USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 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 45:sc= -5.77! USER MOD Single : A 15 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.31) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 37 TYR OH : rot 88:sc= -0.572! USER MOD Single : A 38 TYR OH : rot -159:sc= 0.0149 USER MOD Single : A 39 SER OG : rot 180:sc= -0.848 USER MOD Single : A 41 SER OG : rot -32:sc= 1.02 USER MOD Single : A 43 LYS NZ :NH3+ -158:sc=-0.00627 (180deg=-0.288) USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.109 (180deg=-0.626) USER MOD Single : A 47 SER OG : rot 180:sc= -0.525 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0.11 (180deg=-0.305) USER MOD Single : A 50 GLN : amide:sc= -0.378 K(o=-0.38,f=-1.1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -160:sc= -0.781 USER MOD Single : A 59 MET CE :methyl -179:sc=-0.00421 (180deg=-0.00807) USER MOD Single : A 62 SER OG : rot 86:sc= 1.2 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -2 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0071 (180deg=-0.194) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.650 5.861 -4.046 1.00 0.00 N ATOM 54 CA ARG A 5 -12.394 5.157 -3.660 1.00 0.00 C ATOM 55 C ARG A 5 -11.314 5.433 -4.707 1.00 0.00 C ATOM 56 O ARG A 5 -11.398 4.988 -5.834 1.00 0.00 O ATOM 57 CB ARG A 5 -12.657 3.651 -3.583 1.00 0.00 C ATOM 58 CG ARG A 5 -13.752 3.376 -2.553 1.00 0.00 C ATOM 59 CD ARG A 5 -14.100 1.887 -2.562 1.00 0.00 C ATOM 60 NE ARG A 5 -13.021 1.122 -1.875 1.00 0.00 N ATOM 61 CZ ARG A 5 -13.067 -0.182 -1.839 1.00 0.00 C ATOM 62 NH1 ARG A 5 -14.058 -0.817 -2.402 1.00 0.00 N ATOM 63 NH2 ARG A 5 -12.121 -0.851 -1.238 1.00 0.00 N ATOM 0 HA ARG A 5 -12.059 5.517 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.959 3.274 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.743 3.125 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.416 3.675 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.638 3.969 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.054 1.722 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.214 1.535 -3.587 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.247 1.617 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.798 -0.294 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.093 -1.836 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.347 -0.355 -0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.156 -1.870 -1.209 1.00 0.00 H new ATOM 77 N LYS A 6 -10.295 6.165 -4.343 1.00 0.00 N ATOM 78 CA LYS A 6 -9.218 6.482 -5.322 1.00 0.00 C ATOM 79 C LYS A 6 -8.229 5.317 -5.387 1.00 0.00 C ATOM 80 O LYS A 6 -8.261 4.416 -4.572 1.00 0.00 O ATOM 81 CB LYS A 6 -8.483 7.750 -4.881 1.00 0.00 C ATOM 82 CG LYS A 6 -9.442 8.941 -4.933 1.00 0.00 C ATOM 83 CD LYS A 6 -9.038 9.969 -3.874 1.00 0.00 C ATOM 84 CE LYS A 6 -9.948 11.194 -3.980 1.00 0.00 C ATOM 85 NZ LYS A 6 -9.542 12.203 -2.961 1.00 0.00 N ATOM 0 H LYS A 6 -10.163 6.556 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.658 6.641 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.096 7.625 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.626 7.931 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.420 9.396 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.464 8.606 -4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.114 9.531 -2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.998 10.262 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.882 11.624 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.987 10.903 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.160 13.036 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.626 11.790 -2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.556 12.488 -3.128 1.00 0.00 H new ATOM 99 N ARG A 7 -7.349 5.325 -6.350 1.00 0.00 N ATOM 100 CA ARG A 7 -6.386 4.197 -6.489 1.00 0.00 C ATOM 101 C ARG A 7 -5.054 4.727 -7.026 1.00 0.00 C ATOM 102 O ARG A 7 -5.017 5.553 -7.916 1.00 0.00 O ATOM 103 CB ARG A 7 -6.951 3.159 -7.462 1.00 0.00 C ATOM 104 CG ARG A 7 -7.927 2.243 -6.721 1.00 0.00 C ATOM 105 CD ARG A 7 -7.151 1.115 -6.040 1.00 0.00 C ATOM 106 NE ARG A 7 -8.109 0.128 -5.466 1.00 0.00 N ATOM 107 CZ ARG A 7 -7.664 -0.919 -4.827 1.00 0.00 C ATOM 108 NH1 ARG A 7 -6.380 -1.103 -4.690 1.00 0.00 N ATOM 109 NH2 ARG A 7 -8.503 -1.782 -4.325 1.00 0.00 N ATOM 0 H ARG A 7 -7.255 6.064 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.227 3.733 -5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.459 3.657 -8.288 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.141 2.571 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.486 2.814 -5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.655 1.829 -7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.495 0.625 -6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.515 1.520 -5.253 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.113 0.271 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.723 -0.428 -5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.033 -1.922 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.507 -1.639 -4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.155 -2.600 -3.826 1.00 0.00 H new ATOM 123 N TRP A 8 -3.959 4.259 -6.491 1.00 0.00 N ATOM 124 CA TRP A 8 -2.632 4.722 -6.986 1.00 0.00 C ATOM 125 C TRP A 8 -1.803 3.515 -7.429 1.00 0.00 C ATOM 126 O TRP A 8 -1.488 2.644 -6.643 1.00 0.00 O ATOM 127 CB TRP A 8 -1.900 5.461 -5.865 1.00 0.00 C ATOM 128 CG TRP A 8 -2.879 6.277 -5.083 1.00 0.00 C ATOM 129 CD1 TRP A 8 -3.099 6.163 -3.753 1.00 0.00 C ATOM 130 CD2 TRP A 8 -3.771 7.326 -5.557 1.00 0.00 C ATOM 131 NE1 TRP A 8 -4.069 7.076 -3.382 1.00 0.00 N ATOM 132 CE2 TRP A 8 -4.515 7.817 -4.458 1.00 0.00 C ATOM 133 CE3 TRP A 8 -4.005 7.897 -6.822 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -5.458 8.834 -4.608 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -4.953 8.921 -6.976 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.678 9.389 -5.871 1.00 0.00 C ATOM 0 H TRP A 8 -3.926 3.577 -5.733 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.774 5.394 -7.832 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.400 4.747 -5.210 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.127 6.105 -6.284 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -2.599 5.472 -3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.413 7.188 -2.428 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.452 7.545 -7.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.014 9.190 -3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.125 9.351 -7.952 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.405 10.177 -5.996 1.00 0.00 H new ATOM 147 N GLU A 9 -1.446 3.456 -8.683 1.00 0.00 N ATOM 148 CA GLU A 9 -0.611 2.322 -9.167 1.00 0.00 C ATOM 149 C GLU A 9 0.846 2.554 -8.768 1.00 0.00 C ATOM 150 O GLU A 9 1.304 3.675 -8.675 1.00 0.00 O ATOM 151 CB GLU A 9 -0.714 2.226 -10.691 1.00 0.00 C ATOM 152 CG GLU A 9 -2.130 1.798 -11.082 1.00 0.00 C ATOM 153 CD GLU A 9 -2.276 1.848 -12.604 1.00 0.00 C ATOM 154 OE1 GLU A 9 -1.285 2.099 -13.267 1.00 0.00 O ATOM 155 OE2 GLU A 9 -3.379 1.633 -13.080 1.00 0.00 O ATOM 0 H GLU A 9 -1.697 4.144 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.966 1.394 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.476 3.189 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.012 1.507 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.330 0.790 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.862 2.456 -10.614 1.00 0.00 H new ATOM 162 N CYS A 10 1.581 1.502 -8.528 1.00 0.00 N ATOM 163 CA CYS A 10 3.005 1.664 -8.119 1.00 0.00 C ATOM 164 C CYS A 10 3.876 0.679 -8.901 1.00 0.00 C ATOM 165 O CYS A 10 3.936 -0.494 -8.587 1.00 0.00 O ATOM 166 CB CYS A 10 3.140 1.387 -6.622 1.00 0.00 C ATOM 167 SG CYS A 10 2.468 -0.252 -6.248 1.00 0.00 S ATOM 0 H CYS A 10 1.257 0.537 -8.598 1.00 0.00 H new ATOM 0 HA CYS A 10 3.330 2.683 -8.331 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.187 1.439 -6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.609 2.149 -6.051 1.00 0.00 H new ATOM 0 HG CYS A 10 2.897 -1.108 -7.128 1.00 0.00 H new ATOM 173 N PRO A 11 4.547 1.158 -9.912 1.00 0.00 N ATOM 174 CA PRO A 11 5.449 0.320 -10.754 1.00 0.00 C ATOM 175 C PRO A 11 6.750 -0.038 -10.030 1.00 0.00 C ATOM 176 O PRO A 11 7.509 -0.877 -10.475 1.00 0.00 O ATOM 177 CB PRO A 11 5.739 1.206 -11.968 1.00 0.00 C ATOM 178 CG PRO A 11 5.539 2.607 -11.496 1.00 0.00 C ATOM 179 CD PRO A 11 4.517 2.558 -10.364 1.00 0.00 C ATOM 0 HA PRO A 11 4.991 -0.635 -11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.756 1.055 -12.330 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.068 0.971 -12.795 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.479 3.034 -11.148 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.183 3.240 -12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.782 3.243 -9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.524 2.843 -10.711 1.00 0.00 H new ATOM 187 N ALA A 12 7.014 0.591 -8.917 1.00 0.00 N ATOM 188 CA ALA A 12 8.253 0.269 -8.155 1.00 0.00 C ATOM 189 C ALA A 12 8.029 -1.003 -7.334 1.00 0.00 C ATOM 190 O ALA A 12 8.965 -1.671 -6.940 1.00 0.00 O ATOM 191 CB ALA A 12 8.590 1.430 -7.217 1.00 0.00 C ATOM 0 H ALA A 12 6.425 1.314 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 12 9.078 0.112 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.496 1.196 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.748 2.336 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.766 1.587 -6.521 1.00 0.00 H new ATOM 197 N LEU A 13 6.797 -1.344 -7.071 1.00 0.00 N ATOM 198 CA LEU A 13 6.516 -2.577 -6.285 1.00 0.00 C ATOM 199 C LEU A 13 6.152 -3.717 -7.239 1.00 0.00 C ATOM 200 O LEU A 13 5.716 -3.492 -8.351 1.00 0.00 O ATOM 201 CB LEU A 13 5.348 -2.318 -5.331 1.00 0.00 C ATOM 202 CG LEU A 13 5.844 -1.531 -4.117 1.00 0.00 C ATOM 203 CD1 LEU A 13 6.682 -2.447 -3.222 1.00 0.00 C ATOM 204 CD2 LEU A 13 6.704 -0.358 -4.589 1.00 0.00 C ATOM 0 H LEU A 13 5.973 -0.821 -7.367 1.00 0.00 H new ATOM 0 HA LEU A 13 7.401 -2.852 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.563 -1.761 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.910 -3.263 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 13 4.990 -1.155 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.036 -1.886 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.072 -3.285 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.537 -2.823 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.058 0.204 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.558 -0.736 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.109 0.295 -5.228 1.00 0.00 H new ATOM 216 N PRO A 14 6.330 -4.933 -6.800 1.00 0.00 N ATOM 217 CA PRO A 14 5.997 -6.140 -7.607 1.00 0.00 C ATOM 218 C PRO A 14 4.560 -6.106 -8.136 1.00 0.00 C ATOM 219 O PRO A 14 3.668 -5.575 -7.502 1.00 0.00 O ATOM 220 CB PRO A 14 6.176 -7.299 -6.627 1.00 0.00 C ATOM 221 CG PRO A 14 7.114 -6.793 -5.579 1.00 0.00 C ATOM 222 CD PRO A 14 6.872 -5.287 -5.479 1.00 0.00 C ATOM 0 HA PRO A 14 6.628 -6.218 -8.492 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.222 -7.595 -6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.583 -8.177 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.928 -7.281 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.149 -7.004 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.170 -5.046 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.794 -4.746 -5.266 1.00 0.00 H new ATOM 230 N GLN A 15 4.328 -6.666 -9.291 1.00 0.00 N ATOM 231 CA GLN A 15 2.950 -6.665 -9.856 1.00 0.00 C ATOM 232 C GLN A 15 1.989 -7.317 -8.860 1.00 0.00 C ATOM 233 O GLN A 15 2.195 -8.432 -8.424 1.00 0.00 O ATOM 234 CB GLN A 15 2.936 -7.451 -11.169 1.00 0.00 C ATOM 235 CG GLN A 15 3.841 -6.759 -12.188 1.00 0.00 C ATOM 236 CD GLN A 15 3.297 -5.361 -12.490 1.00 0.00 C ATOM 237 OE1 GLN A 15 4.042 -4.403 -12.539 1.00 0.00 O ATOM 238 NE2 GLN A 15 2.018 -5.204 -12.698 1.00 0.00 N ATOM 0 H GLN A 15 5.033 -7.124 -9.868 1.00 0.00 H new ATOM 0 HA GLN A 15 2.636 -5.638 -10.044 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.278 -8.472 -10.998 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.919 -7.516 -11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.857 -6.689 -11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.890 -7.347 -13.104 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.392 -6.008 -12.657 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.644 -4.277 -12.902 1.00 0.00 H new ATOM 247 N GLY A 16 0.939 -6.633 -8.497 1.00 0.00 N ATOM 248 CA GLY A 16 -0.037 -7.217 -7.534 1.00 0.00 C ATOM 249 C GLY A 16 -0.208 -6.274 -6.343 1.00 0.00 C ATOM 250 O GLY A 16 -1.175 -6.354 -5.610 1.00 0.00 O ATOM 0 H GLY A 16 0.715 -5.694 -8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.997 -7.377 -8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.312 -8.191 -7.192 1.00 0.00 H new ATOM 254 N TRP A 17 0.721 -5.381 -6.142 1.00 0.00 N ATOM 255 CA TRP A 17 0.602 -4.424 -5.006 1.00 0.00 C ATOM 256 C TRP A 17 -0.117 -3.159 -5.479 1.00 0.00 C ATOM 257 O TRP A 17 0.144 -2.648 -6.549 1.00 0.00 O ATOM 258 CB TRP A 17 1.999 -4.058 -4.499 1.00 0.00 C ATOM 259 CG TRP A 17 2.635 -5.263 -3.882 1.00 0.00 C ATOM 260 CD1 TRP A 17 3.059 -6.352 -4.564 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.926 -5.520 -2.478 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.592 -7.261 -3.668 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.533 -6.793 -2.370 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.724 -4.779 -1.299 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.926 -7.314 -1.137 1.00 0.00 C ATOM 266 CZ3 TRP A 17 3.119 -5.299 -0.057 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.718 -6.564 0.025 1.00 0.00 C ATOM 0 H TRP A 17 1.558 -5.272 -6.715 1.00 0.00 H new ATOM 0 HA TRP A 17 0.032 -4.886 -4.199 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.612 -3.691 -5.322 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.933 -3.253 -3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.992 -6.489 -5.633 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.981 -8.166 -3.933 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.262 -3.804 -1.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.387 -8.289 -1.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.961 -4.721 0.842 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.018 -6.959 0.984 1.00 0.00 H new ATOM 278 N GLU A 18 -1.021 -2.648 -4.687 1.00 0.00 N ATOM 279 CA GLU A 18 -1.768 -1.428 -5.101 1.00 0.00 C ATOM 280 C GLU A 18 -2.083 -0.578 -3.866 1.00 0.00 C ATOM 281 O GLU A 18 -2.031 -1.050 -2.747 1.00 0.00 O ATOM 282 CB GLU A 18 -3.074 -1.836 -5.785 1.00 0.00 C ATOM 283 CG GLU A 18 -2.759 -2.621 -7.059 1.00 0.00 C ATOM 284 CD GLU A 18 -1.995 -1.726 -8.036 1.00 0.00 C ATOM 285 OE1 GLU A 18 -2.077 -0.517 -7.888 1.00 0.00 O ATOM 286 OE2 GLU A 18 -1.340 -2.263 -8.913 1.00 0.00 O ATOM 0 H GLU A 18 -1.273 -3.023 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.160 -0.849 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.676 -2.444 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.662 -0.951 -6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.166 -3.503 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.682 -2.974 -7.519 1.00 0.00 H new ATOM 293 N ARG A 19 -2.410 0.669 -4.060 1.00 0.00 N ATOM 294 CA ARG A 19 -2.753 1.539 -2.902 1.00 0.00 C ATOM 295 C ARG A 19 -4.156 2.120 -3.098 1.00 0.00 C ATOM 296 O ARG A 19 -4.672 2.159 -4.197 1.00 0.00 O ATOM 297 CB ARG A 19 -1.739 2.681 -2.800 1.00 0.00 C ATOM 298 CG ARG A 19 -0.333 2.100 -2.633 1.00 0.00 C ATOM 299 CD ARG A 19 0.269 1.818 -4.012 1.00 0.00 C ATOM 300 NE ARG A 19 0.990 0.515 -3.980 1.00 0.00 N ATOM 301 CZ ARG A 19 2.071 0.383 -3.259 1.00 0.00 C ATOM 302 NH1 ARG A 19 2.519 1.393 -2.565 1.00 0.00 N ATOM 303 NH2 ARG A 19 2.704 -0.757 -3.234 1.00 0.00 N ATOM 0 H ARG A 19 -2.454 1.123 -4.972 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.727 0.949 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.784 3.302 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.982 3.323 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.298 2.799 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.375 1.181 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.518 1.792 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.954 2.618 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 19 0.639 -0.275 -4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.025 2.285 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.363 1.290 -2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.355 -1.546 -3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.548 -0.859 -2.671 1.00 0.00 H new ATOM 317 N GLU A 20 -4.776 2.570 -2.042 1.00 0.00 N ATOM 318 CA GLU A 20 -6.152 3.128 -2.169 1.00 0.00 C ATOM 319 C GLU A 20 -6.326 4.285 -1.183 1.00 0.00 C ATOM 320 O GLU A 20 -5.952 4.194 -0.030 1.00 0.00 O ATOM 321 CB GLU A 20 -7.175 2.035 -1.859 1.00 0.00 C ATOM 322 CG GLU A 20 -8.588 2.617 -1.948 1.00 0.00 C ATOM 323 CD GLU A 20 -9.613 1.520 -1.649 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.249 0.359 -1.732 1.00 0.00 O ATOM 325 OE2 GLU A 20 -10.742 1.861 -1.340 1.00 0.00 O ATOM 0 H GLU A 20 -4.390 2.576 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.305 3.491 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.065 1.210 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.999 1.630 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.700 3.437 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.761 3.029 -2.942 1.00 0.00 H new ATOM 332 N GLU A 21 -6.895 5.374 -1.626 1.00 0.00 N ATOM 333 CA GLU A 21 -7.129 6.520 -0.704 1.00 0.00 C ATOM 334 C GLU A 21 -8.611 6.568 -0.320 1.00 0.00 C ATOM 335 O GLU A 21 -9.481 6.523 -1.165 1.00 0.00 O ATOM 336 CB GLU A 21 -6.742 7.824 -1.404 1.00 0.00 C ATOM 337 CG GLU A 21 -6.148 8.796 -0.382 1.00 0.00 C ATOM 338 CD GLU A 21 -4.681 8.441 -0.132 1.00 0.00 C ATOM 339 OE1 GLU A 21 -4.206 7.503 -0.750 1.00 0.00 O ATOM 340 OE2 GLU A 21 -4.060 9.112 0.675 1.00 0.00 O ATOM 0 H GLU A 21 -7.207 5.518 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.523 6.396 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.019 7.624 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.617 8.268 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.228 9.819 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.709 8.747 0.551 1.00 0.00 H new ATOM 347 N VAL A 22 -8.903 6.659 0.949 1.00 0.00 N ATOM 348 CA VAL A 22 -10.326 6.698 1.384 1.00 0.00 C ATOM 349 C VAL A 22 -10.516 7.809 2.418 1.00 0.00 C ATOM 350 O VAL A 22 -10.225 7.638 3.585 1.00 0.00 O ATOM 351 CB VAL A 22 -10.708 5.353 2.005 1.00 0.00 C ATOM 352 CG1 VAL A 22 -12.230 5.216 2.035 1.00 0.00 C ATOM 353 CG2 VAL A 22 -10.111 4.219 1.170 1.00 0.00 C ATOM 0 H VAL A 22 -8.217 6.708 1.702 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.962 6.894 0.521 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.320 5.300 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.500 4.257 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.656 6.024 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.620 5.269 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.383 3.260 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.499 4.273 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.025 4.315 1.150 1.00 0.00 H new ATOM 363 N PRO A 23 -11.007 8.937 1.986 1.00 0.00 N ATOM 364 CA PRO A 23 -11.286 10.095 2.884 1.00 0.00 C ATOM 365 C PRO A 23 -12.263 9.732 4.007 1.00 0.00 C ATOM 366 O PRO A 23 -13.267 9.088 3.784 1.00 0.00 O ATOM 367 CB PRO A 23 -11.905 11.134 1.951 1.00 0.00 C ATOM 368 CG PRO A 23 -11.474 10.742 0.576 1.00 0.00 C ATOM 369 CD PRO A 23 -11.350 9.235 0.587 1.00 0.00 C ATOM 0 HA PRO A 23 -10.386 10.445 3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.992 11.139 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.561 12.138 2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.201 11.067 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.524 11.209 0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.281 8.752 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.577 8.889 -0.100 1.00 0.00 H new ATOM 377 N ARG A 24 -11.974 10.139 5.213 1.00 0.00 N ATOM 378 CA ARG A 24 -12.890 9.824 6.344 1.00 0.00 C ATOM 379 C ARG A 24 -14.213 10.568 6.151 1.00 0.00 C ATOM 380 O ARG A 24 -14.254 11.652 5.605 1.00 0.00 O ATOM 381 CB ARG A 24 -12.245 10.264 7.661 1.00 0.00 C ATOM 382 CG ARG A 24 -13.137 9.846 8.831 1.00 0.00 C ATOM 383 CD ARG A 24 -12.404 10.100 10.149 1.00 0.00 C ATOM 384 NE ARG A 24 -11.604 8.896 10.510 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.328 8.855 10.236 1.00 0.00 C ATOM 386 NH1 ARG A 24 -9.754 9.868 9.649 1.00 0.00 N ATOM 387 NH2 ARG A 24 -9.627 7.800 10.553 1.00 0.00 N ATOM 0 H ARG A 24 -11.143 10.676 5.463 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.077 8.751 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.258 9.813 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.104 11.345 7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.071 10.407 8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.397 8.791 8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.752 10.968 10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.121 10.324 10.939 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.053 8.104 10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.302 10.693 9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.757 9.836 9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.076 7.009 11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.630 7.767 10.339 1.00 0.00 H new ATOM 490 N HIS A 32 -9.616 13.882 8.277 1.00 0.00 N ATOM 491 CA HIS A 32 -8.372 13.195 7.831 1.00 0.00 C ATOM 492 C HIS A 32 -8.736 12.034 6.902 1.00 0.00 C ATOM 493 O HIS A 32 -9.846 11.538 6.920 1.00 0.00 O ATOM 494 CB HIS A 32 -7.620 12.655 9.050 1.00 0.00 C ATOM 495 CG HIS A 32 -7.299 13.790 9.984 1.00 0.00 C ATOM 496 ND1 HIS A 32 -8.172 14.197 10.982 1.00 0.00 N ATOM 497 CD2 HIS A 32 -6.204 14.614 10.081 1.00 0.00 C ATOM 498 CE1 HIS A 32 -7.593 15.224 11.633 1.00 0.00 C ATOM 499 NE2 HIS A 32 -6.395 15.516 11.123 1.00 0.00 N ATOM 0 HA HIS A 32 -7.738 13.903 7.298 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.226 11.908 9.563 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.702 12.159 8.734 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.331 14.569 9.447 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.042 15.746 12.465 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.754 16.247 11.432 1.00 0.00 H new ATOM 508 N ARG A 33 -7.811 11.598 6.092 1.00 0.00 N ATOM 509 CA ARG A 33 -8.106 10.466 5.168 1.00 0.00 C ATOM 510 C ARG A 33 -7.201 9.281 5.508 1.00 0.00 C ATOM 511 O ARG A 33 -6.029 9.442 5.787 1.00 0.00 O ATOM 512 CB ARG A 33 -7.848 10.906 3.725 1.00 0.00 C ATOM 513 CG ARG A 33 -6.358 11.202 3.538 1.00 0.00 C ATOM 514 CD ARG A 33 -6.113 11.713 2.117 1.00 0.00 C ATOM 515 NE ARG A 33 -4.654 11.942 1.918 1.00 0.00 N ATOM 516 CZ ARG A 33 -4.119 13.081 2.263 1.00 0.00 C ATOM 517 NH1 ARG A 33 -4.864 14.021 2.783 1.00 0.00 N ATOM 518 NH2 ARG A 33 -2.843 13.284 2.088 1.00 0.00 N ATOM 0 H ARG A 33 -6.865 11.975 6.030 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.149 10.170 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.164 10.125 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.437 11.793 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.030 11.945 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.772 10.301 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.481 10.989 1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.664 12.639 1.952 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.073 11.208 1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.863 13.864 2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.447 14.912 3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.261 12.552 1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.427 14.175 2.358 1.00 0.00 H new ATOM 532 N ASP A 34 -7.734 8.091 5.487 1.00 0.00 N ATOM 533 CA ASP A 34 -6.905 6.895 5.810 1.00 0.00 C ATOM 534 C ASP A 34 -6.489 6.198 4.513 1.00 0.00 C ATOM 535 O ASP A 34 -7.269 6.059 3.594 1.00 0.00 O ATOM 536 CB ASP A 34 -7.717 5.929 6.672 1.00 0.00 C ATOM 537 CG ASP A 34 -7.660 6.375 8.133 1.00 0.00 C ATOM 538 OD1 ASP A 34 -7.269 7.506 8.373 1.00 0.00 O ATOM 539 OD2 ASP A 34 -8.009 5.579 8.990 1.00 0.00 O ATOM 0 H ASP A 34 -8.709 7.894 5.260 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.015 7.206 6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.751 5.902 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.322 4.918 6.574 1.00 0.00 H new ATOM 544 N VAL A 35 -5.262 5.758 4.434 1.00 0.00 N ATOM 545 CA VAL A 35 -4.798 5.071 3.196 1.00 0.00 C ATOM 546 C VAL A 35 -4.586 3.583 3.488 1.00 0.00 C ATOM 547 O VAL A 35 -4.002 3.215 4.489 1.00 0.00 O ATOM 548 CB VAL A 35 -3.478 5.692 2.732 1.00 0.00 C ATOM 549 CG1 VAL A 35 -3.072 5.084 1.390 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.658 7.204 2.572 1.00 0.00 C ATOM 0 H VAL A 35 -4.563 5.845 5.172 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.548 5.185 2.414 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.702 5.492 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.132 5.526 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.947 4.007 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.847 5.285 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.720 7.649 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.434 7.402 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.949 7.639 3.528 1.00 0.00 H new ATOM 560 N PHE A 36 -5.055 2.727 2.625 1.00 0.00 N ATOM 561 CA PHE A 36 -4.872 1.265 2.849 1.00 0.00 C ATOM 562 C PHE A 36 -4.071 0.668 1.691 1.00 0.00 C ATOM 563 O PHE A 36 -4.201 1.081 0.556 1.00 0.00 O ATOM 564 CB PHE A 36 -6.240 0.586 2.929 1.00 0.00 C ATOM 565 CG PHE A 36 -6.981 1.085 4.146 1.00 0.00 C ATOM 566 CD1 PHE A 36 -7.758 2.246 4.065 1.00 0.00 C ATOM 567 CD2 PHE A 36 -6.889 0.387 5.356 1.00 0.00 C ATOM 568 CE1 PHE A 36 -8.444 2.709 5.193 1.00 0.00 C ATOM 569 CE2 PHE A 36 -7.576 0.851 6.485 1.00 0.00 C ATOM 570 CZ PHE A 36 -8.353 2.011 6.404 1.00 0.00 C ATOM 0 H PHE A 36 -5.558 2.976 1.773 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.333 1.105 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.816 0.797 2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.118 -0.496 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.828 2.785 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.289 -0.509 5.419 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.044 3.605 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.506 0.313 7.419 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.883 2.368 7.275 1.00 0.00 H new ATOM 580 N TYR A 37 -3.244 -0.303 1.968 1.00 0.00 N ATOM 581 CA TYR A 37 -2.434 -0.924 0.883 1.00 0.00 C ATOM 582 C TYR A 37 -2.858 -2.384 0.704 1.00 0.00 C ATOM 583 O TYR A 37 -3.201 -3.060 1.652 1.00 0.00 O ATOM 584 CB TYR A 37 -0.952 -0.864 1.255 1.00 0.00 C ATOM 585 CG TYR A 37 -0.477 0.568 1.198 1.00 0.00 C ATOM 586 CD1 TYR A 37 -1.039 1.528 2.049 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.526 0.937 0.293 1.00 0.00 C ATOM 588 CE1 TYR A 37 -0.598 2.854 1.996 1.00 0.00 C ATOM 589 CE2 TYR A 37 0.967 2.265 0.239 1.00 0.00 C ATOM 590 CZ TYR A 37 0.405 3.224 1.091 1.00 0.00 C ATOM 591 OH TYR A 37 0.839 4.533 1.040 1.00 0.00 O ATOM 0 H TYR A 37 -3.095 -0.693 2.899 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.596 -0.382 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.800 -1.269 2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.369 -1.479 0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.813 1.244 2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.960 0.197 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.031 3.593 2.653 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.740 2.550 -0.459 1.00 0.00 H new ATOM 0 HH TYR A 37 1.566 4.662 1.684 1.00 0.00 H new ATOM 601 N TYR A 38 -2.835 -2.873 -0.505 1.00 0.00 N ATOM 602 CA TYR A 38 -3.238 -4.287 -0.745 1.00 0.00 C ATOM 603 C TYR A 38 -2.101 -5.033 -1.445 1.00 0.00 C ATOM 604 O TYR A 38 -1.499 -4.533 -2.375 1.00 0.00 O ATOM 605 CB TYR A 38 -4.488 -4.317 -1.627 1.00 0.00 C ATOM 606 CG TYR A 38 -5.601 -3.553 -0.951 1.00 0.00 C ATOM 607 CD1 TYR A 38 -6.273 -4.113 0.141 1.00 0.00 C ATOM 608 CD2 TYR A 38 -5.959 -2.281 -1.415 1.00 0.00 C ATOM 609 CE1 TYR A 38 -7.305 -3.405 0.768 1.00 0.00 C ATOM 610 CE2 TYR A 38 -6.991 -1.572 -0.789 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.664 -2.133 0.304 1.00 0.00 C ATOM 612 OH TYR A 38 -8.680 -1.434 0.921 1.00 0.00 O ATOM 0 H TYR A 38 -2.554 -2.354 -1.337 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.453 -4.769 0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.270 -3.877 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.796 -5.347 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.995 -5.093 0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.439 -1.847 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.824 -3.839 1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.268 -0.592 -1.149 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.031 -0.756 0.306 1.00 0.00 H new ATOM 622 N SER A 39 -1.802 -6.225 -1.007 1.00 0.00 N ATOM 623 CA SER A 39 -0.714 -7.007 -1.658 1.00 0.00 C ATOM 624 C SER A 39 -1.323 -7.999 -2.651 1.00 0.00 C ATOM 625 O SER A 39 -2.525 -8.092 -2.789 1.00 0.00 O ATOM 626 CB SER A 39 0.072 -7.770 -0.592 1.00 0.00 C ATOM 627 OG SER A 39 -0.216 -9.158 -0.699 1.00 0.00 O ATOM 0 H SER A 39 -2.264 -6.691 -0.226 1.00 0.00 H new ATOM 0 HA SER A 39 -0.045 -6.329 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.141 -7.598 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.193 -7.407 0.401 1.00 0.00 H new ATOM 0 HG SER A 39 0.288 -9.650 -0.018 1.00 0.00 H new ATOM 633 N PRO A 40 -0.490 -8.734 -3.336 1.00 0.00 N ATOM 634 CA PRO A 40 -0.938 -9.744 -4.336 1.00 0.00 C ATOM 635 C PRO A 40 -1.917 -10.760 -3.739 1.00 0.00 C ATOM 636 O PRO A 40 -2.806 -11.245 -4.407 1.00 0.00 O ATOM 637 CB PRO A 40 0.358 -10.438 -4.761 1.00 0.00 C ATOM 638 CG PRO A 40 1.449 -9.463 -4.461 1.00 0.00 C ATOM 639 CD PRO A 40 0.976 -8.681 -3.226 1.00 0.00 C ATOM 0 HA PRO A 40 -1.475 -9.280 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.502 -11.369 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.338 -10.691 -5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.390 -9.976 -4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.621 -8.796 -5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.327 -9.138 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.344 -7.655 -3.234 1.00 0.00 H new ATOM 647 N SER A 41 -1.757 -11.083 -2.484 1.00 0.00 N ATOM 648 CA SER A 41 -2.674 -12.070 -1.846 1.00 0.00 C ATOM 649 C SER A 41 -3.902 -11.343 -1.293 1.00 0.00 C ATOM 650 O SER A 41 -4.753 -11.935 -0.660 1.00 0.00 O ATOM 651 CB SER A 41 -1.945 -12.780 -0.706 1.00 0.00 C ATOM 652 OG SER A 41 -2.843 -13.673 -0.059 1.00 0.00 O ATOM 0 H SER A 41 -1.032 -10.706 -1.874 1.00 0.00 H new ATOM 0 HA SER A 41 -2.990 -12.804 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.086 -13.327 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.563 -12.050 0.007 1.00 0.00 H new ATOM 0 HG SER A 41 -3.751 -13.306 -0.094 1.00 0.00 H new ATOM 658 N GLY A 42 -4.002 -10.063 -1.528 1.00 0.00 N ATOM 659 CA GLY A 42 -5.171 -9.300 -1.011 1.00 0.00 C ATOM 660 C GLY A 42 -4.932 -8.926 0.454 1.00 0.00 C ATOM 661 O GLY A 42 -5.845 -8.566 1.169 1.00 0.00 O ATOM 0 H GLY A 42 -3.324 -9.513 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.323 -8.400 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.078 -9.899 -1.101 1.00 0.00 H new ATOM 665 N LYS A 43 -3.710 -9.012 0.906 1.00 0.00 N ATOM 666 CA LYS A 43 -3.414 -8.658 2.321 1.00 0.00 C ATOM 667 C LYS A 43 -3.556 -7.146 2.510 1.00 0.00 C ATOM 668 O LYS A 43 -2.869 -6.365 1.883 1.00 0.00 O ATOM 669 CB LYS A 43 -1.984 -9.083 2.664 1.00 0.00 C ATOM 670 CG LYS A 43 -1.623 -8.579 4.064 1.00 0.00 C ATOM 671 CD LYS A 43 -0.177 -8.958 4.385 1.00 0.00 C ATOM 672 CE LYS A 43 0.225 -8.345 5.728 1.00 0.00 C ATOM 673 NZ LYS A 43 1.596 -8.801 6.093 1.00 0.00 N ATOM 0 H LYS A 43 -2.905 -9.312 0.356 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.114 -9.173 2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.896 -10.169 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.287 -8.679 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.747 -7.497 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.297 -9.013 4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.074 -10.042 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.487 -8.602 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.197 -7.257 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.485 -8.639 6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.729 -8.712 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.717 -9.795 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.300 -8.214 5.600 1.00 0.00 H new ATOM 687 N LYS A 44 -4.444 -6.727 3.370 1.00 0.00 N ATOM 688 CA LYS A 44 -4.611 -5.267 3.616 1.00 0.00 C ATOM 689 C LYS A 44 -3.772 -4.854 4.827 1.00 0.00 C ATOM 690 O LYS A 44 -3.899 -5.410 5.901 1.00 0.00 O ATOM 691 CB LYS A 44 -6.085 -4.961 3.888 1.00 0.00 C ATOM 692 CG LYS A 44 -6.483 -5.535 5.250 1.00 0.00 C ATOM 693 CD LYS A 44 -7.998 -5.432 5.426 1.00 0.00 C ATOM 694 CE LYS A 44 -8.392 -5.973 6.802 1.00 0.00 C ATOM 695 NZ LYS A 44 -7.986 -7.402 6.909 1.00 0.00 N ATOM 0 H LYS A 44 -5.060 -7.332 3.912 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.280 -4.711 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.253 -3.884 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.708 -5.392 3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.168 -6.576 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.976 -4.991 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.316 -4.394 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.505 -5.997 4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.911 -5.388 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.468 -5.878 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.530 -7.862 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.173 -7.885 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.971 -7.459 7.128 1.00 0.00 H new ATOM 709 N PHE A 45 -2.915 -3.885 4.665 1.00 0.00 N ATOM 710 CA PHE A 45 -2.067 -3.439 5.805 1.00 0.00 C ATOM 711 C PHE A 45 -1.920 -1.917 5.769 1.00 0.00 C ATOM 712 O PHE A 45 -1.935 -1.306 4.718 1.00 0.00 O ATOM 713 CB PHE A 45 -0.684 -4.086 5.696 1.00 0.00 C ATOM 714 CG PHE A 45 -0.104 -3.806 4.331 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.447 -4.619 3.243 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.778 -2.733 4.152 1.00 0.00 C ATOM 717 CE1 PHE A 45 0.091 -4.359 1.977 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.316 -2.473 2.886 1.00 0.00 C ATOM 719 CZ PHE A 45 0.973 -3.285 1.799 1.00 0.00 C ATOM 0 H PHE A 45 -2.765 -3.382 3.791 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.536 -3.737 6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.025 -3.693 6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.760 -5.161 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.127 -5.447 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.043 -2.106 4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.174 -4.986 1.138 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.996 -1.645 2.748 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.388 -3.084 0.823 1.00 0.00 H new ATOM 729 N ARG A 46 -1.782 -1.297 6.909 1.00 0.00 N ATOM 730 CA ARG A 46 -1.631 0.185 6.939 1.00 0.00 C ATOM 731 C ARG A 46 -0.484 0.561 7.879 1.00 0.00 C ATOM 732 O ARG A 46 -0.674 1.253 8.859 1.00 0.00 O ATOM 733 CB ARG A 46 -2.930 0.820 7.438 1.00 0.00 C ATOM 734 CG ARG A 46 -3.397 0.101 8.706 1.00 0.00 C ATOM 735 CD ARG A 46 -4.697 0.735 9.203 1.00 0.00 C ATOM 736 NE ARG A 46 -5.144 0.042 10.444 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.861 -1.047 10.361 1.00 0.00 C ATOM 738 NH1 ARG A 46 -6.186 -1.527 9.192 1.00 0.00 N ATOM 739 NH2 ARG A 46 -6.252 -1.652 11.448 1.00 0.00 N ATOM 0 H ARG A 46 -1.767 -1.753 7.821 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.412 0.549 5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.774 1.879 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.698 0.756 6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.552 -0.958 8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.630 0.167 9.477 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.544 1.796 9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.467 0.661 8.435 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.890 0.418 11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.880 -1.052 8.343 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.746 -2.377 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.998 -1.275 12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.812 -2.502 11.385 1.00 0.00 H new ATOM 753 N SER A 47 0.706 0.112 7.588 1.00 0.00 N ATOM 754 CA SER A 47 1.862 0.440 8.469 1.00 0.00 C ATOM 755 C SER A 47 3.159 0.353 7.662 1.00 0.00 C ATOM 756 O SER A 47 3.345 -0.541 6.863 1.00 0.00 O ATOM 757 CB SER A 47 1.916 -0.553 9.630 1.00 0.00 C ATOM 758 OG SER A 47 0.592 -0.902 10.012 1.00 0.00 O ATOM 0 H SER A 47 0.928 -0.468 6.778 1.00 0.00 H new ATOM 0 HA SER A 47 1.745 1.450 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.469 -1.445 9.335 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.447 -0.114 10.475 1.00 0.00 H new ATOM 0 HG SER A 47 0.623 -1.540 10.755 1.00 0.00 H new ATOM 764 N LYS A 48 4.059 1.276 7.867 1.00 0.00 N ATOM 765 CA LYS A 48 5.340 1.249 7.107 1.00 0.00 C ATOM 766 C LYS A 48 6.145 0.012 7.511 1.00 0.00 C ATOM 767 O LYS A 48 6.673 -0.697 6.677 1.00 0.00 O ATOM 768 CB LYS A 48 6.149 2.508 7.425 1.00 0.00 C ATOM 769 CG LYS A 48 6.474 3.249 6.125 1.00 0.00 C ATOM 770 CD LYS A 48 7.578 4.275 6.383 1.00 0.00 C ATOM 771 CE LYS A 48 7.814 5.101 5.118 1.00 0.00 C ATOM 772 NZ LYS A 48 7.910 4.190 3.941 1.00 0.00 N ATOM 0 H LYS A 48 3.962 2.047 8.528 1.00 0.00 H new ATOM 0 HA LYS A 48 5.128 1.213 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.584 3.157 8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.070 2.240 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.793 2.541 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.582 3.747 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.296 4.928 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.498 3.769 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.999 5.811 4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.730 5.683 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.204 4.733 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.610 3.446 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.983 3.755 3.762 1.00 0.00 H new ATOM 786 N PRO A 49 6.235 -0.242 8.789 1.00 0.00 N ATOM 787 CA PRO A 49 6.983 -1.413 9.330 1.00 0.00 C ATOM 788 C PRO A 49 6.506 -2.736 8.723 1.00 0.00 C ATOM 789 O PRO A 49 7.296 -3.580 8.352 1.00 0.00 O ATOM 790 CB PRO A 49 6.685 -1.375 10.829 1.00 0.00 C ATOM 791 CG PRO A 49 6.311 0.040 11.126 1.00 0.00 C ATOM 792 CD PRO A 49 5.629 0.565 9.858 1.00 0.00 C ATOM 0 HA PRO A 49 8.046 -1.357 9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.874 -2.057 11.085 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.555 -1.681 11.410 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.640 0.096 11.983 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.191 0.634 11.371 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.548 0.432 9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.814 1.629 9.713 1.00 0.00 H new ATOM 800 N GLN A 50 5.218 -2.922 8.619 1.00 0.00 N ATOM 801 CA GLN A 50 4.693 -4.187 8.033 1.00 0.00 C ATOM 802 C GLN A 50 5.042 -4.242 6.544 1.00 0.00 C ATOM 803 O GLN A 50 5.366 -5.284 6.012 1.00 0.00 O ATOM 804 CB GLN A 50 3.173 -4.235 8.203 1.00 0.00 C ATOM 805 CG GLN A 50 2.827 -4.281 9.694 1.00 0.00 C ATOM 806 CD GLN A 50 3.407 -5.555 10.313 1.00 0.00 C ATOM 807 OE1 GLN A 50 4.543 -5.571 10.744 1.00 0.00 O ATOM 808 NE2 GLN A 50 2.669 -6.630 10.377 1.00 0.00 N ATOM 0 H GLN A 50 4.507 -2.253 8.915 1.00 0.00 H new ATOM 0 HA GLN A 50 5.143 -5.039 8.543 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.717 -3.360 7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.767 -5.111 7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.229 -3.403 10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.746 -4.258 9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.715 -6.616 10.015 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.046 -7.484 10.789 1.00 0.00 H new ATOM 817 N LEU A 51 4.977 -3.128 5.869 1.00 0.00 N ATOM 818 CA LEU A 51 5.291 -3.121 4.411 1.00 0.00 C ATOM 819 C LEU A 51 6.769 -3.459 4.208 1.00 0.00 C ATOM 820 O LEU A 51 7.121 -4.261 3.366 1.00 0.00 O ATOM 821 CB LEU A 51 5.002 -1.733 3.835 1.00 0.00 C ATOM 822 CG LEU A 51 5.403 -1.700 2.360 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.637 -2.783 1.597 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.064 -0.328 1.771 1.00 0.00 C ATOM 0 H LEU A 51 4.720 -2.223 6.263 1.00 0.00 H new ATOM 0 HA LEU A 51 4.675 -3.862 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.943 -1.497 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.554 -0.975 4.390 1.00 0.00 H new ATOM 0 HG LEU A 51 6.474 -1.882 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.923 -2.759 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.875 -3.761 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.566 -2.602 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.349 -0.303 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.993 -0.148 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.608 0.445 2.313 1.00 0.00 H new ATOM 836 N ALA A 52 7.636 -2.853 4.971 1.00 0.00 N ATOM 837 CA ALA A 52 9.092 -3.136 4.814 1.00 0.00 C ATOM 838 C ALA A 52 9.389 -4.562 5.281 1.00 0.00 C ATOM 839 O ALA A 52 10.106 -5.300 4.633 1.00 0.00 O ATOM 840 CB ALA A 52 9.897 -2.146 5.659 1.00 0.00 C ATOM 0 H ALA A 52 7.401 -2.175 5.696 1.00 0.00 H new ATOM 0 HA ALA A 52 9.371 -3.032 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.961 -2.352 5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.686 -1.129 5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.617 -2.251 6.707 1.00 0.00 H new ATOM 846 N ARG A 53 8.844 -4.957 6.398 1.00 0.00 N ATOM 847 CA ARG A 53 9.105 -6.331 6.911 1.00 0.00 C ATOM 848 C ARG A 53 8.621 -7.358 5.886 1.00 0.00 C ATOM 849 O ARG A 53 9.287 -8.336 5.610 1.00 0.00 O ATOM 850 CB ARG A 53 8.356 -6.535 8.230 1.00 0.00 C ATOM 851 CG ARG A 53 8.674 -7.923 8.788 1.00 0.00 C ATOM 852 CD ARG A 53 10.161 -8.005 9.139 1.00 0.00 C ATOM 853 NE ARG A 53 10.351 -8.942 10.283 1.00 0.00 N ATOM 854 CZ ARG A 53 11.390 -8.819 11.061 1.00 0.00 C ATOM 855 NH1 ARG A 53 12.264 -7.876 10.839 1.00 0.00 N ATOM 856 NH2 ARG A 53 11.556 -9.639 12.062 1.00 0.00 N ATOM 0 H ARG A 53 8.229 -4.387 6.978 1.00 0.00 H new ATOM 0 HA ARG A 53 10.175 -6.459 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.646 -5.768 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.283 -6.433 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.069 -8.118 9.674 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.420 -8.688 8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.731 -8.348 8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.539 -7.016 9.398 1.00 0.00 H new ATOM 0 HE ARG A 53 9.668 -9.679 10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.135 -7.235 10.057 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.077 -7.780 11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.873 -10.376 12.236 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.369 -9.543 12.671 1.00 0.00 H new ATOM 870 N TYR A 54 7.464 -7.146 5.319 1.00 0.00 N ATOM 871 CA TYR A 54 6.932 -8.119 4.324 1.00 0.00 C ATOM 872 C TYR A 54 7.872 -8.180 3.118 1.00 0.00 C ATOM 873 O TYR A 54 8.311 -9.239 2.715 1.00 0.00 O ATOM 874 CB TYR A 54 5.542 -7.671 3.866 1.00 0.00 C ATOM 875 CG TYR A 54 4.880 -8.791 3.100 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.229 -9.029 1.765 1.00 0.00 C ATOM 877 CD2 TYR A 54 3.916 -9.591 3.724 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.614 -10.068 1.055 1.00 0.00 C ATOM 879 CE2 TYR A 54 3.301 -10.629 3.013 1.00 0.00 C ATOM 880 CZ TYR A 54 3.651 -10.867 1.680 1.00 0.00 C ATOM 881 OH TYR A 54 3.046 -11.891 0.979 1.00 0.00 O ATOM 0 H TYR A 54 6.865 -6.341 5.502 1.00 0.00 H new ATOM 0 HA TYR A 54 6.863 -9.106 4.781 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.934 -7.397 4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.623 -6.784 3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.972 -8.411 1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.646 -9.408 4.754 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.883 -10.252 0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.556 -11.246 3.494 1.00 0.00 H new ATOM 0 HH TYR A 54 2.403 -12.349 1.559 1.00 0.00 H new ATOM 891 N LEU A 55 8.181 -7.054 2.537 1.00 0.00 N ATOM 892 CA LEU A 55 9.096 -7.050 1.361 1.00 0.00 C ATOM 893 C LEU A 55 10.540 -6.882 1.839 1.00 0.00 C ATOM 894 O LEU A 55 11.461 -6.807 1.050 1.00 0.00 O ATOM 895 CB LEU A 55 8.730 -5.889 0.433 1.00 0.00 C ATOM 896 CG LEU A 55 7.358 -6.149 -0.192 1.00 0.00 C ATOM 897 CD1 LEU A 55 6.900 -4.905 -0.953 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.457 -7.331 -1.161 1.00 0.00 C ATOM 0 H LEU A 55 7.840 -6.137 2.825 1.00 0.00 H new ATOM 0 HA LEU A 55 8.998 -7.992 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.716 -4.953 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.483 -5.782 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 55 6.638 -6.380 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.923 -5.090 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.832 -4.062 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.619 -4.674 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.480 -7.518 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.177 -7.099 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.785 -8.219 -0.620 1.00 0.00 H new ATOM 910 N GLY A 56 10.745 -6.825 3.127 1.00 0.00 N ATOM 911 CA GLY A 56 12.130 -6.660 3.655 1.00 0.00 C ATOM 912 C GLY A 56 13.076 -7.605 2.910 1.00 0.00 C ATOM 913 O GLY A 56 13.807 -7.200 2.029 1.00 0.00 O ATOM 0 H GLY A 56 10.014 -6.885 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.457 -5.628 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.151 -6.875 4.723 1.00 0.00 H new ATOM 917 N GLY A 57 13.068 -8.862 3.257 1.00 0.00 N ATOM 918 CA GLY A 57 13.974 -9.830 2.575 1.00 0.00 C ATOM 919 C GLY A 57 13.621 -9.903 1.089 1.00 0.00 C ATOM 920 O GLY A 57 14.135 -10.724 0.358 1.00 0.00 O ATOM 0 H GLY A 57 12.474 -9.261 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.012 -9.521 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.879 -10.816 3.031 1.00 0.00 H new ATOM 924 N SER A 58 12.744 -9.048 0.636 1.00 0.00 N ATOM 925 CA SER A 58 12.360 -9.067 -0.804 1.00 0.00 C ATOM 926 C SER A 58 13.034 -7.902 -1.528 1.00 0.00 C ATOM 927 O SER A 58 13.286 -7.960 -2.716 1.00 0.00 O ATOM 928 CB SER A 58 10.841 -8.935 -0.926 1.00 0.00 C ATOM 929 OG SER A 58 10.217 -9.744 0.062 1.00 0.00 O ATOM 0 H SER A 58 12.278 -8.338 1.201 1.00 0.00 H new ATOM 0 HA SER A 58 12.681 -10.006 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.544 -7.894 -0.800 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.517 -9.241 -1.921 1.00 0.00 H new ATOM 0 HG SER A 58 9.288 -9.919 -0.197 1.00 0.00 H new ATOM 935 N MET A 59 13.329 -6.843 -0.824 1.00 0.00 N ATOM 936 CA MET A 59 13.976 -5.671 -1.477 1.00 0.00 C ATOM 937 C MET A 59 14.169 -4.556 -0.448 1.00 0.00 C ATOM 938 O MET A 59 13.681 -4.631 0.661 1.00 0.00 O ATOM 939 CB MET A 59 13.085 -5.165 -2.615 1.00 0.00 C ATOM 940 CG MET A 59 11.615 -5.327 -2.223 1.00 0.00 C ATOM 941 SD MET A 59 10.618 -4.100 -3.104 1.00 0.00 S ATOM 942 CE MET A 59 10.627 -4.917 -4.718 1.00 0.00 C ATOM 0 H MET A 59 13.150 -6.739 0.175 1.00 0.00 H new ATOM 0 HA MET A 59 14.945 -5.968 -1.878 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.303 -4.118 -2.824 1.00 0.00 H new ATOM 0 HB3 MET A 59 13.292 -5.722 -3.529 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.271 -6.333 -2.465 1.00 0.00 H new ATOM 0 HG3 MET A 59 11.498 -5.201 -1.147 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.073 -4.312 -5.435 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.655 -5.035 -5.060 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.159 -5.897 -4.632 1.00 0.00 H new ATOM 952 N ASP A 60 14.879 -3.522 -0.805 1.00 0.00 N ATOM 953 CA ASP A 60 15.105 -2.404 0.155 1.00 0.00 C ATOM 954 C ASP A 60 14.039 -1.327 -0.059 1.00 0.00 C ATOM 955 O ASP A 60 14.019 -0.651 -1.068 1.00 0.00 O ATOM 956 CB ASP A 60 16.491 -1.803 -0.078 1.00 0.00 C ATOM 957 CG ASP A 60 16.756 -0.709 0.959 1.00 0.00 C ATOM 958 OD1 ASP A 60 15.799 -0.248 1.559 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.909 -0.351 1.133 1.00 0.00 O ATOM 0 H ASP A 60 15.313 -3.402 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 60 15.041 -2.782 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.252 -2.580 -0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 60 16.554 -1.388 -1.084 1.00 0.00 H new ATOM 964 N LEU A 61 13.154 -1.160 0.885 1.00 0.00 N ATOM 965 CA LEU A 61 12.089 -0.128 0.735 1.00 0.00 C ATOM 966 C LEU A 61 12.479 1.124 1.523 1.00 0.00 C ATOM 967 O LEU A 61 11.718 2.067 1.623 1.00 0.00 O ATOM 968 CB LEU A 61 10.767 -0.679 1.273 1.00 0.00 C ATOM 969 CG LEU A 61 10.038 -1.433 0.160 1.00 0.00 C ATOM 970 CD1 LEU A 61 10.842 -2.675 -0.227 1.00 0.00 C ATOM 971 CD2 LEU A 61 8.653 -1.858 0.656 1.00 0.00 C ATOM 0 H LEU A 61 13.122 -1.693 1.754 1.00 0.00 H new ATOM 0 HA LEU A 61 11.974 0.127 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.954 -1.345 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.145 0.136 1.643 1.00 0.00 H new ATOM 0 HG LEU A 61 9.931 -0.784 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.322 -3.212 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.829 -2.375 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.949 -3.325 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.132 -2.396 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.761 -2.507 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.079 -0.974 0.933 1.00 0.00 H new ATOM 983 N SER A 62 13.657 1.142 2.083 1.00 0.00 N ATOM 984 CA SER A 62 14.095 2.335 2.860 1.00 0.00 C ATOM 985 C SER A 62 13.777 3.605 2.067 1.00 0.00 C ATOM 986 O SER A 62 13.371 4.607 2.620 1.00 0.00 O ATOM 987 CB SER A 62 15.601 2.256 3.110 1.00 0.00 C ATOM 988 OG SER A 62 15.907 1.021 3.745 1.00 0.00 O ATOM 0 H SER A 62 14.335 0.382 2.036 1.00 0.00 H new ATOM 0 HA SER A 62 13.569 2.360 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.143 2.338 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.922 3.089 3.735 1.00 0.00 H new ATOM 0 HG SER A 62 16.023 0.324 3.066 1.00 0.00 H new ATOM 994 N THR A 63 13.956 3.569 0.775 1.00 0.00 N ATOM 995 CA THR A 63 13.649 4.770 -0.053 1.00 0.00 C ATOM 996 C THR A 63 12.233 4.648 -0.620 1.00 0.00 C ATOM 997 O THR A 63 12.009 4.827 -1.801 1.00 0.00 O ATOM 998 CB THR A 63 14.654 4.864 -1.205 1.00 0.00 C ATOM 999 OG1 THR A 63 14.624 3.659 -1.957 1.00 0.00 O ATOM 1000 CG2 THR A 63 16.057 5.084 -0.643 1.00 0.00 C ATOM 0 H THR A 63 14.301 2.761 0.257 1.00 0.00 H new ATOM 0 HA THR A 63 13.718 5.666 0.564 1.00 0.00 H new ATOM 0 HB THR A 63 14.390 5.701 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 63 15.265 3.718 -2.696 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.771 5.151 -1.464 1.00 0.00 H new ATOM 0 HG22 THR A 63 16.078 6.010 -0.068 1.00 0.00 H new ATOM 0 HG23 THR A 63 16.325 4.249 0.004 1.00 0.00 H new ATOM 1008 N PHE A 64 11.275 4.348 0.214 1.00 0.00 N ATOM 1009 CA PHE A 64 9.876 4.206 -0.281 1.00 0.00 C ATOM 1010 C PHE A 64 8.995 5.276 0.366 1.00 0.00 C ATOM 1011 O PHE A 64 9.027 5.479 1.564 1.00 0.00 O ATOM 1012 CB PHE A 64 9.344 2.819 0.085 1.00 0.00 C ATOM 1013 CG PHE A 64 7.864 2.753 -0.204 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.411 2.692 -1.528 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.944 2.755 0.850 1.00 0.00 C ATOM 1016 CE1 PHE A 64 6.039 2.632 -1.796 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.572 2.694 0.583 1.00 0.00 C ATOM 1018 CZ PHE A 64 5.118 2.633 -0.741 1.00 0.00 C ATOM 0 H PHE A 64 11.400 4.195 1.215 1.00 0.00 H new ATOM 0 HA PHE A 64 9.860 4.328 -1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.871 2.054 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.529 2.614 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.121 2.691 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.293 2.804 1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.690 2.585 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.863 2.694 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.059 2.587 -0.948 1.00 0.00 H new ATOM 1028 N ASP A 65 8.207 5.963 -0.415 1.00 0.00 N ATOM 1029 CA ASP A 65 7.324 7.016 0.156 1.00 0.00 C ATOM 1030 C ASP A 65 5.949 6.419 0.465 1.00 0.00 C ATOM 1031 O ASP A 65 5.175 6.128 -0.425 1.00 0.00 O ATOM 1032 CB ASP A 65 7.171 8.157 -0.853 1.00 0.00 C ATOM 1033 CG ASP A 65 8.472 8.957 -0.923 1.00 0.00 C ATOM 1034 OD1 ASP A 65 9.347 8.700 -0.113 1.00 0.00 O ATOM 1035 OD2 ASP A 65 8.571 9.814 -1.785 1.00 0.00 O ATOM 0 H ASP A 65 8.137 5.839 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 65 7.766 7.401 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.925 7.756 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.347 8.808 -0.559 1.00 0.00 H new ATOM 1040 N PHE A 66 5.641 6.235 1.719 1.00 0.00 N ATOM 1041 CA PHE A 66 4.318 5.651 2.082 1.00 0.00 C ATOM 1042 C PHE A 66 3.228 6.710 1.907 1.00 0.00 C ATOM 1043 O PHE A 66 2.145 6.427 1.434 1.00 0.00 O ATOM 1044 CB PHE A 66 4.349 5.187 3.539 1.00 0.00 C ATOM 1045 CG PHE A 66 3.055 4.482 3.871 1.00 0.00 C ATOM 1046 CD1 PHE A 66 1.950 5.219 4.312 1.00 0.00 C ATOM 1047 CD2 PHE A 66 2.961 3.091 3.737 1.00 0.00 C ATOM 1048 CE1 PHE A 66 0.750 4.567 4.619 1.00 0.00 C ATOM 1049 CE2 PHE A 66 1.761 2.438 4.045 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.656 3.176 4.486 1.00 0.00 C ATOM 0 H PHE A 66 6.247 6.463 2.507 1.00 0.00 H new ATOM 0 HA PHE A 66 4.106 4.801 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.193 4.516 3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.490 6.041 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.023 6.292 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.814 2.522 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.103 5.136 4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.688 1.365 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.269 2.672 4.724 1.00 0.00 H new ATOM 1060 N ARG A 67 3.505 7.928 2.285 1.00 0.00 N ATOM 1061 CA ARG A 67 2.480 9.002 2.148 1.00 0.00 C ATOM 1062 C ARG A 67 2.129 9.186 0.671 1.00 0.00 C ATOM 1063 O ARG A 67 1.009 9.507 0.325 1.00 0.00 O ATOM 1064 CB ARG A 67 3.038 10.311 2.709 1.00 0.00 C ATOM 1065 CG ARG A 67 3.550 10.083 4.132 1.00 0.00 C ATOM 1066 CD ARG A 67 2.362 9.895 5.078 1.00 0.00 C ATOM 1067 NE ARG A 67 2.855 9.814 6.482 1.00 0.00 N ATOM 1068 CZ ARG A 67 2.238 9.056 7.348 1.00 0.00 C ATOM 1069 NH1 ARG A 67 1.190 8.368 6.983 1.00 0.00 N ATOM 1070 NH2 ARG A 67 2.669 8.985 8.577 1.00 0.00 N ATOM 0 H ARG A 67 4.396 8.226 2.682 1.00 0.00 H new ATOM 0 HA ARG A 67 1.583 8.723 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.846 10.675 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.263 11.078 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.195 9.204 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.153 10.932 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.665 10.726 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.817 8.987 4.819 1.00 0.00 H new ATOM 0 HE ARG A 67 3.674 10.351 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.854 8.423 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.708 7.776 7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.488 9.522 8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.187 8.393 9.253 1.00 0.00 H new ATOM 1084 N THR A 68 3.076 8.986 -0.203 1.00 0.00 N ATOM 1085 CA THR A 68 2.799 9.163 -1.656 1.00 0.00 C ATOM 1086 C THR A 68 2.448 7.810 -2.277 1.00 0.00 C ATOM 1087 O THR A 68 1.922 7.734 -3.371 1.00 0.00 O ATOM 1088 CB THR A 68 4.039 9.735 -2.348 1.00 0.00 C ATOM 1089 OG1 THR A 68 5.013 8.712 -2.492 1.00 0.00 O ATOM 1090 CG2 THR A 68 4.614 10.876 -1.506 1.00 0.00 C ATOM 0 H THR A 68 4.030 8.708 0.026 1.00 0.00 H new ATOM 0 HA THR A 68 1.963 9.850 -1.784 1.00 0.00 H new ATOM 0 HB THR A 68 3.764 10.116 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.736 9.028 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.497 11.283 -1.999 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.865 11.661 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.890 10.498 -0.521 1.00 0.00 H new ATOM 1098 N GLY A 69 2.733 6.739 -1.589 1.00 0.00 N ATOM 1099 CA GLY A 69 2.423 5.391 -2.145 1.00 0.00 C ATOM 1100 C GLY A 69 3.308 5.123 -3.362 1.00 0.00 C ATOM 1101 O GLY A 69 2.950 4.374 -4.249 1.00 0.00 O ATOM 0 H GLY A 69 3.167 6.739 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.589 4.626 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.372 5.336 -2.428 1.00 0.00 H new ATOM 1105 N LYS A 70 4.462 5.729 -3.414 1.00 0.00 N ATOM 1106 CA LYS A 70 5.367 5.511 -4.577 1.00 0.00 C ATOM 1107 C LYS A 70 6.807 5.364 -4.082 1.00 0.00 C ATOM 1108 O LYS A 70 7.151 5.805 -3.003 1.00 0.00 O ATOM 1109 CB LYS A 70 5.275 6.707 -5.528 1.00 0.00 C ATOM 1110 CG LYS A 70 3.873 6.767 -6.137 1.00 0.00 C ATOM 1111 CD LYS A 70 3.767 7.984 -7.059 1.00 0.00 C ATOM 1112 CE LYS A 70 2.343 8.092 -7.603 1.00 0.00 C ATOM 1113 NZ LYS A 70 2.086 6.970 -8.550 1.00 0.00 N ATOM 0 H LYS A 70 4.817 6.366 -2.701 1.00 0.00 H new ATOM 0 HA LYS A 70 5.069 4.604 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.489 7.630 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.022 6.617 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.669 5.854 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.125 6.830 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.028 8.890 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.476 7.892 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.626 8.061 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.207 9.048 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.213 7.159 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.884 6.884 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.981 6.083 -8.017 1.00 0.00 H new ATOM 1127 N MET A 71 7.653 4.748 -4.861 1.00 0.00 N ATOM 1128 CA MET A 71 9.068 4.569 -4.432 1.00 0.00 C ATOM 1129 C MET A 71 9.907 5.747 -4.931 1.00 0.00 C ATOM 1130 O MET A 71 9.824 6.137 -6.078 1.00 0.00 O ATOM 1131 CB MET A 71 9.619 3.267 -5.018 1.00 0.00 C ATOM 1132 CG MET A 71 10.961 2.939 -4.362 1.00 0.00 C ATOM 1133 SD MET A 71 11.589 1.373 -5.021 1.00 0.00 S ATOM 1134 CE MET A 71 11.170 0.343 -3.593 1.00 0.00 C ATOM 0 H MET A 71 7.425 4.361 -5.777 1.00 0.00 H new ATOM 0 HA MET A 71 9.113 4.526 -3.344 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.913 2.454 -4.852 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.744 3.365 -6.096 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.676 3.739 -4.553 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.842 2.869 -3.281 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.475 -0.686 -3.785 1.00 0.00 H new ATOM 0 HE2 MET A 71 11.689 0.717 -2.710 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.094 0.377 -3.423 1.00 0.00 H new ATOM 1144 N LEU A 72 10.712 6.318 -4.078 1.00 0.00 N ATOM 1145 CA LEU A 72 11.547 7.477 -4.503 1.00 0.00 C ATOM 1146 C LEU A 72 10.704 8.431 -5.350 1.00 0.00 C ATOM 1147 CB LEU A 72 12.734 6.974 -5.329 1.00 0.00 C ATOM 1148 CG LEU A 72 13.548 8.168 -5.829 1.00 0.00 C ATOM 1149 CD1 LEU A 72 14.020 9.002 -4.636 1.00 0.00 C ATOM 1150 CD2 LEU A 72 14.765 7.662 -6.609 1.00 0.00 C ATOM 0 H LEU A 72 10.828 6.033 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 72 11.914 8.003 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.362 6.320 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.379 6.383 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 72 12.927 8.784 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.600 9.853 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.155 9.361 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.641 8.387 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.347 8.511 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 72 15.385 7.046 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.431 7.068 -7.459 1.00 0.00 H new