USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 507 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -9.42! USER MOD Single : A 15 GLN :FLIP amide:sc= -1.69! C(o=-3.6!,f=-1.7!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 32:sc= 0.508 USER MOD Single : A 38 TYR OH : rot 80:sc= 0.145 USER MOD Single : A 39 SER OG : rot 180:sc= -0.619 USER MOD Single : A 41 SER OG : rot -32:sc= 0.749 USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= 0.147 (180deg=0.0893) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0.344 (180deg=0.225) USER MOD Single : A 47 SER OG : rot 160:sc= -0.94 USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= 0.322 (180deg=-0.599) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.58 F(o=-3.1!,f=-0.58) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -20:sc= 0.439 USER MOD Single : A 59 MET CE :methyl -158:sc= -0.0669 (180deg=-1.37) USER MOD Single : A 62 SER OG : rot 180:sc=-0.00322 USER MOD Single : A 63 THR OG1 : rot 94:sc= 0.0504 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 70 LYS NZ :NH3+ 131:sc= 0.0118 (180deg=-0.305) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -12.887 6.389 -2.756 1.00 0.00 N ATOM 54 CA ARG A 5 -11.921 5.255 -2.760 1.00 0.00 C ATOM 55 C ARG A 5 -11.285 5.133 -4.147 1.00 0.00 C ATOM 56 O ARG A 5 -11.911 4.696 -5.092 1.00 0.00 O ATOM 57 CB ARG A 5 -12.656 3.957 -2.420 1.00 0.00 C ATOM 58 CG ARG A 5 -11.658 2.797 -2.390 1.00 0.00 C ATOM 59 CD ARG A 5 -12.390 1.503 -2.034 1.00 0.00 C ATOM 60 NE ARG A 5 -13.396 1.195 -3.088 1.00 0.00 N ATOM 61 CZ ARG A 5 -14.228 0.202 -2.927 1.00 0.00 C ATOM 62 NH1 ARG A 5 -14.178 -0.522 -1.842 1.00 0.00 N ATOM 63 NH2 ARG A 5 -15.110 -0.067 -3.850 1.00 0.00 N ATOM 0 HA ARG A 5 -11.144 5.437 -2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.151 4.050 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.433 3.763 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.171 2.697 -3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.874 2.997 -1.659 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.678 0.683 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.881 1.605 -1.066 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.435 1.760 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.489 -0.312 -1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.828 -1.298 -1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.150 0.499 -4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.760 -0.843 -3.724 1.00 0.00 H new ATOM 77 N LYS A 6 -10.045 5.517 -4.276 1.00 0.00 N ATOM 78 CA LYS A 6 -9.368 5.418 -5.601 1.00 0.00 C ATOM 79 C LYS A 6 -8.134 4.521 -5.477 1.00 0.00 C ATOM 80 O LYS A 6 -7.179 4.852 -4.803 1.00 0.00 O ATOM 81 CB LYS A 6 -8.940 6.813 -6.059 1.00 0.00 C ATOM 82 CG LYS A 6 -9.996 7.836 -5.639 1.00 0.00 C ATOM 83 CD LYS A 6 -9.553 8.527 -4.348 1.00 0.00 C ATOM 84 CE LYS A 6 -10.621 9.532 -3.912 1.00 0.00 C ATOM 85 NZ LYS A 6 -10.201 10.183 -2.640 1.00 0.00 N ATOM 0 H LYS A 6 -9.471 5.895 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.056 4.991 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.975 7.070 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.814 6.829 -7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.137 8.574 -6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.956 7.342 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.394 7.787 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.602 9.036 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.766 10.284 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.577 9.027 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.927 10.866 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.084 9.460 -1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.298 10.678 -2.785 1.00 0.00 H new ATOM 99 N ARG A 7 -8.147 3.388 -6.123 1.00 0.00 N ATOM 100 CA ARG A 7 -6.979 2.466 -6.034 1.00 0.00 C ATOM 101 C ARG A 7 -6.060 2.689 -7.238 1.00 0.00 C ATOM 102 O ARG A 7 -6.449 2.493 -8.371 1.00 0.00 O ATOM 103 CB ARG A 7 -7.471 1.018 -6.030 1.00 0.00 C ATOM 104 CG ARG A 7 -6.308 0.084 -5.688 1.00 0.00 C ATOM 105 CD ARG A 7 -6.408 -1.187 -6.532 1.00 0.00 C ATOM 106 NE ARG A 7 -5.925 -0.905 -7.913 1.00 0.00 N ATOM 107 CZ ARG A 7 -6.408 -1.576 -8.923 1.00 0.00 C ATOM 108 NH1 ARG A 7 -7.314 -2.492 -8.724 1.00 0.00 N ATOM 109 NH2 ARG A 7 -5.985 -1.328 -10.133 1.00 0.00 N ATOM 0 H ARG A 7 -8.915 3.060 -6.709 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.429 2.665 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.274 0.898 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.883 0.760 -7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.358 0.585 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.330 -0.168 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.814 -1.983 -6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.440 -1.537 -6.560 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.217 -0.188 -8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.646 -2.684 -7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.691 -3.016 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.277 -0.610 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.362 -1.852 -10.923 1.00 0.00 H new ATOM 123 N TRP A 8 -4.844 3.098 -7.000 1.00 0.00 N ATOM 124 CA TRP A 8 -3.900 3.321 -8.130 1.00 0.00 C ATOM 125 C TRP A 8 -2.863 2.196 -8.159 1.00 0.00 C ATOM 126 O TRP A 8 -2.599 1.557 -7.159 1.00 0.00 O ATOM 127 CB TRP A 8 -3.190 4.664 -7.944 1.00 0.00 C ATOM 128 CG TRP A 8 -4.137 5.776 -8.263 1.00 0.00 C ATOM 129 CD1 TRP A 8 -4.819 5.906 -9.423 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.515 6.916 -7.437 1.00 0.00 C ATOM 131 NE1 TRP A 8 -5.593 7.051 -9.362 1.00 0.00 N ATOM 132 CE2 TRP A 8 -5.440 7.707 -8.156 1.00 0.00 C ATOM 133 CE3 TRP A 8 -4.149 7.333 -6.145 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -5.983 8.872 -7.615 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -4.694 8.506 -5.595 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.609 9.273 -6.330 1.00 0.00 C ATOM 0 H TRP A 8 -4.464 3.287 -6.072 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.453 3.329 -9.069 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.832 4.759 -6.919 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.316 4.719 -8.593 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.768 5.227 -10.261 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.202 7.371 -10.115 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.445 6.748 -5.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.687 9.460 -8.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.407 8.818 -4.602 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.025 10.174 -5.903 1.00 0.00 H new ATOM 147 N GLU A 9 -2.274 1.949 -9.296 1.00 0.00 N ATOM 148 CA GLU A 9 -1.259 0.861 -9.388 1.00 0.00 C ATOM 149 C GLU A 9 0.024 1.298 -8.679 1.00 0.00 C ATOM 150 O GLU A 9 0.359 2.465 -8.643 1.00 0.00 O ATOM 151 CB GLU A 9 -0.955 0.571 -10.860 1.00 0.00 C ATOM 152 CG GLU A 9 0.056 -0.573 -10.956 1.00 0.00 C ATOM 153 CD GLU A 9 0.339 -0.881 -12.428 1.00 0.00 C ATOM 154 OE1 GLU A 9 -0.060 -0.091 -13.265 1.00 0.00 O ATOM 155 OE2 GLU A 9 0.954 -1.902 -12.691 1.00 0.00 O ATOM 0 H GLU A 9 -2.451 2.453 -10.165 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.648 -0.039 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.872 0.305 -11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.557 1.464 -11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.980 -0.300 -10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.334 -1.460 -10.456 1.00 0.00 H new ATOM 162 N CYS A 10 0.745 0.369 -8.113 1.00 0.00 N ATOM 163 CA CYS A 10 2.005 0.732 -7.405 1.00 0.00 C ATOM 164 C CYS A 10 3.207 0.291 -8.244 1.00 0.00 C ATOM 165 O CYS A 10 3.531 -0.877 -8.312 1.00 0.00 O ATOM 166 CB CYS A 10 2.047 0.032 -6.046 1.00 0.00 C ATOM 167 SG CYS A 10 0.684 0.629 -5.017 1.00 0.00 S ATOM 0 H CYS A 10 0.516 -0.625 -8.110 1.00 0.00 H new ATOM 0 HA CYS A 10 2.041 1.811 -7.258 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.971 -1.047 -6.178 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.000 0.226 -5.554 1.00 0.00 H new ATOM 0 HG CYS A 10 0.718 0.032 -3.863 1.00 0.00 H new ATOM 173 N PRO A 11 3.859 1.228 -8.879 1.00 0.00 N ATOM 174 CA PRO A 11 5.042 0.946 -9.740 1.00 0.00 C ATOM 175 C PRO A 11 6.306 0.675 -8.918 1.00 0.00 C ATOM 176 O PRO A 11 7.247 0.069 -9.390 1.00 0.00 O ATOM 177 CB PRO A 11 5.206 2.224 -10.563 1.00 0.00 C ATOM 178 CG PRO A 11 4.597 3.310 -9.739 1.00 0.00 C ATOM 179 CD PRO A 11 3.535 2.661 -8.840 1.00 0.00 C ATOM 0 HA PRO A 11 4.896 0.052 -10.347 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.257 2.428 -10.766 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.706 2.136 -11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.357 3.808 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.147 4.070 -10.377 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.580 3.052 -7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.528 2.852 -9.211 1.00 0.00 H new ATOM 187 N ALA A 12 6.334 1.119 -7.691 1.00 0.00 N ATOM 188 CA ALA A 12 7.531 0.877 -6.838 1.00 0.00 C ATOM 189 C ALA A 12 7.429 -0.508 -6.196 1.00 0.00 C ATOM 190 O ALA A 12 8.416 -1.190 -6.006 1.00 0.00 O ATOM 191 CB ALA A 12 7.601 1.942 -5.742 1.00 0.00 C ATOM 0 H ALA A 12 5.579 1.639 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 12 8.430 0.928 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.477 1.765 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.674 2.929 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.702 1.892 -5.128 1.00 0.00 H new ATOM 197 N LEU A 13 6.240 -0.930 -5.860 1.00 0.00 N ATOM 198 CA LEU A 13 6.075 -2.272 -5.233 1.00 0.00 C ATOM 199 C LEU A 13 6.044 -3.343 -6.324 1.00 0.00 C ATOM 200 O LEU A 13 5.721 -3.072 -7.464 1.00 0.00 O ATOM 201 CB LEU A 13 4.765 -2.308 -4.444 1.00 0.00 C ATOM 202 CG LEU A 13 4.934 -1.532 -3.136 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.632 -0.201 -3.419 1.00 0.00 C ATOM 204 CD2 LEU A 13 3.557 -1.265 -2.523 1.00 0.00 C ATOM 0 H LEU A 13 5.376 -0.404 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 13 6.910 -2.464 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.960 -1.873 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.484 -3.340 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 13 5.536 -2.117 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.752 0.352 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.612 -0.390 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.030 0.385 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.675 -0.712 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.956 -0.679 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.058 -2.213 -2.322 1.00 0.00 H new ATOM 216 N PRO A 14 6.376 -4.555 -5.971 1.00 0.00 N ATOM 217 CA PRO A 14 6.378 -5.702 -6.923 1.00 0.00 C ATOM 218 C PRO A 14 5.053 -5.827 -7.681 1.00 0.00 C ATOM 219 O PRO A 14 3.989 -5.640 -7.124 1.00 0.00 O ATOM 220 CB PRO A 14 6.598 -6.922 -6.027 1.00 0.00 C ATOM 221 CG PRO A 14 7.273 -6.399 -4.801 1.00 0.00 C ATOM 222 CD PRO A 14 6.791 -4.961 -4.620 1.00 0.00 C ATOM 0 HA PRO A 14 7.141 -5.586 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.652 -7.403 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.215 -7.670 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.021 -7.005 -3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.357 -6.434 -4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.963 -4.903 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.584 -4.319 -4.236 1.00 0.00 H new ATOM 230 N GLN A 15 5.109 -6.144 -8.945 1.00 0.00 N ATOM 231 CA GLN A 15 3.854 -6.277 -9.737 1.00 0.00 C ATOM 232 C GLN A 15 2.834 -7.096 -8.942 1.00 0.00 C ATOM 233 O GLN A 15 3.092 -8.220 -8.558 1.00 0.00 O ATOM 234 CB GLN A 15 4.158 -6.984 -11.059 1.00 0.00 C ATOM 235 CG GLN A 15 5.101 -6.119 -11.896 1.00 0.00 C ATOM 236 CD GLN A 15 6.550 -6.415 -11.505 1.00 0.00 C ATOM 237 OE1 GLN A 15 7.199 -5.562 -10.760 1.00 0.00 O flip ATOM 238 NE2 GLN A 15 7.096 -7.433 -11.880 1.00 0.00 N flip ATOM 0 H GLN A 15 5.970 -6.317 -9.464 1.00 0.00 H new ATOM 0 HA GLN A 15 3.446 -5.287 -9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.613 -7.956 -10.867 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.233 -7.167 -11.607 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.951 -6.321 -12.957 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.879 -5.064 -11.738 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.588 -8.099 -12.462 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.062 -7.622 -11.613 1.00 0.00 H new ATOM 247 N GLY A 16 1.679 -6.543 -8.695 1.00 0.00 N ATOM 248 CA GLY A 16 0.647 -7.289 -7.921 1.00 0.00 C ATOM 249 C GLY A 16 0.238 -6.474 -6.694 1.00 0.00 C ATOM 250 O GLY A 16 -0.802 -6.697 -6.106 1.00 0.00 O ATOM 0 H GLY A 16 1.405 -5.607 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.223 -7.482 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.039 -8.258 -7.612 1.00 0.00 H new ATOM 254 N TRP A 17 1.047 -5.528 -6.301 1.00 0.00 N ATOM 255 CA TRP A 17 0.696 -4.691 -5.119 1.00 0.00 C ATOM 256 C TRP A 17 -0.042 -3.435 -5.584 1.00 0.00 C ATOM 257 O TRP A 17 0.162 -2.953 -6.680 1.00 0.00 O ATOM 258 CB TRP A 17 1.976 -4.288 -4.383 1.00 0.00 C ATOM 259 CG TRP A 17 2.570 -5.490 -3.721 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.996 -6.599 -4.368 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.810 -5.722 -2.304 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.484 -7.499 -3.436 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.390 -7.003 -2.149 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.584 -4.953 -1.148 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.733 -7.504 -0.894 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.928 -5.455 0.118 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.501 -6.728 0.245 1.00 0.00 C ATOM 0 H TRP A 17 1.935 -5.299 -6.747 1.00 0.00 H new ATOM 0 HA TRP A 17 0.054 -5.261 -4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.690 -3.855 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.755 -3.522 -3.640 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.961 -6.756 -5.436 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.866 -8.415 -3.670 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.143 -3.971 -1.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.175 -8.485 -0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.750 -4.856 0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.763 -7.108 1.221 1.00 0.00 H new ATOM 278 N GLU A 18 -0.900 -2.899 -4.759 1.00 0.00 N ATOM 279 CA GLU A 18 -1.660 -1.682 -5.160 1.00 0.00 C ATOM 280 C GLU A 18 -1.954 -0.833 -3.922 1.00 0.00 C ATOM 281 O GLU A 18 -1.875 -1.301 -2.802 1.00 0.00 O ATOM 282 CB GLU A 18 -2.978 -2.098 -5.818 1.00 0.00 C ATOM 283 CG GLU A 18 -2.690 -2.769 -7.162 1.00 0.00 C ATOM 284 CD GLU A 18 -4.007 -3.208 -7.806 1.00 0.00 C ATOM 285 OE1 GLU A 18 -4.829 -3.772 -7.102 1.00 0.00 O ATOM 286 OE2 GLU A 18 -4.170 -2.975 -8.991 1.00 0.00 O ATOM 0 H GLU A 18 -1.107 -3.252 -3.825 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.068 -1.100 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.521 -2.783 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.615 -1.225 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.164 -2.078 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.038 -3.631 -7.018 1.00 0.00 H new ATOM 293 N ARG A 19 -2.293 0.413 -4.114 1.00 0.00 N ATOM 294 CA ARG A 19 -2.601 1.289 -2.949 1.00 0.00 C ATOM 295 C ARG A 19 -3.796 2.182 -3.284 1.00 0.00 C ATOM 296 O ARG A 19 -3.978 2.594 -4.413 1.00 0.00 O ATOM 297 CB ARG A 19 -1.385 2.162 -2.631 1.00 0.00 C ATOM 298 CG ARG A 19 -1.196 3.197 -3.743 1.00 0.00 C ATOM 299 CD ARG A 19 0.032 4.057 -3.435 1.00 0.00 C ATOM 300 NE ARG A 19 1.269 3.283 -3.736 1.00 0.00 N ATOM 301 CZ ARG A 19 1.780 3.311 -4.937 1.00 0.00 C ATOM 302 NH1 ARG A 19 1.209 4.020 -5.873 1.00 0.00 N ATOM 303 NH2 ARG A 19 2.863 2.633 -5.201 1.00 0.00 N ATOM 0 H ARG A 19 -2.370 0.861 -5.027 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.841 0.671 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.524 2.663 -1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.493 1.543 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.071 2.696 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.083 3.826 -3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.008 4.970 -4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.025 4.358 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 19 1.716 2.731 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.364 4.552 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.608 4.042 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.310 2.081 -4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.262 2.655 -6.139 1.00 0.00 H new ATOM 317 N GLU A 20 -4.614 2.486 -2.313 1.00 0.00 N ATOM 318 CA GLU A 20 -5.810 3.333 -2.585 1.00 0.00 C ATOM 319 C GLU A 20 -5.997 4.334 -1.442 1.00 0.00 C ATOM 320 O GLU A 20 -5.700 4.048 -0.298 1.00 0.00 O ATOM 321 CB GLU A 20 -7.051 2.446 -2.693 1.00 0.00 C ATOM 322 CG GLU A 20 -7.657 2.242 -1.303 1.00 0.00 C ATOM 323 CD GLU A 20 -8.632 1.064 -1.338 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.535 0.266 -2.257 1.00 0.00 O ATOM 325 OE2 GLU A 20 -9.459 0.979 -0.445 1.00 0.00 O ATOM 0 H GLU A 20 -4.506 2.185 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.667 3.872 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.783 2.907 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.786 1.483 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.868 2.053 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.175 3.147 -0.984 1.00 0.00 H new ATOM 332 N GLU A 21 -6.486 5.506 -1.743 1.00 0.00 N ATOM 333 CA GLU A 21 -6.714 6.515 -0.671 1.00 0.00 C ATOM 334 C GLU A 21 -8.206 6.577 -0.338 1.00 0.00 C ATOM 335 O GLU A 21 -9.049 6.511 -1.212 1.00 0.00 O ATOM 336 CB GLU A 21 -6.242 7.888 -1.156 1.00 0.00 C ATOM 337 CG GLU A 21 -4.723 7.871 -1.338 1.00 0.00 C ATOM 338 CD GLU A 21 -4.266 9.200 -1.943 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.113 10.050 -2.165 1.00 0.00 O ATOM 340 OE2 GLU A 21 -3.077 9.345 -2.177 1.00 0.00 O ATOM 0 H GLU A 21 -6.737 5.808 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.155 6.232 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.729 8.140 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.524 8.656 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.233 7.709 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.433 7.045 -1.987 1.00 0.00 H new ATOM 347 N VAL A 22 -8.541 6.701 0.917 1.00 0.00 N ATOM 348 CA VAL A 22 -9.980 6.758 1.303 1.00 0.00 C ATOM 349 C VAL A 22 -10.167 7.767 2.436 1.00 0.00 C ATOM 350 O VAL A 22 -9.554 7.664 3.479 1.00 0.00 O ATOM 351 CB VAL A 22 -10.436 5.376 1.771 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.964 5.303 1.736 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.854 4.306 0.843 1.00 0.00 C ATOM 0 H VAL A 22 -7.881 6.765 1.692 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.574 7.066 0.443 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.087 5.204 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.289 4.318 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.380 6.065 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.313 5.475 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.179 3.320 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.203 4.478 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.765 4.357 0.867 1.00 0.00 H new ATOM 363 N PRO A 23 -11.016 8.735 2.227 1.00 0.00 N ATOM 364 CA PRO A 23 -11.319 9.780 3.247 1.00 0.00 C ATOM 365 C PRO A 23 -12.219 9.250 4.367 1.00 0.00 C ATOM 366 O PRO A 23 -13.194 8.567 4.122 1.00 0.00 O ATOM 367 CB PRO A 23 -12.040 10.865 2.450 1.00 0.00 C ATOM 368 CG PRO A 23 -12.666 10.158 1.292 1.00 0.00 C ATOM 369 CD PRO A 23 -11.784 8.941 0.990 1.00 0.00 C ATOM 0 HA PRO A 23 -10.417 10.134 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.793 11.365 3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.344 11.632 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.683 9.849 1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.728 10.816 0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.385 8.065 0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.127 9.126 0.140 1.00 0.00 H new ATOM 377 N ARG A 24 -11.901 9.558 5.595 1.00 0.00 N ATOM 378 CA ARG A 24 -12.739 9.069 6.725 1.00 0.00 C ATOM 379 C ARG A 24 -14.129 9.702 6.642 1.00 0.00 C ATOM 380 O ARG A 24 -14.284 10.830 6.218 1.00 0.00 O ATOM 381 CB ARG A 24 -12.081 9.458 8.052 1.00 0.00 C ATOM 382 CG ARG A 24 -12.863 8.837 9.211 1.00 0.00 C ATOM 383 CD ARG A 24 -11.998 8.842 10.473 1.00 0.00 C ATOM 384 NE ARG A 24 -10.906 7.839 10.331 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.432 7.236 11.386 1.00 0.00 C ATOM 386 NH1 ARG A 24 -10.914 7.513 12.568 1.00 0.00 N ATOM 387 NH2 ARG A 24 -9.475 6.358 11.262 1.00 0.00 N ATOM 0 H ARG A 24 -11.098 10.127 5.864 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.830 7.984 6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.047 9.114 8.072 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.058 10.543 8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.782 9.397 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.154 7.817 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.576 9.834 10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.608 8.610 11.346 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.529 7.624 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.661 8.201 12.666 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.543 7.042 13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.097 6.143 10.339 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.105 5.887 12.088 1.00 0.00 H new ATOM 490 N HIS A 32 -9.691 13.584 8.661 1.00 0.00 N ATOM 491 CA HIS A 32 -8.390 13.126 8.103 1.00 0.00 C ATOM 492 C HIS A 32 -8.637 12.020 7.074 1.00 0.00 C ATOM 493 O HIS A 32 -9.716 11.466 6.991 1.00 0.00 O ATOM 494 CB HIS A 32 -7.513 12.582 9.233 1.00 0.00 C ATOM 495 CG HIS A 32 -7.140 13.704 10.162 1.00 0.00 C ATOM 496 ND1 HIS A 32 -7.850 13.969 11.324 1.00 0.00 N ATOM 497 CD2 HIS A 32 -6.133 14.639 10.115 1.00 0.00 C ATOM 498 CE1 HIS A 32 -7.267 15.025 11.924 1.00 0.00 C ATOM 499 NE2 HIS A 32 -6.219 15.467 11.227 1.00 0.00 N ATOM 0 HA HIS A 32 -7.886 13.965 7.623 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.047 11.805 9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.614 12.122 8.821 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.390 14.717 9.335 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.606 15.459 12.853 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.608 16.250 11.462 1.00 0.00 H new ATOM 508 N ARG A 33 -7.648 11.695 6.288 1.00 0.00 N ATOM 509 CA ARG A 33 -7.826 10.623 5.268 1.00 0.00 C ATOM 510 C ARG A 33 -6.866 9.471 5.566 1.00 0.00 C ATOM 511 O ARG A 33 -5.701 9.677 5.843 1.00 0.00 O ATOM 512 CB ARG A 33 -7.530 11.188 3.878 1.00 0.00 C ATOM 513 CG ARG A 33 -6.128 11.801 3.863 1.00 0.00 C ATOM 514 CD ARG A 33 -5.858 12.424 2.493 1.00 0.00 C ATOM 515 NE ARG A 33 -6.768 13.586 2.286 1.00 0.00 N ATOM 516 CZ ARG A 33 -6.747 14.240 1.156 1.00 0.00 C ATOM 517 NH1 ARG A 33 -5.927 13.874 0.207 1.00 0.00 N ATOM 518 NH2 ARG A 33 -7.543 15.258 0.975 1.00 0.00 N ATOM 0 H ARG A 33 -6.724 12.126 6.308 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.852 10.257 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.601 10.398 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.271 11.943 3.615 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.043 12.559 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.383 11.036 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.819 12.746 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.013 11.683 1.708 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.408 13.871 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.305 13.079 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.909 14.384 -0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.182 15.544 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.526 15.768 0.092 1.00 0.00 H new ATOM 532 N ASP A 34 -7.345 8.259 5.511 1.00 0.00 N ATOM 533 CA ASP A 34 -6.464 7.095 5.812 1.00 0.00 C ATOM 534 C ASP A 34 -6.098 6.383 4.509 1.00 0.00 C ATOM 535 O ASP A 34 -6.908 6.256 3.611 1.00 0.00 O ATOM 536 CB ASP A 34 -7.202 6.122 6.735 1.00 0.00 C ATOM 537 CG ASP A 34 -7.390 6.766 8.110 1.00 0.00 C ATOM 538 OD1 ASP A 34 -6.686 7.720 8.397 1.00 0.00 O ATOM 539 OD2 ASP A 34 -8.237 6.295 8.852 1.00 0.00 O ATOM 0 H ASP A 34 -8.308 8.024 5.271 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.556 7.444 6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.171 5.863 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.637 5.195 6.830 1.00 0.00 H new ATOM 544 N VAL A 35 -4.885 5.916 4.397 1.00 0.00 N ATOM 545 CA VAL A 35 -4.471 5.205 3.155 1.00 0.00 C ATOM 546 C VAL A 35 -4.288 3.717 3.458 1.00 0.00 C ATOM 547 O VAL A 35 -3.705 3.343 4.456 1.00 0.00 O ATOM 548 CB VAL A 35 -3.151 5.789 2.649 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.777 5.128 1.319 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.308 7.296 2.441 1.00 0.00 C ATOM 0 H VAL A 35 -4.162 5.996 5.112 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.239 5.329 2.391 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.366 5.602 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.836 5.544 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.666 4.054 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.562 5.316 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.368 7.713 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.093 7.482 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.575 7.768 3.386 1.00 0.00 H new ATOM 560 N PHE A 36 -4.783 2.862 2.604 1.00 0.00 N ATOM 561 CA PHE A 36 -4.645 1.400 2.849 1.00 0.00 C ATOM 562 C PHE A 36 -3.913 0.752 1.672 1.00 0.00 C ATOM 563 O PHE A 36 -4.084 1.139 0.534 1.00 0.00 O ATOM 564 CB PHE A 36 -6.033 0.773 2.993 1.00 0.00 C ATOM 565 CG PHE A 36 -6.811 1.511 4.057 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.419 1.421 5.399 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.921 2.287 3.702 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.140 2.106 6.385 1.00 0.00 C ATOM 569 CE2 PHE A 36 -8.642 2.971 4.689 1.00 0.00 C ATOM 570 CZ PHE A 36 -8.250 2.881 6.030 1.00 0.00 C ATOM 0 H PHE A 36 -5.277 3.114 1.748 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.076 1.238 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.564 0.817 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.942 -0.280 3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.562 0.824 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.221 2.358 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.839 2.036 7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.500 3.567 4.416 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.805 3.410 6.791 1.00 0.00 H new ATOM 580 N TYR A 37 -3.098 -0.233 1.938 1.00 0.00 N ATOM 581 CA TYR A 37 -2.357 -0.905 0.835 1.00 0.00 C ATOM 582 C TYR A 37 -2.809 -2.363 0.731 1.00 0.00 C ATOM 583 O TYR A 37 -3.158 -2.985 1.715 1.00 0.00 O ATOM 584 CB TYR A 37 -0.856 -0.855 1.124 1.00 0.00 C ATOM 585 CG TYR A 37 -0.345 0.547 0.894 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.560 1.538 1.860 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.341 0.858 -0.286 1.00 0.00 C ATOM 588 CE1 TYR A 37 -0.088 2.838 1.646 1.00 0.00 C ATOM 589 CE2 TYR A 37 0.814 2.158 -0.499 1.00 0.00 C ATOM 590 CZ TYR A 37 0.599 3.149 0.467 1.00 0.00 C ATOM 591 OH TYR A 37 1.065 4.430 0.256 1.00 0.00 O ATOM 0 H TYR A 37 -2.914 -0.600 2.872 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.563 -0.393 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.663 -1.160 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.327 -1.557 0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.090 1.299 2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.505 0.095 -1.032 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.254 3.602 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.345 2.397 -1.409 1.00 0.00 H new ATOM 0 HH TYR A 37 1.307 4.836 1.115 1.00 0.00 H new ATOM 601 N TYR A 38 -2.808 -2.912 -0.453 1.00 0.00 N ATOM 602 CA TYR A 38 -3.248 -4.326 -0.619 1.00 0.00 C ATOM 603 C TYR A 38 -2.169 -5.111 -1.369 1.00 0.00 C ATOM 604 O TYR A 38 -1.556 -4.614 -2.292 1.00 0.00 O ATOM 605 CB TYR A 38 -4.554 -4.362 -1.416 1.00 0.00 C ATOM 606 CG TYR A 38 -5.544 -3.402 -0.803 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.560 -2.062 -1.205 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.446 -3.853 0.169 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.479 -1.171 -0.635 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.365 -2.962 0.739 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.382 -1.621 0.335 1.00 0.00 C ATOM 612 OH TYR A 38 -8.286 -0.743 0.896 1.00 0.00 O ATOM 0 H TYR A 38 -2.522 -2.443 -1.312 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.408 -4.776 0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.366 -4.093 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.964 -5.372 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.864 -1.714 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.433 -4.887 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.491 -0.136 -0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.060 -3.309 1.489 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.044 -0.620 0.287 1.00 0.00 H new ATOM 622 N SER A 39 -1.937 -6.335 -0.980 1.00 0.00 N ATOM 623 CA SER A 39 -0.907 -7.154 -1.679 1.00 0.00 C ATOM 624 C SER A 39 -1.592 -8.080 -2.687 1.00 0.00 C ATOM 625 O SER A 39 -2.802 -8.108 -2.796 1.00 0.00 O ATOM 626 CB SER A 39 -0.141 -7.992 -0.655 1.00 0.00 C ATOM 627 OG SER A 39 -0.544 -9.352 -0.766 1.00 0.00 O ATOM 0 H SER A 39 -2.415 -6.802 -0.210 1.00 0.00 H new ATOM 0 HA SER A 39 -0.212 -6.497 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.932 -7.903 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.336 -7.624 0.352 1.00 0.00 H new ATOM 0 HG SER A 39 -0.054 -9.893 -0.112 1.00 0.00 H new ATOM 633 N PRO A 40 -0.816 -8.833 -3.418 1.00 0.00 N ATOM 634 CA PRO A 40 -1.340 -9.779 -4.444 1.00 0.00 C ATOM 635 C PRO A 40 -2.373 -10.750 -3.866 1.00 0.00 C ATOM 636 O PRO A 40 -3.316 -11.134 -4.526 1.00 0.00 O ATOM 637 CB PRO A 40 -0.097 -10.536 -4.913 1.00 0.00 C ATOM 638 CG PRO A 40 1.056 -9.638 -4.607 1.00 0.00 C ATOM 639 CD PRO A 40 0.653 -8.862 -3.342 1.00 0.00 C ATOM 0 HA PRO A 40 -1.858 -9.255 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.000 -11.490 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.151 -10.756 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.967 -10.213 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.255 -8.959 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.999 -9.360 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.076 -7.857 -3.334 1.00 0.00 H new ATOM 647 N SER A 41 -2.198 -11.151 -2.635 1.00 0.00 N ATOM 648 CA SER A 41 -3.170 -12.095 -2.015 1.00 0.00 C ATOM 649 C SER A 41 -4.338 -11.306 -1.419 1.00 0.00 C ATOM 650 O SER A 41 -5.247 -11.867 -0.839 1.00 0.00 O ATOM 651 CB SER A 41 -2.473 -12.888 -0.909 1.00 0.00 C ATOM 652 OG SER A 41 -3.401 -13.796 -0.327 1.00 0.00 O ATOM 0 H SER A 41 -1.425 -10.866 -2.034 1.00 0.00 H new ATOM 0 HA SER A 41 -3.546 -12.782 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.621 -13.432 -1.317 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.084 -12.210 -0.149 1.00 0.00 H new ATOM 0 HG SER A 41 -4.299 -13.404 -0.348 1.00 0.00 H new ATOM 658 N GLY A 42 -4.321 -10.008 -1.556 1.00 0.00 N ATOM 659 CA GLY A 42 -5.430 -9.185 -0.994 1.00 0.00 C ATOM 660 C GLY A 42 -5.144 -8.877 0.476 1.00 0.00 C ATOM 661 O GLY A 42 -6.019 -8.472 1.217 1.00 0.00 O ATOM 0 H GLY A 42 -3.588 -9.482 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.530 -8.258 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.376 -9.718 -1.087 1.00 0.00 H new ATOM 665 N LYS A 43 -3.926 -9.064 0.907 1.00 0.00 N ATOM 666 CA LYS A 43 -3.586 -8.779 2.328 1.00 0.00 C ATOM 667 C LYS A 43 -3.707 -7.277 2.591 1.00 0.00 C ATOM 668 O LYS A 43 -3.056 -6.472 1.956 1.00 0.00 O ATOM 669 CB LYS A 43 -2.152 -9.233 2.611 1.00 0.00 C ATOM 670 CG LYS A 43 -1.782 -8.887 4.053 1.00 0.00 C ATOM 671 CD LYS A 43 -0.334 -9.303 4.324 1.00 0.00 C ATOM 672 CE LYS A 43 0.116 -8.741 5.673 1.00 0.00 C ATOM 673 NZ LYS A 43 1.449 -9.306 6.026 1.00 0.00 N ATOM 0 H LYS A 43 -3.152 -9.402 0.335 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.273 -9.318 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.061 -10.307 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.463 -8.747 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.902 -7.817 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.453 -9.397 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.251 -10.390 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.316 -8.935 3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.171 -7.653 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.613 -8.990 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.892 -8.718 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.332 -10.276 6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.055 -9.319 5.181 1.00 0.00 H new ATOM 687 N LYS A 44 -4.537 -6.892 3.521 1.00 0.00 N ATOM 688 CA LYS A 44 -4.692 -5.442 3.829 1.00 0.00 C ATOM 689 C LYS A 44 -3.740 -5.056 4.962 1.00 0.00 C ATOM 690 O LYS A 44 -3.757 -5.642 6.027 1.00 0.00 O ATOM 691 CB LYS A 44 -6.134 -5.163 4.256 1.00 0.00 C ATOM 692 CG LYS A 44 -6.305 -3.668 4.533 1.00 0.00 C ATOM 693 CD LYS A 44 -7.754 -3.384 4.934 1.00 0.00 C ATOM 694 CE LYS A 44 -7.935 -1.884 5.169 1.00 0.00 C ATOM 695 NZ LYS A 44 -7.003 -1.432 6.241 1.00 0.00 N ATOM 0 H LYS A 44 -5.115 -7.519 4.081 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.456 -4.855 2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.824 -5.480 3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.378 -5.739 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.629 -3.355 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.042 -3.091 3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.432 -3.724 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.007 -3.937 5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.740 -1.335 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.965 -1.672 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.065 -0.399 6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.263 -1.884 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.029 -1.697 5.989 1.00 0.00 H new ATOM 709 N PHE A 45 -2.910 -4.073 4.743 1.00 0.00 N ATOM 710 CA PHE A 45 -1.954 -3.655 5.806 1.00 0.00 C ATOM 711 C PHE A 45 -1.853 -2.128 5.829 1.00 0.00 C ATOM 712 O PHE A 45 -1.942 -1.475 4.807 1.00 0.00 O ATOM 713 CB PHE A 45 -0.575 -4.254 5.517 1.00 0.00 C ATOM 714 CG PHE A 45 -0.283 -4.154 4.040 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.907 -5.028 3.142 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.613 -3.187 3.567 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.636 -4.936 1.772 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.884 -3.096 2.197 1.00 0.00 C ATOM 719 CZ PHE A 45 0.260 -3.969 1.299 1.00 0.00 C ATOM 0 H PHE A 45 -2.853 -3.542 3.874 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.308 -4.010 6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.190 -3.725 6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.545 -5.296 5.835 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.598 -5.774 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.094 -2.512 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.118 -5.611 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.576 -2.351 1.832 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.469 -3.897 0.242 1.00 0.00 H new ATOM 729 N ARG A 46 -1.666 -1.553 6.985 1.00 0.00 N ATOM 730 CA ARG A 46 -1.544 -0.070 7.068 1.00 0.00 C ATOM 731 C ARG A 46 -0.398 0.296 8.014 1.00 0.00 C ATOM 732 O ARG A 46 -0.592 0.965 9.009 1.00 0.00 O ATOM 733 CB ARG A 46 -2.853 0.519 7.601 1.00 0.00 C ATOM 734 CG ARG A 46 -3.310 -0.275 8.826 1.00 0.00 C ATOM 735 CD ARG A 46 -4.659 0.261 9.308 1.00 0.00 C ATOM 736 NE ARG A 46 -4.505 1.681 9.734 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.542 2.353 10.154 1.00 0.00 C ATOM 738 NH1 ARG A 46 -6.714 1.779 10.203 1.00 0.00 N ATOM 739 NH2 ARG A 46 -5.407 3.595 10.527 1.00 0.00 N ATOM 0 H ARG A 46 -1.592 -2.045 7.875 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.339 0.334 6.077 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.711 1.567 7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.620 0.487 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.395 -1.332 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.569 -0.194 9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.398 0.187 8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.026 -0.342 10.139 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.589 2.128 9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.818 0.807 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.525 2.303 10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.491 4.042 10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.218 4.120 10.855 1.00 0.00 H new ATOM 753 N SER A 47 0.794 -0.139 7.711 1.00 0.00 N ATOM 754 CA SER A 47 1.952 0.192 8.587 1.00 0.00 C ATOM 755 C SER A 47 3.239 0.180 7.758 1.00 0.00 C ATOM 756 O SER A 47 3.450 -0.689 6.936 1.00 0.00 O ATOM 757 CB SER A 47 2.057 -0.843 9.708 1.00 0.00 C ATOM 758 OG SER A 47 2.886 -1.916 9.278 1.00 0.00 O ATOM 0 H SER A 47 1.016 -0.709 6.895 1.00 0.00 H new ATOM 0 HA SER A 47 1.808 1.182 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.472 -0.384 10.605 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.066 -1.215 9.969 1.00 0.00 H new ATOM 0 HG SER A 47 3.218 -2.406 10.059 1.00 0.00 H new ATOM 764 N LYS A 48 4.101 1.137 7.970 1.00 0.00 N ATOM 765 CA LYS A 48 5.364 1.187 7.183 1.00 0.00 C ATOM 766 C LYS A 48 6.240 -0.014 7.546 1.00 0.00 C ATOM 767 O LYS A 48 6.778 -0.684 6.687 1.00 0.00 O ATOM 768 CB LYS A 48 6.114 2.482 7.506 1.00 0.00 C ATOM 769 CG LYS A 48 6.362 3.265 6.215 1.00 0.00 C ATOM 770 CD LYS A 48 7.294 2.466 5.304 1.00 0.00 C ATOM 771 CE LYS A 48 8.076 3.427 4.405 1.00 0.00 C ATOM 772 NZ LYS A 48 8.615 2.684 3.232 1.00 0.00 N ATOM 0 H LYS A 48 3.985 1.885 8.654 1.00 0.00 H new ATOM 0 HA LYS A 48 5.131 1.157 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.534 3.086 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.062 2.254 7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.417 3.458 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.804 4.235 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.982 1.870 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.717 1.770 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.428 4.236 4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.892 3.884 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.645 2.578 3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.174 1.744 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.403 3.211 2.360 1.00 0.00 H new ATOM 786 N PRO A 49 6.379 -0.280 8.816 1.00 0.00 N ATOM 787 CA PRO A 49 7.222 -1.402 9.320 1.00 0.00 C ATOM 788 C PRO A 49 6.814 -2.749 8.719 1.00 0.00 C ATOM 789 O PRO A 49 7.638 -3.502 8.242 1.00 0.00 O ATOM 790 CB PRO A 49 6.976 -1.393 10.830 1.00 0.00 C ATOM 791 CG PRO A 49 6.507 -0.011 11.150 1.00 0.00 C ATOM 792 CD PRO A 49 5.742 0.465 9.913 1.00 0.00 C ATOM 0 HA PRO A 49 8.270 -1.273 9.049 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.229 -2.136 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.887 -1.635 11.377 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.866 -0.010 12.031 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.348 0.647 11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.678 0.241 9.987 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.832 1.542 9.774 1.00 0.00 H new ATOM 800 N GLN A 50 5.545 -3.059 8.740 1.00 0.00 N ATOM 801 CA GLN A 50 5.086 -4.357 8.174 1.00 0.00 C ATOM 802 C GLN A 50 5.329 -4.370 6.663 1.00 0.00 C ATOM 803 O GLN A 50 5.686 -5.380 6.091 1.00 0.00 O ATOM 804 CB GLN A 50 3.592 -4.536 8.452 1.00 0.00 C ATOM 805 CG GLN A 50 3.135 -5.901 7.938 1.00 0.00 C ATOM 806 CD GLN A 50 1.666 -6.120 8.301 1.00 0.00 C ATOM 807 OE1 GLN A 50 0.772 -5.258 7.897 1.00 0.00 O flip ATOM 808 NE2 GLN A 50 1.326 -7.083 8.958 1.00 0.00 N flip ATOM 0 H GLN A 50 4.808 -2.468 9.125 1.00 0.00 H new ATOM 0 HA GLN A 50 5.642 -5.172 8.638 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.399 -4.456 9.522 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.024 -3.744 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.265 -5.956 6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.749 -6.689 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.024 -7.757 9.274 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.343 -7.218 9.194 1.00 0.00 H new ATOM 817 N LEU A 51 5.137 -3.255 6.013 1.00 0.00 N ATOM 818 CA LEU A 51 5.342 -3.208 4.539 1.00 0.00 C ATOM 819 C LEU A 51 6.820 -3.440 4.220 1.00 0.00 C ATOM 820 O LEU A 51 7.164 -4.230 3.363 1.00 0.00 O ATOM 821 CB LEU A 51 4.913 -1.839 4.007 1.00 0.00 C ATOM 822 CG LEU A 51 5.219 -1.753 2.511 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.532 -2.910 1.782 1.00 0.00 C ATOM 824 CD2 LEU A 51 4.696 -0.423 1.961 1.00 0.00 C ATOM 0 H LEU A 51 4.847 -2.375 6.439 1.00 0.00 H new ATOM 0 HA LEU A 51 4.743 -3.986 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.848 -1.688 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.439 -1.048 4.542 1.00 0.00 H new ATOM 0 HG LEU A 51 6.296 -1.814 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.750 -2.849 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.901 -3.858 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.455 -2.849 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.913 -0.360 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.619 -0.364 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.183 0.402 2.480 1.00 0.00 H new ATOM 836 N ALA A 52 7.697 -2.757 4.905 1.00 0.00 N ATOM 837 CA ALA A 52 9.152 -2.932 4.634 1.00 0.00 C ATOM 838 C ALA A 52 9.582 -4.341 5.044 1.00 0.00 C ATOM 839 O ALA A 52 10.285 -5.021 4.322 1.00 0.00 O ATOM 840 CB ALA A 52 9.947 -1.901 5.438 1.00 0.00 C ATOM 0 H ALA A 52 7.469 -2.087 5.639 1.00 0.00 H new ATOM 0 HA ALA A 52 9.343 -2.790 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.011 -2.028 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.641 -0.897 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.756 -2.043 6.502 1.00 0.00 H new ATOM 846 N ARG A 53 9.168 -4.787 6.198 1.00 0.00 N ATOM 847 CA ARG A 53 9.560 -6.149 6.657 1.00 0.00 C ATOM 848 C ARG A 53 9.039 -7.192 5.666 1.00 0.00 C ATOM 849 O ARG A 53 9.746 -8.099 5.277 1.00 0.00 O ATOM 850 CB ARG A 53 8.961 -6.413 8.040 1.00 0.00 C ATOM 851 CG ARG A 53 9.434 -7.777 8.548 1.00 0.00 C ATOM 852 CD ARG A 53 8.883 -8.017 9.955 1.00 0.00 C ATOM 853 NE ARG A 53 7.398 -8.137 9.893 1.00 0.00 N ATOM 854 CZ ARG A 53 6.696 -8.123 10.991 1.00 0.00 C ATOM 855 NH1 ARG A 53 7.293 -8.004 12.147 1.00 0.00 N ATOM 856 NH2 ARG A 53 5.396 -8.229 10.938 1.00 0.00 N ATOM 0 H ARG A 53 8.574 -4.266 6.844 1.00 0.00 H new ATOM 0 HA ARG A 53 10.647 -6.215 6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.263 -5.629 8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.873 -6.390 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.096 -8.565 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.523 -7.814 8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.315 -8.925 10.376 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.165 -7.195 10.613 1.00 0.00 H new ATOM 0 HE ARG A 53 6.931 -8.230 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.309 -7.922 12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.743 -7.993 13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.928 -8.323 10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.848 -8.218 11.798 1.00 0.00 H new ATOM 870 N TYR A 54 7.806 -7.069 5.255 1.00 0.00 N ATOM 871 CA TYR A 54 7.236 -8.066 4.306 1.00 0.00 C ATOM 872 C TYR A 54 8.010 -8.016 2.988 1.00 0.00 C ATOM 873 O TYR A 54 8.484 -9.021 2.496 1.00 0.00 O ATOM 874 CB TYR A 54 5.764 -7.737 4.045 1.00 0.00 C ATOM 875 CG TYR A 54 5.092 -8.922 3.394 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.215 -9.126 2.014 1.00 0.00 C ATOM 877 CD2 TYR A 54 4.345 -9.816 4.170 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.593 -10.224 1.411 1.00 0.00 C ATOM 879 CE2 TYR A 54 3.721 -10.914 3.565 1.00 0.00 C ATOM 880 CZ TYR A 54 3.845 -11.118 2.186 1.00 0.00 C ATOM 881 OH TYR A 54 3.229 -12.201 1.591 1.00 0.00 O ATOM 0 H TYR A 54 7.170 -6.322 5.535 1.00 0.00 H new ATOM 0 HA TYR A 54 7.315 -9.064 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.264 -7.491 4.982 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.685 -6.861 3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.790 -8.435 1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.250 -9.659 5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.690 -10.382 0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.144 -11.604 4.163 1.00 0.00 H new ATOM 0 HH TYR A 54 2.752 -12.721 2.271 1.00 0.00 H new ATOM 891 N LEU A 55 8.144 -6.852 2.411 1.00 0.00 N ATOM 892 CA LEU A 55 8.887 -6.740 1.123 1.00 0.00 C ATOM 893 C LEU A 55 10.373 -6.515 1.410 1.00 0.00 C ATOM 894 O LEU A 55 11.166 -6.320 0.511 1.00 0.00 O ATOM 895 CB LEU A 55 8.337 -5.562 0.319 1.00 0.00 C ATOM 896 CG LEU A 55 6.896 -5.856 -0.100 1.00 0.00 C ATOM 897 CD1 LEU A 55 6.287 -4.610 -0.746 1.00 0.00 C ATOM 898 CD2 LEU A 55 6.885 -7.007 -1.108 1.00 0.00 C ATOM 0 H LEU A 55 7.772 -5.975 2.775 1.00 0.00 H new ATOM 0 HA LEU A 55 8.764 -7.659 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.374 -4.651 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.955 -5.390 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 55 6.312 -6.133 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.260 -4.820 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.296 -3.788 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.871 -4.333 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.859 -7.218 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.469 -6.728 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.319 -7.896 -0.650 1.00 0.00 H new ATOM 910 N GLY A 56 10.756 -6.538 2.658 1.00 0.00 N ATOM 911 CA GLY A 56 12.189 -6.317 3.002 1.00 0.00 C ATOM 912 C GLY A 56 13.042 -7.421 2.371 1.00 0.00 C ATOM 913 O GLY A 56 14.125 -7.176 1.877 1.00 0.00 O ATOM 0 H GLY A 56 10.139 -6.700 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.514 -5.341 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.318 -6.317 4.084 1.00 0.00 H new ATOM 917 N GLY A 57 12.561 -8.634 2.383 1.00 0.00 N ATOM 918 CA GLY A 57 13.348 -9.754 1.793 1.00 0.00 C ATOM 919 C GLY A 57 13.122 -9.796 0.280 1.00 0.00 C ATOM 920 O GLY A 57 13.631 -10.658 -0.408 1.00 0.00 O ATOM 0 H GLY A 57 11.657 -8.898 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.408 -9.621 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.047 -10.700 2.243 1.00 0.00 H new ATOM 924 N SER A 58 12.361 -8.872 -0.242 1.00 0.00 N ATOM 925 CA SER A 58 12.098 -8.866 -1.708 1.00 0.00 C ATOM 926 C SER A 58 12.618 -7.560 -2.314 1.00 0.00 C ATOM 927 O SER A 58 12.904 -7.482 -3.492 1.00 0.00 O ATOM 928 CB SER A 58 10.593 -8.979 -1.956 1.00 0.00 C ATOM 929 OG SER A 58 9.960 -7.771 -1.557 1.00 0.00 O ATOM 0 H SER A 58 11.911 -8.122 0.283 1.00 0.00 H new ATOM 0 HA SER A 58 12.607 -9.710 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.400 -9.173 -3.011 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.183 -9.820 -1.397 1.00 0.00 H new ATOM 0 HG SER A 58 10.542 -7.287 -0.935 1.00 0.00 H new ATOM 935 N MET A 59 12.742 -6.534 -1.517 1.00 0.00 N ATOM 936 CA MET A 59 13.235 -5.233 -2.050 1.00 0.00 C ATOM 937 C MET A 59 13.370 -4.230 -0.902 1.00 0.00 C ATOM 938 O MET A 59 12.913 -4.465 0.198 1.00 0.00 O ATOM 939 CB MET A 59 12.244 -4.696 -3.083 1.00 0.00 C ATOM 940 CG MET A 59 12.996 -3.886 -4.142 1.00 0.00 C ATOM 941 SD MET A 59 11.880 -2.660 -4.868 1.00 0.00 S ATOM 942 CE MET A 59 10.516 -3.787 -5.243 1.00 0.00 C ATOM 0 H MET A 59 12.523 -6.541 -0.521 1.00 0.00 H new ATOM 0 HA MET A 59 14.207 -5.379 -2.522 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.710 -5.522 -3.553 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.497 -4.070 -2.594 1.00 0.00 H new ATOM 0 HG2 MET A 59 13.856 -3.390 -3.693 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.380 -4.549 -4.918 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.892 -3.356 -6.026 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.916 -4.742 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.916 -3.943 -4.346 1.00 0.00 H new ATOM 952 N ASP A 60 13.995 -3.112 -1.150 1.00 0.00 N ATOM 953 CA ASP A 60 14.147 -2.089 -0.077 1.00 0.00 C ATOM 954 C ASP A 60 13.041 -1.040 -0.211 1.00 0.00 C ATOM 955 O ASP A 60 12.983 -0.305 -1.177 1.00 0.00 O ATOM 956 CB ASP A 60 15.512 -1.411 -0.207 1.00 0.00 C ATOM 957 CG ASP A 60 16.609 -2.386 0.221 1.00 0.00 C ATOM 958 OD1 ASP A 60 16.271 -3.435 0.744 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.770 -2.068 0.021 1.00 0.00 O ATOM 0 H ASP A 60 14.407 -2.863 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 60 14.073 -2.572 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.675 -1.093 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.545 -0.515 0.413 1.00 0.00 H new ATOM 964 N LEU A 61 12.162 -0.964 0.751 1.00 0.00 N ATOM 965 CA LEU A 61 11.054 0.029 0.670 1.00 0.00 C ATOM 966 C LEU A 61 11.416 1.266 1.494 1.00 0.00 C ATOM 967 O LEU A 61 10.627 2.176 1.643 1.00 0.00 O ATOM 968 CB LEU A 61 9.771 -0.595 1.225 1.00 0.00 C ATOM 969 CG LEU A 61 9.159 -1.524 0.174 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.597 -0.691 -0.980 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.238 -2.469 -0.358 1.00 0.00 C ATOM 0 H LEU A 61 12.163 -1.546 1.589 1.00 0.00 H new ATOM 0 HA LEU A 61 10.899 0.318 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.990 -1.153 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.060 0.187 1.493 1.00 0.00 H new ATOM 0 HG LEU A 61 8.355 -2.105 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.161 -1.353 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.829 -0.016 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.400 -0.109 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.804 -3.132 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.041 -1.887 -0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.639 -3.063 0.463 1.00 0.00 H new ATOM 983 N SER A 62 12.606 1.307 2.029 1.00 0.00 N ATOM 984 CA SER A 62 13.017 2.484 2.843 1.00 0.00 C ATOM 985 C SER A 62 12.909 3.753 1.995 1.00 0.00 C ATOM 986 O SER A 62 12.519 4.800 2.473 1.00 0.00 O ATOM 987 CB SER A 62 14.463 2.303 3.309 1.00 0.00 C ATOM 988 OG SER A 62 15.306 2.159 2.174 1.00 0.00 O ATOM 0 H SER A 62 13.311 0.576 1.937 1.00 0.00 H new ATOM 0 HA SER A 62 12.364 2.571 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.776 3.162 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.544 1.425 3.950 1.00 0.00 H new ATOM 0 HG SER A 62 16.234 2.044 2.468 1.00 0.00 H new ATOM 994 N THR A 63 13.256 3.669 0.739 1.00 0.00 N ATOM 995 CA THR A 63 13.169 4.870 -0.139 1.00 0.00 C ATOM 996 C THR A 63 11.766 4.960 -0.742 1.00 0.00 C ATOM 997 O THR A 63 11.492 5.797 -1.579 1.00 0.00 O ATOM 998 CB THR A 63 14.200 4.754 -1.263 1.00 0.00 C ATOM 999 OG1 THR A 63 14.113 3.465 -1.853 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.605 4.964 -0.693 1.00 0.00 C ATOM 0 H THR A 63 13.595 2.822 0.284 1.00 0.00 H new ATOM 0 HA THR A 63 13.370 5.766 0.449 1.00 0.00 H new ATOM 0 HB THR A 63 14.000 5.513 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.521 3.502 -2.633 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.339 4.881 -1.495 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.670 5.954 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.807 4.206 0.064 1.00 0.00 H new ATOM 1008 N PHE A 64 10.873 4.104 -0.323 1.00 0.00 N ATOM 1009 CA PHE A 64 9.490 4.140 -0.876 1.00 0.00 C ATOM 1010 C PHE A 64 8.613 5.034 0.003 1.00 0.00 C ATOM 1011 O PHE A 64 8.480 4.815 1.190 1.00 0.00 O ATOM 1012 CB PHE A 64 8.913 2.724 -0.898 1.00 0.00 C ATOM 1013 CG PHE A 64 7.476 2.773 -1.358 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.167 3.212 -2.652 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.449 2.378 -0.490 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.835 3.257 -3.077 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.116 2.423 -0.917 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.809 2.864 -2.209 1.00 0.00 C ATOM 0 H PHE A 64 11.042 3.382 0.378 1.00 0.00 H new ATOM 0 HA PHE A 64 9.514 4.538 -1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.498 2.092 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.973 2.280 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.958 3.516 -3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.685 2.039 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.598 3.595 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.325 2.117 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.781 2.901 -2.537 1.00 0.00 H new ATOM 1028 N ASP A 65 8.014 6.042 -0.571 1.00 0.00 N ATOM 1029 CA ASP A 65 7.143 6.946 0.232 1.00 0.00 C ATOM 1030 C ASP A 65 5.815 6.246 0.527 1.00 0.00 C ATOM 1031 O ASP A 65 5.038 5.968 -0.363 1.00 0.00 O ATOM 1032 CB ASP A 65 6.878 8.231 -0.556 1.00 0.00 C ATOM 1033 CG ASP A 65 8.162 9.061 -0.628 1.00 0.00 C ATOM 1034 OD1 ASP A 65 9.079 8.761 0.120 1.00 0.00 O ATOM 1035 OD2 ASP A 65 8.205 9.981 -1.427 1.00 0.00 O ATOM 0 H ASP A 65 8.090 6.278 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 65 7.641 7.191 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.532 7.989 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.087 8.807 -0.077 1.00 0.00 H new ATOM 1040 N PHE A 66 5.549 5.958 1.772 1.00 0.00 N ATOM 1041 CA PHE A 66 4.278 5.264 2.121 1.00 0.00 C ATOM 1042 C PHE A 66 3.124 6.269 2.097 1.00 0.00 C ATOM 1043 O PHE A 66 2.043 5.977 1.624 1.00 0.00 O ATOM 1044 CB PHE A 66 4.395 4.659 3.522 1.00 0.00 C ATOM 1045 CG PHE A 66 3.116 3.934 3.867 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.917 2.620 3.426 1.00 0.00 C ATOM 1047 CD2 PHE A 66 2.130 4.576 4.625 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.731 1.948 3.746 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.945 3.904 4.944 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.745 2.589 4.504 1.00 0.00 C ATOM 0 H PHE A 66 6.157 6.173 2.562 1.00 0.00 H new ATOM 0 HA PHE A 66 4.087 4.472 1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.238 3.970 3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.589 5.444 4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.677 2.125 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.284 5.590 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.577 0.934 3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.184 4.399 5.529 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.170 2.070 4.750 1.00 0.00 H new ATOM 1060 N ARG A 67 3.344 7.452 2.600 1.00 0.00 N ATOM 1061 CA ARG A 67 2.257 8.472 2.609 1.00 0.00 C ATOM 1062 C ARG A 67 1.841 8.786 1.171 1.00 0.00 C ATOM 1063 O ARG A 67 0.670 8.859 0.855 1.00 0.00 O ATOM 1064 CB ARG A 67 2.762 9.749 3.285 1.00 0.00 C ATOM 1065 CG ARG A 67 1.620 10.395 4.072 1.00 0.00 C ATOM 1066 CD ARG A 67 0.544 10.884 3.102 1.00 0.00 C ATOM 1067 NE ARG A 67 -0.438 11.731 3.836 1.00 0.00 N ATOM 1068 CZ ARG A 67 -1.476 12.219 3.211 1.00 0.00 C ATOM 1069 NH1 ARG A 67 -1.652 11.964 1.944 1.00 0.00 N ATOM 1070 NH2 ARG A 67 -2.335 12.960 3.853 1.00 0.00 N ATOM 0 H ARG A 67 4.229 7.757 3.005 1.00 0.00 H new ATOM 0 HA ARG A 67 1.399 8.085 3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.592 9.516 3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.141 10.444 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.194 9.676 4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.998 11.229 4.663 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.000 11.455 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.037 10.034 2.645 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.300 11.930 4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.979 11.384 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.462 12.345 1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.197 13.159 4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.145 13.341 3.365 1.00 0.00 H new ATOM 1084 N THR A 68 2.791 8.974 0.296 1.00 0.00 N ATOM 1085 CA THR A 68 2.448 9.294 -1.118 1.00 0.00 C ATOM 1086 C THR A 68 2.442 8.007 -1.946 1.00 0.00 C ATOM 1087 O THR A 68 1.927 7.967 -3.046 1.00 0.00 O ATOM 1088 CB THR A 68 3.487 10.263 -1.689 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.744 9.608 -1.774 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.606 11.483 -0.774 1.00 0.00 C ATOM 0 H THR A 68 3.789 8.920 0.499 1.00 0.00 H new ATOM 0 HA THR A 68 1.461 9.755 -1.156 1.00 0.00 H new ATOM 0 HB THR A 68 3.177 10.586 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.411 10.226 -2.141 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.346 12.172 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.640 11.984 -0.708 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.917 11.163 0.221 1.00 0.00 H new ATOM 1098 N GLY A 69 3.011 6.954 -1.427 1.00 0.00 N ATOM 1099 CA GLY A 69 3.044 5.673 -2.187 1.00 0.00 C ATOM 1100 C GLY A 69 3.871 5.854 -3.460 1.00 0.00 C ATOM 1101 O GLY A 69 3.487 5.423 -4.529 1.00 0.00 O ATOM 0 H GLY A 69 3.455 6.925 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.474 4.884 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.030 5.363 -2.441 1.00 0.00 H new ATOM 1105 N LYS A 70 5.007 6.490 -3.355 1.00 0.00 N ATOM 1106 CA LYS A 70 5.851 6.711 -4.563 1.00 0.00 C ATOM 1107 C LYS A 70 7.327 6.564 -4.187 1.00 0.00 C ATOM 1108 O LYS A 70 7.702 6.697 -3.039 1.00 0.00 O ATOM 1109 CB LYS A 70 5.600 8.118 -5.108 1.00 0.00 C ATOM 1110 CG LYS A 70 4.152 8.230 -5.589 1.00 0.00 C ATOM 1111 CD LYS A 70 3.901 9.640 -6.131 1.00 0.00 C ATOM 1112 CE LYS A 70 2.469 9.735 -6.662 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.509 9.526 -5.542 1.00 0.00 N ATOM 0 H LYS A 70 5.386 6.865 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 70 5.596 5.975 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.795 8.859 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.284 8.328 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.957 7.490 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.467 8.017 -4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.058 10.377 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.611 9.867 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.303 10.710 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.307 8.987 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.792 10.279 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.043 8.603 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.021 9.550 -4.637 1.00 0.00 H new ATOM 1127 N MET A 71 8.169 6.293 -5.147 1.00 0.00 N ATOM 1128 CA MET A 71 9.620 6.139 -4.844 1.00 0.00 C ATOM 1129 C MET A 71 10.262 7.521 -4.713 1.00 0.00 C ATOM 1130 O MET A 71 10.004 8.414 -5.496 1.00 0.00 O ATOM 1131 CB MET A 71 10.299 5.366 -5.976 1.00 0.00 C ATOM 1132 CG MET A 71 10.343 3.877 -5.623 1.00 0.00 C ATOM 1133 SD MET A 71 11.911 3.498 -4.804 1.00 0.00 S ATOM 1134 CE MET A 71 11.492 1.818 -4.280 1.00 0.00 C ATOM 0 H MET A 71 7.915 6.172 -6.127 1.00 0.00 H new ATOM 0 HA MET A 71 9.740 5.592 -3.909 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.755 5.514 -6.909 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.309 5.743 -6.133 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.508 3.622 -4.970 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.237 3.275 -6.525 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.335 1.383 -3.743 1.00 0.00 H new ATOM 0 HE2 MET A 71 10.621 1.848 -3.625 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.267 1.209 -5.156 1.00 0.00 H new ATOM 1144 N LEU A 72 11.100 7.706 -3.729 1.00 0.00 N ATOM 1145 CA LEU A 72 11.752 9.032 -3.546 1.00 0.00 C ATOM 1146 C LEU A 72 12.920 9.167 -4.527 1.00 0.00 C ATOM 1147 CB LEU A 72 12.275 9.150 -2.112 1.00 0.00 C ATOM 1148 CG LEU A 72 12.843 10.552 -1.889 1.00 0.00 C ATOM 1149 CD1 LEU A 72 11.734 11.589 -2.077 1.00 0.00 C ATOM 1150 CD2 LEU A 72 13.400 10.655 -0.467 1.00 0.00 C ATOM 0 H LEU A 72 11.360 6.996 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 72 11.026 9.823 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.470 8.955 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.046 8.401 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 72 13.641 10.739 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.139 12.588 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.335 11.516 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.936 11.403 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.805 11.654 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.602 10.468 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.190 9.917 -0.331 1.00 0.00 H new