.749 1.00 0.00 H new ATOM 401 N PRO A 25 9.713 -3.320 11.248 1.00 0.00 N ATOM 402 CA PRO A 25 10.339 -4.591 11.625 1.00 0.00 C ATOM 403 C PRO A 25 9.582 -5.284 12.749 1.00 0.00 C ATOM 404 O PRO A 25 9.473 -6.510 12.780 1.00 0.00 O ATOM 405 CB PRO A 25 11.734 -4.188 12.118 1.00 0.00 C ATOM 406 CG PRO A 25 11.948 -2.799 11.622 1.00 0.00 C ATOM 407 CD PRO A 25 10.586 -2.174 11.536 1.00 0.00 C ATOM 0 HA PRO A 25 10.354 -5.292 10.790 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.793 -4.229 13.206 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.497 -4.864 11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.592 -2.238 12.299 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.437 -2.804 10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.309 -1.680 12.467 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.536 -1.421 10.749 1.00 0.00 H new ATOM 415 N ASN A 26 9.060 -4.483 13.671 1.00 0.00 N ATOM 416 CA ASN A 26 8.318 -5.016 14.804 1.00 0.00 C ATOM 417 C ASN A 26 6.816 -4.974 14.533 1.00 0.00 C ATOM 418 O ASN A 26 6.002 -5.100 15.448 1.00 0.00 O ATOM 419 CB ASN A 26 8.655 -4.222 16.071 1.00 0.00 C ATOM 420 CG ASN A 26 8.104 -4.864 17.331 1.00 0.00 C ATOM 421 OD1 ASN A 26 8.738 -5.737 17.924 1.00 0.00 O ATOM 422 ND2 ASN A 26 6.924 -4.427 17.753 1.00 0.00 N ATOM 0 H ASN A 26 9.137 -3.466 13.655 1.00 0.00 H new ATOM 0 HA ASN A 26 8.608 -6.056 14.952 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.737 -4.130 16.159 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.255 -3.212 15.979 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.509 -4.817 18.599 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.432 -3.702 17.231 1.00 0.00 H new ATOM 429 N GLY A 27 6.457 -4.808 13.264 1.00 0.00 N ATOM 430 CA GLY A 27 5.051 -4.753 12.909 1.00 0.00 C ATOM 431 C GLY A 27 4.747 -5.542 11.651 1.00 0.00 C ATOM 432 O GLY A 27 3.729 -5.313 10.998 1.00 0.00 O ATOM 0 H GLY A 27 7.106 -4.712 12.483 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.454 -5.143 13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.755 -3.714 12.765 1.00 0.00 H new ATOM 436 N HIS A 28 5.639 -6.473 11.318 1.00 0.00 N ATOM 437 CA HIS A 28 5.482 -7.310 10.131 1.00 0.00 C ATOM 438 C HIS A 28 5.577 -6.474 8.857 1.00 0.00 C ATOM 439 O HIS A 28 5.010 -5.385 8.772 1.00 0.00 O ATOM 440 CB HIS A 28 4.145 -8.055 10.169 1.00 0.00 C ATOM 441 CG HIS A 28 3.961 -8.896 11.394 1.00 0.00 C ATOM 442 ND1 HIS A 28 4.295 -10.233 11.448 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.471 -8.583 12.617 1.00 0.00 C ATOM 444 CE1 HIS A 28 4.018 -10.706 12.650 1.00 0.00 C ATOM 445 NE2 HIS A 28 3.518 -9.725 13.378 1.00 0.00 N ATOM 0 H HIS A 28 6.483 -6.667 11.857 1.00 0.00 H new ATOM 0 HA HIS A 28 6.292 -8.040 10.128 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.333 -7.330 10.111 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.068 -8.691 9.287 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.111 -7.616 12.935 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.174 -11.722 12.981 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.215 -9.803 14.349 1.00 0.00 H new ATOM 454 N HIS A 29 6.298 -6.992 7.869 1.00 0.00 N ATOM 455 CA HIS A 29 6.468 -6.294 6.599 1.00 0.00 C ATOM 456 C HIS A 29 5.310 -6.599 5.652 1.00 0.00 C ATOM 457 O HIS A 29 5.521 -6.920 4.482 1.00 0.00 O ATOM 458 CB HIS A 29 7.793 -6.699 5.947 1.00 0.00 C ATOM 459 CG HIS A 29 9.000 -6.334 6.757 1.00 0.00 C ATOM 460 ND1 HIS A 29 10.020 -5.543 6.271 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.351 -6.662 8.023 1.00 0.00 C ATOM 462 CE1 HIS A 29 10.947 -5.402 7.203 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.564 -6.070 8.275 1.00 0.00 N ATOM 0 H HIS A 29 6.774 -7.892 7.922 1.00 0.00 H new ATOM 0 HA HIS A 29 6.479 -5.223 6.799 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.791 -7.776 5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.866 -6.224 4.968 1.00 0.00 H new ATOM 0 HD1 HIS A 29 10.054 -5.131 5.338 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.783 -7.275 8.707 1.00 0.00 H new ATOM 0 HE1 HIS A 29 11.862 -4.837 7.104 1.00 0.00 H new ATOM 472 N PHE A 30 4.086 -6.484 6.162 1.00 0.00 N ATOM 473 CA PHE A 30 2.897 -6.764 5.355 1.00 0.00 C ATOM 474 C PHE A 30 1.613 -6.426 6.107 1.00 0.00 C ATOM 475 O PHE A 30 1.643 -6.037 7.274 1.00 0.00 O ATOM 476 CB PHE A 30 2.857 -8.242 4.947 1.00 0.00 C ATOM 477 CG PHE A 30 2.825 -9.192 6.113 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.633 -9.470 6.765 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.985 -9.809 6.555 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.598 -10.344 7.833 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.955 -10.685 7.625 1.00 0.00 C ATOM 482 CZ PHE A 30 2.760 -10.952 8.264 1.00 0.00 C ATOM 0 H PHE A 30 3.890 -6.201 7.122 1.00 0.00 H new ATOM 0 HA PHE A 30 2.960 -6.135 4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.978 -8.414 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.730 -8.464 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.721 -8.997 6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.922 -9.604 6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.662 -10.552 8.331 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.865 -11.160 7.961 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.735 -11.636 9.100 1.00 0.00 H new ATOM 492 N LEU A 31 0.486 -6.590 5.418 1.00 0.00 N ATOM 493 CA LEU A 31 -0.818 -6.326 6.008 1.00 0.00 C ATOM 494 C LEU A 31 -1.896 -7.158 5.322 1.00 0.00 C ATOM 495 O LEU A 31 -1.762 -7.518 4.151 1.00 0.00 O ATOM 496 CB LEU A 31 -1.168 -4.845 5.885 1.00 0.00 C ATOM 497 CG LEU A 31 -0.466 -3.916 6.873 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.824 -2.466 6.586 1.00 0.00 C ATOM 499 CD2 LEU A 31 -0.831 -4.282 8.305 1.00 0.00 C ATOM 0 H LEU A 31 0.453 -6.905 4.449 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.773 -6.600 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.930 -4.517 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.245 -4.733 6.011 1.00 0.00 H new ATOM 0 HG LEU A 31 0.611 -4.037 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.315 -1.818 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.512 -2.208 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.902 -2.332 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.321 -3.609 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.909 -4.191 8.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.525 -5.308 8.507 1.00 0.00 H new ATOM 511 N THR A 32 -2.961 -7.463 6.055 1.00 0.00 N ATOM 512 CA THR A 32 -4.066 -8.236 5.505 1.00 0.00 C ATOM 513 C THR A 32 -5.055 -7.310 4.808 1.00 0.00 C ATOM 514 O THR A 32 -5.135 -6.128 5.135 1.00 0.00 O ATOM 515 CB THR A 32 -4.800 -9.037 6.596 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.397 -8.145 7.543 1.00 0.00 O ATOM 517 CG2 THR A 32 -3.842 -9.977 7.315 1.00 0.00 C ATOM 0 H THR A 32 -3.082 -7.187 7.030 1.00 0.00 H new ATOM 0 HA THR A 32 -3.647 -8.942 4.787 1.00 0.00 H new ATOM 0 HB THR A 32 -5.578 -9.631 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.447 -8.583 8.418 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.383 -10.532 8.081 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.411 -10.675 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.045 -9.398 7.782 1.00 0.00 H new ATOM 525 N LYS A 33 -5.818 -7.851 3.863 1.00 0.00 N ATOM 526 CA LYS A 33 -6.783 -7.044 3.120 1.00 0.00 C ATOM 527 C LYS A 33 -7.707 -6.283 4.069 1.00 0.00 C ATOM 528 O LYS A 33 -8.138 -5.169 3.772 1.00 0.00 O ATOM 529 CB LYS A 33 -7.612 -7.931 2.187 1.00 0.00 C ATOM 530 CG LYS A 33 -7.927 -7.290 0.841 1.00 0.00 C ATOM 531 CD LYS A 33 -8.773 -6.034 0.992 1.00 0.00 C ATOM 532 CE LYS A 33 -9.085 -5.404 -0.358 1.00 0.00 C ATOM 533 NZ LYS A 33 -9.843 -6.333 -1.241 1.00 0.00 N ATOM 0 H LYS A 33 -5.789 -8.835 3.595 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.227 -6.319 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.075 -8.864 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.548 -8.188 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.996 -7.041 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.453 -8.008 0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.704 -6.281 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.247 -5.313 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.663 -4.492 -0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.155 -5.115 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.240 -5.803 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.204 -7.073 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.615 -6.773 -0.701 1.00 0.00 H new ATOM 547 N GLU A 34 -7.999 -6.888 5.214 1.00 0.00 N ATOM 548 CA GLU A 34 -8.870 -6.262 6.201 1.00 0.00 C ATOM 549 C GLU A 34 -8.171 -5.096 6.894 1.00 0.00 C ATOM 550 O GLU A 34 -8.791 -4.071 7.179 1.00 0.00 O ATOM 551 CB GLU A 34 -9.312 -7.295 7.239 1.00 0.00 C ATOM 552 CG GLU A 34 -10.031 -8.493 6.639 1.00 0.00 C ATOM 553 CD GLU A 34 -11.318 -8.109 5.936 1.00 0.00 C ATOM 554 OE1 GLU A 34 -12.376 -8.093 6.601 1.00 0.00 O ATOM 555 OE2 GLU A 34 -11.270 -7.826 4.721 1.00 0.00 O ATOM 0 H GLU A 34 -7.647 -7.807 5.481 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.745 -5.873 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.437 -7.644 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.969 -6.812 7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.369 -8.992 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.253 -9.211 7.428 1.00 0.00 H new ATOM 562 N GLU A 35 -6.878 -5.257 7.165 1.00 0.00 N ATOM 563 CA GLU A 35 -6.115 -4.207 7.831 1.00 0.00 C ATOM 564 C GLU A 35 -5.860 -3.036 6.890 1.00 0.00 C ATOM 565 O GLU A 35 -5.850 -1.883 7.312 1.00 0.00 O ATOM 566 CB GLU A 35 -4.784 -4.756 8.351 1.00 0.00 C ATOM 567 CG GLU A 35 -4.943 -5.796 9.448 1.00 0.00 C ATOM 568 CD GLU A 35 -3.614 -6.355 9.918 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.154 -7.360 9.335 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.033 -5.789 10.868 1.00 0.00 O ATOM 0 H GLU A 35 -6.343 -6.095 6.937 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.706 -3.851 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.233 -5.197 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.182 -3.930 8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.465 -5.349 10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.567 -6.611 9.083 1.00 0.00 H new ATOM 577 N LEU A 36 -5.676 -3.345 5.611 1.00 0.00 N ATOM 578 CA LEU A 36 -5.410 -2.309 4.621 1.00 0.00 C ATOM 579 C LEU A 36 -6.534 -1.281 4.587 1.00 0.00 C ATOM 580 O LEU A 36 -6.290 -0.075 4.612 1.00 0.00 O ATOM 581 CB LEU A 36 -5.239 -2.937 3.241 1.00 0.00 C ATOM 582 CG LEU A 36 -4.181 -4.033 3.160 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.230 -4.755 1.822 1.00 0.00 C ATOM 584 CD2 LEU A 36 -2.799 -3.452 3.402 1.00 0.00 C ATOM 0 H LEU A 36 -5.706 -4.294 5.239 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.489 -1.799 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.196 -3.352 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.983 -2.152 2.530 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.396 -4.764 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.463 -5.529 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.211 -5.212 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.051 -4.042 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.055 -4.246 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.585 -2.695 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.764 -2.997 4.392 1.00 0.00 H new ATOM 596 N LEU A 37 -7.764 -1.773 4.523 1.00 0.00 N ATOM 597 CA LEU A 37 -8.941 -0.911 4.492 1.00 0.00 C ATOM 598 C LEU A 37 -8.906 0.097 5.639 1.00 0.00 C ATOM 599 O LEU A 37 -9.372 1.226 5.501 1.00 0.00 O ATOM 600 CB LEU A 37 -10.214 -1.758 4.577 1.00 0.00 C ATOM 601 CG LEU A 37 -10.422 -2.739 3.421 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.663 -3.584 3.656 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.529 -1.992 2.099 1.00 0.00 C ATOM 0 H LEU A 37 -7.975 -2.771 4.491 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.939 -0.361 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.196 -2.320 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.074 -1.089 4.624 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.558 -3.402 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.795 -4.276 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.549 -4.148 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.536 -2.936 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.677 -2.706 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.375 -1.305 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.612 -1.429 1.924 1.00 0.00 H new ATOM 615 N GLN A 38 -8.363 -0.326 6.773 1.00 0.00 N ATOM 616 CA GLN A 38 -8.261 0.554 7.933 1.00 0.00 C ATOM 617 C GLN A 38 -7.157 1.578 7.711 1.00 0.00 C ATOM 618 O GLN A 38 -7.288 2.749 8.066 1.00 0.00 O ATOM 619 CB GLN A 38 -7.980 -0.259 9.198 1.00 0.00 C ATOM 620 CG GLN A 38 -7.874 0.587 10.456 1.00 0.00 C ATOM 621 CD GLN A 38 -7.598 -0.243 11.695 1.00 0.00 C ATOM 622 OE1 GLN A 38 -8.521 -0.694 12.373 1.00 0.00 O ATOM 623 NE2 GLN A 38 -6.321 -0.448 11.997 1.00 0.00 N ATOM 0 H GLN A 38 -7.989 -1.264 6.916 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.209 1.076 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.774 -0.994 9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.051 -0.814 9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.078 1.321 10.330 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.801 1.143 10.595 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.588 -0.055 11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.073 -0.998 12.819 1.00 0.00 H new ATOM 632 N ARG A 39 -6.070 1.108 7.119 1.00 0.00 N ATOM 633 CA ARG A 39 -4.919 1.951 6.827 1.00 0.00 C ATOM 634 C ARG A 39 -5.293 3.120 5.923 1.00 0.00 C ATOM 635 O ARG A 39 -4.874 4.255 6.152 1.00 0.00 O ATOM 636 CB ARG A 39 -3.848 1.112 6.149 1.00 0.00 C ATOM 637 CG ARG A 39 -3.441 -0.115 6.937 1.00 0.00 C ATOM 638 CD ARG A 39 -2.532 0.234 8.104 1.00 0.00 C ATOM 639 NE ARG A 39 -3.231 0.984 9.145 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.651 1.412 10.263 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.367 1.164 10.485 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.356 2.087 11.160 1.00 0.00 N ATOM 0 H ARG A 39 -5.960 0.137 6.828 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.548 2.359 7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.211 0.799 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.968 1.732 5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.333 -0.619 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.931 -0.817 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.124 -0.682 8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.688 0.820 7.742 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.220 1.191 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.822 0.644 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.925 1.493 11.343 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.344 2.278 10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.911 2.415 12.017 1.00 0.00 H new ATOM 656 N CYS A 40 -6.082 2.830 4.894 1.00 0.00 N ATOM 657 CA CYS A 40 -6.505 3.854 3.938 1.00 0.00 C ATOM 658 C CYS A 40 -7.166 5.033 4.649 1.00 0.00 C ATOM 659 O CYS A 40 -7.087 6.171 4.190 1.00 0.00 O ATOM 660 CB CYS A 40 -7.462 3.268 2.897 1.00 0.00 C ATOM 661 SG CYS A 40 -9.172 3.114 3.460 1.00 0.00 S ATOM 0 H CYS A 40 -6.443 1.896 4.698 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.612 4.215 3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.440 3.896 2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.099 2.284 2.601 1.00 0.00 H new ATOM 0 HG CYS A 40 -9.220 2.325 4.492 1.00 0.00 H new ATOM 667 N ALA A 41 -7.833 4.749 5.761 1.00 0.00 N ATOM 668 CA ALA A 41 -8.498 5.802 6.520 1.00 0.00 C ATOM 669 C ALA A 41 -7.548 6.969 6.788 1.00 0.00 C ATOM 670 O ALA A 41 -7.962 8.128 6.805 1.00 0.00 O ATOM 671 CB ALA A 41 -9.041 5.250 7.829 1.00 0.00 C ATOM 0 H ALA A 41 -7.928 3.812 6.154 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.331 6.174 5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.534 6.048 8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.758 4.457 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.220 4.849 8.423 1.00 0.00 H new ATOM 677 N GLN A 42 -6.271 6.653 6.998 1.00 0.00 N ATOM 678 CA GLN A 42 -5.277 7.691 7.260 1.00 0.00 C ATOM 679 C GLN A 42 -4.629 8.137 5.959 1.00 0.00 C ATOM 680 O GLN A 42 -4.121 9.253 5.848 1.00 0.00 O ATOM 681 CB GLN A 42 -4.210 7.176 8.228 1.00 0.00 C ATOM 682 CG GLN A 42 -4.768 6.750 9.577 1.00 0.00 C ATOM 683 CD GLN A 42 -3.692 6.244 10.518 1.00 0.00 C ATOM 684 OE1 GLN A 42 -3.105 7.013 11.278 1.00 0.00 O ATOM 685 NE2 GLN A 42 -3.430 4.943 10.472 1.00 0.00 N ATOM 0 H GLN A 42 -5.905 5.701 6.992 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.779 8.545 7.716 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.696 6.329 7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.464 7.956 8.382 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.281 7.595 10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.513 5.968 9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.942 4.342 9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.717 4.544 11.083 1.00 0.00 H new ATOM 694 N LYS A 43 -4.653 7.241 4.984 1.00 0.00 N ATOM 695 CA LYS A 43 -4.099 7.503 3.663 1.00 0.00 C ATOM 696 C LYS A 43 -4.617 8.831 3.118 1.00 0.00 C ATOM 697 O LYS A 43 -3.973 9.471 2.287 1.00 0.00 O ATOM 698 CB LYS A 43 -4.492 6.351 2.742 1.00 0.00 C ATOM 699 CG LYS A 43 -4.172 6.574 1.271 1.00 0.00 C ATOM 700 CD LYS A 43 -2.682 6.440 0.988 1.00 0.00 C ATOM 701 CE LYS A 43 -2.139 5.094 1.447 1.00 0.00 C ATOM 702 NZ LYS A 43 -0.675 4.982 1.221 1.00 0.00 N ATOM 0 H LYS A 43 -5.058 6.310 5.086 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.013 7.575 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.984 5.447 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.562 6.172 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.723 5.853 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.511 7.566 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.503 6.559 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.142 7.241 1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.354 4.958 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.651 4.294 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.270 4.306 1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.498 4.649 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.231 5.913 1.353 1.00 0.00 H new ATOM 885 N PRO A 56 -9.350 -4.579 -5.336 1.00 0.00 N ATOM 886 CA PRO A 56 -8.976 -5.869 -5.928 1.00 0.00 C ATOM 887 C PRO A 56 -7.854 -5.732 -6.957 1.00 0.00 C ATOM 888 O PRO A 56 -7.232 -6.720 -7.347 1.00 0.00 O ATOM 889 CB PRO A 56 -10.267 -6.334 -6.600 1.00 0.00 C ATOM 890 CG PRO A 56 -11.350 -5.723 -5.782 1.00 0.00 C ATOM 891 CD PRO A 56 -10.817 -4.397 -5.309 1.00 0.00 C ATOM 0 HA PRO A 56 -8.592 -6.566 -5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.317 -6.002 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.341 -7.421 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.257 -5.591 -6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.609 -6.362 -4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.132 -3.583 -5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.172 -4.157 -4.307 1.00 0.00 H new ATOM 899 N ALA A 57 -7.606 -4.498 -7.392 1.00 0.00 N ATOM 900 CA ALA A 57 -6.556 -4.219 -8.365 1.00 0.00 C ATOM 901 C ALA A 57 -5.211 -4.762 -7.893 1.00 0.00 C ATOM 902 O ALA A 57 -4.372 -5.152 -8.705 1.00 0.00 O ATOM 903 CB ALA A 57 -6.460 -2.722 -8.620 1.00 0.00 C ATOM 0 H ALA A 57 -8.121 -3.674 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.815 -4.722 -9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.673 -2.527 -9.348 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.411 -2.357 -9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.227 -2.208 -7.687 1.00 0.00 H new ATOM 909 N LEU A 58 -5.014 -4.785 -6.576 1.00 0.00 N ATOM 910 CA LEU A 58 -3.768 -5.282 -6.003 1.00 0.00 C ATOM 911 C LEU A 58 -3.449 -6.678 -6.526 1.00 0.00 C ATOM 912 O LEU A 58 -2.282 -7.038 -6.684 1.00 0.00 O ATOM 913 CB LEU A 58 -3.838 -5.278 -4.472 1.00 0.00 C ATOM 914 CG LEU A 58 -5.092 -5.910 -3.863 1.00 0.00 C ATOM 915 CD1 LEU A 58 -4.956 -7.421 -3.783 1.00 0.00 C ATOM 916 CD2 LEU A 58 -5.358 -5.324 -2.485 1.00 0.00 C ATOM 0 H LEU A 58 -5.698 -4.467 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.963 -4.615 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.965 -5.803 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.769 -4.247 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.939 -5.683 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.860 -7.845 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.811 -7.827 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.099 -7.677 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.252 -5.781 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.506 -5.523 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.506 -4.247 -2.570 1.00 0.00 H new ATOM 928 N ARG A 59 -4.491 -7.462 -6.790 1.00 0.00 N ATOM 929 CA ARG A 59 -4.294 -8.803 -7.320 1.00 0.00 C ATOM 930 C ARG A 59 -3.520 -8.725 -8.627 1.00 0.00 C ATOM 931 O ARG A 59 -2.585 -9.493 -8.859 1.00 0.00 O ATOM 932 CB ARG A 59 -5.640 -9.496 -7.543 1.00 0.00 C ATOM 933 CG ARG A 59 -6.455 -9.666 -6.272 1.00 0.00 C ATOM 934 CD ARG A 59 -7.777 -10.365 -6.546 1.00 0.00 C ATOM 935 NE ARG A 59 -8.561 -10.549 -5.328 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.751 -11.141 -5.298 1.00 0.00 C ATOM 937 NH1 ARG A 59 -10.294 -11.603 -6.417 1.00 0.00 N ATOM 938 NH2 ARG A 59 -10.400 -11.272 -4.149 1.00 0.00 N ATOM 0 H ARG A 59 -5.465 -7.195 -6.648 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.724 -9.388 -6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.221 -8.919 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.465 -10.476 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.882 -10.242 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.644 -8.689 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.354 -9.782 -7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.586 -11.335 -7.004 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.174 -10.204 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.798 -11.504 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.207 -12.057 -6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.986 -10.918 -3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.313 -11.726 -4.128 1.00 0.00 H new ATOM 952 N SER A 60 -3.923 -7.786 -9.476 1.00 0.00 N ATOM 953 CA SER A 60 -3.251 -7.589 -10.751 1.00 0.00 C ATOM 954 C SER A 60 -1.815 -7.135 -10.523 1.00 0.00 C ATOM 955 O SER A 60 -0.927 -7.426 -11.325 1.00 0.00 O ATOM 956 CB SER A 60 -4.000 -6.556 -11.595 1.00 0.00 C ATOM 957 OG SER A 60 -5.325 -6.982 -11.866 1.00 0.00 O ATOM 0 H SER A 60 -4.706 -7.155 -9.305 1.00 0.00 H new ATOM 0 HA SER A 60 -3.241 -8.537 -11.288 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.022 -5.601 -11.071 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.468 -6.393 -12.532 1.00 0.00 H new ATOM 0 HG SER A 60 -5.783 -6.304 -12.405 1.00 0.00 H new ATOM 963 N LEU A 61 -1.592 -6.418 -9.422 1.00 0.00 N ATOM 964 CA LEU A 61 -0.256 -5.937 -9.097 1.00 0.00 C ATOM 965 C LEU A 61 0.669 -7.097 -8.746 1.00 0.00 C ATOM 966 O LEU A 61 1.864 -7.055 -9.043 1.00 0.00 O ATOM 967 CB LEU A 61 -0.301 -4.915 -7.960 1.00 0.00 C ATOM 968 CG LEU A 61 -0.567 -3.478 -8.406 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.060 -3.213 -8.511 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.095 -2.499 -7.453 1.00 0.00 C ATOM 0 H LEU A 61 -2.313 -6.161 -8.748 1.00 0.00 H new ATOM 0 HA LEU A 61 0.144 -5.439 -9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.076 -5.211 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.648 -4.945 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.134 -3.337 -9.396 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.225 -2.184 -8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.500 -3.894 -9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.527 -3.371 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.103 -1.479 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.307 -2.640 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.171 -2.674 -7.441 1.00 0.00 H new ATOM 982 N LEU A 62 0.118 -8.130 -8.108 1.00 0.00 N ATOM 983 CA LEU A 62 0.914 -9.301 -7.763 1.00 0.00 C ATOM 984 C LEU A 62 1.569 -9.837 -9.025 1.00 0.00 C ATOM 985 O LEU A 62 2.691 -10.345 -9.001 1.00 0.00 O ATOM 986 CB LEU A 62 0.034 -10.391 -7.150 1.00 0.00 C ATOM 987 CG LEU A 62 -0.744 -9.994 -5.890 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.935 -10.919 -5.693 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.158 -10.039 -4.663 1.00 0.00 C ATOM 0 H LEU A 62 -0.861 -8.178 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 62 1.671 -9.014 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.679 -10.722 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.664 -11.247 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.104 -8.973 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.479 -10.626 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.597 -10.849 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.585 -11.946 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.414 -9.754 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.546 -11.049 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.989 -9.346 -4.796 1.00 0.00 H new ATOM 1001 N HIS A 63 0.841 -9.710 -10.130 1.00 0.00 N ATOM 1002 CA HIS A 63 1.317 -10.160 -11.426 1.00 0.00 C ATOM 1003 C HIS A 63 2.472 -9.289 -11.901 1.00 0.00 C ATOM 1004 O HIS A 63 3.430 -9.786 -12.494 1.00 0.00 O ATOM 1005 CB HIS A 63 0.176 -10.125 -12.443 1.00 0.00 C ATOM 1006 CG HIS A 63 0.560 -10.639 -13.796 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.342 -11.940 -14.198 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.149 -10.018 -14.847 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.781 -12.097 -15.434 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.274 -10.946 -15.850 1.00 0.00 N ATOM 0 H HIS A 63 -0.090 -9.294 -10.149 1.00 0.00 H new ATOM 0 HA HIS A 63 1.675 -11.185 -11.330 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.657 -10.716 -12.062 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.180 -9.100 -12.541 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.462 -8.985 -14.887 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.743 -13.012 -16.007 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.682 -10.774 -16.769 1.00 0.00 H new ATOM 1019 N ARG A 64 2.380 -7.985 -11.641 1.00 0.00 N ATOM 1020 CA ARG A 64 3.434 -7.067 -12.041 1.00 0.00 C ATOM 1021 C ARG A 64 4.635 -7.211 -11.120 1.00 0.00 C ATOM 1022 O ARG A 64 5.671 -6.576 -11.324 1.00 0.00 O ATOM 1023 CB ARG A 64 2.919 -5.628 -12.023 1.00 0.00 C ATOM 1024 CG ARG A 64 1.715 -5.410 -12.924 1.00 0.00 C ATOM 1025 CD ARG A 64 1.355 -3.938 -13.034 1.00 0.00 C ATOM 1026 NE ARG A 64 0.192 -3.723 -13.891 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.094 -2.728 -14.767 1.00 0.00 C ATOM 1028 NH1 ARG A 64 1.091 -1.864 -14.909 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.999 -2.598 -15.506 1.00 0.00 N ATOM 0 H ARG A 64 1.593 -7.549 -11.160 1.00 0.00 H new ATOM 0 HA ARG A 64 3.744 -7.312 -13.057 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.653 -5.357 -11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.721 -4.958 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.926 -5.808 -13.916 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.862 -5.965 -12.533 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.152 -3.539 -12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.206 -3.385 -13.432 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.590 -4.374 -13.813 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.935 -1.962 -14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.013 -1.101 -15.582 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.766 -3.262 -15.403 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.073 -1.834 -16.178 1.00 0.00 H new ATOM 1043 N ASN A 65 4.478 -8.051 -10.099 1.00 0.00 N ATOM 1044 CA ASN A 65 5.539 -8.313 -9.139 1.00 0.00 C ATOM 1045 C ASN A 65 5.835 -7.094 -8.270 1.00 0.00 C ATOM 1046 O ASN A 65 6.959 -6.923 -7.799 1.00 0.00 O ATOM 1047 CB ASN A 65 6.810 -8.765 -9.860 1.00 0.00 C ATOM 1048 CG ASN A 65 7.657 -9.677 -8.998 1.00 0.00 C ATOM 1049 OD1 ASN A 65 8.884 -9.683 -9.096 1.00 0.00 O ATOM 1050 ND2 ASN A 65 6.999 -10.459 -8.150 1.00 0.00 N ATOM 0 H ASN A 65 3.616 -8.565 -9.918 1.00 0.00 H new ATOM 0 HA ASN A 65 5.194 -9.112 -8.482 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.540 -9.283 -10.780 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.395 -7.891 -10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.512 -11.100 -7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.981 -10.419 -8.104 1.00 0.00 H new ATOM 1057 N LEU A 66 4.829 -6.248 -8.057 1.00 0.00 N ATOM 1058 CA LEU A 66 5.007 -5.070 -7.212 1.00 0.00 C ATOM 1059 C LEU A 66 4.568 -5.398 -5.794 1.00 0.00 C ATOM 1060 O LEU A 66 5.084 -4.847 -4.821 1.00 0.00 O ATOM 1061 CB LEU A 66 4.212 -3.878 -7.740 1.00 0.00 C ATOM 1062 CG LEU A 66 4.271 -3.654 -9.256 1.00 0.00 C ATOM 1063 CD1 LEU A 66 3.832 -2.241 -9.592 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.670 -3.909 -9.795 1.00 0.00 C ATOM 0 H LEU A 66 3.895 -6.354 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 66 6.062 -4.796 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.169 -4.005 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.573 -2.977 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 66 3.592 -4.363 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.878 -2.093 -10.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.810 -2.086 -9.247 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.493 -1.528 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.681 -3.742 -10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.374 -3.229 -9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.959 -4.939 -9.584 1.00 0.00 H new ATOM 1076 N VAL A 67 3.597 -6.297 -5.695 1.00 0.00 N ATOM 1077 CA VAL A 67 3.094 -6.750 -4.408 1.00 0.00 C ATOM 1078 C VAL A 67 3.347 -8.245 -4.266 1.00 0.00 C ATOM 1079 O VAL A 67 3.751 -8.902 -5.225 1.00 0.00 O ATOM 1080 CB VAL A 67 1.590 -6.461 -4.233 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.352 -4.987 -3.955 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.820 -6.899 -5.458 1.00 0.00 C ATOM 0 H VAL A 67 3.140 -6.729 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 67 3.624 -6.198 -3.632 1.00 0.00 H new ATOM 0 HB VAL A 67 1.232 -7.032 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.284 -4.807 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.873 -4.700 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.728 -4.394 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.240 -6.687 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.185 -6.357 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.959 -7.969 -5.612 1.00 0.00 H new ATOM 1092 N LEU A 68 3.113 -8.783 -3.079 1.00 0.00 N ATOM 1093 CA LEU A 68 3.344 -10.201 -2.840 1.00 0.00 C ATOM 1094 C LEU A 68 2.199 -10.813 -2.042 1.00 0.00 C ATOM 1095 O LEU A 68 1.939 -10.398 -0.918 1.00 0.00 O ATOM 1096 CB LEU A 68 4.662 -10.381 -2.085 1.00 0.00 C ATOM 1097 CG LEU A 68 5.387 -11.710 -2.322 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.762 -11.688 -1.672 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.570 -12.876 -1.788 1.00 0.00 C ATOM 0 H LEU A 68 2.766 -8.265 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 68 3.398 -10.713 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.333 -9.568 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.465 -10.281 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 68 5.510 -11.842 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.264 -12.639 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.354 -10.880 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.655 -11.529 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.105 -13.808 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.412 -12.749 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.606 -12.908 -2.296 1.00 0.00 H new ATOM 1111 N ARG A 69 1.526 -11.804 -2.632 1.00 0.00 N ATOM 1112 CA ARG A 69 0.411 -12.482 -1.970 1.00 0.00 C ATOM 1113 C ARG A 69 0.917 -13.612 -1.086 1.00 0.00 C ATOM 1114 O ARG A 69 1.972 -14.190 -1.346 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.585 -13.033 -2.987 1.00 0.00 C ATOM 1116 CG ARG A 69 0.071 -13.682 -4.191 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.890 -14.614 -4.908 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.282 -15.227 -6.086 1.00 0.00 N ATOM 1119 CZ ARG A 69 -0.917 -16.078 -6.886 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.175 -16.417 -6.634 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.295 -16.592 -7.938 1.00 0.00 N ATOM 0 H ARG A 69 1.735 -12.154 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.098 -11.744 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.226 -13.764 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.229 -12.222 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.415 -12.911 -4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.951 -14.240 -3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.218 -15.395 -4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.779 -14.058 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 69 0.685 -14.989 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.657 -16.024 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.660 -17.070 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.672 -16.335 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.784 -17.245 -8.551 1.00 0.00 H new ATOM 1135 N THR A 70 0.157 -13.932 -0.044 1.00 0.00 N ATOM 1136 CA THR A 70 0.583 -14.974 0.878 1.00 0.00 C ATOM 1137 C THR A 70 -0.514 -16.013 1.164 1.00 0.00 C ATOM 1138 O THR A 70 -1.589 -16.001 0.564 1.00 0.00 O ATOM 1139 CB THR A 70 1.097 -14.351 2.194 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.786 -13.133 1.904 1.00 0.00 O ATOM 1141 CG2 THR A 70 2.055 -15.282 2.921 1.00 0.00 C ATOM 0 H THR A 70 -0.737 -13.495 0.179 1.00 0.00 H new ATOM 0 HA THR A 70 1.396 -15.510 0.389 1.00 0.00 H new ATOM 0 HB THR A 70 0.233 -14.170 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.156 -12.482 1.529 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.395 -14.808 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.545 -16.215 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.913 -15.491 2.283 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.176 -16.912 2.082 1.00 0.00 N ATOM 1150 CA HIS A 71 -0.997 -18.038 2.538 1.00 0.00 C ATOM 1151 C HIS A 71 -2.520 -17.870 2.436 1.00 0.00 C ATOM 1152 O HIS A 71 -3.224 -18.874 2.326 1.00 0.00 O ATOM 1153 CB HIS A 71 -0.656 -18.273 4.004 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.048 -19.608 4.287 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -0.740 -20.796 4.180 1.00 0.00 N ATOM 1156 CD2 HIS A 71 1.205 -19.936 4.676 1.00 0.00 C ATOM 1157 CE1 HIS A 71 0.062 -21.798 4.493 1.00 0.00 C ATOM 1158 NE2 HIS A 71 1.249 -21.303 4.797 1.00 0.00 N ATOM 0 H HIS A 71 0.726 -16.877 2.556 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.759 -18.865 1.869 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.033 -17.496 4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.564 -18.167 4.598 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.019 -19.250 4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.207 -22.844 4.499 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.065 -21.848 5.076 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.035 -16.645 2.492 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.490 -16.437 2.442 1.00 0.00 C ATOM 1169 C GLN A 72 -5.118 -16.862 3.775 1.00 0.00 C ATOM 1170 O GLN A 72 -5.460 -18.034 3.934 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.128 -17.217 1.285 1.00 0.00 C ATOM 1172 CG GLN A 72 -4.548 -16.871 -0.077 1.00 0.00 C ATOM 1173 CD GLN A 72 -5.196 -17.653 -1.202 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -6.190 -17.217 -1.784 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -4.635 -18.815 -1.515 1.00 0.00 N ATOM 0 H GLN A 72 -2.483 -15.791 2.571 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.678 -15.377 2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.000 -18.285 1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.200 -17.021 1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.674 -15.804 -0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.476 -17.069 -0.072 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.812 -19.137 -1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.027 -19.385 -2.264 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.283 -15.944 4.775 1.00 0.00 N ATOM 1185 CA PRO A 73 -4.930 -14.510 4.716 1.00 0.00 C ATOM 1186 C PRO A 73 -3.755 -14.183 3.805 1.00 0.00 C ATOM 1187 O PRO A 73 -2.596 -14.441 4.132 1.00 0.00 O ATOM 1188 CB PRO A 73 -4.584 -14.209 6.167 1.00 0.00 C ATOM 1189 CG PRO A 73 -5.516 -15.068 6.957 1.00 0.00 C ATOM 1190 CD PRO A 73 -5.843 -16.273 6.100 1.00 0.00 C ATOM 0 HA PRO A 73 -5.741 -13.915 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.543 -14.447 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.724 -13.153 6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.054 -15.376 7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.423 -14.519 7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.397 -17.181 6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.918 -16.442 6.046 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.086 -13.615 2.652 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.092 -13.271 1.653 1.00 0.00 C ATOM 1200 C ALA A 74 -2.313 -12.035 2.053 1.00 0.00 C ATOM 1201 O ALA A 74 -2.653 -10.919 1.658 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.750 -13.072 0.295 1.00 0.00 C ATOM 0 H ALA A 74 -5.044 -13.383 2.388 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.387 -14.100 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.990 -12.814 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.250 -13.993 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.481 -12.266 0.360 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.275 -12.235 2.852 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.447 -11.122 3.284 1.00 0.00 C ATOM 1210 C ARG A 75 0.182 -10.455 2.065 1.00 0.00 C ATOM 1211 O ARG A 75 0.751 -11.127 1.208 1.00 0.00 O ATOM 1212 CB ARG A 75 0.639 -11.625 4.238 1.00 0.00 C ATOM 1213 CG ARG A 75 0.094 -12.459 5.389 1.00 0.00 C ATOM 1214 CD ARG A 75 1.164 -13.363 5.987 1.00 0.00 C ATOM 1215 NE ARG A 75 0.720 -13.986 7.230 1.00 0.00 N ATOM 1216 CZ ARG A 75 1.465 -14.827 7.941 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.686 -15.144 7.532 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.989 -15.351 9.063 1.00 0.00 N ATOM 0 H ARG A 75 -0.990 -13.146 3.210 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.061 -10.391 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.358 -12.221 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.181 -10.770 4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.298 -11.799 6.163 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.739 -13.066 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.428 -14.138 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.067 -12.781 6.175 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.215 -13.764 7.573 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.056 -14.742 6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.256 -15.789 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.051 -15.109 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.561 -15.996 9.608 1.00 0.00 H new ATOM 1232 N TYR A 76 0.064 -9.138 1.977 1.00 0.00 N ATOM 1233 CA TYR A 76 0.650 -8.445 0.840 1.00 0.00 C ATOM 1234 C TYR A 76 1.943 -7.755 1.239 1.00 0.00 C ATOM 1235 O TYR A 76 2.050 -7.196 2.329 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.347 -7.459 0.232 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.542 -8.152 -0.383 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.414 -8.869 -1.567 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.789 -8.110 0.226 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.495 -9.520 -2.130 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.875 -8.761 -0.328 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.723 -9.464 -1.505 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.803 -10.113 -2.059 1.00 0.00 O ATOM 0 H TYR A 76 -0.415 -8.545 2.654 1.00 0.00 H new ATOM 0 HA TYR A 76 0.891 -9.183 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.688 -6.769 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.155 -6.862 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.452 -8.918 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.912 -7.560 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.379 -10.069 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.838 -8.719 0.158 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.592 -9.975 -1.495 1.00 0.00 H new ATOM 1253 N SER A 77 2.927 -7.801 0.348 1.00 0.00 N ATOM 1254 CA SER A 77 4.214 -7.190 0.653 1.00 0.00 C ATOM 1255 C SER A 77 4.773 -6.453 -0.558 1.00 0.00 C ATOM 1256 O SER A 77 4.506 -6.821 -1.701 1.00 0.00 O ATOM 1257 CB SER A 77 5.208 -8.255 1.119 1.00 0.00 C ATOM 1258 OG SER A 77 4.741 -8.913 2.284 1.00 0.00 O ATOM 0 H SER A 77 2.862 -8.243 -0.569 1.00 0.00 H new ATOM 0 HA SER A 77 4.061 -6.466 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.364 -8.984 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.174 -7.792 1.321 1.00 0.00 H new ATOM 0 HG SER A 77 5.393 -9.590 2.561 1.00 0.00 H new ATOM 1264 N LEU A 78 5.553 -5.413 -0.293 1.00 0.00 N ATOM 1265 CA LEU A 78 6.158 -4.617 -1.354 1.00 0.00 C ATOM 1266 C LEU A 78 7.413 -5.283 -1.907 1.00 0.00 C ATOM 1267 O LEU A 78 8.322 -5.636 -1.155 1.00 0.00 O ATOM 1268 CB LEU A 78 6.534 -3.229 -0.834 1.00 0.00 C ATOM 1269 CG LEU A 78 5.377 -2.271 -0.555 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.912 -0.860 -0.398 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.340 -2.318 -1.664 1.00 0.00 C ATOM 0 H LEU A 78 5.782 -5.100 0.650 1.00 0.00 H new ATOM 0 HA LEU A 78 5.419 -4.532 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.105 -3.352 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.198 -2.760 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 78 4.889 -2.582 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.086 -0.178 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.617 -0.828 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.419 -0.559 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.530 -1.625 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.804 -2.034 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.940 -3.329 -1.746 1.00 0.00 H new ATOM 1283 N THR A 79 7.457 -5.451 -3.224 1.00 0.00 N ATOM 1284 CA THR A 79 8.620 -6.038 -3.867 1.00 0.00 C ATOM 1285 C THR A 79 9.561 -4.910 -4.310 1.00 0.00 C ATOM 1286 O THR A 79 9.252 -3.746 -4.079 1.00 0.00 O ATOM 1287 CB THR A 79 8.188 -6.898 -5.070 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.777 -6.786 -5.264 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.551 -8.362 -4.856 1.00 0.00 C ATOM 0 H THR A 79 6.705 -5.190 -3.861 1.00 0.00 H new ATOM 0 HA THR A 79 9.143 -6.688 -3.166 1.00 0.00 H new ATOM 0 HB THR A 79 8.715 -6.534 -5.952 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.531 -7.196 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.234 -8.945 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.630 -8.455 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.049 -8.735 -3.963 1.00 0.00 H new ATOM 1297 N PRO A 80 10.718 -5.212 -4.937 1.00 0.00 N ATOM 1298 CA PRO A 80 11.660 -4.173 -5.376 1.00 0.00 C ATOM 1299 C PRO A 80 10.984 -2.988 -6.063 1.00 0.00 C ATOM 1300 O PRO A 80 11.223 -1.837 -5.697 1.00 0.00 O ATOM 1301 CB PRO A 80 12.540 -4.924 -6.368 1.00 0.00 C ATOM 1302 CG PRO A 80 12.590 -6.310 -5.831 1.00 0.00 C ATOM 1303 CD PRO A 80 11.234 -6.567 -5.230 1.00 0.00 C ATOM 0 HA PRO A 80 12.191 -3.728 -4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.118 -4.901 -7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.535 -4.484 -6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.810 -7.028 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.375 -6.411 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.584 -7.102 -5.922 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.305 -7.173 -4.327 1.00 0.00 H new ATOM 1311 N GLU A 81 10.146 -3.265 -7.053 1.00 0.00 N ATOM 1312 CA GLU A 81 9.455 -2.206 -7.777 1.00 0.00 C ATOM 1313 C GLU A 81 8.460 -1.476 -6.879 1.00 0.00 C ATOM 1314 O GLU A 81 8.458 -0.247 -6.817 1.00 0.00 O ATOM 1315 CB GLU A 81 8.738 -2.779 -8.998 1.00 0.00 C ATOM 1316 CG GLU A 81 9.675 -3.235 -10.105 1.00 0.00 C ATOM 1317 CD GLU A 81 10.600 -4.355 -9.670 1.00 0.00 C ATOM 1318 OE1 GLU A 81 10.153 -5.521 -9.654 1.00 0.00 O ATOM 1319 OE2 GLU A 81 11.772 -4.065 -9.349 1.00 0.00 O ATOM 0 H GLU A 81 9.929 -4.209 -7.372 1.00 0.00 H new ATOM 0 HA GLU A 81 10.203 -1.485 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.125 -3.623 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.061 -2.024 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.085 -3.568 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.272 -2.387 -10.441 1.00 0.00 H new ATOM 1326 N GLY A 82 7.613 -2.235 -6.187 1.00 0.00 N ATOM 1327 CA GLY A 82 6.639 -1.613 -5.306 1.00 0.00 C ATOM 1328 C GLY A 82 7.301 -0.766 -4.244 1.00 0.00 C ATOM 1329 O GLY A 82 6.741 0.232 -3.797 1.00 0.00 O ATOM 0 H GLY A 82 7.583 -3.254 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.961 -0.994 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.034 -2.385 -4.830 1.00 0.00 H new ATOM 1333 N LEU A 83 8.501 -1.170 -3.845 1.00 0.00 N ATOM 1334 CA LEU A 83 9.254 -0.447 -2.835 1.00 0.00 C ATOM 1335 C LEU A 83 9.717 0.890 -3.389 1.00 0.00 C ATOM 1336 O LEU A 83 9.504 1.938 -2.781 1.00 0.00 O ATOM 1337 CB LEU A 83 10.466 -1.268 -2.388 1.00 0.00 C ATOM 1338 CG LEU A 83 10.691 -1.348 -0.874 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.791 0.042 -0.265 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.576 -2.137 -0.210 1.00 0.00 C ATOM 0 H LEU A 83 8.973 -1.998 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 83 8.607 -0.274 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.358 -2.281 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.359 -0.844 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 83 11.635 -1.865 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.951 -0.042 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.627 0.577 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.867 0.589 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.753 -2.183 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.621 -1.647 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.553 -3.148 -0.618 1.00 0.00 H new ATOM 1352 N GLU A 84 10.354 0.836 -4.554 1.00 0.00 N ATOM 1353 CA GLU A 84 10.852 2.047 -5.199 1.00 0.00 C ATOM 1354 C GLU A 84 9.725 3.042 -5.406 1.00 0.00 C ATOM 1355 O GLU A 84 9.794 4.179 -4.941 1.00 0.00 O ATOM 1356 CB GLU A 84 11.499 1.719 -6.545 1.00 0.00 C ATOM 1357 CG GLU A 84 12.764 0.891 -6.425 1.00 0.00 C ATOM 1358 CD GLU A 84 13.368 0.548 -7.773 1.00 0.00 C ATOM 1359 OE1 GLU A 84 14.194 1.340 -8.272 1.00 0.00 O ATOM 1360 OE2 GLU A 84 13.013 -0.513 -8.329 1.00 0.00 O ATOM 0 H GLU A 84 10.537 -0.026 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 84 11.604 2.489 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.780 1.181 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.731 2.649 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.497 1.438 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.541 -0.030 -5.886 1.00 0.00 H new ATOM 1367 N LEU A 85 8.686 2.600 -6.101 1.00 0.00 N ATOM 1368 CA LEU A 85 7.549 3.457 -6.364 1.00 0.00 C ATOM 1369 C LEU A 85 6.966 3.984 -5.059 1.00 0.00 C ATOM 1370 O LEU A 85 6.724 5.179 -4.919 1.00 0.00 O ATOM 1371 CB LEU A 85 6.486 2.681 -7.142 1.00 0.00 C ATOM 1372 CG LEU A 85 6.270 3.137 -8.587 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.256 2.241 -9.281 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.815 4.588 -8.630 1.00 0.00 C ATOM 0 H LEU A 85 8.611 1.659 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 85 7.879 4.307 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.762 1.626 -7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.539 2.760 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 85 7.220 3.060 -9.116 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.114 2.579 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.620 1.214 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.306 2.287 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.667 4.892 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.877 4.692 -8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.574 5.221 -8.171 1.00 0.00 H new ATOM 1386 N ALA A 86 6.768 3.087 -4.098 1.00 0.00 N ATOM 1387 CA ALA A 86 6.203 3.473 -2.808 1.00 0.00 C ATOM 1388 C ALA A 86 6.976 4.628 -2.185 1.00 0.00 C ATOM 1389 O ALA A 86 6.378 5.561 -1.651 1.00 0.00 O ATOM 1390 CB ALA A 86 6.171 2.286 -1.862 1.00 0.00 C ATOM 0 H ALA A 86 6.988 2.095 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 86 5.181 3.810 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.747 2.594 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.558 1.494 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.185 1.917 -1.707 1.00 0.00 H new ATOM 1396 N GLN A 87 8.303 4.560 -2.242 1.00 0.00 N ATOM 1397 CA GLN A 87 9.127 5.627 -1.690 1.00 0.00 C ATOM 1398 C GLN A 87 8.748 6.946 -2.345 1.00 0.00 C ATOM 1399 O GLN A 87 8.756 8.002 -1.713 1.00 0.00 O ATOM 1400 CB GLN A 87 10.612 5.336 -1.918 1.00 0.00 C ATOM 1401 CG GLN A 87 11.124 4.129 -1.150 1.00 0.00 C ATOM 1402 CD GLN A 87 12.589 3.845 -1.418 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.469 4.356 -0.725 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.858 3.027 -2.428 1.00 0.00 N ATOM 0 H GLN A 87 8.824 3.788 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 87 8.953 5.689 -0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.782 5.177 -2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.193 6.212 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.979 4.294 -0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.533 3.254 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.097 2.626 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.826 2.799 -2.656 1.00 0.00 H new ATOM 1413 N LYS A 88 8.416 6.859 -3.627 1.00 0.00 N ATOM 1414 CA LYS A 88 8.017 8.033 -4.389 1.00 0.00 C ATOM 1415 C LYS A 88 6.638 8.517 -3.954 1.00 0.00 C ATOM 1416 O LYS A 88 6.449 9.694 -3.648 1.00 0.00 O ATOM 1417 CB LYS A 88 8.004 7.695 -5.876 1.00 0.00 C ATOM 1418 CG LYS A 88 9.225 6.902 -6.323 1.00 0.00 C ATOM 1419 CD LYS A 88 9.157 6.534 -7.796 1.00 0.00 C ATOM 1420 CE LYS A 88 10.255 5.548 -8.174 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.203 5.186 -9.617 1.00 0.00 N ATOM 0 H LYS A 88 8.415 5.989 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 88 8.735 8.832 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.104 7.123 -6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.949 8.619 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.125 7.487 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.306 5.994 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.183 6.099 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.250 7.435 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.228 5.982 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.157 4.646 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.966 4.514 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.284 4.748 -9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.322 6.043 -10.194 1.00 0.00 H new ATOM 1435 N LEU A 89 5.677 7.598 -3.941 1.00 0.00 N ATOM 1436 CA LEU A 89 4.323 7.923 -3.529 1.00 0.00 C ATOM 1437 C LEU A 89 4.331 8.510 -2.125 1.00 0.00 C ATOM 1438 O LEU A 89 3.441 9.268 -1.740 1.00 0.00 O ATOM 1439 CB LEU A 89 3.462 6.659 -3.557 1.00 0.00 C ATOM 1440 CG LEU A 89 2.993 6.211 -4.945 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.166 6.016 -5.891 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.188 4.926 -4.839 1.00 0.00 C ATOM 0 H LEU A 89 5.815 6.624 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 89 3.908 8.659 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.028 5.845 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.584 6.824 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 89 2.359 6.998 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.798 5.698 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.709 6.955 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.834 5.254 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.861 4.619 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.808 4.143 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.317 5.094 -4.206 1.00 0.00 H new ATOM 1454 N ALA A 90 5.358 8.142 -1.373 1.00 0.00 N ATOM 1455 CA ALA A 90 5.506 8.607 0.002 1.00 0.00 C ATOM 1456 C ALA A 90 5.916 10.075 0.058 1.00 0.00 C ATOM 1457 O ALA A 90 5.531 10.801 0.974 1.00 0.00 O ATOM 1458 CB ALA A 90 6.520 7.743 0.732 1.00 0.00 C ATOM 0 H ALA A 90 6.103 7.522 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 90 4.538 8.520 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.626 8.095 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.179 6.708 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.483 7.806 0.225 1.00 0.00 H new ATOM 1464 N GLU A 91 6.700 10.501 -0.925 1.00 0.00 N ATOM 1465 CA GLU A 91 7.159 11.885 -0.983 1.00 0.00 C ATOM 1466 C GLU A 91 5.970 12.834 -0.948 1.00 0.00 C ATOM 1467 O GLU A 91 5.989 13.858 -0.265 1.00 0.00 O ATOM 1468 CB GLU A 91 7.970 12.129 -2.253 1.00 0.00 C ATOM 1469 CG GLU A 91 8.944 11.012 -2.556 1.00 0.00 C ATOM 1470 CD GLU A 91 9.695 11.225 -3.856 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.134 10.906 -4.925 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.844 11.712 -3.804 1.00 0.00 O ATOM 0 H GLU A 91 7.030 9.912 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 91 7.795 12.071 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.289 12.248 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.519 13.065 -2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.659 10.928 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.403 10.067 -2.605 1.00 0.00 H new ATOM 1479 N SER A 92 4.940 12.473 -1.699 1.00 0.00 N ATOM 1480 CA SER A 92 3.729 13.275 -1.774 1.00 0.00 C ATOM 1481 C SER A 92 3.076 13.436 -0.401 1.00 0.00 C ATOM 1482 O SER A 92 2.515 14.488 -0.094 1.00 0.00 O ATOM 1483 CB SER A 92 2.751 12.624 -2.749 1.00 0.00 C ATOM 1484 OG SER A 92 1.572 13.397 -2.888 1.00 0.00 O ATOM 0 H SER A 92 4.920 11.626 -2.267 1.00 0.00 H new ATOM 0 HA SER A 92 3.997 14.270 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.228 12.506 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.494 11.625 -2.397 1.00 0.00 H new ATOM 0 HG SER A 92 1.292 13.401 -3.827 1.00 0.00 H new ATOM 1490 N GLU A 93 3.152 12.393 0.422 1.00 0.00 N ATOM 1491 CA GLU A 93 2.563 12.439 1.753 1.00 0.00 C ATOM 1492 C GLU A 93 3.569 12.969 2.763 1.00 0.00 C ATOM 1493 O GLU A 93 3.292 13.022 3.961 1.00 0.00 O ATOM 1494 CB GLU A 93 2.128 11.040 2.176 1.00 0.00 C ATOM 1495 CG GLU A 93 1.376 10.276 1.103 1.00 0.00 C ATOM 1496 CD GLU A 93 0.004 10.856 0.822 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.967 10.431 1.482 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.099 11.737 -0.058 1.00 0.00 O ATOM 0 H GLU A 93 3.613 11.513 0.191 1.00 0.00 H new ATOM 0 HA GLU A 93 1.699 13.103 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.010 10.468 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.497 11.119 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.962 10.278 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.270 9.236 1.411 1.00 0.00 H new ATOM 1505 N GLY A 94 4.739 13.361 2.272 1.00 0.00 N ATOM 1506 CA GLY A 94 5.769 13.840 3.169 1.00 0.00 C ATOM 1507 C GLY A 94 6.423 12.680 3.887 1.00 0.00 C ATOM 1508 O GLY A 94 7.320 12.863 4.711 1.00 0.00 O ATOM 0 H GLY A 94 4.989 13.356 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.519 14.398 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.337 14.528 3.895 1.00 0.00 H new ATOM 1512 N LEU A 95 5.948 11.478 3.561 1.00 0.00 N ATOM 1513 CA LEU A 95 6.461 10.250 4.151 1.00 0.00 C ATOM 1514 C LEU A 95 6.149 10.193 5.642 1.00 0.00 C ATOM 1515 O LEU A 95 6.856 9.546 6.414 1.00 0.00 O ATOM 1516 CB LEU A 95 7.968 10.132 3.917 1.00 0.00 C ATOM 1517 CG LEU A 95 8.453 8.753 3.454 1.00 0.00 C ATOM 1518 CD1 LEU A 95 9.951 8.613 3.673 1.00 0.00 C ATOM 1519 CD2 LEU A 95 7.697 7.639 4.168 1.00 0.00 C ATOM 0 H LEU A 95 5.200 11.332 2.883 1.00 0.00 H new ATOM 0 HA LEU A 95 5.967 9.408 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.262 10.871 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.484 10.389 4.842 1.00 0.00 H new ATOM 0 HG LEU A 95 8.251 8.664 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.277 7.628 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.475 9.381 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.176 8.729 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.061 6.672 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.856 7.722 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.632 7.725 3.951 1.00 0.00 H new ATOM 1531 N SER A 96 5.075 10.869 6.035 1.00 0.00 N ATOM 1532 CA SER A 96 4.652 10.898 7.429 1.00 0.00 C ATOM 1533 C SER A 96 3.516 9.908 7.666 1.00 0.00 C ATOM 1534 O SER A 96 2.687 10.100 8.555 1.00 0.00 O ATOM 1535 CB SER A 96 4.203 12.309 7.812 1.00 0.00 C ATOM 1536 OG SER A 96 5.265 13.238 7.678 1.00 0.00 O ATOM 0 H SER A 96 4.480 11.406 5.404 1.00 0.00 H new ATOM 0 HA SER A 96 5.499 10.611 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.369 12.612 7.179 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.841 12.312 8.840 1.00 0.00 H new ATOM 0 HG SER A 96 4.951 14.132 7.927 1.00 0.00 H new ATOM 1542 N LEU A 97 3.494 8.840 6.873 1.00 0.00 N ATOM 1543 CA LEU A 97 2.449 7.829 6.999 1.00 0.00 C ATOM 1544 C LEU A 97 2.668 6.970 8.240 1.00 0.00 C ATOM 1545 O LEU A 97 1.903 7.050 9.202 1.00 0.00 O ATOM 1546 CB LEU A 97 2.409 6.939 5.754 1.00 0.00 C ATOM 1547 CG LEU A 97 2.188 7.674 4.429 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.476 8.334 3.955 1.00 0.00 C ATOM 1549 CD2 LEU A 97 1.659 6.715 3.374 1.00 0.00 C ATOM 0 H LEU A 97 4.181 8.653 6.143 1.00 0.00 H new ATOM 0 HA LEU A 97 1.495 8.346 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.347 6.387 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.614 6.204 5.879 1.00 0.00 H new ATOM 0 HG LEU A 97 1.446 8.456 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.295 8.850 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.813 9.052 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.243 7.573 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.507 7.252 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.379 5.912 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.711 6.293 3.708 1.00 0.00 H new