USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 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+ 163:sc= 0 (180deg=-0.213) USER MOD Single : A 10 CYS SG : rot 100:sc= -0.899 USER MOD Single : A 15 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.35) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 16:sc= -0.219 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -61:sc= 0.141 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 5:sc= 0.427 USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 0.255 (180deg=0.0542) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.72 F(o=-4.3!,f=-1.7) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -14:sc= -2.6 USER MOD Single : A 59 MET CE :methyl -123:sc= -0.955 (180deg=-5.19!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00721 USER MOD Single : A 68 THR OG1 : rot -143:sc= -3.26! USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0656 (180deg=-0.496) USER MOD Single : A 71 MET CE :methyl -118:sc= -0.0138 (180deg=-2.05!) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.599 5.885 -3.361 1.00 0.00 N ATOM 54 CA ARG A 5 -12.232 5.458 -2.949 1.00 0.00 C ATOM 55 C ARG A 5 -11.298 5.500 -4.160 1.00 0.00 C ATOM 56 O ARG A 5 -11.646 5.067 -5.240 1.00 0.00 O ATOM 57 CB ARG A 5 -12.288 4.032 -2.398 1.00 0.00 C ATOM 58 CG ARG A 5 -12.819 3.087 -3.478 1.00 0.00 C ATOM 59 CD ARG A 5 -12.995 1.686 -2.889 1.00 0.00 C ATOM 60 NE ARG A 5 -13.481 0.759 -3.951 1.00 0.00 N ATOM 61 CZ ARG A 5 -14.031 -0.378 -3.622 1.00 0.00 C ATOM 62 NH1 ARG A 5 -14.155 -0.703 -2.365 1.00 0.00 N ATOM 63 NH2 ARG A 5 -14.456 -1.189 -4.552 1.00 0.00 N ATOM 0 HA ARG A 5 -11.858 6.131 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.295 3.715 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.932 3.995 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.771 3.454 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.128 3.055 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.048 1.328 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.705 1.714 -2.062 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.384 1.013 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.822 -0.069 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.585 -1.592 -2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.358 -0.934 -5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.886 -2.078 -4.296 1.00 0.00 H new ATOM 77 N LYS A 6 -10.113 6.021 -3.989 1.00 0.00 N ATOM 78 CA LYS A 6 -9.152 6.074 -5.127 1.00 0.00 C ATOM 79 C LYS A 6 -8.390 4.751 -5.215 1.00 0.00 C ATOM 80 O LYS A 6 -8.467 3.919 -4.333 1.00 0.00 O ATOM 81 CB LYS A 6 -8.162 7.220 -4.903 1.00 0.00 C ATOM 82 CG LYS A 6 -8.913 8.552 -4.903 1.00 0.00 C ATOM 83 CD LYS A 6 -8.299 9.485 -3.857 1.00 0.00 C ATOM 84 CE LYS A 6 -8.537 10.940 -4.267 1.00 0.00 C ATOM 85 NZ LYS A 6 -10.000 11.186 -4.397 1.00 0.00 N ATOM 0 H LYS A 6 -9.770 6.412 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.697 6.240 -6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.641 7.084 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.404 7.218 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.861 9.011 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.968 8.387 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.742 9.294 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.230 9.292 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.109 11.613 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.037 11.149 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.182 12.210 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.342 10.781 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.499 10.739 -3.602 1.00 0.00 H new ATOM 99 N ARG A 7 -7.654 4.548 -6.274 1.00 0.00 N ATOM 100 CA ARG A 7 -6.907 3.269 -6.428 1.00 0.00 C ATOM 101 C ARG A 7 -5.712 3.486 -7.359 1.00 0.00 C ATOM 102 O ARG A 7 -5.833 3.415 -8.566 1.00 0.00 O ATOM 103 CB ARG A 7 -7.833 2.206 -7.024 1.00 0.00 C ATOM 104 CG ARG A 7 -7.085 0.876 -7.124 1.00 0.00 C ATOM 105 CD ARG A 7 -8.037 -0.208 -7.635 1.00 0.00 C ATOM 106 NE ARG A 7 -7.291 -1.488 -7.796 1.00 0.00 N ATOM 107 CZ ARG A 7 -7.129 -2.283 -6.774 1.00 0.00 C ATOM 108 NH1 ARG A 7 -7.621 -1.957 -5.610 1.00 0.00 N ATOM 109 NH2 ARG A 7 -6.476 -3.404 -6.916 1.00 0.00 N ATOM 0 H ARG A 7 -7.538 5.213 -7.039 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.552 2.935 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.720 2.091 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.175 2.518 -8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.234 0.975 -7.798 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.688 0.596 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.863 -0.341 -6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.472 0.094 -8.588 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.907 -1.743 -8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.132 -1.081 -5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.495 -2.578 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.092 -3.659 -7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.349 -4.025 -6.117 1.00 0.00 H new ATOM 123 N TRP A 8 -4.559 3.748 -6.809 1.00 0.00 N ATOM 124 CA TRP A 8 -3.359 3.970 -7.663 1.00 0.00 C ATOM 125 C TRP A 8 -2.381 2.807 -7.481 1.00 0.00 C ATOM 126 O TRP A 8 -2.176 2.322 -6.387 1.00 0.00 O ATOM 127 CB TRP A 8 -2.677 5.278 -7.255 1.00 0.00 C ATOM 128 CG TRP A 8 -3.702 6.359 -7.140 1.00 0.00 C ATOM 129 CD1 TRP A 8 -4.780 6.497 -7.946 1.00 0.00 C ATOM 130 CD2 TRP A 8 -3.768 7.453 -6.180 1.00 0.00 C ATOM 131 NE1 TRP A 8 -5.502 7.606 -7.542 1.00 0.00 N ATOM 132 CE2 TRP A 8 -4.919 8.228 -6.456 1.00 0.00 C ATOM 133 CE3 TRP A 8 -2.949 7.842 -5.105 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -5.244 9.351 -5.695 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.274 8.972 -4.335 1.00 0.00 C ATOM 136 CH2 TRP A 8 -4.420 9.724 -4.630 1.00 0.00 C ATOM 0 H TRP A 8 -4.396 3.818 -5.805 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.663 4.029 -8.708 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.160 5.150 -6.304 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.924 5.553 -7.993 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.035 5.847 -8.770 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.360 7.925 -7.992 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.065 7.269 -4.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.127 9.928 -5.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.638 9.262 -3.512 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.666 10.591 -4.035 1.00 0.00 H new ATOM 147 N GLU A 9 -1.777 2.355 -8.547 1.00 0.00 N ATOM 148 CA GLU A 9 -0.807 1.230 -8.432 1.00 0.00 C ATOM 149 C GLU A 9 0.562 1.777 -8.025 1.00 0.00 C ATOM 150 O GLU A 9 0.919 2.892 -8.349 1.00 0.00 O ATOM 151 CB GLU A 9 -0.691 0.518 -9.782 1.00 0.00 C ATOM 152 CG GLU A 9 -0.307 1.531 -10.862 1.00 0.00 C ATOM 153 CD GLU A 9 -0.248 0.830 -12.220 1.00 0.00 C ATOM 154 OE1 GLU A 9 0.100 -0.339 -12.247 1.00 0.00 O ATOM 155 OE2 GLU A 9 -0.552 1.474 -13.211 1.00 0.00 O ATOM 0 H GLU A 9 -1.914 2.716 -9.491 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.155 0.525 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.059 -0.271 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.638 0.041 -10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.035 2.342 -10.891 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.659 1.978 -10.629 1.00 0.00 H new ATOM 162 N CYS A 10 1.333 1.000 -7.313 1.00 0.00 N ATOM 163 CA CYS A 10 2.676 1.479 -6.878 1.00 0.00 C ATOM 164 C CYS A 10 3.761 0.634 -7.548 1.00 0.00 C ATOM 165 O CYS A 10 4.053 -0.467 -7.124 1.00 0.00 O ATOM 166 CB CYS A 10 2.795 1.351 -5.359 1.00 0.00 C ATOM 167 SG CYS A 10 1.362 2.128 -4.573 1.00 0.00 S ATOM 0 H CYS A 10 1.091 0.055 -7.014 1.00 0.00 H new ATOM 0 HA CYS A 10 2.800 2.523 -7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.853 0.300 -5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.714 1.825 -5.014 1.00 0.00 H new ATOM 0 HG CYS A 10 0.502 1.213 -4.237 1.00 0.00 H new ATOM 173 N PRO A 11 4.353 1.152 -8.589 1.00 0.00 N ATOM 174 CA PRO A 11 5.453 0.462 -9.321 1.00 0.00 C ATOM 175 C PRO A 11 6.616 0.084 -8.399 1.00 0.00 C ATOM 176 O PRO A 11 7.339 -0.858 -8.649 1.00 0.00 O ATOM 177 CB PRO A 11 5.905 1.492 -10.357 1.00 0.00 C ATOM 178 CG PRO A 11 4.749 2.422 -10.525 1.00 0.00 C ATOM 179 CD PRO A 11 4.033 2.459 -9.184 1.00 0.00 C ATOM 0 HA PRO A 11 5.118 -0.478 -9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.793 2.026 -10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.163 1.012 -11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.089 3.417 -10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.081 2.074 -11.313 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.387 3.281 -8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.958 2.592 -9.306 1.00 0.00 H new ATOM 187 N ALA A 12 6.800 0.815 -7.333 1.00 0.00 N ATOM 188 CA ALA A 12 7.915 0.497 -6.396 1.00 0.00 C ATOM 189 C ALA A 12 7.726 -0.915 -5.839 1.00 0.00 C ATOM 190 O ALA A 12 8.678 -1.630 -5.597 1.00 0.00 O ATOM 191 CB ALA A 12 7.914 1.504 -5.244 1.00 0.00 C ATOM 0 H ALA A 12 6.227 1.617 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 12 8.865 0.553 -6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.729 1.273 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.048 2.510 -5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.964 1.447 -4.712 1.00 0.00 H new ATOM 197 N LEU A 13 6.503 -1.325 -5.634 1.00 0.00 N ATOM 198 CA LEU A 13 6.256 -2.689 -5.089 1.00 0.00 C ATOM 199 C LEU A 13 6.120 -3.681 -6.246 1.00 0.00 C ATOM 200 O LEU A 13 5.809 -3.310 -7.361 1.00 0.00 O ATOM 201 CB LEU A 13 4.966 -2.685 -4.268 1.00 0.00 C ATOM 202 CG LEU A 13 4.945 -1.458 -3.356 1.00 0.00 C ATOM 203 CD1 LEU A 13 3.854 -1.626 -2.297 1.00 0.00 C ATOM 204 CD2 LEU A 13 6.303 -1.313 -2.666 1.00 0.00 C ATOM 0 H LEU A 13 5.665 -0.774 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 13 7.090 -2.983 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.101 -2.673 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.899 -3.595 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 13 4.740 -0.568 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.840 -0.751 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.885 -1.731 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.058 -2.516 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.289 -0.438 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.506 -2.204 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.082 -1.193 -3.418 1.00 0.00 H new ATOM 216 N PRO A 14 6.352 -4.937 -5.977 1.00 0.00 N ATOM 217 CA PRO A 14 6.251 -6.015 -7.001 1.00 0.00 C ATOM 218 C PRO A 14 4.884 -6.028 -7.695 1.00 0.00 C ATOM 219 O PRO A 14 3.870 -5.739 -7.092 1.00 0.00 O ATOM 220 CB PRO A 14 6.453 -7.302 -6.200 1.00 0.00 C ATOM 221 CG PRO A 14 7.187 -6.892 -4.965 1.00 0.00 C ATOM 222 CD PRO A 14 6.740 -5.465 -4.660 1.00 0.00 C ATOM 0 HA PRO A 14 6.980 -5.881 -7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.497 -7.765 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.024 -8.034 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.955 -7.559 -4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.265 -6.938 -5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.906 -5.447 -3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.544 -4.879 -4.214 1.00 0.00 H new ATOM 230 N GLN A 15 4.852 -6.358 -8.956 1.00 0.00 N ATOM 231 CA GLN A 15 3.553 -6.389 -9.685 1.00 0.00 C ATOM 232 C GLN A 15 2.533 -7.191 -8.875 1.00 0.00 C ATOM 233 O GLN A 15 2.784 -8.311 -8.476 1.00 0.00 O ATOM 234 CB GLN A 15 3.751 -7.050 -11.051 1.00 0.00 C ATOM 235 CG GLN A 15 4.828 -6.294 -11.833 1.00 0.00 C ATOM 236 CD GLN A 15 4.420 -4.827 -11.978 1.00 0.00 C ATOM 237 OE1 GLN A 15 3.290 -4.529 -12.313 1.00 0.00 O ATOM 238 NE2 GLN A 15 5.297 -3.891 -11.739 1.00 0.00 N ATOM 0 H GLN A 15 5.669 -6.608 -9.513 1.00 0.00 H new ATOM 0 HA GLN A 15 3.189 -5.371 -9.822 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.043 -8.092 -10.923 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.814 -7.048 -11.607 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.785 -6.367 -11.317 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.961 -6.744 -12.817 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.245 -4.140 -11.458 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.034 -2.910 -11.833 1.00 0.00 H new ATOM 247 N GLY A 16 1.382 -6.626 -8.628 1.00 0.00 N ATOM 248 CA GLY A 16 0.347 -7.355 -7.843 1.00 0.00 C ATOM 249 C GLY A 16 -0.062 -6.517 -6.630 1.00 0.00 C ATOM 250 O GLY A 16 -1.099 -6.733 -6.036 1.00 0.00 O ATOM 0 H GLY A 16 1.115 -5.691 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.523 -7.557 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.736 -8.320 -7.517 1.00 0.00 H new ATOM 254 N TRP A 17 0.744 -5.561 -6.259 1.00 0.00 N ATOM 255 CA TRP A 17 0.392 -4.698 -5.097 1.00 0.00 C ATOM 256 C TRP A 17 -0.341 -3.451 -5.592 1.00 0.00 C ATOM 257 O TRP A 17 -0.126 -2.989 -6.695 1.00 0.00 O ATOM 258 CB TRP A 17 1.669 -4.283 -4.364 1.00 0.00 C ATOM 259 CG TRP A 17 2.308 -5.490 -3.755 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.699 -6.590 -4.437 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.635 -5.736 -2.356 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.245 -7.496 -3.547 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.229 -7.016 -2.252 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.476 -4.982 -1.180 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.650 -7.530 -1.026 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.900 -5.495 0.057 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.485 -6.766 0.134 1.00 0.00 C ATOM 0 H TRP A 17 1.632 -5.340 -6.711 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.254 -5.252 -4.415 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.360 -3.803 -5.057 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.436 -3.552 -3.590 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.601 -6.737 -5.502 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.615 -8.408 -3.814 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.025 -4.002 -1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.100 -8.510 -0.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.774 -4.906 0.954 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.808 -7.155 1.088 1.00 0.00 H new ATOM 278 N GLU A 18 -1.207 -2.900 -4.784 1.00 0.00 N ATOM 279 CA GLU A 18 -1.962 -1.689 -5.214 1.00 0.00 C ATOM 280 C GLU A 18 -2.170 -0.765 -4.013 1.00 0.00 C ATOM 281 O GLU A 18 -2.071 -1.177 -2.874 1.00 0.00 O ATOM 282 CB GLU A 18 -3.322 -2.110 -5.776 1.00 0.00 C ATOM 283 CG GLU A 18 -3.118 -2.882 -7.082 1.00 0.00 C ATOM 284 CD GLU A 18 -2.808 -4.346 -6.765 1.00 0.00 C ATOM 285 OE1 GLU A 18 -2.676 -4.663 -5.594 1.00 0.00 O ATOM 286 OE2 GLU A 18 -2.708 -5.125 -7.698 1.00 0.00 O ATOM 0 H GLU A 18 -1.424 -3.236 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.398 -1.162 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.850 -2.731 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.942 -1.231 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.013 -2.814 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.301 -2.442 -7.654 1.00 0.00 H new ATOM 293 N ARG A 19 -2.461 0.484 -4.258 1.00 0.00 N ATOM 294 CA ARG A 19 -2.691 1.430 -3.130 1.00 0.00 C ATOM 295 C ARG A 19 -4.097 2.023 -3.242 1.00 0.00 C ATOM 296 O ARG A 19 -4.682 2.061 -4.305 1.00 0.00 O ATOM 297 CB ARG A 19 -1.656 2.557 -3.189 1.00 0.00 C ATOM 298 CG ARG A 19 -2.132 3.733 -2.334 1.00 0.00 C ATOM 299 CD ARG A 19 -1.009 4.765 -2.215 1.00 0.00 C ATOM 300 NE ARG A 19 -1.560 6.038 -1.673 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.779 6.868 -1.036 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.484 6.582 -0.875 1.00 0.00 N ATOM 303 NH2 ARG A 19 -1.262 7.983 -0.558 1.00 0.00 N ATOM 0 H ARG A 19 -2.549 0.889 -5.190 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.594 0.898 -2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.692 2.199 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.511 2.879 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.014 4.190 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.424 3.382 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.223 4.389 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.555 4.939 -3.191 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.547 6.261 -1.799 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.861 5.710 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.094 7.230 -0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.250 8.206 -0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.652 8.631 -0.060 1.00 0.00 H new ATOM 317 N GLU A 20 -4.644 2.487 -2.152 1.00 0.00 N ATOM 318 CA GLU A 20 -6.015 3.070 -2.197 1.00 0.00 C ATOM 319 C GLU A 20 -6.125 4.198 -1.169 1.00 0.00 C ATOM 320 O GLU A 20 -5.578 4.121 -0.087 1.00 0.00 O ATOM 321 CB GLU A 20 -7.043 1.983 -1.874 1.00 0.00 C ATOM 322 CG GLU A 20 -7.045 0.934 -2.987 1.00 0.00 C ATOM 323 CD GLU A 20 -8.089 -0.140 -2.675 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.766 -0.005 -1.670 1.00 0.00 O ATOM 325 OE2 GLU A 20 -8.193 -1.079 -3.448 1.00 0.00 O ATOM 0 H GLU A 20 -4.201 2.488 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.207 3.467 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.805 1.515 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.035 2.424 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.267 1.405 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.058 0.481 -3.076 1.00 0.00 H new ATOM 332 N GLU A 21 -6.830 5.246 -1.499 1.00 0.00 N ATOM 333 CA GLU A 21 -6.983 6.374 -0.538 1.00 0.00 C ATOM 334 C GLU A 21 -8.451 6.496 -0.125 1.00 0.00 C ATOM 335 O GLU A 21 -9.342 6.456 -0.951 1.00 0.00 O ATOM 336 CB GLU A 21 -6.530 7.676 -1.203 1.00 0.00 C ATOM 337 CG GLU A 21 -6.467 8.790 -0.157 1.00 0.00 C ATOM 338 CD GLU A 21 -5.893 10.057 -0.794 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.771 10.083 -2.008 1.00 0.00 O ATOM 340 OE2 GLU A 21 -5.587 10.980 -0.058 1.00 0.00 O ATOM 0 H GLU A 21 -7.306 5.369 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.372 6.185 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.552 7.540 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.222 7.950 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.463 8.988 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.846 8.479 0.683 1.00 0.00 H new ATOM 347 N VAL A 22 -8.711 6.642 1.145 1.00 0.00 N ATOM 348 CA VAL A 22 -10.125 6.740 1.607 1.00 0.00 C ATOM 349 C VAL A 22 -10.286 7.968 2.504 1.00 0.00 C ATOM 350 O VAL A 22 -9.608 8.113 3.502 1.00 0.00 O ATOM 351 CB VAL A 22 -10.491 5.482 2.398 1.00 0.00 C ATOM 352 CG1 VAL A 22 -12.012 5.330 2.441 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.876 4.257 1.717 1.00 0.00 C ATOM 0 H VAL A 22 -8.008 6.698 1.882 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.783 6.832 0.743 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.106 5.567 3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.272 4.434 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.451 6.203 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.398 5.245 1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.135 3.360 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.262 4.173 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.792 4.364 1.685 1.00 0.00 H new ATOM 363 N PRO A 23 -11.185 8.845 2.147 1.00 0.00 N ATOM 364 CA PRO A 23 -11.455 10.088 2.923 1.00 0.00 C ATOM 365 C PRO A 23 -12.287 9.815 4.179 1.00 0.00 C ATOM 366 O PRO A 23 -13.316 9.171 4.126 1.00 0.00 O ATOM 367 CB PRO A 23 -12.238 10.963 1.943 1.00 0.00 C ATOM 368 CG PRO A 23 -12.929 10.008 1.025 1.00 0.00 C ATOM 369 CD PRO A 23 -12.043 8.744 0.957 1.00 0.00 C ATOM 0 HA PRO A 23 -10.536 10.551 3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.956 11.594 2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.573 11.627 1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.924 9.764 1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.057 10.446 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.644 7.835 0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.453 8.719 0.041 1.00 0.00 H new ATOM 377 N ARG A 24 -11.851 10.300 5.309 1.00 0.00 N ATOM 378 CA ARG A 24 -12.618 10.068 6.566 1.00 0.00 C ATOM 379 C ARG A 24 -13.783 11.059 6.642 1.00 0.00 C ATOM 380 O ARG A 24 -13.769 12.097 6.013 1.00 0.00 O ATOM 381 CB ARG A 24 -11.697 10.269 7.771 1.00 0.00 C ATOM 382 CG ARG A 24 -10.493 9.332 7.655 1.00 0.00 C ATOM 383 CD ARG A 24 -10.892 7.928 8.110 1.00 0.00 C ATOM 384 NE ARG A 24 -11.417 7.988 9.505 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.017 6.951 10.022 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.158 5.861 9.319 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.476 7.004 11.241 1.00 0.00 N ATOM 0 H ARG A 24 -10.997 10.847 5.416 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.006 9.049 6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.362 11.305 7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.240 10.068 8.695 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.138 9.305 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.670 9.703 8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.650 7.519 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.032 7.260 8.062 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.307 8.840 10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.799 5.819 8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.627 5.050 9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.366 7.856 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.945 6.193 11.645 1.00 0.00 H new ATOM 490 N HIS A 32 -9.616 13.939 7.197 1.00 0.00 N ATOM 491 CA HIS A 32 -8.387 13.097 7.244 1.00 0.00 C ATOM 492 C HIS A 32 -8.477 12.004 6.177 1.00 0.00 C ATOM 493 O HIS A 32 -9.517 11.410 5.968 1.00 0.00 O ATOM 494 CB HIS A 32 -8.264 12.451 8.625 1.00 0.00 C ATOM 495 CG HIS A 32 -7.991 13.514 9.653 1.00 0.00 C ATOM 496 ND1 HIS A 32 -6.721 14.034 9.861 1.00 0.00 N ATOM 497 CD2 HIS A 32 -8.812 14.167 10.539 1.00 0.00 C ATOM 498 CE1 HIS A 32 -6.814 14.955 10.839 1.00 0.00 C ATOM 499 NE2 HIS A 32 -8.066 15.072 11.283 1.00 0.00 N ATOM 0 HA HIS A 32 -7.513 13.720 7.055 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.182 11.918 8.872 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.459 11.716 8.624 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.874 14.002 10.642 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.979 15.527 11.216 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.405 15.696 12.016 1.00 0.00 H new ATOM 508 N ARG A 33 -7.396 11.736 5.497 1.00 0.00 N ATOM 509 CA ARG A 33 -7.422 10.686 4.440 1.00 0.00 C ATOM 510 C ARG A 33 -6.496 9.536 4.838 1.00 0.00 C ATOM 511 O ARG A 33 -5.340 9.738 5.154 1.00 0.00 O ATOM 512 CB ARG A 33 -6.949 11.286 3.114 1.00 0.00 C ATOM 513 CG ARG A 33 -7.893 12.416 2.698 1.00 0.00 C ATOM 514 CD ARG A 33 -7.400 13.040 1.392 1.00 0.00 C ATOM 515 NE ARG A 33 -6.067 13.668 1.614 1.00 0.00 N ATOM 516 CZ ARG A 33 -5.986 14.848 2.165 1.00 0.00 C ATOM 517 NH1 ARG A 33 -7.072 15.479 2.520 1.00 0.00 N ATOM 518 NH2 ARG A 33 -4.818 15.399 2.360 1.00 0.00 N ATOM 0 H ARG A 33 -6.496 12.199 5.628 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.439 10.310 4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.933 11.666 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.924 10.516 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.904 12.030 2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.938 13.173 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.330 12.278 0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.112 13.787 1.042 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.218 13.176 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.984 15.050 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.008 16.401 2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.969 14.907 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.755 16.321 2.791 1.00 0.00 H new ATOM 532 N ASP A 34 -6.993 8.330 4.826 1.00 0.00 N ATOM 533 CA ASP A 34 -6.141 7.168 5.206 1.00 0.00 C ATOM 534 C ASP A 34 -5.770 6.377 3.950 1.00 0.00 C ATOM 535 O ASP A 34 -6.564 6.224 3.043 1.00 0.00 O ATOM 536 CB ASP A 34 -6.911 6.264 6.170 1.00 0.00 C ATOM 537 CG ASP A 34 -5.972 5.192 6.724 1.00 0.00 C ATOM 538 OD1 ASP A 34 -4.852 5.110 6.249 1.00 0.00 O ATOM 539 OD2 ASP A 34 -6.390 4.470 7.615 1.00 0.00 O ATOM 0 H ASP A 34 -7.953 8.099 4.569 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.233 7.526 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.327 6.855 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.750 5.797 5.655 1.00 0.00 H new ATOM 544 N VAL A 35 -4.569 5.870 3.891 1.00 0.00 N ATOM 545 CA VAL A 35 -4.146 5.097 2.689 1.00 0.00 C ATOM 546 C VAL A 35 -3.987 3.622 3.063 1.00 0.00 C ATOM 547 O VAL A 35 -3.327 3.283 4.024 1.00 0.00 O ATOM 548 CB VAL A 35 -2.810 5.640 2.179 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.414 4.902 0.899 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.951 7.135 1.880 1.00 0.00 C ATOM 0 H VAL A 35 -3.863 5.957 4.622 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.900 5.195 1.908 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.042 5.489 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.462 5.289 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.317 3.837 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.181 5.054 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.000 7.525 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.718 7.283 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.235 7.663 2.790 1.00 0.00 H new ATOM 560 N PHE A 36 -4.588 2.742 2.310 1.00 0.00 N ATOM 561 CA PHE A 36 -4.455 1.289 2.611 1.00 0.00 C ATOM 562 C PHE A 36 -3.747 0.589 1.449 1.00 0.00 C ATOM 563 O PHE A 36 -3.918 0.946 0.301 1.00 0.00 O ATOM 564 CB PHE A 36 -5.845 0.679 2.804 1.00 0.00 C ATOM 565 CG PHE A 36 -6.533 1.352 3.968 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.302 0.903 5.273 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.401 2.426 3.740 1.00 0.00 C ATOM 568 CE1 PHE A 36 -6.941 1.527 6.351 1.00 0.00 C ATOM 569 CE2 PHE A 36 -8.040 3.051 4.818 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.809 2.601 6.124 1.00 0.00 C ATOM 0 H PHE A 36 -5.165 2.967 1.500 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.871 1.159 3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.437 0.802 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.762 -0.392 2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.631 0.075 5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.578 2.773 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.764 1.179 7.358 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.710 3.879 4.642 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.301 3.083 6.956 1.00 0.00 H new ATOM 580 N TYR A 37 -2.953 -0.405 1.738 1.00 0.00 N ATOM 581 CA TYR A 37 -2.242 -1.131 0.649 1.00 0.00 C ATOM 582 C TYR A 37 -2.741 -2.576 0.589 1.00 0.00 C ATOM 583 O TYR A 37 -3.132 -3.150 1.585 1.00 0.00 O ATOM 584 CB TYR A 37 -0.736 -1.121 0.928 1.00 0.00 C ATOM 585 CG TYR A 37 -0.191 0.267 0.691 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.363 1.262 1.661 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.488 0.558 -0.498 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.143 2.548 1.442 1.00 0.00 C ATOM 589 CE2 TYR A 37 0.994 1.845 -0.718 1.00 0.00 C ATOM 590 CZ TYR A 37 0.821 2.840 0.252 1.00 0.00 C ATOM 591 OH TYR A 37 1.320 4.109 0.035 1.00 0.00 O ATOM 0 H TYR A 37 -2.766 -0.746 2.681 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.438 -0.640 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.543 -1.429 1.956 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.230 -1.838 0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.886 1.037 2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.622 -0.210 -1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.011 3.315 2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.517 2.070 -1.635 1.00 0.00 H new ATOM 0 HH TYR A 37 1.340 4.602 0.882 1.00 0.00 H new ATOM 601 N TYR A 38 -2.730 -3.169 -0.574 1.00 0.00 N ATOM 602 CA TYR A 38 -3.191 -4.580 -0.694 1.00 0.00 C ATOM 603 C TYR A 38 -2.120 -5.409 -1.407 1.00 0.00 C ATOM 604 O TYR A 38 -1.497 -4.959 -2.348 1.00 0.00 O ATOM 605 CB TYR A 38 -4.490 -4.624 -1.501 1.00 0.00 C ATOM 606 CG TYR A 38 -5.558 -3.838 -0.777 1.00 0.00 C ATOM 607 CD1 TYR A 38 -6.384 -4.475 0.156 1.00 0.00 C ATOM 608 CD2 TYR A 38 -5.721 -2.473 -1.041 1.00 0.00 C ATOM 609 CE1 TYR A 38 -7.375 -3.747 0.827 1.00 0.00 C ATOM 610 CE2 TYR A 38 -6.711 -1.744 -0.370 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.538 -2.381 0.563 1.00 0.00 C ATOM 612 OH TYR A 38 -8.514 -1.663 1.223 1.00 0.00 O ATOM 0 H TYR A 38 -2.422 -2.737 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.366 -4.991 0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.328 -4.208 -2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.812 -5.657 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.257 -5.528 0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.084 -1.982 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.013 -4.238 1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.836 -0.691 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.492 -0.730 0.924 1.00 0.00 H new ATOM 622 N SER A 39 -1.901 -6.618 -0.966 1.00 0.00 N ATOM 623 CA SER A 39 -0.880 -7.478 -1.626 1.00 0.00 C ATOM 624 C SER A 39 -1.569 -8.424 -2.612 1.00 0.00 C ATOM 625 O SER A 39 -2.777 -8.424 -2.743 1.00 0.00 O ATOM 626 CB SER A 39 -0.141 -8.296 -0.566 1.00 0.00 C ATOM 627 OG SER A 39 -0.450 -7.783 0.723 1.00 0.00 O ATOM 0 H SER A 39 -2.385 -7.047 -0.177 1.00 0.00 H new ATOM 0 HA SER A 39 -0.168 -6.850 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.431 -9.345 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.934 -8.251 -0.740 1.00 0.00 H new ATOM 0 HG SER A 39 -0.157 -6.850 0.783 1.00 0.00 H new ATOM 633 N PRO A 40 -0.799 -9.224 -3.298 1.00 0.00 N ATOM 634 CA PRO A 40 -1.329 -10.198 -4.295 1.00 0.00 C ATOM 635 C PRO A 40 -2.355 -11.154 -3.681 1.00 0.00 C ATOM 636 O PRO A 40 -3.250 -11.632 -4.349 1.00 0.00 O ATOM 637 CB PRO A 40 -0.088 -10.966 -4.750 1.00 0.00 C ATOM 638 CG PRO A 40 1.070 -10.077 -4.436 1.00 0.00 C ATOM 639 CD PRO A 40 0.666 -9.284 -3.196 1.00 0.00 C ATOM 0 HA PRO A 40 -1.853 -9.698 -5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.003 -11.919 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.134 -11.189 -5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.971 -10.661 -4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.289 -9.411 -5.271 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.986 -9.780 -2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.110 -8.289 -3.192 1.00 0.00 H new ATOM 647 N SER A 41 -2.233 -11.438 -2.413 1.00 0.00 N ATOM 648 CA SER A 41 -3.205 -12.357 -1.757 1.00 0.00 C ATOM 649 C SER A 41 -4.408 -11.555 -1.257 1.00 0.00 C ATOM 650 O SER A 41 -5.341 -12.101 -0.700 1.00 0.00 O ATOM 651 CB SER A 41 -2.530 -13.053 -0.576 1.00 0.00 C ATOM 652 OG SER A 41 -2.216 -12.090 0.421 1.00 0.00 O ATOM 0 H SER A 41 -1.502 -11.073 -1.803 1.00 0.00 H new ATOM 0 HA SER A 41 -3.541 -13.104 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.189 -13.817 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.623 -13.559 -0.907 1.00 0.00 H new ATOM 0 HG SER A 41 -1.784 -12.534 1.180 1.00 0.00 H new ATOM 658 N GLY A 42 -4.395 -10.265 -1.450 1.00 0.00 N ATOM 659 CA GLY A 42 -5.541 -9.431 -0.988 1.00 0.00 C ATOM 660 C GLY A 42 -5.364 -9.095 0.494 1.00 0.00 C ATOM 661 O GLY A 42 -6.313 -8.788 1.188 1.00 0.00 O ATOM 0 H GLY A 42 -3.641 -9.752 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.597 -8.514 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.478 -9.966 -1.141 1.00 0.00 H new ATOM 665 N LYS A 43 -4.157 -9.153 0.985 1.00 0.00 N ATOM 666 CA LYS A 43 -3.920 -8.829 2.421 1.00 0.00 C ATOM 667 C LYS A 43 -4.008 -7.315 2.623 1.00 0.00 C ATOM 668 O LYS A 43 -3.337 -6.550 1.960 1.00 0.00 O ATOM 669 CB LYS A 43 -2.529 -9.319 2.831 1.00 0.00 C ATOM 670 CG LYS A 43 -2.250 -8.910 4.279 1.00 0.00 C ATOM 671 CD LYS A 43 -0.873 -9.428 4.700 1.00 0.00 C ATOM 672 CE LYS A 43 -0.473 -8.791 6.032 1.00 0.00 C ATOM 673 NZ LYS A 43 0.843 -9.338 6.468 1.00 0.00 N ATOM 0 H LYS A 43 -3.325 -9.411 0.455 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.674 -9.322 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.469 -10.403 2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.773 -8.895 2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.287 -7.825 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.019 -9.315 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.895 -10.514 4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.134 -9.191 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.412 -7.708 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.232 -8.995 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.116 -8.906 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.769 -10.369 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.564 -9.122 5.750 1.00 0.00 H new ATOM 687 N LYS A 44 -4.832 -6.877 3.536 1.00 0.00 N ATOM 688 CA LYS A 44 -4.954 -5.414 3.789 1.00 0.00 C ATOM 689 C LYS A 44 -4.025 -5.014 4.936 1.00 0.00 C ATOM 690 O LYS A 44 -4.128 -5.520 6.036 1.00 0.00 O ATOM 691 CB LYS A 44 -6.400 -5.080 4.162 1.00 0.00 C ATOM 692 CG LYS A 44 -6.522 -3.580 4.440 1.00 0.00 C ATOM 693 CD LYS A 44 -7.972 -3.240 4.787 1.00 0.00 C ATOM 694 CE LYS A 44 -8.098 -1.739 5.045 1.00 0.00 C ATOM 695 NZ LYS A 44 -9.506 -1.413 5.415 1.00 0.00 N ATOM 0 H LYS A 44 -5.425 -7.469 4.117 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.675 -4.866 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.071 -5.366 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.701 -5.649 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.865 -3.297 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.203 -3.011 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.631 -3.536 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.286 -3.799 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.422 -1.439 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.806 -1.181 4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.591 -0.391 5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.141 -1.685 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.769 -1.935 6.275 1.00 0.00 H new ATOM 709 N PHE A 45 -3.117 -4.109 4.690 1.00 0.00 N ATOM 710 CA PHE A 45 -2.181 -3.680 5.766 1.00 0.00 C ATOM 711 C PHE A 45 -1.942 -2.173 5.664 1.00 0.00 C ATOM 712 O PHE A 45 -1.990 -1.599 4.594 1.00 0.00 O ATOM 713 CB PHE A 45 -0.850 -4.419 5.609 1.00 0.00 C ATOM 714 CG PHE A 45 -0.447 -4.427 4.154 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.180 -5.181 3.229 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.659 -3.681 3.730 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.806 -5.187 1.880 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.033 -3.689 2.381 1.00 0.00 C ATOM 719 CZ PHE A 45 0.300 -4.441 1.456 1.00 0.00 C ATOM 0 H PHE A 45 -2.984 -3.648 3.790 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.614 -3.914 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.080 -3.934 6.208 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.944 -5.441 5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.033 -5.757 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.224 -3.099 4.444 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.371 -5.768 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.887 -3.115 2.054 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.588 -4.446 0.415 1.00 0.00 H new ATOM 729 N ARG A 46 -1.687 -1.526 6.769 1.00 0.00 N ATOM 730 CA ARG A 46 -1.429 -0.059 6.730 1.00 0.00 C ATOM 731 C ARG A 46 -0.246 0.275 7.641 1.00 0.00 C ATOM 732 O ARG A 46 -0.401 0.906 8.668 1.00 0.00 O ATOM 733 CB ARG A 46 -2.674 0.690 7.213 1.00 0.00 C ATOM 734 CG ARG A 46 -3.151 0.086 8.535 1.00 0.00 C ATOM 735 CD ARG A 46 -4.250 -0.942 8.260 1.00 0.00 C ATOM 736 NE ARG A 46 -4.679 -1.566 9.543 1.00 0.00 N ATOM 737 CZ ARG A 46 -5.161 -2.779 9.550 1.00 0.00 C ATOM 738 NH1 ARG A 46 -5.266 -3.446 8.433 1.00 0.00 N ATOM 739 NH2 ARG A 46 -5.537 -3.326 10.674 1.00 0.00 N ATOM 0 H ARG A 46 -1.646 -1.950 7.696 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.197 0.243 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.447 1.748 7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.464 0.625 6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.317 -0.388 9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.528 0.871 9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.100 -0.461 7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.884 -1.707 7.576 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.596 -1.045 10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.971 -3.019 7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.643 -4.394 8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.454 -2.805 11.547 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.914 -4.274 10.679 1.00 0.00 H new ATOM 753 N SER A 47 0.934 -0.142 7.274 1.00 0.00 N ATOM 754 CA SER A 47 2.126 0.160 8.116 1.00 0.00 C ATOM 755 C SER A 47 3.370 0.243 7.228 1.00 0.00 C ATOM 756 O SER A 47 3.625 -0.628 6.419 1.00 0.00 O ATOM 757 CB SER A 47 2.312 -0.949 9.151 1.00 0.00 C ATOM 758 OG SER A 47 1.280 -0.860 10.124 1.00 0.00 O ATOM 0 H SER A 47 1.125 -0.679 6.428 1.00 0.00 H new ATOM 0 HA SER A 47 1.979 1.112 8.626 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.286 -1.924 8.665 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.287 -0.857 9.629 1.00 0.00 H new ATOM 0 HG SER A 47 0.645 -0.161 9.864 1.00 0.00 H new ATOM 764 N LYS A 48 4.145 1.281 7.372 1.00 0.00 N ATOM 765 CA LYS A 48 5.365 1.424 6.529 1.00 0.00 C ATOM 766 C LYS A 48 6.303 0.242 6.785 1.00 0.00 C ATOM 767 O LYS A 48 6.712 -0.446 5.871 1.00 0.00 O ATOM 768 CB LYS A 48 6.081 2.730 6.883 1.00 0.00 C ATOM 769 CG LYS A 48 7.581 2.575 6.629 1.00 0.00 C ATOM 770 CD LYS A 48 8.224 3.958 6.509 1.00 0.00 C ATOM 771 CE LYS A 48 9.683 3.806 6.072 1.00 0.00 C ATOM 772 NZ LYS A 48 10.166 5.095 5.501 1.00 0.00 N ATOM 0 H LYS A 48 3.986 2.037 8.038 1.00 0.00 H new ATOM 0 HA LYS A 48 5.080 1.441 5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.683 3.549 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.903 2.983 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.043 2.017 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.749 2.004 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.678 4.563 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.172 4.479 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.301 3.518 6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.771 3.012 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.891 4.905 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.369 5.602 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.575 5.679 6.258 1.00 0.00 H new ATOM 786 N PRO A 49 6.637 0.013 8.025 1.00 0.00 N ATOM 787 CA PRO A 49 7.550 -1.095 8.425 1.00 0.00 C ATOM 788 C PRO A 49 7.093 -2.449 7.874 1.00 0.00 C ATOM 789 O PRO A 49 7.894 -3.268 7.469 1.00 0.00 O ATOM 790 CB PRO A 49 7.483 -1.091 9.953 1.00 0.00 C ATOM 791 CG PRO A 49 6.303 -0.243 10.298 1.00 0.00 C ATOM 792 CD PRO A 49 6.178 0.792 9.185 1.00 0.00 C ATOM 0 HA PRO A 49 8.557 -0.949 8.034 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.367 -2.102 10.343 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.398 -0.685 10.385 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.398 -0.847 10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.442 0.241 11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.154 1.147 9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.800 1.669 9.365 1.00 0.00 H new ATOM 800 N GLN A 50 5.811 -2.691 7.856 1.00 0.00 N ATOM 801 CA GLN A 50 5.303 -3.980 7.310 1.00 0.00 C ATOM 802 C GLN A 50 5.623 -4.064 5.816 1.00 0.00 C ATOM 803 O GLN A 50 5.938 -5.115 5.297 1.00 0.00 O ATOM 804 CB GLN A 50 3.788 -4.059 7.512 1.00 0.00 C ATOM 805 CG GLN A 50 3.480 -4.245 9.000 1.00 0.00 C ATOM 806 CD GLN A 50 1.966 -4.330 9.201 1.00 0.00 C ATOM 807 OE1 GLN A 50 1.170 -3.984 8.226 1.00 0.00 O flip ATOM 808 NE2 GLN A 50 1.503 -4.716 10.256 1.00 0.00 N flip ATOM 0 H GLN A 50 5.093 -2.051 8.196 1.00 0.00 H new ATOM 0 HA GLN A 50 5.783 -4.808 7.831 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.313 -3.150 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.377 -4.889 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.958 -5.152 9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.888 -3.412 9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.125 -4.986 11.018 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.492 -4.770 10.380 1.00 0.00 H new ATOM 817 N LEU A 51 5.543 -2.962 5.121 1.00 0.00 N ATOM 818 CA LEU A 51 5.849 -2.978 3.662 1.00 0.00 C ATOM 819 C LEU A 51 7.323 -3.332 3.455 1.00 0.00 C ATOM 820 O LEU A 51 7.666 -4.132 2.606 1.00 0.00 O ATOM 821 CB LEU A 51 5.568 -1.597 3.067 1.00 0.00 C ATOM 822 CG LEU A 51 4.108 -1.522 2.619 1.00 0.00 C ATOM 823 CD1 LEU A 51 3.617 -0.077 2.713 1.00 0.00 C ATOM 824 CD2 LEU A 51 3.995 -2.005 1.171 1.00 0.00 C ATOM 0 H LEU A 51 5.279 -2.052 5.500 1.00 0.00 H new ATOM 0 HA LEU A 51 5.223 -3.721 3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.773 -0.822 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.229 -1.413 2.220 1.00 0.00 H new ATOM 0 HG LEU A 51 3.498 -2.155 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.576 -0.025 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.698 0.268 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.226 0.557 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.955 -1.952 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.606 -1.372 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.344 -3.035 1.103 1.00 0.00 H new ATOM 836 N ALA A 52 8.198 -2.743 4.221 1.00 0.00 N ATOM 837 CA ALA A 52 9.651 -3.034 4.055 1.00 0.00 C ATOM 838 C ALA A 52 9.960 -4.425 4.613 1.00 0.00 C ATOM 839 O ALA A 52 10.651 -5.211 3.998 1.00 0.00 O ATOM 840 CB ALA A 52 10.471 -1.987 4.813 1.00 0.00 C ATOM 0 H ALA A 52 7.971 -2.072 4.955 1.00 0.00 H new ATOM 0 HA ALA A 52 9.909 -3.001 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.533 -2.199 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.252 -0.996 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.213 -2.019 5.872 1.00 0.00 H new ATOM 846 N ARG A 53 9.453 -4.734 5.775 1.00 0.00 N ATOM 847 CA ARG A 53 9.722 -6.072 6.373 1.00 0.00 C ATOM 848 C ARG A 53 9.177 -7.163 5.449 1.00 0.00 C ATOM 849 O ARG A 53 9.828 -8.157 5.196 1.00 0.00 O ATOM 850 CB ARG A 53 9.036 -6.168 7.737 1.00 0.00 C ATOM 851 CG ARG A 53 9.375 -7.512 8.386 1.00 0.00 C ATOM 852 CD ARG A 53 8.629 -7.642 9.715 1.00 0.00 C ATOM 853 NE ARG A 53 9.161 -6.642 10.682 1.00 0.00 N ATOM 854 CZ ARG A 53 8.425 -6.249 11.685 1.00 0.00 C ATOM 855 NH1 ARG A 53 7.222 -6.731 11.841 1.00 0.00 N ATOM 856 NH2 ARG A 53 8.891 -5.372 12.534 1.00 0.00 N ATOM 0 H ARG A 53 8.864 -4.118 6.336 1.00 0.00 H new ATOM 0 HA ARG A 53 10.797 -6.205 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.363 -5.350 8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.957 -6.070 7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.098 -8.329 7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.450 -7.587 8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.561 -7.484 9.562 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.748 -8.649 10.114 1.00 0.00 H new ATOM 0 HE ARG A 53 10.101 -6.264 10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.857 -7.415 11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.647 -6.423 12.625 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.831 -4.994 12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.315 -5.065 13.318 1.00 0.00 H new ATOM 870 N TYR A 54 7.987 -6.985 4.944 1.00 0.00 N ATOM 871 CA TYR A 54 7.397 -8.018 4.046 1.00 0.00 C ATOM 872 C TYR A 54 8.199 -8.082 2.746 1.00 0.00 C ATOM 873 O TYR A 54 8.666 -9.129 2.344 1.00 0.00 O ATOM 874 CB TYR A 54 5.946 -7.653 3.734 1.00 0.00 C ATOM 875 CG TYR A 54 5.232 -8.859 3.169 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.267 -9.111 1.793 1.00 0.00 C ATOM 877 CD2 TYR A 54 4.537 -9.723 4.023 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.606 -10.230 1.271 1.00 0.00 C ATOM 879 CE2 TYR A 54 3.876 -10.841 3.500 1.00 0.00 C ATOM 880 CZ TYR A 54 3.911 -11.095 2.124 1.00 0.00 C ATOM 881 OH TYR A 54 3.259 -12.197 1.609 1.00 0.00 O ATOM 0 H TYR A 54 7.398 -6.170 5.114 1.00 0.00 H new ATOM 0 HA TYR A 54 7.429 -8.989 4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.444 -7.311 4.639 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.913 -6.830 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.803 -8.444 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.511 -9.527 5.085 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.633 -10.426 0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.339 -11.508 4.159 1.00 0.00 H new ATOM 0 HH TYR A 54 2.828 -12.692 2.337 1.00 0.00 H new ATOM 891 N LEU A 55 8.364 -6.969 2.084 1.00 0.00 N ATOM 892 CA LEU A 55 9.126 -6.970 0.803 1.00 0.00 C ATOM 893 C LEU A 55 10.600 -6.674 1.086 1.00 0.00 C ATOM 894 O LEU A 55 11.379 -6.437 0.185 1.00 0.00 O ATOM 895 CB LEU A 55 8.558 -5.896 -0.128 1.00 0.00 C ATOM 896 CG LEU A 55 7.118 -6.250 -0.500 1.00 0.00 C ATOM 897 CD1 LEU A 55 6.488 -5.087 -1.267 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.114 -7.502 -1.380 1.00 0.00 C ATOM 0 H LEU A 55 8.004 -6.060 2.375 1.00 0.00 H new ATOM 0 HA LEU A 55 9.037 -7.947 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.589 -4.923 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.169 -5.820 -1.028 1.00 0.00 H new ATOM 0 HG LEU A 55 6.544 -6.439 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.461 -5.340 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.492 -4.194 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.061 -4.897 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.088 -7.756 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.688 -7.311 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.563 -8.332 -0.834 1.00 0.00 H new ATOM 910 N GLY A 56 10.988 -6.687 2.332 1.00 0.00 N ATOM 911 CA GLY A 56 12.410 -6.398 2.671 1.00 0.00 C ATOM 912 C GLY A 56 13.328 -7.252 1.796 1.00 0.00 C ATOM 913 O GLY A 56 13.995 -6.756 0.909 1.00 0.00 O ATOM 0 H GLY A 56 10.383 -6.885 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.624 -5.340 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.594 -6.610 3.724 1.00 0.00 H new ATOM 917 N GLY A 57 13.371 -8.534 2.039 1.00 0.00 N ATOM 918 CA GLY A 57 14.257 -9.417 1.228 1.00 0.00 C ATOM 919 C GLY A 57 13.951 -9.224 -0.258 1.00 0.00 C ATOM 920 O GLY A 57 14.843 -9.120 -1.077 1.00 0.00 O ATOM 0 H GLY A 57 12.831 -9.008 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.303 -9.183 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.105 -10.459 1.509 1.00 0.00 H new ATOM 924 N SER A 58 12.696 -9.174 -0.614 1.00 0.00 N ATOM 925 CA SER A 58 12.335 -8.995 -2.049 1.00 0.00 C ATOM 926 C SER A 58 12.931 -7.683 -2.565 1.00 0.00 C ATOM 927 O SER A 58 13.247 -7.550 -3.731 1.00 0.00 O ATOM 928 CB SER A 58 10.813 -8.955 -2.189 1.00 0.00 C ATOM 929 OG SER A 58 10.314 -7.786 -1.551 1.00 0.00 O ATOM 0 H SER A 58 11.906 -9.249 0.026 1.00 0.00 H new ATOM 0 HA SER A 58 12.732 -9.827 -2.631 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.533 -8.956 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.371 -9.845 -1.741 1.00 0.00 H new ATOM 0 HG SER A 58 11.016 -7.395 -0.990 1.00 0.00 H new ATOM 935 N MET A 59 13.086 -6.712 -1.707 1.00 0.00 N ATOM 936 CA MET A 59 13.658 -5.410 -2.150 1.00 0.00 C ATOM 937 C MET A 59 13.720 -4.449 -0.961 1.00 0.00 C ATOM 938 O MET A 59 13.230 -4.741 0.111 1.00 0.00 O ATOM 939 CB MET A 59 12.773 -4.811 -3.246 1.00 0.00 C ATOM 940 CG MET A 59 11.305 -5.118 -2.940 1.00 0.00 C ATOM 941 SD MET A 59 10.292 -3.671 -3.338 1.00 0.00 S ATOM 942 CE MET A 59 10.363 -3.832 -5.138 1.00 0.00 C ATOM 0 H MET A 59 12.841 -6.765 -0.718 1.00 0.00 H new ATOM 0 HA MET A 59 14.663 -5.568 -2.541 1.00 0.00 H new ATOM 0 HB2 MET A 59 12.926 -3.733 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 59 13.048 -5.224 -4.217 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.973 -5.979 -3.521 1.00 0.00 H new ATOM 0 HG3 MET A 59 11.188 -5.379 -1.888 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.767 -2.916 -5.570 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.005 -4.672 -5.403 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.360 -4.005 -5.528 1.00 0.00 H new ATOM 952 N ASP A 60 14.319 -3.304 -1.143 1.00 0.00 N ATOM 953 CA ASP A 60 14.407 -2.324 -0.025 1.00 0.00 C ATOM 954 C ASP A 60 13.367 -1.220 -0.231 1.00 0.00 C ATOM 955 O ASP A 60 13.344 -0.559 -1.250 1.00 0.00 O ATOM 956 CB ASP A 60 15.807 -1.707 0.006 1.00 0.00 C ATOM 957 CG ASP A 60 16.796 -2.714 0.594 1.00 0.00 C ATOM 958 OD1 ASP A 60 16.347 -3.653 1.229 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.986 -2.530 0.397 1.00 0.00 O ATOM 0 H ASP A 60 14.751 -3.005 -2.017 1.00 0.00 H new ATOM 0 HA ASP A 60 14.214 -2.833 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.114 -1.425 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.801 -0.796 0.604 1.00 0.00 H new ATOM 964 N LEU A 61 12.506 -1.016 0.727 1.00 0.00 N ATOM 965 CA LEU A 61 11.463 0.039 0.581 1.00 0.00 C ATOM 966 C LEU A 61 11.668 1.111 1.653 1.00 0.00 C ATOM 967 O LEU A 61 10.806 1.935 1.893 1.00 0.00 O ATOM 968 CB LEU A 61 10.078 -0.588 0.744 1.00 0.00 C ATOM 969 CG LEU A 61 9.842 -1.606 -0.374 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.485 -2.282 -0.173 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.857 -0.888 -1.726 1.00 0.00 C ATOM 0 H LEU A 61 12.479 -1.534 1.605 1.00 0.00 H new ATOM 0 HA LEU A 61 11.542 0.494 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.000 -1.075 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.311 0.186 0.713 1.00 0.00 H new ATOM 0 HG LEU A 61 10.629 -2.359 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.318 -3.007 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.472 -2.792 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.697 -1.530 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.689 -1.611 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.069 -0.135 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.824 -0.406 -1.871 1.00 0.00 H new ATOM 983 N SER A 62 12.800 1.107 2.301 1.00 0.00 N ATOM 984 CA SER A 62 13.059 2.128 3.355 1.00 0.00 C ATOM 985 C SER A 62 12.896 3.528 2.760 1.00 0.00 C ATOM 986 O SER A 62 12.458 4.448 3.423 1.00 0.00 O ATOM 987 CB SER A 62 14.483 1.963 3.885 1.00 0.00 C ATOM 988 OG SER A 62 15.407 2.208 2.834 1.00 0.00 O ATOM 0 H SER A 62 13.557 0.441 2.146 1.00 0.00 H new ATOM 0 HA SER A 62 12.349 1.995 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.659 2.655 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.622 0.956 4.280 1.00 0.00 H new ATOM 0 HG SER A 62 16.321 2.105 3.171 1.00 0.00 H new ATOM 994 N THR A 63 13.244 3.698 1.514 1.00 0.00 N ATOM 995 CA THR A 63 13.105 5.038 0.877 1.00 0.00 C ATOM 996 C THR A 63 11.749 5.133 0.178 1.00 0.00 C ATOM 997 O THR A 63 11.543 5.957 -0.691 1.00 0.00 O ATOM 998 CB THR A 63 14.224 5.232 -0.150 1.00 0.00 C ATOM 999 OG1 THR A 63 14.295 4.090 -0.991 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.557 5.421 0.573 1.00 0.00 C ATOM 0 H THR A 63 13.619 2.967 0.909 1.00 0.00 H new ATOM 0 HA THR A 63 13.174 5.813 1.641 1.00 0.00 H new ATOM 0 HB THR A 63 14.015 6.115 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 63 15.010 4.213 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.352 5.559 -0.160 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.501 6.299 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.771 4.540 1.179 1.00 0.00 H new ATOM 1008 N PHE A 64 10.820 4.295 0.549 1.00 0.00 N ATOM 1009 CA PHE A 64 9.476 4.339 -0.095 1.00 0.00 C ATOM 1010 C PHE A 64 8.580 5.320 0.663 1.00 0.00 C ATOM 1011 O PHE A 64 8.541 5.331 1.877 1.00 0.00 O ATOM 1012 CB PHE A 64 8.849 2.944 -0.060 1.00 0.00 C ATOM 1013 CG PHE A 64 7.499 2.982 -0.737 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.417 3.171 -2.122 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.331 2.828 0.019 1.00 0.00 C ATOM 1016 CE1 PHE A 64 6.167 3.205 -2.751 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.081 2.863 -0.609 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.999 3.051 -1.995 1.00 0.00 C ATOM 0 H PHE A 64 10.933 3.582 1.270 1.00 0.00 H new ATOM 0 HA PHE A 64 9.579 4.666 -1.130 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.500 2.228 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.741 2.608 0.971 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.318 3.291 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.395 2.682 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.104 3.350 -3.819 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.180 2.745 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.034 3.077 -2.480 1.00 0.00 H new ATOM 1028 N ASP A 65 7.858 6.146 -0.044 1.00 0.00 N ATOM 1029 CA ASP A 65 6.959 7.120 0.636 1.00 0.00 C ATOM 1030 C ASP A 65 5.600 6.466 0.894 1.00 0.00 C ATOM 1031 O ASP A 65 4.852 6.185 -0.020 1.00 0.00 O ATOM 1032 CB ASP A 65 6.771 8.349 -0.256 1.00 0.00 C ATOM 1033 CG ASP A 65 6.061 9.450 0.533 1.00 0.00 C ATOM 1034 OD1 ASP A 65 5.439 9.127 1.533 1.00 0.00 O ATOM 1035 OD2 ASP A 65 6.149 10.596 0.126 1.00 0.00 O ATOM 0 H ASP A 65 7.852 6.188 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 65 7.403 7.423 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.738 8.706 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.187 8.085 -1.138 1.00 0.00 H new ATOM 1040 N PHE A 66 5.275 6.221 2.134 1.00 0.00 N ATOM 1041 CA PHE A 66 3.972 5.572 2.449 1.00 0.00 C ATOM 1042 C PHE A 66 2.844 6.594 2.305 1.00 0.00 C ATOM 1043 O PHE A 66 1.788 6.299 1.783 1.00 0.00 O ATOM 1044 CB PHE A 66 4.000 5.041 3.884 1.00 0.00 C ATOM 1045 CG PHE A 66 2.730 4.276 4.163 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.599 2.952 3.726 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.681 4.890 4.858 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.420 2.242 3.985 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.502 4.180 5.117 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.372 2.856 4.679 1.00 0.00 C ATOM 0 H PHE A 66 5.856 6.443 2.942 1.00 0.00 H new ATOM 0 HA PHE A 66 3.802 4.745 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.866 4.394 4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.101 5.868 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.408 2.478 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.781 5.911 5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.320 1.221 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.307 4.653 5.654 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.538 2.309 4.877 1.00 0.00 H new ATOM 1060 N ARG A 67 3.058 7.797 2.766 1.00 0.00 N ATOM 1061 CA ARG A 67 1.989 8.831 2.674 1.00 0.00 C ATOM 1062 C ARG A 67 1.660 9.096 1.203 1.00 0.00 C ATOM 1063 O ARG A 67 0.516 9.270 0.836 1.00 0.00 O ATOM 1064 CB ARG A 67 2.475 10.126 3.329 1.00 0.00 C ATOM 1065 CG ARG A 67 2.251 10.050 4.840 1.00 0.00 C ATOM 1066 CD ARG A 67 3.121 8.939 5.430 1.00 0.00 C ATOM 1067 NE ARG A 67 3.006 8.955 6.916 1.00 0.00 N ATOM 1068 CZ ARG A 67 2.029 8.320 7.502 1.00 0.00 C ATOM 1069 NH1 ARG A 67 1.151 7.669 6.787 1.00 0.00 N ATOM 1070 NH2 ARG A 67 1.928 8.334 8.804 1.00 0.00 N ATOM 0 H ARG A 67 3.926 8.108 3.202 1.00 0.00 H new ATOM 0 HA ARG A 67 1.095 8.476 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.533 10.279 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.939 10.979 2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.499 11.005 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.200 9.855 5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.807 7.971 5.041 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.160 9.080 5.133 1.00 0.00 H new ATOM 0 HE ARG A 67 3.692 9.463 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.229 7.657 5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.387 7.172 7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.613 8.842 9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.164 7.837 9.262 1.00 0.00 H new ATOM 1084 N THR A 68 2.655 9.126 0.359 1.00 0.00 N ATOM 1085 CA THR A 68 2.401 9.414 -1.081 1.00 0.00 C ATOM 1086 C THR A 68 2.466 8.111 -1.881 1.00 0.00 C ATOM 1087 O THR A 68 2.058 8.053 -3.024 1.00 0.00 O ATOM 1088 CB THR A 68 3.461 10.387 -1.602 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.729 9.744 -1.604 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.514 11.619 -0.698 1.00 0.00 C ATOM 0 H THR A 68 3.632 8.964 0.604 1.00 0.00 H new ATOM 0 HA THR A 68 1.413 9.860 -1.193 1.00 0.00 H new ATOM 0 HB THR A 68 3.206 10.695 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.423 10.388 -1.351 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.269 12.311 -1.070 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.541 12.111 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.769 11.315 0.317 1.00 0.00 H new ATOM 1098 N GLY A 69 2.975 7.066 -1.289 1.00 0.00 N ATOM 1099 CA GLY A 69 3.067 5.768 -2.018 1.00 0.00 C ATOM 1100 C GLY A 69 3.989 5.926 -3.228 1.00 0.00 C ATOM 1101 O GLY A 69 3.708 5.437 -4.303 1.00 0.00 O ATOM 0 H GLY A 69 3.331 7.054 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.450 4.993 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.076 5.450 -2.342 1.00 0.00 H new ATOM 1105 N LYS A 70 5.091 6.606 -3.061 1.00 0.00 N ATOM 1106 CA LYS A 70 6.028 6.799 -4.204 1.00 0.00 C ATOM 1107 C LYS A 70 7.456 6.490 -3.751 1.00 0.00 C ATOM 1108 O LYS A 70 7.783 6.594 -2.585 1.00 0.00 O ATOM 1109 CB LYS A 70 5.949 8.249 -4.689 1.00 0.00 C ATOM 1110 CG LYS A 70 4.573 8.506 -5.307 1.00 0.00 C ATOM 1111 CD LYS A 70 4.473 9.971 -5.738 1.00 0.00 C ATOM 1112 CE LYS A 70 3.063 10.256 -6.257 1.00 0.00 C ATOM 1113 NZ LYS A 70 2.780 9.384 -7.432 1.00 0.00 N ATOM 0 H LYS A 70 5.383 7.036 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 70 5.752 6.128 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.119 8.932 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.731 8.441 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.420 7.852 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.789 8.274 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.701 10.625 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.208 10.183 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.331 10.073 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.973 11.305 -6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.976 9.771 -7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.618 9.347 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.548 8.425 -7.104 1.00 0.00 H new ATOM 1127 N MET A 71 8.308 6.110 -4.662 1.00 0.00 N ATOM 1128 CA MET A 71 9.714 5.797 -4.283 1.00 0.00 C ATOM 1129 C MET A 71 10.573 7.056 -4.421 1.00 0.00 C ATOM 1130 O MET A 71 10.619 7.676 -5.464 1.00 0.00 O ATOM 1131 CB MET A 71 10.261 4.704 -5.205 1.00 0.00 C ATOM 1132 CG MET A 71 11.712 4.399 -4.832 1.00 0.00 C ATOM 1133 SD MET A 71 12.349 3.091 -5.908 1.00 0.00 S ATOM 1134 CE MET A 71 11.566 1.697 -5.059 1.00 0.00 C ATOM 0 H MET A 71 8.091 6.003 -5.653 1.00 0.00 H new ATOM 0 HA MET A 71 9.742 5.449 -3.250 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.655 3.802 -5.117 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.202 5.027 -6.244 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.321 5.297 -4.933 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.773 4.089 -3.789 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.335 1.028 -4.672 1.00 0.00 H new ATOM 0 HE2 MET A 71 10.959 2.068 -4.233 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.932 1.154 -5.760 1.00 0.00 H new ATOM 1144 N LEU A 72 11.255 7.438 -3.375 1.00 0.00 N ATOM 1145 CA LEU A 72 12.112 8.654 -3.449 1.00 0.00 C ATOM 1146 C LEU A 72 13.480 8.352 -2.835 1.00 0.00 C ATOM 1147 CB LEU A 72 11.447 9.795 -2.676 1.00 0.00 C ATOM 1148 CG LEU A 72 12.228 11.090 -2.903 1.00 0.00 C ATOM 1149 CD1 LEU A 72 11.734 11.767 -4.183 1.00 0.00 C ATOM 1150 CD2 LEU A 72 12.012 12.030 -1.715 1.00 0.00 C ATOM 0 H LEU A 72 11.255 6.960 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 72 12.238 8.946 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.415 9.918 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.416 9.558 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 72 13.289 10.861 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.291 12.690 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.886 11.098 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.673 11.996 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.568 12.953 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.950 12.258 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.363 11.549 -0.802 1.00 0.00 H new