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 Set 1.1: A 39 SER OG : rot 179:sc= -0.309 USER MOD Set 1.2: A 41 SER OG : rot -61:sc= 0.104 USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= -0.0584 (180deg=-0.576) USER MOD Single : A 10 CYS SG : rot 180:sc= -9.66! USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.591 USER MOD Single : A 38 TYR OH : rot 36:sc= 0.342 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0.358 (180deg=0.151) USER MOD Single : A 47 SER OG : rot 180:sc= -0.358 USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= -0.458 (180deg=-0.917) USER MOD Single : A 50 GLN : amide:sc= -0.684 K(o=-0.68,f=-1.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -138:sc= -0.152 (180deg=-1.11) USER MOD Single : A 62 SER OG : rot -32:sc= -1.17! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -146:sc= -3.45! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -107:sc= -0.166 (180deg=-1.56) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.409 6.157 -2.615 1.00 0.00 N ATOM 54 CA ARG A 5 -12.403 5.061 -2.525 1.00 0.00 C ATOM 55 C ARG A 5 -11.821 4.789 -3.915 1.00 0.00 C ATOM 56 O ARG A 5 -12.502 4.318 -4.803 1.00 0.00 O ATOM 57 CB ARG A 5 -13.076 3.792 -1.998 1.00 0.00 C ATOM 58 CG ARG A 5 -12.577 3.499 -0.583 1.00 0.00 C ATOM 59 CD ARG A 5 -13.296 2.267 -0.032 1.00 0.00 C ATOM 60 NE ARG A 5 -12.735 1.919 1.304 1.00 0.00 N ATOM 61 CZ ARG A 5 -13.160 2.539 2.372 1.00 0.00 C ATOM 62 NH1 ARG A 5 -14.078 3.461 2.269 1.00 0.00 N ATOM 63 NH2 ARG A 5 -12.668 2.234 3.542 1.00 0.00 N ATOM 0 HA ARG A 5 -11.603 5.357 -1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.159 3.917 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.854 2.951 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.500 3.330 -0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.758 4.358 0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.365 2.464 0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.178 1.428 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.019 1.197 1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.463 3.697 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.410 3.945 3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.952 1.512 3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.999 2.718 4.377 1.00 0.00 H new ATOM 77 N LYS A 6 -10.564 5.085 -4.108 1.00 0.00 N ATOM 78 CA LYS A 6 -9.941 4.846 -5.441 1.00 0.00 C ATOM 79 C LYS A 6 -8.746 3.904 -5.283 1.00 0.00 C ATOM 80 O LYS A 6 -7.751 4.243 -4.673 1.00 0.00 O ATOM 81 CB LYS A 6 -9.465 6.177 -6.028 1.00 0.00 C ATOM 82 CG LYS A 6 -9.065 7.122 -4.893 1.00 0.00 C ATOM 83 CD LYS A 6 -10.268 7.979 -4.493 1.00 0.00 C ATOM 84 CE LYS A 6 -9.837 9.008 -3.446 1.00 0.00 C ATOM 85 NZ LYS A 6 -8.877 9.967 -4.059 1.00 0.00 N ATOM 0 H LYS A 6 -9.943 5.481 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.675 4.395 -6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.617 6.011 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.257 6.626 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.713 6.549 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.240 7.760 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.675 8.484 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.061 7.347 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.708 9.542 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.374 8.506 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.881 10.855 -3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.921 9.558 -4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.158 10.159 -5.042 1.00 0.00 H new ATOM 99 N ARG A 7 -8.836 2.720 -5.827 1.00 0.00 N ATOM 100 CA ARG A 7 -7.703 1.759 -5.710 1.00 0.00 C ATOM 101 C ARG A 7 -6.930 1.719 -7.030 1.00 0.00 C ATOM 102 O ARG A 7 -7.482 1.444 -8.076 1.00 0.00 O ATOM 103 CB ARG A 7 -8.249 0.365 -5.396 1.00 0.00 C ATOM 104 CG ARG A 7 -7.100 -0.645 -5.393 1.00 0.00 C ATOM 105 CD ARG A 7 -6.790 -1.069 -6.830 1.00 0.00 C ATOM 106 NE ARG A 7 -6.613 -2.549 -6.885 1.00 0.00 N ATOM 107 CZ ARG A 7 -6.925 -3.202 -7.969 1.00 0.00 C ATOM 108 NH1 ARG A 7 -7.389 -2.560 -9.008 1.00 0.00 N ATOM 109 NH2 ARG A 7 -6.770 -4.498 -8.018 1.00 0.00 N ATOM 0 H ARG A 7 -9.644 2.378 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 7 -7.036 2.078 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.747 0.368 -4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.996 0.080 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.215 -0.204 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.369 -1.516 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.600 -0.764 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.886 -0.571 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.248 -3.050 -6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.507 -1.548 -8.971 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.633 -3.071 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.405 -4.999 -7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.014 -5.009 -8.866 1.00 0.00 H new ATOM 123 N TRP A 8 -5.654 1.991 -6.988 1.00 0.00 N ATOM 124 CA TRP A 8 -4.846 1.965 -8.240 1.00 0.00 C ATOM 125 C TRP A 8 -3.646 1.034 -8.053 1.00 0.00 C ATOM 126 O TRP A 8 -3.413 0.514 -6.980 1.00 0.00 O ATOM 127 CB TRP A 8 -4.352 3.377 -8.558 1.00 0.00 C ATOM 128 CG TRP A 8 -5.520 4.249 -8.896 1.00 0.00 C ATOM 129 CD1 TRP A 8 -6.469 3.952 -9.812 1.00 0.00 C ATOM 130 CD2 TRP A 8 -5.875 5.549 -8.342 1.00 0.00 C ATOM 131 NE1 TRP A 8 -7.385 4.988 -9.857 1.00 0.00 N ATOM 132 CE2 TRP A 8 -7.063 5.994 -8.970 1.00 0.00 C ATOM 133 CE3 TRP A 8 -5.289 6.375 -7.368 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -7.648 7.217 -8.639 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -5.875 7.607 -7.034 1.00 0.00 C ATOM 136 CH2 TRP A 8 -7.052 8.027 -7.668 1.00 0.00 C ATOM 0 H TRP A 8 -5.137 2.230 -6.142 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.462 1.603 -9.063 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.814 3.787 -7.703 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -3.651 3.349 -9.393 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -6.506 3.054 -10.410 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -8.199 5.006 -10.471 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.382 6.061 -6.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -8.556 7.536 -9.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.416 8.234 -6.284 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -7.498 8.975 -7.407 1.00 0.00 H new ATOM 147 N GLU A 9 -2.883 0.820 -9.089 1.00 0.00 N ATOM 148 CA GLU A 9 -1.695 -0.072 -8.967 1.00 0.00 C ATOM 149 C GLU A 9 -0.532 0.707 -8.351 1.00 0.00 C ATOM 150 O GLU A 9 -0.465 1.917 -8.443 1.00 0.00 O ATOM 151 CB GLU A 9 -1.292 -0.576 -10.356 1.00 0.00 C ATOM 152 CG GLU A 9 -0.336 -1.762 -10.210 1.00 0.00 C ATOM 153 CD GLU A 9 -1.127 -3.008 -9.809 1.00 0.00 C ATOM 154 OE1 GLU A 9 -2.345 -2.947 -9.836 1.00 0.00 O ATOM 155 OE2 GLU A 9 -0.501 -4.004 -9.484 1.00 0.00 O ATOM 0 H GLU A 9 -3.030 1.224 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.942 -0.920 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.177 -0.876 -10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.813 0.224 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.188 -1.938 -11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.422 -1.542 -9.458 1.00 0.00 H new ATOM 162 N CYS A 10 0.385 0.023 -7.722 1.00 0.00 N ATOM 163 CA CYS A 10 1.543 0.726 -7.101 1.00 0.00 C ATOM 164 C CYS A 10 2.830 0.321 -7.823 1.00 0.00 C ATOM 165 O CYS A 10 3.383 -0.733 -7.581 1.00 0.00 O ATOM 166 CB CYS A 10 1.643 0.337 -5.625 1.00 0.00 C ATOM 167 SG CYS A 10 -0.020 0.192 -4.925 1.00 0.00 S ATOM 0 H CYS A 10 0.382 -0.991 -7.612 1.00 0.00 H new ATOM 0 HA CYS A 10 1.402 1.804 -7.184 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.176 -0.608 -5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.215 1.087 -5.078 1.00 0.00 H new ATOM 0 HG CYS A 10 0.064 -0.141 -3.671 1.00 0.00 H new ATOM 173 N PRO A 11 3.301 1.162 -8.703 1.00 0.00 N ATOM 174 CA PRO A 11 4.551 0.910 -9.475 1.00 0.00 C ATOM 175 C PRO A 11 5.740 0.590 -8.565 1.00 0.00 C ATOM 176 O PRO A 11 6.568 -0.243 -8.876 1.00 0.00 O ATOM 177 CB PRO A 11 4.789 2.221 -10.225 1.00 0.00 C ATOM 178 CG PRO A 11 3.450 2.876 -10.314 1.00 0.00 C ATOM 179 CD PRO A 11 2.687 2.451 -9.058 1.00 0.00 C ATOM 0 HA PRO A 11 4.452 0.046 -10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.501 2.853 -9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.203 2.037 -11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.549 3.960 -10.362 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.922 2.564 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.795 3.181 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.620 2.347 -9.253 1.00 0.00 H new ATOM 187 N ALA A 12 5.831 1.248 -7.441 1.00 0.00 N ATOM 188 CA ALA A 12 6.972 0.989 -6.517 1.00 0.00 C ATOM 189 C ALA A 12 6.987 -0.489 -6.125 1.00 0.00 C ATOM 190 O ALA A 12 8.029 -1.105 -6.027 1.00 0.00 O ATOM 191 CB ALA A 12 6.815 1.848 -5.260 1.00 0.00 C ATOM 0 H ALA A 12 5.166 1.953 -7.123 1.00 0.00 H new ATOM 0 HA ALA A 12 7.908 1.241 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.649 1.659 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.805 2.902 -5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.879 1.596 -4.761 1.00 0.00 H new ATOM 197 N LEU A 13 5.837 -1.065 -5.900 1.00 0.00 N ATOM 198 CA LEU A 13 5.787 -2.503 -5.517 1.00 0.00 C ATOM 199 C LEU A 13 5.641 -3.362 -6.773 1.00 0.00 C ATOM 200 O LEU A 13 5.158 -2.908 -7.793 1.00 0.00 O ATOM 201 CB LEU A 13 4.589 -2.744 -4.594 1.00 0.00 C ATOM 202 CG LEU A 13 4.935 -2.288 -3.176 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.837 -3.327 -2.511 1.00 0.00 C ATOM 204 CD2 LEU A 13 5.667 -0.944 -3.238 1.00 0.00 C ATOM 0 H LEU A 13 4.931 -0.601 -5.965 1.00 0.00 H new ATOM 0 HA LEU A 13 6.707 -2.772 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.719 -2.199 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.325 -3.802 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 13 4.019 -2.178 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.083 -3.001 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.318 -4.285 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.754 -3.437 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.914 -0.617 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.583 -1.055 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.025 -0.202 -3.712 1.00 0.00 H new ATOM 216 N PRO A 14 6.057 -4.595 -6.698 1.00 0.00 N ATOM 217 CA PRO A 14 5.986 -5.545 -7.845 1.00 0.00 C ATOM 218 C PRO A 14 4.565 -5.680 -8.398 1.00 0.00 C ATOM 219 O PRO A 14 3.597 -5.361 -7.734 1.00 0.00 O ATOM 220 CB PRO A 14 6.457 -6.873 -7.251 1.00 0.00 C ATOM 221 CG PRO A 14 6.388 -6.695 -5.770 1.00 0.00 C ATOM 222 CD PRO A 14 6.645 -5.221 -5.503 1.00 0.00 C ATOM 0 HA PRO A 14 6.591 -5.207 -8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.821 -7.696 -7.577 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.472 -7.108 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.412 -6.995 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.131 -7.316 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.165 -4.882 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.708 -5.002 -5.407 1.00 0.00 H new ATOM 230 N GLN A 15 4.430 -6.149 -9.607 1.00 0.00 N ATOM 231 CA GLN A 15 3.072 -6.286 -10.207 1.00 0.00 C ATOM 232 C GLN A 15 2.187 -7.121 -9.280 1.00 0.00 C ATOM 233 O GLN A 15 2.526 -8.228 -8.914 1.00 0.00 O ATOM 234 CB GLN A 15 3.183 -6.977 -11.566 1.00 0.00 C ATOM 235 CG GLN A 15 1.804 -7.034 -12.225 1.00 0.00 C ATOM 236 CD GLN A 15 1.928 -7.635 -13.625 1.00 0.00 C ATOM 237 OE1 GLN A 15 3.008 -7.693 -14.181 1.00 0.00 O ATOM 238 NE2 GLN A 15 0.863 -8.089 -14.225 1.00 0.00 N ATOM 0 H GLN A 15 5.201 -6.444 -10.206 1.00 0.00 H new ATOM 0 HA GLN A 15 2.630 -5.298 -10.337 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.881 -6.436 -12.205 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.580 -7.984 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.125 -7.635 -11.619 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.377 -6.033 -12.285 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.044 -8.041 -13.760 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.937 -8.492 -15.159 1.00 0.00 H new ATOM 247 N GLY A 16 1.053 -6.600 -8.899 1.00 0.00 N ATOM 248 CA GLY A 16 0.140 -7.372 -8.009 1.00 0.00 C ATOM 249 C GLY A 16 -0.185 -6.544 -6.765 1.00 0.00 C ATOM 250 O GLY A 16 -1.170 -6.775 -6.093 1.00 0.00 O ATOM 0 H GLY A 16 0.719 -5.674 -9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.778 -7.622 -8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.608 -8.313 -7.720 1.00 0.00 H new ATOM 254 N TRP A 17 0.636 -5.578 -6.452 1.00 0.00 N ATOM 255 CA TRP A 17 0.358 -4.721 -5.265 1.00 0.00 C ATOM 256 C TRP A 17 -0.497 -3.525 -5.688 1.00 0.00 C ATOM 257 O TRP A 17 -0.307 -2.956 -6.744 1.00 0.00 O ATOM 258 CB TRP A 17 1.681 -4.221 -4.680 1.00 0.00 C ATOM 259 CG TRP A 17 2.423 -5.370 -4.076 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.918 -6.423 -4.765 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.763 -5.599 -2.677 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.540 -7.285 -3.880 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.471 -6.821 -2.581 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.529 -4.873 -1.496 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.930 -7.305 -1.356 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.988 -5.357 -0.261 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.688 -6.571 -0.191 1.00 0.00 C ATOM 0 H TRP A 17 1.486 -5.346 -6.966 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.177 -5.301 -4.513 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.283 -3.755 -5.460 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.492 -3.458 -3.924 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.840 -6.567 -5.832 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.994 -8.157 -4.153 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.993 -3.937 -1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.468 -8.240 -1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.801 -4.792 0.640 1.00 0.00 H new ATOM 0 HH2 TRP A 17 4.040 -6.938 0.762 1.00 0.00 H new ATOM 278 N GLU A 18 -1.439 -3.140 -4.871 1.00 0.00 N ATOM 279 CA GLU A 18 -2.319 -1.994 -5.235 1.00 0.00 C ATOM 280 C GLU A 18 -2.487 -1.074 -4.024 1.00 0.00 C ATOM 281 O GLU A 18 -2.396 -1.501 -2.891 1.00 0.00 O ATOM 282 CB GLU A 18 -3.688 -2.521 -5.671 1.00 0.00 C ATOM 283 CG GLU A 18 -3.523 -3.422 -6.895 1.00 0.00 C ATOM 284 CD GLU A 18 -3.095 -4.820 -6.446 1.00 0.00 C ATOM 285 OE1 GLU A 18 -2.862 -4.995 -5.261 1.00 0.00 O ATOM 286 OE2 GLU A 18 -3.007 -5.693 -7.294 1.00 0.00 O ATOM 0 H GLU A 18 -1.637 -3.570 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.867 -1.435 -6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.151 -3.078 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.352 -1.689 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.461 -3.477 -7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.778 -3.002 -7.571 1.00 0.00 H new ATOM 293 N ARG A 19 -2.734 0.186 -4.255 1.00 0.00 N ATOM 294 CA ARG A 19 -2.934 1.128 -3.117 1.00 0.00 C ATOM 295 C ARG A 19 -4.343 1.720 -3.188 1.00 0.00 C ATOM 296 O ARG A 19 -4.988 1.690 -4.218 1.00 0.00 O ATOM 297 CB ARG A 19 -1.902 2.254 -3.198 1.00 0.00 C ATOM 298 CG ARG A 19 -1.971 2.911 -4.579 1.00 0.00 C ATOM 299 CD ARG A 19 -0.976 4.072 -4.642 1.00 0.00 C ATOM 300 NE ARG A 19 -1.573 5.274 -3.995 1.00 0.00 N ATOM 301 CZ ARG A 19 -1.319 5.534 -2.742 1.00 0.00 C ATOM 302 NH1 ARG A 19 -0.540 4.743 -2.056 1.00 0.00 N ATOM 303 NH2 ARG A 19 -1.844 6.586 -2.175 1.00 0.00 N ATOM 0 H ARG A 19 -2.806 0.604 -5.182 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.812 0.592 -2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.094 2.994 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.902 1.858 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.742 2.179 -5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.981 3.273 -4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.049 3.798 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.723 4.292 -5.679 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.180 5.894 -4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.130 3.921 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.342 4.947 -1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.453 7.204 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.646 6.790 -1.195 1.00 0.00 H new ATOM 317 N GLU A 20 -4.827 2.258 -2.103 1.00 0.00 N ATOM 318 CA GLU A 20 -6.200 2.838 -2.107 1.00 0.00 C ATOM 319 C GLU A 20 -6.226 4.095 -1.235 1.00 0.00 C ATOM 320 O GLU A 20 -5.661 4.130 -0.160 1.00 0.00 O ATOM 321 CB GLU A 20 -7.189 1.811 -1.551 1.00 0.00 C ATOM 322 CG GLU A 20 -8.618 2.308 -1.772 1.00 0.00 C ATOM 323 CD GLU A 20 -9.609 1.216 -1.361 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.177 0.253 -0.749 1.00 0.00 O ATOM 325 OE2 GLU A 20 -10.781 1.360 -1.666 1.00 0.00 O ATOM 0 H GLU A 20 -4.332 2.321 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.481 3.098 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.047 0.849 -2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.007 1.654 -0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.794 3.212 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.765 2.571 -2.820 1.00 0.00 H new ATOM 332 N GLU A 21 -6.879 5.130 -1.691 1.00 0.00 N ATOM 333 CA GLU A 21 -6.938 6.386 -0.891 1.00 0.00 C ATOM 334 C GLU A 21 -8.365 6.594 -0.379 1.00 0.00 C ATOM 335 O GLU A 21 -9.321 6.507 -1.123 1.00 0.00 O ATOM 336 CB GLU A 21 -6.534 7.570 -1.771 1.00 0.00 C ATOM 337 CG GLU A 21 -5.049 7.465 -2.119 1.00 0.00 C ATOM 338 CD GLU A 21 -4.669 8.590 -3.084 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.553 9.336 -3.469 1.00 0.00 O ATOM 340 OE2 GLU A 21 -3.500 8.685 -3.420 1.00 0.00 O ATOM 0 H GLU A 21 -7.374 5.159 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.254 6.313 -0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.132 7.580 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.731 8.507 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.447 7.530 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.839 6.496 -2.572 1.00 0.00 H new ATOM 347 N VAL A 22 -8.518 6.867 0.889 1.00 0.00 N ATOM 348 CA VAL A 22 -9.884 7.076 1.445 1.00 0.00 C ATOM 349 C VAL A 22 -9.878 8.292 2.375 1.00 0.00 C ATOM 350 O VAL A 22 -9.126 8.351 3.329 1.00 0.00 O ATOM 351 CB VAL A 22 -10.309 5.836 2.232 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.821 5.871 2.464 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.944 4.580 1.437 1.00 0.00 C ATOM 0 H VAL A 22 -7.757 6.954 1.562 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.585 7.247 0.628 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.795 5.821 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.124 4.987 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.082 6.766 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.336 5.885 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.246 3.695 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.459 4.595 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.867 4.554 1.271 1.00 0.00 H new ATOM 363 N PRO A 23 -10.716 9.251 2.095 1.00 0.00 N ATOM 364 CA PRO A 23 -10.822 10.495 2.910 1.00 0.00 C ATOM 365 C PRO A 23 -11.563 10.261 4.230 1.00 0.00 C ATOM 366 O PRO A 23 -12.588 9.609 4.269 1.00 0.00 O ATOM 367 CB PRO A 23 -11.615 11.447 2.015 1.00 0.00 C ATOM 368 CG PRO A 23 -12.446 10.567 1.138 1.00 0.00 C ATOM 369 CD PRO A 23 -11.658 9.254 0.966 1.00 0.00 C ATOM 0 HA PRO A 23 -9.842 10.878 3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.241 12.114 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.950 12.076 1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.420 10.379 1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.627 11.040 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.317 8.387 0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.135 9.225 0.010 1.00 0.00 H new ATOM 377 N ARG A 24 -11.054 10.785 5.309 1.00 0.00 N ATOM 378 CA ARG A 24 -11.731 10.592 6.623 1.00 0.00 C ATOM 379 C ARG A 24 -12.688 11.759 6.879 1.00 0.00 C ATOM 380 O ARG A 24 -12.682 12.748 6.175 1.00 0.00 O ATOM 381 CB ARG A 24 -10.683 10.538 7.735 1.00 0.00 C ATOM 382 CG ARG A 24 -11.308 9.943 8.998 1.00 0.00 C ATOM 383 CD ARG A 24 -10.236 9.800 10.081 1.00 0.00 C ATOM 384 NE ARG A 24 -9.223 8.797 9.647 1.00 0.00 N ATOM 385 CZ ARG A 24 -8.132 8.628 10.342 1.00 0.00 C ATOM 386 NH1 ARG A 24 -7.928 9.339 11.417 1.00 0.00 N ATOM 387 NH2 ARG A 24 -7.245 7.751 9.961 1.00 0.00 N ATOM 0 H ARG A 24 -10.198 11.339 5.339 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.292 9.658 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.832 9.934 7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.304 11.539 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.115 10.583 9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.747 8.970 8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.757 10.762 10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.692 9.489 11.021 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.383 8.242 8.806 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.621 10.026 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.075 9.208 11.961 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.404 7.197 9.119 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.392 7.619 10.505 1.00 0.00 H new ATOM 490 N HIS A 32 -8.116 14.735 6.964 1.00 0.00 N ATOM 491 CA HIS A 32 -7.286 13.537 7.275 1.00 0.00 C ATOM 492 C HIS A 32 -7.580 12.435 6.255 1.00 0.00 C ATOM 493 O HIS A 32 -8.655 11.870 6.230 1.00 0.00 O ATOM 494 CB HIS A 32 -7.622 13.036 8.681 1.00 0.00 C ATOM 495 CG HIS A 32 -6.998 13.948 9.701 1.00 0.00 C ATOM 496 ND1 HIS A 32 -6.746 13.537 11.004 1.00 0.00 N ATOM 497 CD2 HIS A 32 -6.569 15.250 9.628 1.00 0.00 C ATOM 498 CE1 HIS A 32 -6.190 14.576 11.655 1.00 0.00 C ATOM 499 NE2 HIS A 32 -6.062 15.641 10.861 1.00 0.00 N ATOM 0 HA HIS A 32 -6.230 13.803 7.227 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.703 13.004 8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.254 12.019 8.814 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.618 15.874 8.748 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.885 14.551 12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.673 16.551 11.108 1.00 0.00 H new ATOM 508 N ARG A 33 -6.631 12.124 5.414 1.00 0.00 N ATOM 509 CA ARG A 33 -6.861 11.064 4.392 1.00 0.00 C ATOM 510 C ARG A 33 -5.944 9.873 4.679 1.00 0.00 C ATOM 511 O ARG A 33 -4.744 10.015 4.798 1.00 0.00 O ATOM 512 CB ARG A 33 -6.552 11.621 3.001 1.00 0.00 C ATOM 513 CG ARG A 33 -6.902 10.573 1.942 1.00 0.00 C ATOM 514 CD ARG A 33 -6.673 11.159 0.549 1.00 0.00 C ATOM 515 NE ARG A 33 -5.217 11.408 0.346 1.00 0.00 N ATOM 516 CZ ARG A 33 -4.806 12.053 -0.709 1.00 0.00 C ATOM 517 NH1 ARG A 33 -5.669 12.483 -1.590 1.00 0.00 N ATOM 518 NH2 ARG A 33 -3.531 12.272 -0.887 1.00 0.00 N ATOM 0 H ARG A 33 -5.708 12.558 5.391 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.901 10.741 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.123 12.533 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.497 11.887 2.930 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.288 9.683 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.941 10.263 2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.045 10.472 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.231 12.089 0.438 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.542 11.073 1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.665 12.314 -1.452 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.347 12.988 -2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.855 11.938 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.211 12.777 -1.713 1.00 0.00 H new ATOM 532 N ASP A 34 -6.501 8.697 4.791 1.00 0.00 N ATOM 533 CA ASP A 34 -5.661 7.499 5.074 1.00 0.00 C ATOM 534 C ASP A 34 -5.562 6.639 3.814 1.00 0.00 C ATOM 535 O ASP A 34 -6.515 6.486 3.076 1.00 0.00 O ATOM 536 CB ASP A 34 -6.299 6.684 6.200 1.00 0.00 C ATOM 537 CG ASP A 34 -7.736 6.323 5.818 1.00 0.00 C ATOM 538 OD1 ASP A 34 -7.923 5.776 4.744 1.00 0.00 O ATOM 539 OD2 ASP A 34 -8.626 6.601 6.606 1.00 0.00 O ATOM 0 H ASP A 34 -7.500 8.515 4.699 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.663 7.817 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.721 5.778 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.291 7.257 7.127 1.00 0.00 H new ATOM 544 N VAL A 35 -4.413 6.072 3.560 1.00 0.00 N ATOM 545 CA VAL A 35 -4.252 5.225 2.345 1.00 0.00 C ATOM 546 C VAL A 35 -3.986 3.778 2.765 1.00 0.00 C ATOM 547 O VAL A 35 -3.152 3.511 3.609 1.00 0.00 O ATOM 548 CB VAL A 35 -3.077 5.740 1.515 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.999 4.964 0.200 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.277 7.227 1.217 1.00 0.00 C ATOM 0 H VAL A 35 -3.580 6.159 4.142 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.163 5.269 1.748 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.151 5.601 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.160 5.333 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.856 3.904 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.925 5.101 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.439 7.595 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.204 7.365 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.331 7.782 2.154 1.00 0.00 H new ATOM 560 N PHE A 36 -4.686 2.843 2.185 1.00 0.00 N ATOM 561 CA PHE A 36 -4.462 1.415 2.546 1.00 0.00 C ATOM 562 C PHE A 36 -3.718 0.713 1.407 1.00 0.00 C ATOM 563 O PHE A 36 -3.878 1.045 0.250 1.00 0.00 O ATOM 564 CB PHE A 36 -5.812 0.728 2.773 1.00 0.00 C ATOM 565 CG PHE A 36 -6.590 1.484 3.822 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.253 1.354 5.174 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.649 2.318 3.442 1.00 0.00 C ATOM 568 CE1 PHE A 36 -6.976 2.054 6.147 1.00 0.00 C ATOM 569 CE2 PHE A 36 -8.371 3.021 4.415 1.00 0.00 C ATOM 570 CZ PHE A 36 -8.035 2.888 5.767 1.00 0.00 C ATOM 0 H PHE A 36 -5.403 3.005 1.478 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.868 1.359 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.376 0.693 1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.659 -0.303 3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.435 0.713 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.909 2.419 2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.717 1.951 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.187 3.665 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.592 3.429 6.518 1.00 0.00 H new ATOM 580 N TYR A 37 -2.906 -0.257 1.728 1.00 0.00 N ATOM 581 CA TYR A 37 -2.142 -0.971 0.665 1.00 0.00 C ATOM 582 C TYR A 37 -2.581 -2.435 0.619 1.00 0.00 C ATOM 583 O TYR A 37 -2.928 -3.022 1.624 1.00 0.00 O ATOM 584 CB TYR A 37 -0.646 -0.895 0.975 1.00 0.00 C ATOM 585 CG TYR A 37 -0.145 0.502 0.696 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.333 1.516 1.643 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.508 0.784 -0.510 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.131 2.810 1.384 1.00 0.00 C ATOM 589 CE2 TYR A 37 0.972 2.078 -0.769 1.00 0.00 C ATOM 590 CZ TYR A 37 0.783 3.093 0.178 1.00 0.00 C ATOM 591 OH TYR A 37 1.242 4.369 -0.077 1.00 0.00 O ATOM 0 H TYR A 37 -2.739 -0.586 2.679 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.337 -0.503 -0.300 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.466 -1.156 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.101 -1.617 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.836 1.299 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.654 0.002 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.014 3.591 2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.476 2.295 -1.699 1.00 0.00 H new ATOM 0 HH TYR A 37 1.475 4.808 0.768 1.00 0.00 H new ATOM 601 N TYR A 38 -2.571 -3.030 -0.543 1.00 0.00 N ATOM 602 CA TYR A 38 -3.000 -4.453 -0.654 1.00 0.00 C ATOM 603 C TYR A 38 -1.937 -5.249 -1.415 1.00 0.00 C ATOM 604 O TYR A 38 -1.331 -4.761 -2.347 1.00 0.00 O ATOM 605 CB TYR A 38 -4.330 -4.525 -1.408 1.00 0.00 C ATOM 606 CG TYR A 38 -5.382 -3.757 -0.648 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.563 -2.390 -0.889 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.179 -4.411 0.299 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.539 -1.677 -0.184 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.156 -3.698 1.005 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.335 -2.331 0.763 1.00 0.00 C ATOM 612 OH TYR A 38 -8.298 -1.628 1.459 1.00 0.00 O ATOM 0 H TYR A 38 -2.285 -2.593 -1.419 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.124 -4.875 0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.215 -4.111 -2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.637 -5.564 -1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.949 -1.885 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.040 -5.466 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.678 -0.622 -0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.771 -4.203 1.736 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.698 -0.953 0.872 1.00 0.00 H new ATOM 622 N SER A 39 -1.708 -6.474 -1.022 1.00 0.00 N ATOM 623 CA SER A 39 -0.688 -7.302 -1.726 1.00 0.00 C ATOM 624 C SER A 39 -1.383 -8.211 -2.741 1.00 0.00 C ATOM 625 O SER A 39 -2.594 -8.237 -2.838 1.00 0.00 O ATOM 626 CB SER A 39 0.065 -8.156 -0.707 1.00 0.00 C ATOM 627 OG SER A 39 -0.316 -9.517 -0.862 1.00 0.00 O ATOM 0 H SER A 39 -2.182 -6.935 -0.246 1.00 0.00 H new ATOM 0 HA SER A 39 0.016 -6.651 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.140 -8.049 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.158 -7.817 0.305 1.00 0.00 H new ATOM 0 HG SER A 39 0.178 -10.070 -0.221 1.00 0.00 H new ATOM 633 N PRO A 40 -0.615 -8.953 -3.491 1.00 0.00 N ATOM 634 CA PRO A 40 -1.150 -9.893 -4.518 1.00 0.00 C ATOM 635 C PRO A 40 -2.167 -10.876 -3.930 1.00 0.00 C ATOM 636 O PRO A 40 -3.056 -11.345 -4.610 1.00 0.00 O ATOM 637 CB PRO A 40 0.090 -10.639 -5.013 1.00 0.00 C ATOM 638 CG PRO A 40 1.244 -9.743 -4.705 1.00 0.00 C ATOM 639 CD PRO A 40 0.855 -8.976 -3.440 1.00 0.00 C ATOM 0 HA PRO A 40 -1.684 -9.366 -5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.195 -11.601 -4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.025 -10.842 -6.082 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.155 -10.320 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.439 -9.060 -5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.218 -9.474 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.272 -7.969 -3.437 1.00 0.00 H new ATOM 647 N SER A 41 -2.040 -11.192 -2.670 1.00 0.00 N ATOM 648 CA SER A 41 -3.002 -12.140 -2.039 1.00 0.00 C ATOM 649 C SER A 41 -4.187 -11.359 -1.467 1.00 0.00 C ATOM 650 O SER A 41 -5.096 -11.924 -0.891 1.00 0.00 O ATOM 651 CB SER A 41 -2.302 -12.901 -0.913 1.00 0.00 C ATOM 652 OG SER A 41 -1.965 -11.994 0.128 1.00 0.00 O ATOM 0 H SER A 41 -1.312 -10.835 -2.051 1.00 0.00 H new ATOM 0 HA SER A 41 -3.360 -12.847 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.953 -13.687 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.403 -13.388 -1.292 1.00 0.00 H new ATOM 0 HG SER A 41 -1.347 -11.316 -0.216 1.00 0.00 H new ATOM 658 N GLY A 42 -4.184 -10.063 -1.621 1.00 0.00 N ATOM 659 CA GLY A 42 -5.308 -9.247 -1.079 1.00 0.00 C ATOM 660 C GLY A 42 -5.057 -8.948 0.400 1.00 0.00 C ATOM 661 O GLY A 42 -5.956 -8.584 1.132 1.00 0.00 O ATOM 0 H GLY A 42 -3.453 -9.535 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.398 -8.316 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.250 -9.782 -1.198 1.00 0.00 H new ATOM 665 N LYS A 43 -3.840 -9.099 0.846 1.00 0.00 N ATOM 666 CA LYS A 43 -3.532 -8.821 2.278 1.00 0.00 C ATOM 667 C LYS A 43 -3.613 -7.316 2.534 1.00 0.00 C ATOM 668 O LYS A 43 -2.931 -6.532 1.906 1.00 0.00 O ATOM 669 CB LYS A 43 -2.121 -9.319 2.601 1.00 0.00 C ATOM 670 CG LYS A 43 -1.796 -9.016 4.065 1.00 0.00 C ATOM 671 CD LYS A 43 -0.363 -9.454 4.370 1.00 0.00 C ATOM 672 CE LYS A 43 0.098 -8.816 5.684 1.00 0.00 C ATOM 673 NZ LYS A 43 -0.787 -9.272 6.794 1.00 0.00 N ATOM 0 H LYS A 43 -3.046 -9.402 0.282 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.254 -9.336 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.051 -10.391 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.395 -8.835 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.911 -7.950 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.494 -9.538 4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.311 -10.540 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.300 -9.157 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.132 -9.092 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.068 -7.729 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.354 -9.025 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.714 -8.807 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.911 -10.303 6.738 1.00 0.00 H new ATOM 687 N LYS A 44 -4.443 -6.905 3.454 1.00 0.00 N ATOM 688 CA LYS A 44 -4.566 -5.450 3.750 1.00 0.00 C ATOM 689 C LYS A 44 -3.609 -5.076 4.883 1.00 0.00 C ATOM 690 O LYS A 44 -3.628 -5.666 5.945 1.00 0.00 O ATOM 691 CB LYS A 44 -6.003 -5.136 4.173 1.00 0.00 C ATOM 692 CG LYS A 44 -6.151 -3.629 4.402 1.00 0.00 C ATOM 693 CD LYS A 44 -7.602 -3.307 4.760 1.00 0.00 C ATOM 694 CE LYS A 44 -7.754 -1.798 4.965 1.00 0.00 C ATOM 695 NZ LYS A 44 -6.863 -1.355 6.074 1.00 0.00 N ATOM 0 H LYS A 44 -5.041 -7.514 4.013 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.315 -4.876 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.700 -5.468 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.252 -5.679 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.487 -3.305 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.857 -3.084 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.267 -3.646 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.891 -3.839 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.500 -1.268 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.791 -1.554 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.941 -0.325 6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.147 -1.826 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.879 -1.605 5.849 1.00 0.00 H new ATOM 709 N PHE A 45 -2.770 -4.101 4.666 1.00 0.00 N ATOM 710 CA PHE A 45 -1.807 -3.694 5.729 1.00 0.00 C ATOM 711 C PHE A 45 -1.683 -2.169 5.748 1.00 0.00 C ATOM 712 O PHE A 45 -1.778 -1.517 4.727 1.00 0.00 O ATOM 713 CB PHE A 45 -0.440 -4.316 5.443 1.00 0.00 C ATOM 714 CG PHE A 45 -0.157 -4.248 3.961 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.734 -5.181 3.094 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.686 -3.250 3.456 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.470 -5.118 1.721 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.950 -3.186 2.082 1.00 0.00 C ATOM 719 CZ PHE A 45 0.371 -4.120 1.214 1.00 0.00 C ATOM 0 H PHE A 45 -2.709 -3.568 3.798 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.167 -4.040 6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.335 -3.787 5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.422 -5.352 5.781 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.384 -5.951 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.132 -2.530 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.915 -5.840 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.600 -2.417 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.573 -4.071 0.154 1.00 0.00 H new ATOM 729 N ARG A 46 -1.470 -1.597 6.902 1.00 0.00 N ATOM 730 CA ARG A 46 -1.321 -0.115 6.981 1.00 0.00 C ATOM 731 C ARG A 46 -0.200 0.232 7.961 1.00 0.00 C ATOM 732 O ARG A 46 -0.410 0.917 8.942 1.00 0.00 O ATOM 733 CB ARG A 46 -2.634 0.503 7.467 1.00 0.00 C ATOM 734 CG ARG A 46 -3.234 -0.373 8.567 1.00 0.00 C ATOM 735 CD ARG A 46 -4.418 0.354 9.209 1.00 0.00 C ATOM 736 NE ARG A 46 -3.921 1.524 9.987 1.00 0.00 N ATOM 737 CZ ARG A 46 -4.158 2.736 9.566 1.00 0.00 C ATOM 738 NH1 ARG A 46 -4.830 2.924 8.464 1.00 0.00 N ATOM 739 NH2 ARG A 46 -3.722 3.760 10.248 1.00 0.00 N ATOM 0 H ARG A 46 -1.393 -2.090 7.792 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.076 0.280 5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.456 1.510 7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.335 0.594 6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.561 -1.326 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.479 -0.597 9.321 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.115 0.685 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.964 -0.326 9.863 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.395 1.377 10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.170 2.123 7.931 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.015 3.872 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.196 3.612 11.110 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.907 4.708 9.919 1.00 0.00 H new ATOM 753 N SER A 47 0.992 -0.233 7.704 1.00 0.00 N ATOM 754 CA SER A 47 2.125 0.071 8.622 1.00 0.00 C ATOM 755 C SER A 47 3.438 0.049 7.838 1.00 0.00 C ATOM 756 O SER A 47 3.708 -0.868 7.087 1.00 0.00 O ATOM 757 CB SER A 47 2.178 -0.979 9.732 1.00 0.00 C ATOM 758 OG SER A 47 0.853 -1.350 10.090 1.00 0.00 O ATOM 0 H SER A 47 1.230 -0.810 6.898 1.00 0.00 H new ATOM 0 HA SER A 47 1.980 1.058 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.735 -1.854 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.704 -0.581 10.600 1.00 0.00 H new ATOM 0 HG SER A 47 0.883 -2.024 10.800 1.00 0.00 H new ATOM 764 N LYS A 48 4.257 1.052 8.003 1.00 0.00 N ATOM 765 CA LYS A 48 5.551 1.088 7.267 1.00 0.00 C ATOM 766 C LYS A 48 6.399 -0.122 7.669 1.00 0.00 C ATOM 767 O LYS A 48 6.977 -0.790 6.835 1.00 0.00 O ATOM 768 CB LYS A 48 6.301 2.375 7.615 1.00 0.00 C ATOM 769 CG LYS A 48 6.617 3.144 6.331 1.00 0.00 C ATOM 770 CD LYS A 48 7.687 2.394 5.535 1.00 0.00 C ATOM 771 CE LYS A 48 7.567 2.752 4.054 1.00 0.00 C ATOM 772 NZ LYS A 48 7.436 4.230 3.908 1.00 0.00 N ATOM 0 H LYS A 48 4.085 1.848 8.617 1.00 0.00 H new ATOM 0 HA LYS A 48 5.360 1.059 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.698 2.991 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.223 2.139 8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.714 3.256 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.966 4.148 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.679 2.655 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.569 1.319 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.444 2.399 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.701 2.255 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.508 4.487 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.513 4.535 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.196 4.700 4.441 1.00 0.00 H new ATOM 786 N PRO A 49 6.469 -0.395 8.943 1.00 0.00 N ATOM 787 CA PRO A 49 7.249 -1.547 9.481 1.00 0.00 C ATOM 788 C PRO A 49 6.825 -2.877 8.853 1.00 0.00 C ATOM 789 O PRO A 49 7.648 -3.698 8.498 1.00 0.00 O ATOM 790 CB PRO A 49 6.928 -1.537 10.977 1.00 0.00 C ATOM 791 CG PRO A 49 6.486 -0.143 11.281 1.00 0.00 C ATOM 792 CD PRO A 49 5.807 0.369 10.012 1.00 0.00 C ATOM 0 HA PRO A 49 8.313 -1.452 9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.146 -2.258 11.215 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.803 -1.809 11.568 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.797 -0.127 12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.335 0.486 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.732 0.188 10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.947 1.443 9.886 1.00 0.00 H new ATOM 800 N GLN A 50 5.545 -3.096 8.711 1.00 0.00 N ATOM 801 CA GLN A 50 5.072 -4.367 8.094 1.00 0.00 C ATOM 802 C GLN A 50 5.522 -4.425 6.632 1.00 0.00 C ATOM 803 O GLN A 50 5.862 -5.472 6.118 1.00 0.00 O ATOM 804 CB GLN A 50 3.545 -4.428 8.161 1.00 0.00 C ATOM 805 CG GLN A 50 3.103 -4.600 9.615 1.00 0.00 C ATOM 806 CD GLN A 50 3.551 -5.969 10.126 1.00 0.00 C ATOM 807 OE1 GLN A 50 4.683 -6.137 10.541 1.00 0.00 O ATOM 808 NE2 GLN A 50 2.708 -6.966 10.116 1.00 0.00 N ATOM 0 H GLN A 50 4.808 -2.450 8.995 1.00 0.00 H new ATOM 0 HA GLN A 50 5.494 -5.213 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.116 -3.517 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.177 -5.258 7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.533 -3.811 10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.019 -4.509 9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.759 -6.828 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.999 -7.883 10.455 1.00 0.00 H new ATOM 817 N LEU A 51 5.526 -3.307 5.960 1.00 0.00 N ATOM 818 CA LEU A 51 5.950 -3.299 4.532 1.00 0.00 C ATOM 819 C LEU A 51 7.408 -3.750 4.430 1.00 0.00 C ATOM 820 O LEU A 51 7.765 -4.543 3.580 1.00 0.00 O ATOM 821 CB LEU A 51 5.814 -1.884 3.967 1.00 0.00 C ATOM 822 CG LEU A 51 4.392 -1.676 3.445 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.188 -0.203 3.085 1.00 0.00 C ATOM 824 CD2 LEU A 51 4.177 -2.539 2.198 1.00 0.00 C ATOM 0 H LEU A 51 5.254 -2.399 6.338 1.00 0.00 H new ATOM 0 HA LEU A 51 5.318 -3.980 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.040 -1.149 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.534 -1.732 3.163 1.00 0.00 H new ATOM 0 HG LEU A 51 3.677 -1.963 4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.174 -0.056 2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.342 0.413 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.902 0.085 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.164 -2.392 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.893 -2.251 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.321 -3.589 2.453 1.00 0.00 H new ATOM 836 N ALA A 52 8.255 -3.252 5.289 1.00 0.00 N ATOM 837 CA ALA A 52 9.690 -3.651 5.238 1.00 0.00 C ATOM 838 C ALA A 52 9.855 -5.043 5.850 1.00 0.00 C ATOM 839 O ALA A 52 10.511 -5.903 5.295 1.00 0.00 O ATOM 840 CB ALA A 52 10.527 -2.644 6.029 1.00 0.00 C ATOM 0 H ALA A 52 8.015 -2.586 6.024 1.00 0.00 H new ATOM 0 HA ALA A 52 10.026 -3.668 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.577 -2.935 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.410 -1.652 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.191 -2.627 7.066 1.00 0.00 H new ATOM 846 N ARG A 53 9.262 -5.276 6.989 1.00 0.00 N ATOM 847 CA ARG A 53 9.395 -6.609 7.639 1.00 0.00 C ATOM 848 C ARG A 53 8.978 -7.702 6.653 1.00 0.00 C ATOM 849 O ARG A 53 9.423 -8.829 6.736 1.00 0.00 O ATOM 850 CB ARG A 53 8.491 -6.666 8.875 1.00 0.00 C ATOM 851 CG ARG A 53 8.983 -7.767 9.817 1.00 0.00 C ATOM 852 CD ARG A 53 10.058 -7.201 10.745 1.00 0.00 C ATOM 853 NE ARG A 53 9.474 -6.117 11.582 1.00 0.00 N ATOM 854 CZ ARG A 53 10.254 -5.250 12.167 1.00 0.00 C ATOM 855 NH1 ARG A 53 11.548 -5.332 12.018 1.00 0.00 N ATOM 856 NH2 ARG A 53 9.741 -4.301 12.901 1.00 0.00 N ATOM 0 H ARG A 53 8.691 -4.600 7.497 1.00 0.00 H new ATOM 0 HA ARG A 53 10.432 -6.765 7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.497 -5.704 9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.461 -6.861 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.151 -8.158 10.403 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.386 -8.600 9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.456 -7.991 11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.891 -6.813 10.159 1.00 0.00 H new ATOM 0 HE ARG A 53 8.463 -6.052 11.698 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.949 -6.074 11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.158 -4.654 12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.730 -4.237 13.018 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.351 -3.623 13.358 1.00 0.00 H new ATOM 870 N TYR A 54 8.127 -7.376 5.718 1.00 0.00 N ATOM 871 CA TYR A 54 7.674 -8.400 4.735 1.00 0.00 C ATOM 872 C TYR A 54 8.492 -8.271 3.449 1.00 0.00 C ATOM 873 O TYR A 54 9.075 -9.226 2.974 1.00 0.00 O ATOM 874 CB TYR A 54 6.192 -8.186 4.420 1.00 0.00 C ATOM 875 CG TYR A 54 5.692 -9.315 3.553 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.324 -10.534 4.135 1.00 0.00 C ATOM 877 CD2 TYR A 54 5.595 -9.144 2.167 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.860 -11.583 3.332 1.00 0.00 C ATOM 879 CE2 TYR A 54 5.131 -10.192 1.364 1.00 0.00 C ATOM 880 CZ TYR A 54 4.764 -11.412 1.946 1.00 0.00 C ATOM 881 OH TYR A 54 4.307 -12.445 1.154 1.00 0.00 O ATOM 0 H TYR A 54 7.727 -6.446 5.593 1.00 0.00 H new ATOM 0 HA TYR A 54 7.816 -9.395 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.616 -8.141 5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.052 -7.233 3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.398 -10.665 5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.878 -8.204 1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.576 -12.523 3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.056 -10.060 0.295 1.00 0.00 H new ATOM 0 HH TYR A 54 4.301 -12.160 0.216 1.00 0.00 H new ATOM 891 N LEU A 55 8.544 -7.097 2.882 1.00 0.00 N ATOM 892 CA LEU A 55 9.287 -6.918 1.605 1.00 0.00 C ATOM 893 C LEU A 55 10.587 -6.158 1.873 1.00 0.00 C ATOM 894 O LEU A 55 11.399 -5.966 0.989 1.00 0.00 O ATOM 895 CB LEU A 55 8.425 -6.125 0.620 1.00 0.00 C ATOM 896 CG LEU A 55 8.777 -6.534 -0.812 1.00 0.00 C ATOM 897 CD1 LEU A 55 8.000 -7.798 -1.187 1.00 0.00 C ATOM 898 CD2 LEU A 55 8.401 -5.403 -1.772 1.00 0.00 C ATOM 0 H LEU A 55 8.103 -6.254 3.249 1.00 0.00 H new ATOM 0 HA LEU A 55 9.519 -7.894 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.369 -6.311 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.590 -5.056 0.755 1.00 0.00 H new ATOM 0 HG LEU A 55 9.847 -6.730 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.250 -8.090 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.265 -8.604 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.930 -7.601 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.651 -5.693 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.331 -5.208 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.953 -4.501 -1.506 1.00 0.00 H new ATOM 910 N GLY A 56 10.792 -5.722 3.086 1.00 0.00 N ATOM 911 CA GLY A 56 12.037 -4.971 3.408 1.00 0.00 C ATOM 912 C GLY A 56 13.252 -5.868 3.161 1.00 0.00 C ATOM 913 O GLY A 56 14.384 -5.453 3.318 1.00 0.00 O ATOM 0 H GLY A 56 10.150 -5.854 3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.103 -4.074 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.018 -4.644 4.448 1.00 0.00 H new ATOM 917 N GLY A 57 13.029 -7.095 2.778 1.00 0.00 N ATOM 918 CA GLY A 57 14.172 -8.018 2.525 1.00 0.00 C ATOM 919 C GLY A 57 14.453 -8.084 1.023 1.00 0.00 C ATOM 920 O GLY A 57 15.568 -7.891 0.581 1.00 0.00 O ATOM 0 H GLY A 57 12.104 -7.499 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.058 -7.671 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.941 -9.013 2.906 1.00 0.00 H new ATOM 924 N SER A 58 13.449 -8.355 0.234 1.00 0.00 N ATOM 925 CA SER A 58 13.659 -8.431 -1.239 1.00 0.00 C ATOM 926 C SER A 58 13.741 -7.018 -1.817 1.00 0.00 C ATOM 927 O SER A 58 14.092 -6.824 -2.965 1.00 0.00 O ATOM 928 CB SER A 58 12.490 -9.180 -1.883 1.00 0.00 C ATOM 929 OG SER A 58 12.248 -10.381 -1.162 1.00 0.00 O ATOM 0 H SER A 58 12.493 -8.527 0.546 1.00 0.00 H new ATOM 0 HA SER A 58 14.588 -8.961 -1.446 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.597 -8.555 -1.881 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.718 -9.407 -2.924 1.00 0.00 H new ATOM 0 HG SER A 58 11.499 -10.863 -1.571 1.00 0.00 H new ATOM 935 N MET A 59 13.417 -6.027 -1.032 1.00 0.00 N ATOM 936 CA MET A 59 13.476 -4.626 -1.539 1.00 0.00 C ATOM 937 C MET A 59 13.566 -3.659 -0.357 1.00 0.00 C ATOM 938 O MET A 59 13.097 -3.944 0.728 1.00 0.00 O ATOM 939 CB MET A 59 12.212 -4.325 -2.350 1.00 0.00 C ATOM 940 CG MET A 59 12.383 -2.997 -3.089 1.00 0.00 C ATOM 941 SD MET A 59 10.838 -2.569 -3.927 1.00 0.00 S ATOM 942 CE MET A 59 10.846 -3.924 -5.125 1.00 0.00 C ATOM 0 H MET A 59 13.114 -6.126 -0.063 1.00 0.00 H new ATOM 0 HA MET A 59 14.354 -4.505 -2.174 1.00 0.00 H new ATOM 0 HB2 MET A 59 12.025 -5.128 -3.063 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.346 -4.277 -1.689 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.658 -2.210 -2.386 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.193 -3.074 -3.814 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.539 -3.548 -6.101 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.851 -4.341 -5.196 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.153 -4.700 -4.801 1.00 0.00 H new ATOM 952 N ASP A 60 14.164 -2.517 -0.557 1.00 0.00 N ATOM 953 CA ASP A 60 14.282 -1.533 0.556 1.00 0.00 C ATOM 954 C ASP A 60 13.081 -0.586 0.529 1.00 0.00 C ATOM 955 O ASP A 60 12.941 0.229 -0.360 1.00 0.00 O ATOM 956 CB ASP A 60 15.571 -0.726 0.388 1.00 0.00 C ATOM 957 CG ASP A 60 15.715 0.256 1.553 1.00 0.00 C ATOM 958 OD1 ASP A 60 14.732 0.472 2.242 1.00 0.00 O ATOM 959 OD2 ASP A 60 16.803 0.772 1.735 1.00 0.00 O ATOM 0 H ASP A 60 14.576 -2.223 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 60 14.306 -2.063 1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.430 -1.396 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.553 -0.184 -0.558 1.00 0.00 H new ATOM 964 N LEU A 61 12.213 -0.688 1.500 1.00 0.00 N ATOM 965 CA LEU A 61 11.021 0.206 1.528 1.00 0.00 C ATOM 966 C LEU A 61 11.328 1.438 2.383 1.00 0.00 C ATOM 967 O LEU A 61 10.505 2.320 2.537 1.00 0.00 O ATOM 968 CB LEU A 61 9.833 -0.548 2.129 1.00 0.00 C ATOM 969 CG LEU A 61 9.228 -1.472 1.071 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.548 -0.633 -0.013 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.335 -2.318 0.440 1.00 0.00 C ATOM 0 H LEU A 61 12.278 -1.350 2.273 1.00 0.00 H new ATOM 0 HA LEU A 61 10.777 0.519 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.157 -1.129 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.082 0.158 2.483 1.00 0.00 H new ATOM 0 HG LEU A 61 8.492 -2.126 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.117 -1.292 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.759 -0.030 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.283 0.022 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.904 -2.977 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.071 -1.664 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.819 -2.917 1.211 1.00 0.00 H new ATOM 983 N SER A 62 12.505 1.505 2.942 1.00 0.00 N ATOM 984 CA SER A 62 12.866 2.684 3.779 1.00 0.00 C ATOM 985 C SER A 62 12.730 3.962 2.949 1.00 0.00 C ATOM 986 O SER A 62 12.308 4.991 3.438 1.00 0.00 O ATOM 987 CB SER A 62 14.309 2.543 4.263 1.00 0.00 C ATOM 988 OG SER A 62 15.183 2.552 3.142 1.00 0.00 O ATOM 0 H SER A 62 13.232 0.795 2.855 1.00 0.00 H new ATOM 0 HA SER A 62 12.197 2.736 4.638 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.559 3.360 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.428 1.616 4.824 1.00 0.00 H new ATOM 0 HG SER A 62 14.734 2.142 2.374 1.00 0.00 H new ATOM 994 N THR A 63 13.083 3.905 1.693 1.00 0.00 N ATOM 995 CA THR A 63 12.975 5.116 0.834 1.00 0.00 C ATOM 996 C THR A 63 11.610 5.134 0.144 1.00 0.00 C ATOM 997 O THR A 63 11.361 5.926 -0.743 1.00 0.00 O ATOM 998 CB THR A 63 14.081 5.091 -0.226 1.00 0.00 C ATOM 999 OG1 THR A 63 13.857 4.004 -1.114 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.440 4.923 0.456 1.00 0.00 C ATOM 0 H THR A 63 13.441 3.072 1.226 1.00 0.00 H new ATOM 0 HA THR A 63 13.082 6.008 1.451 1.00 0.00 H new ATOM 0 HB THR A 63 14.071 6.027 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.562 3.987 -1.794 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.226 4.905 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.610 5.756 1.138 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.453 3.988 1.016 1.00 0.00 H new ATOM 1008 N PHE A 64 10.721 4.266 0.545 1.00 0.00 N ATOM 1009 CA PHE A 64 9.374 4.233 -0.090 1.00 0.00 C ATOM 1010 C PHE A 64 8.446 5.214 0.630 1.00 0.00 C ATOM 1011 O PHE A 64 8.377 5.242 1.842 1.00 0.00 O ATOM 1012 CB PHE A 64 8.798 2.819 0.013 1.00 0.00 C ATOM 1013 CG PHE A 64 7.384 2.811 -0.520 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.140 3.136 -1.860 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.320 2.479 0.325 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.829 3.129 -2.353 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.010 2.473 -0.168 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.764 2.797 -1.508 1.00 0.00 C ATOM 0 H PHE A 64 10.870 3.579 1.284 1.00 0.00 H new ATOM 0 HA PHE A 64 9.459 4.517 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.415 2.121 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.809 2.485 1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.962 3.392 -2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.509 2.227 1.358 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.640 3.380 -3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.189 2.218 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.753 2.791 -1.889 1.00 0.00 H new ATOM 1028 N ASP A 65 7.734 6.020 -0.108 1.00 0.00 N ATOM 1029 CA ASP A 65 6.814 7.001 0.534 1.00 0.00 C ATOM 1030 C ASP A 65 5.469 6.330 0.820 1.00 0.00 C ATOM 1031 O ASP A 65 4.722 6.007 -0.081 1.00 0.00 O ATOM 1032 CB ASP A 65 6.601 8.192 -0.404 1.00 0.00 C ATOM 1033 CG ASP A 65 5.859 9.303 0.340 1.00 0.00 C ATOM 1034 OD1 ASP A 65 5.291 9.014 1.380 1.00 0.00 O ATOM 1035 OD2 ASP A 65 5.872 10.423 -0.143 1.00 0.00 O ATOM 0 H ASP A 65 7.749 6.042 -1.128 1.00 0.00 H new ATOM 0 HA ASP A 65 7.252 7.349 1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.561 8.560 -0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.030 7.882 -1.279 1.00 0.00 H new ATOM 1040 N PHE A 66 5.157 6.115 2.068 1.00 0.00 N ATOM 1041 CA PHE A 66 3.867 5.453 2.411 1.00 0.00 C ATOM 1042 C PHE A 66 2.724 6.462 2.277 1.00 0.00 C ATOM 1043 O PHE A 66 1.660 6.148 1.780 1.00 0.00 O ATOM 1044 CB PHE A 66 3.924 4.935 3.849 1.00 0.00 C ATOM 1045 CG PHE A 66 2.655 4.180 4.162 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.484 2.872 3.690 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.650 4.784 4.927 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.309 2.170 3.982 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.475 4.082 5.219 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.304 2.776 4.746 1.00 0.00 C ATOM 0 H PHE A 66 5.740 6.369 2.866 1.00 0.00 H new ATOM 0 HA PHE A 66 3.696 4.618 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.789 4.284 3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.045 5.767 4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.259 2.405 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.781 5.792 5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.177 1.162 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.300 4.548 5.809 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.604 2.235 4.970 1.00 0.00 H new ATOM 1060 N ARG A 67 2.935 7.672 2.717 1.00 0.00 N ATOM 1061 CA ARG A 67 1.854 8.694 2.631 1.00 0.00 C ATOM 1062 C ARG A 67 1.513 8.955 1.161 1.00 0.00 C ATOM 1063 O ARG A 67 0.360 9.063 0.793 1.00 0.00 O ATOM 1064 CB ARG A 67 2.331 9.995 3.281 1.00 0.00 C ATOM 1065 CG ARG A 67 1.176 11.000 3.320 1.00 0.00 C ATOM 1066 CD ARG A 67 0.298 10.720 4.542 1.00 0.00 C ATOM 1067 NE ARG A 67 1.139 10.746 5.773 1.00 0.00 N ATOM 1068 CZ ARG A 67 0.747 10.111 6.843 1.00 0.00 C ATOM 1069 NH1 ARG A 67 -0.380 9.451 6.835 1.00 0.00 N ATOM 1070 NH2 ARG A 67 1.483 10.132 7.921 1.00 0.00 N ATOM 0 H ARG A 67 3.808 7.997 3.132 1.00 0.00 H new ATOM 0 HA ARG A 67 0.968 8.330 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.691 9.799 4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.168 10.409 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.566 12.017 3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.584 10.925 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.494 11.466 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.187 9.749 4.440 1.00 0.00 H new ATOM 0 HE ARG A 67 2.020 11.260 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.954 9.432 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.686 8.955 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.365 10.645 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.176 9.635 8.758 1.00 0.00 H new ATOM 1084 N THR A 68 2.505 9.056 0.320 1.00 0.00 N ATOM 1085 CA THR A 68 2.235 9.320 -1.121 1.00 0.00 C ATOM 1086 C THR A 68 2.231 7.997 -1.890 1.00 0.00 C ATOM 1087 O THR A 68 1.797 7.928 -3.023 1.00 0.00 O ATOM 1088 CB THR A 68 3.325 10.234 -1.686 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.540 9.504 -1.800 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.530 11.425 -0.750 1.00 0.00 C ATOM 0 H THR A 68 3.490 8.967 0.568 1.00 0.00 H new ATOM 0 HA THR A 68 1.264 9.805 -1.225 1.00 0.00 H new ATOM 0 HB THR A 68 3.024 10.595 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.298 10.102 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.306 12.075 -1.153 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.598 11.984 -0.663 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.832 11.067 0.234 1.00 0.00 H new ATOM 1098 N GLY A 69 2.708 6.945 -1.283 1.00 0.00 N ATOM 1099 CA GLY A 69 2.726 5.626 -1.977 1.00 0.00 C ATOM 1100 C GLY A 69 3.620 5.715 -3.215 1.00 0.00 C ATOM 1101 O GLY A 69 3.291 5.201 -4.268 1.00 0.00 O ATOM 0 H GLY A 69 3.086 6.942 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.095 4.853 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.714 5.341 -2.265 1.00 0.00 H new ATOM 1105 N LYS A 70 4.748 6.361 -3.101 1.00 0.00 N ATOM 1106 CA LYS A 70 5.657 6.486 -4.275 1.00 0.00 C ATOM 1107 C LYS A 70 7.093 6.186 -3.841 1.00 0.00 C ATOM 1108 O LYS A 70 7.483 6.457 -2.721 1.00 0.00 O ATOM 1109 CB LYS A 70 5.580 7.910 -4.831 1.00 0.00 C ATOM 1110 CG LYS A 70 4.206 8.136 -5.464 1.00 0.00 C ATOM 1111 CD LYS A 70 4.132 9.556 -6.029 1.00 0.00 C ATOM 1112 CE LYS A 70 2.764 9.777 -6.678 1.00 0.00 C ATOM 1113 NZ LYS A 70 2.690 11.162 -7.224 1.00 0.00 N ATOM 0 H LYS A 70 5.079 6.807 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 70 5.354 5.778 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.748 8.633 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.364 8.065 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.035 7.408 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.423 7.988 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.291 10.284 -5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.923 9.708 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.607 9.051 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.973 9.621 -5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.760 11.312 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.822 11.847 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.436 11.295 -7.936 1.00 0.00 H new ATOM 1127 N MET A 71 7.884 5.627 -4.716 1.00 0.00 N ATOM 1128 CA MET A 71 9.293 5.308 -4.352 1.00 0.00 C ATOM 1129 C MET A 71 10.190 6.502 -4.682 1.00 0.00 C ATOM 1130 O MET A 71 10.212 6.983 -5.797 1.00 0.00 O ATOM 1131 CB MET A 71 9.759 4.085 -5.142 1.00 0.00 C ATOM 1132 CG MET A 71 11.145 3.659 -4.655 1.00 0.00 C ATOM 1133 SD MET A 71 11.573 2.055 -5.380 1.00 0.00 S ATOM 1134 CE MET A 71 10.968 1.024 -4.020 1.00 0.00 C ATOM 0 H MET A 71 7.615 5.377 -5.668 1.00 0.00 H new ATOM 0 HA MET A 71 9.352 5.095 -3.285 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.050 3.266 -5.016 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.792 4.318 -6.206 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.887 4.407 -4.936 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.156 3.593 -3.567 1.00 0.00 H new ATOM 0 HE1 MET A 71 11.815 0.614 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 71 10.358 1.628 -3.349 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.367 0.208 -4.421 1.00 0.00 H new ATOM 1144 N LEU A 72 10.929 6.986 -3.722 1.00 0.00 N ATOM 1145 CA LEU A 72 11.826 8.146 -3.983 1.00 0.00 C ATOM 1146 C LEU A 72 12.876 8.240 -2.874 1.00 0.00 C ATOM 1147 CB LEU A 72 10.999 9.433 -4.012 1.00 0.00 C ATOM 1148 CG LEU A 72 10.577 9.802 -2.588 1.00 0.00 C ATOM 1149 CD1 LEU A 72 11.547 10.842 -2.023 1.00 0.00 C ATOM 1150 CD2 LEU A 72 9.163 10.385 -2.611 1.00 0.00 C ATOM 0 H LEU A 72 10.950 6.628 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 72 12.324 8.011 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.582 10.243 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.118 9.298 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 72 10.593 8.910 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.247 11.106 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.555 10.428 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.530 11.734 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.861 10.648 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.147 11.277 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.471 9.646 -3.015 1.00 0.00 H new