USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 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 59 MET CE :methyl -116:sc= -0.184 (180deg=-0.536) USER MOD Set 1.2: A 71 MET CE :methyl 170:sc= -0.0748 (180deg=-0.155) USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= -0.0988 (180deg=-0.571) USER MOD Single : A 10 CYS SG : rot -150:sc= 0.312! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 37 TYR OH : rot 15:sc= -2.66! USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.623 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+ 153:sc= -0.0781 (180deg=-0.627) USER MOD Single : A 47 SER OG : rot 160:sc= -0.0358 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.2!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 160:sc= -0.687 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.6! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.043 5.996 -3.202 1.00 0.00 N ATOM 54 CA ARG A 5 -11.903 5.042 -3.088 1.00 0.00 C ATOM 55 C ARG A 5 -11.072 5.087 -4.371 1.00 0.00 C ATOM 56 O ARG A 5 -11.508 4.658 -5.420 1.00 0.00 O ATOM 57 CB ARG A 5 -12.443 3.626 -2.878 1.00 0.00 C ATOM 58 CG ARG A 5 -13.138 3.539 -1.519 1.00 0.00 C ATOM 59 CD ARG A 5 -13.764 2.153 -1.352 1.00 0.00 C ATOM 60 NE ARG A 5 -12.690 1.121 -1.358 1.00 0.00 N ATOM 61 CZ ARG A 5 -13.003 -0.147 -1.331 1.00 0.00 C ATOM 62 NH1 ARG A 5 -14.257 -0.508 -1.299 1.00 0.00 N ATOM 63 NH2 ARG A 5 -12.064 -1.051 -1.336 1.00 0.00 N ATOM 0 HA ARG A 5 -11.277 5.321 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.144 3.371 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.628 2.904 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.421 3.724 -0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.906 4.308 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.324 2.105 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.472 1.962 -2.159 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.710 1.404 -1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.992 0.200 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.502 -1.498 -1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.084 -0.768 -1.361 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.309 -2.041 -1.315 1.00 0.00 H new ATOM 77 N LYS A 6 -9.875 5.604 -4.296 1.00 0.00 N ATOM 78 CA LYS A 6 -9.017 5.677 -5.511 1.00 0.00 C ATOM 79 C LYS A 6 -7.862 4.682 -5.381 1.00 0.00 C ATOM 80 O LYS A 6 -6.886 4.934 -4.705 1.00 0.00 O ATOM 81 CB LYS A 6 -8.456 7.093 -5.655 1.00 0.00 C ATOM 82 CG LYS A 6 -9.555 8.112 -5.347 1.00 0.00 C ATOM 83 CD LYS A 6 -10.748 7.873 -6.275 1.00 0.00 C ATOM 84 CE LYS A 6 -11.669 9.095 -6.246 1.00 0.00 C ATOM 85 NZ LYS A 6 -10.993 10.243 -6.912 1.00 0.00 N ATOM 0 H LYS A 6 -9.455 5.979 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.612 5.430 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.615 7.233 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.078 7.245 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.867 8.023 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.174 9.125 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.401 7.690 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.295 6.984 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.607 8.868 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.916 9.353 -5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.709 10.898 -7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.395 10.742 -6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.402 9.893 -7.693 1.00 0.00 H new ATOM 99 N ARG A 7 -7.966 3.551 -6.024 1.00 0.00 N ATOM 100 CA ARG A 7 -6.877 2.538 -5.932 1.00 0.00 C ATOM 101 C ARG A 7 -5.973 2.651 -7.161 1.00 0.00 C ATOM 102 O ARG A 7 -6.405 2.468 -8.281 1.00 0.00 O ATOM 103 CB ARG A 7 -7.487 1.136 -5.875 1.00 0.00 C ATOM 104 CG ARG A 7 -6.373 0.102 -5.697 1.00 0.00 C ATOM 105 CD ARG A 7 -6.966 -1.307 -5.780 1.00 0.00 C ATOM 106 NE ARG A 7 -7.916 -1.512 -4.652 1.00 0.00 N ATOM 107 CZ ARG A 7 -8.933 -2.319 -4.793 1.00 0.00 C ATOM 108 NH1 ARG A 7 -9.114 -2.947 -5.923 1.00 0.00 N ATOM 109 NH2 ARG A 7 -9.766 -2.500 -3.805 1.00 0.00 N ATOM 0 H ARG A 7 -8.758 3.285 -6.609 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.290 2.715 -5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.195 1.069 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.044 0.933 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.613 0.234 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.880 0.245 -4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.480 -1.441 -6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.170 -2.051 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.772 -1.022 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.462 -2.807 -6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.908 -3.578 -6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.623 -2.011 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.560 -3.131 -3.916 1.00 0.00 H new ATOM 123 N TRP A 8 -4.719 2.952 -6.960 1.00 0.00 N ATOM 124 CA TRP A 8 -3.784 3.061 -8.116 1.00 0.00 C ATOM 125 C TRP A 8 -2.502 2.284 -7.811 1.00 0.00 C ATOM 126 O TRP A 8 -2.116 2.129 -6.669 1.00 0.00 O ATOM 127 CB TRP A 8 -3.443 4.533 -8.359 1.00 0.00 C ATOM 128 CG TRP A 8 -3.711 5.317 -7.115 1.00 0.00 C ATOM 129 CD1 TRP A 8 -3.246 5.002 -5.883 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.492 6.537 -6.958 1.00 0.00 C ATOM 131 NE1 TRP A 8 -3.694 5.952 -4.981 1.00 0.00 N ATOM 132 CE2 TRP A 8 -4.464 6.918 -5.596 1.00 0.00 C ATOM 133 CE3 TRP A 8 -5.213 7.342 -7.857 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -5.131 8.057 -5.142 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -5.886 8.490 -7.403 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.844 8.846 -6.047 1.00 0.00 C ATOM 0 H TRP A 8 -4.302 3.127 -6.046 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.257 2.646 -9.006 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.396 4.633 -8.646 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.038 4.924 -9.184 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -2.627 4.150 -5.643 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -3.481 5.939 -3.984 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.250 7.077 -8.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.096 8.327 -4.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -6.438 9.101 -8.102 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.362 9.729 -5.703 1.00 0.00 H new ATOM 147 N GLU A 9 -1.839 1.795 -8.823 1.00 0.00 N ATOM 148 CA GLU A 9 -0.581 1.030 -8.589 1.00 0.00 C ATOM 149 C GLU A 9 0.613 1.988 -8.624 1.00 0.00 C ATOM 150 O GLU A 9 0.658 2.908 -9.415 1.00 0.00 O ATOM 151 CB GLU A 9 -0.417 -0.029 -9.681 1.00 0.00 C ATOM 152 CG GLU A 9 0.785 -0.916 -9.356 1.00 0.00 C ATOM 153 CD GLU A 9 0.933 -1.991 -10.435 1.00 0.00 C ATOM 154 OE1 GLU A 9 -0.016 -2.197 -11.173 1.00 0.00 O ATOM 155 OE2 GLU A 9 1.994 -2.590 -10.505 1.00 0.00 O ATOM 0 H GLU A 9 -2.113 1.892 -9.801 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.628 0.543 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.320 -0.635 -9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.277 0.451 -10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.691 -0.313 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.653 -1.382 -8.379 1.00 0.00 H new ATOM 162 N CYS A 10 1.580 1.776 -7.774 1.00 0.00 N ATOM 163 CA CYS A 10 2.770 2.672 -7.762 1.00 0.00 C ATOM 164 C CYS A 10 3.978 1.923 -8.331 1.00 0.00 C ATOM 165 O CYS A 10 4.006 0.709 -8.365 1.00 0.00 O ATOM 166 CB CYS A 10 3.069 3.104 -6.325 1.00 0.00 C ATOM 167 SG CYS A 10 2.491 4.801 -6.074 1.00 0.00 S ATOM 0 H CYS A 10 1.597 1.021 -7.088 1.00 0.00 H new ATOM 0 HA CYS A 10 2.568 3.553 -8.372 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.576 2.433 -5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.139 3.040 -6.130 1.00 0.00 H new ATOM 0 HG CYS A 10 3.242 5.389 -5.191 1.00 0.00 H new ATOM 173 N PRO A 11 4.968 2.649 -8.772 1.00 0.00 N ATOM 174 CA PRO A 11 6.209 2.059 -9.349 1.00 0.00 C ATOM 175 C PRO A 11 7.007 1.262 -8.314 1.00 0.00 C ATOM 176 O PRO A 11 7.816 0.422 -8.651 1.00 0.00 O ATOM 177 CB PRO A 11 7.008 3.277 -9.817 1.00 0.00 C ATOM 178 CG PRO A 11 6.477 4.428 -9.029 1.00 0.00 C ATOM 179 CD PRO A 11 5.008 4.120 -8.769 1.00 0.00 C ATOM 0 HA PRO A 11 5.987 1.351 -10.148 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.075 3.139 -9.640 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.881 3.442 -10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.023 4.544 -8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.588 5.362 -9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.673 4.530 -7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.365 4.542 -9.541 1.00 0.00 H new ATOM 187 N ALA A 12 6.784 1.518 -7.053 1.00 0.00 N ATOM 188 CA ALA A 12 7.525 0.771 -5.998 1.00 0.00 C ATOM 189 C ALA A 12 6.703 -0.441 -5.559 1.00 0.00 C ATOM 190 O ALA A 12 7.146 -1.252 -4.768 1.00 0.00 O ATOM 191 CB ALA A 12 7.764 1.687 -4.795 1.00 0.00 C ATOM 0 H ALA A 12 6.121 2.212 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 12 8.483 0.436 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.306 1.140 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.350 2.552 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.806 2.022 -4.397 1.00 0.00 H new ATOM 197 N LEU A 13 5.507 -0.574 -6.065 1.00 0.00 N ATOM 198 CA LEU A 13 4.658 -1.736 -5.675 1.00 0.00 C ATOM 199 C LEU A 13 4.745 -2.816 -6.755 1.00 0.00 C ATOM 200 O LEU A 13 4.297 -2.630 -7.870 1.00 0.00 O ATOM 201 CB LEU A 13 3.204 -1.279 -5.529 1.00 0.00 C ATOM 202 CG LEU A 13 2.932 -0.901 -4.072 1.00 0.00 C ATOM 203 CD1 LEU A 13 3.883 0.218 -3.647 1.00 0.00 C ATOM 204 CD2 LEU A 13 1.487 -0.419 -3.934 1.00 0.00 C ATOM 0 H LEU A 13 5.081 0.071 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 13 5.010 -2.141 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.013 -0.425 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.528 -2.075 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 13 3.090 -1.772 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.688 0.486 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.914 -0.123 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.726 1.090 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.291 -0.149 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.331 0.452 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.807 -1.216 -4.236 1.00 0.00 H new ATOM 216 N PRO A 14 5.323 -3.938 -6.421 1.00 0.00 N ATOM 217 CA PRO A 14 5.480 -5.078 -7.369 1.00 0.00 C ATOM 218 C PRO A 14 4.161 -5.449 -8.054 1.00 0.00 C ATOM 219 O PRO A 14 3.090 -5.187 -7.541 1.00 0.00 O ATOM 220 CB PRO A 14 5.961 -6.228 -6.481 1.00 0.00 C ATOM 221 CG PRO A 14 6.579 -5.578 -5.287 1.00 0.00 C ATOM 222 CD PRO A 14 5.888 -4.240 -5.098 1.00 0.00 C ATOM 0 HA PRO A 14 6.167 -4.837 -8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.132 -6.873 -6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.684 -6.853 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.457 -6.203 -4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.650 -5.441 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.111 -4.297 -4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.591 -3.470 -4.779 1.00 0.00 H new ATOM 230 N GLN A 15 4.230 -6.052 -9.208 1.00 0.00 N ATOM 231 CA GLN A 15 2.981 -6.441 -9.921 1.00 0.00 C ATOM 232 C GLN A 15 2.058 -7.197 -8.961 1.00 0.00 C ATOM 233 O GLN A 15 2.305 -8.335 -8.617 1.00 0.00 O ATOM 234 CB GLN A 15 3.330 -7.342 -11.107 1.00 0.00 C ATOM 235 CG GLN A 15 4.136 -6.545 -12.135 1.00 0.00 C ATOM 236 CD GLN A 15 4.577 -7.472 -13.268 1.00 0.00 C ATOM 237 OE1 GLN A 15 5.367 -8.373 -13.059 1.00 0.00 O ATOM 238 NE2 GLN A 15 4.100 -7.290 -14.469 1.00 0.00 N ATOM 0 H GLN A 15 5.097 -6.292 -9.688 1.00 0.00 H new ATOM 0 HA GLN A 15 2.475 -5.545 -10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.906 -8.203 -10.766 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.419 -7.728 -11.564 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.532 -5.729 -12.533 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.007 -6.095 -11.660 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.437 -6.535 -14.646 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.390 -7.903 -15.231 1.00 0.00 H new ATOM 247 N GLY A 16 0.999 -6.570 -8.527 1.00 0.00 N ATOM 248 CA GLY A 16 0.053 -7.260 -7.605 1.00 0.00 C ATOM 249 C GLY A 16 -0.148 -6.413 -6.347 1.00 0.00 C ATOM 250 O GLY A 16 -1.159 -6.503 -5.681 1.00 0.00 O ATOM 0 H GLY A 16 0.748 -5.612 -8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.903 -7.422 -8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.443 -8.242 -7.336 1.00 0.00 H new ATOM 254 N TRP A 17 0.810 -5.589 -6.018 1.00 0.00 N ATOM 255 CA TRP A 17 0.657 -4.711 -4.823 1.00 0.00 C ATOM 256 C TRP A 17 0.076 -3.363 -5.252 1.00 0.00 C ATOM 257 O TRP A 17 0.436 -2.818 -6.277 1.00 0.00 O ATOM 258 CB TRP A 17 2.025 -4.494 -4.173 1.00 0.00 C ATOM 259 CG TRP A 17 2.530 -5.792 -3.630 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.943 -6.839 -4.378 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.681 -6.197 -2.238 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.338 -7.862 -3.536 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.195 -7.515 -2.208 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.423 -5.556 -1.013 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.447 -8.173 -1.003 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.676 -6.216 0.200 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.186 -7.522 0.206 1.00 0.00 C ATOM 0 H TRP A 17 1.690 -5.486 -6.524 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.015 -5.184 -4.107 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.728 -4.095 -4.904 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.947 -3.758 -3.372 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.961 -6.871 -5.457 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.692 -8.763 -3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 17 2.028 -4.551 -1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.841 -9.179 -1.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.476 -5.714 1.135 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.377 -8.024 1.143 1.00 0.00 H new ATOM 278 N GLU A 18 -0.823 -2.820 -4.477 1.00 0.00 N ATOM 279 CA GLU A 18 -1.448 -1.521 -4.857 1.00 0.00 C ATOM 280 C GLU A 18 -1.873 -0.770 -3.594 1.00 0.00 C ATOM 281 O GLU A 18 -1.920 -1.327 -2.515 1.00 0.00 O ATOM 282 CB GLU A 18 -2.677 -1.783 -5.732 1.00 0.00 C ATOM 283 CG GLU A 18 -2.229 -2.300 -7.100 1.00 0.00 C ATOM 284 CD GLU A 18 -3.454 -2.510 -7.992 1.00 0.00 C ATOM 285 OE1 GLU A 18 -4.555 -2.293 -7.514 1.00 0.00 O ATOM 286 OE2 GLU A 18 -3.270 -2.883 -9.139 1.00 0.00 O ATOM 0 H GLU A 18 -1.152 -3.219 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.727 -0.920 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.330 -2.512 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.255 -0.866 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.546 -1.588 -7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.684 -3.237 -6.986 1.00 0.00 H new ATOM 293 N ARG A 19 -2.182 0.491 -3.719 1.00 0.00 N ATOM 294 CA ARG A 19 -2.628 1.271 -2.528 1.00 0.00 C ATOM 295 C ARG A 19 -3.756 2.220 -2.936 1.00 0.00 C ATOM 296 O ARG A 19 -3.780 2.736 -4.036 1.00 0.00 O ATOM 297 CB ARG A 19 -1.451 2.083 -1.981 1.00 0.00 C ATOM 298 CG ARG A 19 -0.837 2.916 -3.107 1.00 0.00 C ATOM 299 CD ARG A 19 0.060 4.001 -2.508 1.00 0.00 C ATOM 300 NE ARG A 19 -0.784 5.112 -1.988 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.277 5.984 -1.159 1.00 0.00 C ATOM 302 NH1 ARG A 19 0.971 5.883 -0.787 1.00 0.00 N ATOM 303 NH2 ARG A 19 -1.015 6.957 -0.702 1.00 0.00 N ATOM 0 H ARG A 19 -2.145 1.016 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.987 0.588 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.789 2.735 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.701 1.415 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.257 2.276 -3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.624 3.371 -3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.666 3.584 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.749 4.377 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.758 5.192 -2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.550 5.123 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.367 6.564 -0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.990 7.038 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.618 7.638 -0.054 1.00 0.00 H new ATOM 317 N GLU A 20 -4.693 2.455 -2.057 1.00 0.00 N ATOM 318 CA GLU A 20 -5.829 3.356 -2.404 1.00 0.00 C ATOM 319 C GLU A 20 -6.053 4.355 -1.267 1.00 0.00 C ATOM 320 O GLU A 20 -5.867 4.043 -0.107 1.00 0.00 O ATOM 321 CB GLU A 20 -7.096 2.523 -2.609 1.00 0.00 C ATOM 322 CG GLU A 20 -7.684 2.143 -1.248 1.00 0.00 C ATOM 323 CD GLU A 20 -8.771 1.084 -1.438 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.603 0.240 -2.302 1.00 0.00 O ATOM 325 OE2 GLU A 20 -9.753 1.135 -0.717 1.00 0.00 O ATOM 0 H GLU A 20 -4.721 2.063 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.597 3.897 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.826 3.089 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.864 1.624 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.899 1.761 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.102 3.025 -0.762 1.00 0.00 H new ATOM 332 N GLU A 21 -6.454 5.554 -1.590 1.00 0.00 N ATOM 333 CA GLU A 21 -6.718 6.563 -0.526 1.00 0.00 C ATOM 334 C GLU A 21 -8.222 6.644 -0.263 1.00 0.00 C ATOM 335 O GLU A 21 -9.023 6.654 -1.178 1.00 0.00 O ATOM 336 CB GLU A 21 -6.206 7.931 -0.983 1.00 0.00 C ATOM 337 CG GLU A 21 -6.362 8.942 0.154 1.00 0.00 C ATOM 338 CD GLU A 21 -5.779 10.289 -0.277 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.552 10.464 -1.463 1.00 0.00 O ATOM 340 OE2 GLU A 21 -5.569 11.126 0.587 1.00 0.00 O ATOM 0 H GLU A 21 -6.610 5.878 -2.544 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.204 6.269 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.159 7.859 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.762 8.265 -1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.415 9.055 0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.852 8.582 1.047 1.00 0.00 H new ATOM 347 N VAL A 22 -8.616 6.699 0.980 1.00 0.00 N ATOM 348 CA VAL A 22 -10.071 6.753 1.298 1.00 0.00 C ATOM 349 C VAL A 22 -10.322 7.812 2.375 1.00 0.00 C ATOM 350 O VAL A 22 -9.627 7.873 3.369 1.00 0.00 O ATOM 351 CB VAL A 22 -10.533 5.387 1.810 1.00 0.00 C ATOM 352 CG1 VAL A 22 -12.049 5.265 1.646 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.843 4.284 1.005 1.00 0.00 C ATOM 0 H VAL A 22 -7.994 6.709 1.788 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.628 7.012 0.398 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.274 5.287 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.377 4.292 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.541 6.052 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.310 5.364 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.170 3.310 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.104 4.385 -0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.763 4.370 1.121 1.00 0.00 H new ATOM 363 N PRO A 23 -11.314 8.634 2.172 1.00 0.00 N ATOM 364 CA PRO A 23 -11.700 9.691 3.149 1.00 0.00 C ATOM 365 C PRO A 23 -11.856 9.135 4.568 1.00 0.00 C ATOM 366 O PRO A 23 -12.191 7.984 4.761 1.00 0.00 O ATOM 367 CB PRO A 23 -13.044 10.195 2.623 1.00 0.00 C ATOM 368 CG PRO A 23 -13.041 9.881 1.163 1.00 0.00 C ATOM 369 CD PRO A 23 -12.176 8.648 0.979 1.00 0.00 C ATOM 0 HA PRO A 23 -10.942 10.471 3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.874 9.702 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.157 11.266 2.794 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.054 9.699 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.646 10.719 0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.780 7.743 0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.588 8.706 0.063 1.00 0.00 H new ATOM 377 N ARG A 24 -11.614 9.944 5.562 1.00 0.00 N ATOM 378 CA ARG A 24 -11.741 9.459 6.967 1.00 0.00 C ATOM 379 C ARG A 24 -13.158 8.926 7.196 1.00 0.00 C ATOM 380 O ARG A 24 -14.048 9.654 7.587 1.00 0.00 O ATOM 381 CB ARG A 24 -11.465 10.612 7.932 1.00 0.00 C ATOM 382 CG ARG A 24 -12.290 11.831 7.519 1.00 0.00 C ATOM 383 CD ARG A 24 -13.203 12.248 8.673 1.00 0.00 C ATOM 384 NE ARG A 24 -14.182 13.262 8.192 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.800 14.494 7.990 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.560 14.836 8.207 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.658 15.381 7.568 1.00 0.00 N ATOM 0 H ARG A 24 -11.334 10.920 5.463 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.020 8.660 7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.718 10.316 8.950 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.403 10.859 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.630 12.655 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.886 11.597 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.729 11.378 9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.610 12.659 9.490 1.00 0.00 H new ATOM 0 HE ARG A 24 -15.151 12.994 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.889 14.141 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.261 15.798 8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.627 15.112 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.360 16.344 7.410 1.00 0.00 H new ATOM 490 N HIS A 32 -8.772 13.240 8.452 1.00 0.00 N ATOM 491 CA HIS A 32 -7.932 13.394 7.230 1.00 0.00 C ATOM 492 C HIS A 32 -8.255 12.271 6.244 1.00 0.00 C ATOM 493 O HIS A 32 -9.378 11.817 6.149 1.00 0.00 O ATOM 494 CB HIS A 32 -6.453 13.327 7.615 1.00 0.00 C ATOM 495 CG HIS A 32 -6.164 14.350 8.677 1.00 0.00 C ATOM 496 ND1 HIS A 32 -6.148 14.030 10.028 1.00 0.00 N ATOM 497 CD2 HIS A 32 -5.877 15.692 8.607 1.00 0.00 C ATOM 498 CE1 HIS A 32 -5.862 15.156 10.709 1.00 0.00 C ATOM 499 NE2 HIS A 32 -5.688 16.194 9.889 1.00 0.00 N ATOM 0 HA HIS A 32 -8.142 14.357 6.764 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.206 12.330 7.979 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.830 13.510 6.740 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.809 16.268 7.696 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.783 15.212 11.785 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.463 17.154 10.149 1.00 0.00 H new ATOM 508 N ARG A 33 -7.278 11.815 5.508 1.00 0.00 N ATOM 509 CA ARG A 33 -7.527 10.715 4.536 1.00 0.00 C ATOM 510 C ARG A 33 -6.707 9.487 4.934 1.00 0.00 C ATOM 511 O ARG A 33 -5.539 9.586 5.256 1.00 0.00 O ATOM 512 CB ARG A 33 -7.118 11.169 3.134 1.00 0.00 C ATOM 513 CG ARG A 33 -8.026 12.316 2.682 1.00 0.00 C ATOM 514 CD ARG A 33 -7.611 12.776 1.283 1.00 0.00 C ATOM 515 NE ARG A 33 -8.440 13.946 0.879 1.00 0.00 N ATOM 516 CZ ARG A 33 -8.383 14.393 -0.345 1.00 0.00 C ATOM 517 NH1 ARG A 33 -7.601 13.815 -1.216 1.00 0.00 N ATOM 518 NH2 ARG A 33 -9.110 15.418 -0.700 1.00 0.00 N ATOM 0 H ARG A 33 -6.318 12.158 5.539 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.587 10.461 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.077 11.494 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.191 10.336 2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.066 11.989 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.957 13.147 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.555 13.045 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.738 11.963 0.568 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.052 14.397 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.034 13.013 -0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.557 14.165 -2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.722 15.869 -0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.066 15.768 -1.657 1.00 0.00 H new ATOM 532 N ASP A 34 -7.307 8.328 4.914 1.00 0.00 N ATOM 533 CA ASP A 34 -6.561 7.096 5.294 1.00 0.00 C ATOM 534 C ASP A 34 -6.186 6.317 4.032 1.00 0.00 C ATOM 535 O ASP A 34 -6.956 6.225 3.096 1.00 0.00 O ATOM 536 CB ASP A 34 -7.443 6.222 6.190 1.00 0.00 C ATOM 537 CG ASP A 34 -6.570 5.211 6.934 1.00 0.00 C ATOM 538 OD1 ASP A 34 -6.030 5.570 7.967 1.00 0.00 O ATOM 539 OD2 ASP A 34 -6.456 4.092 6.459 1.00 0.00 O ATOM 0 H ASP A 34 -8.282 8.182 4.651 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.655 7.372 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.985 6.844 6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.188 5.702 5.589 1.00 0.00 H new ATOM 544 N VAL A 35 -5.009 5.755 3.998 1.00 0.00 N ATOM 545 CA VAL A 35 -4.585 4.984 2.797 1.00 0.00 C ATOM 546 C VAL A 35 -4.297 3.536 3.196 1.00 0.00 C ATOM 547 O VAL A 35 -3.608 3.274 4.161 1.00 0.00 O ATOM 548 CB VAL A 35 -3.321 5.612 2.206 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.865 4.799 0.993 1.00 0.00 C ATOM 550 CG2 VAL A 35 -3.623 7.048 1.771 1.00 0.00 C ATOM 0 H VAL A 35 -4.322 5.797 4.751 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.382 5.004 2.053 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.532 5.616 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.965 5.247 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.651 3.775 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.654 4.795 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.724 7.497 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.412 7.042 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.949 7.629 2.634 1.00 0.00 H new ATOM 560 N PHE A 36 -4.819 2.592 2.461 1.00 0.00 N ATOM 561 CA PHE A 36 -4.580 1.162 2.804 1.00 0.00 C ATOM 562 C PHE A 36 -3.795 0.490 1.677 1.00 0.00 C ATOM 563 O PHE A 36 -3.894 0.870 0.527 1.00 0.00 O ATOM 564 CB PHE A 36 -5.923 0.450 2.987 1.00 0.00 C ATOM 565 CG PHE A 36 -6.610 0.983 4.221 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.379 0.381 5.465 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.479 2.075 4.123 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.017 0.874 6.610 1.00 0.00 C ATOM 569 CE2 PHE A 36 -8.117 2.568 5.267 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.886 1.967 6.511 1.00 0.00 C ATOM 0 H PHE A 36 -5.401 2.750 1.638 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.008 1.102 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.552 0.607 2.111 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.767 -0.625 3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.709 -0.463 5.541 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.658 2.538 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.839 0.411 7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.787 3.411 5.191 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.378 2.347 7.394 1.00 0.00 H new ATOM 580 N TYR A 37 -3.015 -0.505 1.996 1.00 0.00 N ATOM 581 CA TYR A 37 -2.228 -1.205 0.941 1.00 0.00 C ATOM 582 C TYR A 37 -2.751 -2.632 0.778 1.00 0.00 C ATOM 583 O TYR A 37 -3.195 -3.253 1.724 1.00 0.00 O ATOM 584 CB TYR A 37 -0.754 -1.242 1.346 1.00 0.00 C ATOM 585 CG TYR A 37 -0.125 0.106 1.083 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.496 1.213 1.854 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.829 0.247 0.069 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.085 2.463 1.611 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.411 1.498 -0.176 1.00 0.00 C ATOM 590 CZ TYR A 37 1.039 2.605 0.595 1.00 0.00 C ATOM 591 OH TYR A 37 1.614 3.836 0.355 1.00 0.00 O ATOM 0 H TYR A 37 -2.888 -0.864 2.942 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.331 -0.672 -0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.662 -1.498 2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.231 -2.015 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.231 1.103 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.117 -0.608 -0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.202 3.317 2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.146 1.608 -0.959 1.00 0.00 H new ATOM 0 HH TYR A 37 1.436 4.433 1.112 1.00 0.00 H new ATOM 601 N TYR A 38 -2.702 -3.160 -0.415 1.00 0.00 N ATOM 602 CA TYR A 38 -3.207 -4.543 -0.639 1.00 0.00 C ATOM 603 C TYR A 38 -2.120 -5.382 -1.314 1.00 0.00 C ATOM 604 O TYR A 38 -1.424 -4.920 -2.197 1.00 0.00 O ATOM 605 CB TYR A 38 -4.445 -4.493 -1.539 1.00 0.00 C ATOM 606 CG TYR A 38 -5.479 -3.584 -0.921 1.00 0.00 C ATOM 607 CD1 TYR A 38 -6.280 -4.047 0.130 1.00 0.00 C ATOM 608 CD2 TYR A 38 -5.638 -2.277 -1.397 1.00 0.00 C ATOM 609 CE1 TYR A 38 -7.239 -3.205 0.704 1.00 0.00 C ATOM 610 CE2 TYR A 38 -6.597 -1.434 -0.823 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.398 -1.897 0.227 1.00 0.00 C ATOM 612 OH TYR A 38 -8.343 -1.067 0.793 1.00 0.00 O ATOM 0 H TYR A 38 -2.334 -2.693 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.470 -4.993 0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.173 -4.131 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.856 -5.495 -1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.158 -5.055 0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.020 -1.919 -2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.856 -3.563 1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.719 -0.426 -1.191 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.466 -1.306 1.735 1.00 0.00 H new ATOM 622 N SER A 39 -1.969 -6.612 -0.907 1.00 0.00 N ATOM 623 CA SER A 39 -0.938 -7.484 -1.535 1.00 0.00 C ATOM 624 C SER A 39 -1.613 -8.443 -2.518 1.00 0.00 C ATOM 625 O SER A 39 -2.822 -8.490 -2.622 1.00 0.00 O ATOM 626 CB SER A 39 -0.218 -8.287 -0.452 1.00 0.00 C ATOM 627 OG SER A 39 -0.568 -9.660 -0.576 1.00 0.00 O ATOM 0 H SER A 39 -2.516 -7.051 -0.166 1.00 0.00 H new ATOM 0 HA SER A 39 -0.215 -6.866 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.861 -8.164 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.494 -7.917 0.535 1.00 0.00 H new ATOM 0 HG SER A 39 -0.107 -10.179 0.116 1.00 0.00 H new ATOM 633 N PRO A 40 -0.829 -9.203 -3.234 1.00 0.00 N ATOM 634 CA PRO A 40 -1.344 -10.185 -4.230 1.00 0.00 C ATOM 635 C PRO A 40 -2.386 -11.132 -3.625 1.00 0.00 C ATOM 636 O PRO A 40 -3.338 -11.517 -4.273 1.00 0.00 O ATOM 637 CB PRO A 40 -0.098 -10.963 -4.653 1.00 0.00 C ATOM 638 CG PRO A 40 1.054 -10.058 -4.370 1.00 0.00 C ATOM 639 CD PRO A 40 0.640 -9.204 -3.169 1.00 0.00 C ATOM 0 HA PRO A 40 -1.851 -9.691 -5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.010 -11.896 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.140 -11.226 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.954 -10.631 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.279 -9.432 -5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.999 -9.629 -2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.045 -8.194 -3.237 1.00 0.00 H new ATOM 647 N SER A 41 -2.211 -11.507 -2.387 1.00 0.00 N ATOM 648 CA SER A 41 -3.187 -12.434 -1.746 1.00 0.00 C ATOM 649 C SER A 41 -4.390 -11.637 -1.239 1.00 0.00 C ATOM 650 O SER A 41 -5.327 -12.186 -0.694 1.00 0.00 O ATOM 651 CB SER A 41 -2.516 -13.147 -0.572 1.00 0.00 C ATOM 652 OG SER A 41 -1.217 -13.574 -0.961 1.00 0.00 O ATOM 0 H SER A 41 -1.436 -11.212 -1.793 1.00 0.00 H new ATOM 0 HA SER A 41 -3.522 -13.171 -2.476 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.449 -12.477 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.115 -14.003 -0.261 1.00 0.00 H new ATOM 0 HG SER A 41 -0.784 -14.030 -0.209 1.00 0.00 H new ATOM 658 N GLY A 42 -4.374 -10.343 -1.413 1.00 0.00 N ATOM 659 CA GLY A 42 -5.517 -9.512 -0.941 1.00 0.00 C ATOM 660 C GLY A 42 -5.296 -9.122 0.522 1.00 0.00 C ATOM 661 O GLY A 42 -6.186 -8.629 1.185 1.00 0.00 O ATOM 0 H GLY A 42 -3.618 -9.826 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.608 -8.617 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.450 -10.066 -1.044 1.00 0.00 H new ATOM 665 N LYS A 43 -4.114 -9.339 1.030 1.00 0.00 N ATOM 666 CA LYS A 43 -3.836 -8.977 2.449 1.00 0.00 C ATOM 667 C LYS A 43 -3.807 -7.455 2.591 1.00 0.00 C ATOM 668 O LYS A 43 -2.968 -6.784 2.024 1.00 0.00 O ATOM 669 CB LYS A 43 -2.482 -9.554 2.867 1.00 0.00 C ATOM 670 CG LYS A 43 -2.134 -9.072 4.277 1.00 0.00 C ATOM 671 CD LYS A 43 -0.738 -9.569 4.657 1.00 0.00 C ATOM 672 CE LYS A 43 -0.340 -8.985 6.014 1.00 0.00 C ATOM 673 NZ LYS A 43 0.985 -9.535 6.421 1.00 0.00 N ATOM 0 H LYS A 43 -3.329 -9.751 0.525 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.618 -9.387 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.516 -10.643 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.710 -9.243 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.168 -7.983 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.870 -9.442 4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.728 -10.658 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.016 -9.274 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.292 -7.898 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.093 -9.230 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.257 -9.139 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.924 -10.571 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.700 -9.280 5.710 1.00 0.00 H new ATOM 687 N LYS A 44 -4.718 -6.901 3.345 1.00 0.00 N ATOM 688 CA LYS A 44 -4.726 -5.425 3.542 1.00 0.00 C ATOM 689 C LYS A 44 -3.971 -5.077 4.827 1.00 0.00 C ATOM 690 O LYS A 44 -4.185 -5.672 5.863 1.00 0.00 O ATOM 691 CB LYS A 44 -6.171 -4.932 3.650 1.00 0.00 C ATOM 692 CG LYS A 44 -6.821 -5.528 4.901 1.00 0.00 C ATOM 693 CD LYS A 44 -8.301 -5.138 4.942 1.00 0.00 C ATOM 694 CE LYS A 44 -8.976 -5.829 6.128 1.00 0.00 C ATOM 695 NZ LYS A 44 -8.154 -5.630 7.355 1.00 0.00 N ATOM 0 H LYS A 44 -5.457 -7.408 3.833 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.240 -4.943 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.192 -3.843 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.733 -5.222 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.720 -6.613 4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.314 -5.166 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.401 -4.056 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.790 -5.427 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.976 -5.422 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.092 -6.893 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.767 -5.670 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.434 -6.378 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.686 -4.702 7.313 1.00 0.00 H new ATOM 709 N PHE A 45 -3.090 -4.116 4.766 1.00 0.00 N ATOM 710 CA PHE A 45 -2.319 -3.734 5.982 1.00 0.00 C ATOM 711 C PHE A 45 -2.144 -2.215 6.019 1.00 0.00 C ATOM 712 O PHE A 45 -2.120 -1.558 4.996 1.00 0.00 O ATOM 713 CB PHE A 45 -0.945 -4.405 5.947 1.00 0.00 C ATOM 714 CG PHE A 45 -0.349 -4.262 4.567 1.00 0.00 C ATOM 715 CD1 PHE A 45 -0.730 -5.139 3.544 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.584 -3.251 4.309 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.179 -5.005 2.266 1.00 0.00 C ATOM 718 CE2 PHE A 45 1.136 -3.119 3.029 1.00 0.00 C ATOM 719 CZ PHE A 45 0.755 -3.996 2.007 1.00 0.00 C ATOM 0 H PHE A 45 -2.871 -3.579 3.927 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.859 -4.059 6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.287 -3.950 6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.037 -5.459 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.450 -5.919 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.878 -2.573 5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.475 -5.681 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.857 -2.340 2.830 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.181 -3.894 1.020 1.00 0.00 H new ATOM 729 N ARG A 46 -2.023 -1.649 7.188 1.00 0.00 N ATOM 730 CA ARG A 46 -1.834 -0.175 7.288 1.00 0.00 C ATOM 731 C ARG A 46 -0.574 0.124 8.102 1.00 0.00 C ATOM 732 O ARG A 46 -0.634 0.716 9.162 1.00 0.00 O ATOM 733 CB ARG A 46 -3.048 0.449 7.978 1.00 0.00 C ATOM 734 CG ARG A 46 -2.941 1.975 7.920 1.00 0.00 C ATOM 735 CD ARG A 46 -3.261 2.454 6.502 1.00 0.00 C ATOM 736 NE ARG A 46 -3.639 3.895 6.539 1.00 0.00 N ATOM 737 CZ ARG A 46 -2.713 4.808 6.652 1.00 0.00 C ATOM 738 NH1 ARG A 46 -1.459 4.460 6.736 1.00 0.00 N ATOM 739 NH2 ARG A 46 -3.044 6.070 6.686 1.00 0.00 N ATOM 0 H ARG A 46 -2.047 -2.145 8.079 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.728 0.246 6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.966 0.120 7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.101 0.117 9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.632 2.426 8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.937 2.291 8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.396 2.310 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.076 1.864 6.082 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.620 4.167 6.476 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.201 3.473 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.736 5.174 6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.025 6.342 6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.321 6.785 6.774 1.00 0.00 H new ATOM 753 N SER A 47 0.568 -0.280 7.616 1.00 0.00 N ATOM 754 CA SER A 47 1.831 -0.011 8.360 1.00 0.00 C ATOM 755 C SER A 47 2.990 0.110 7.368 1.00 0.00 C ATOM 756 O SER A 47 3.226 -0.770 6.564 1.00 0.00 O ATOM 757 CB SER A 47 2.107 -1.160 9.329 1.00 0.00 C ATOM 758 OG SER A 47 3.504 -1.236 9.582 1.00 0.00 O ATOM 0 H SER A 47 0.681 -0.784 6.737 1.00 0.00 H new ATOM 0 HA SER A 47 1.732 0.919 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.565 -1.003 10.261 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.750 -2.100 8.908 1.00 0.00 H new ATOM 0 HG SER A 47 3.659 -1.730 10.414 1.00 0.00 H new ATOM 764 N LYS A 48 3.717 1.193 7.419 1.00 0.00 N ATOM 765 CA LYS A 48 4.853 1.373 6.474 1.00 0.00 C ATOM 766 C LYS A 48 5.924 0.318 6.756 1.00 0.00 C ATOM 767 O LYS A 48 6.345 -0.406 5.875 1.00 0.00 O ATOM 768 CB LYS A 48 5.452 2.769 6.654 1.00 0.00 C ATOM 769 CG LYS A 48 6.940 2.738 6.298 1.00 0.00 C ATOM 770 CD LYS A 48 7.432 4.162 6.034 1.00 0.00 C ATOM 771 CE LYS A 48 8.961 4.171 5.970 1.00 0.00 C ATOM 772 NZ LYS A 48 9.419 5.354 5.187 1.00 0.00 N ATOM 0 H LYS A 48 3.572 1.961 8.075 1.00 0.00 H new ATOM 0 HA LYS A 48 4.494 1.262 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.930 3.484 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.321 3.102 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.510 2.290 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.101 2.117 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.016 4.534 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.087 4.830 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.378 4.205 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.322 3.253 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.458 5.360 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.032 5.303 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.087 6.225 5.648 1.00 0.00 H new ATOM 786 N PRO A 49 6.359 0.235 7.983 1.00 0.00 N ATOM 787 CA PRO A 49 7.388 -0.756 8.412 1.00 0.00 C ATOM 788 C PRO A 49 6.969 -2.197 8.098 1.00 0.00 C ATOM 789 O PRO A 49 7.777 -3.015 7.706 1.00 0.00 O ATOM 790 CB PRO A 49 7.488 -0.549 9.924 1.00 0.00 C ATOM 791 CG PRO A 49 6.264 0.221 10.304 1.00 0.00 C ATOM 792 CD PRO A 49 5.915 1.083 9.100 1.00 0.00 C ATOM 0 HA PRO A 49 8.333 -0.608 7.890 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.530 -1.503 10.449 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.393 -0.001 10.186 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.443 -0.451 10.553 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.449 0.837 11.184 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.848 1.301 9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.435 2.041 9.118 1.00 0.00 H new ATOM 800 N GLN A 50 5.714 -2.510 8.267 1.00 0.00 N ATOM 801 CA GLN A 50 5.243 -3.891 7.960 1.00 0.00 C ATOM 802 C GLN A 50 5.381 -4.154 6.459 1.00 0.00 C ATOM 803 O GLN A 50 5.681 -5.253 6.038 1.00 0.00 O ATOM 804 CB GLN A 50 3.776 -4.030 8.370 1.00 0.00 C ATOM 805 CG GLN A 50 3.357 -5.499 8.272 1.00 0.00 C ATOM 806 CD GLN A 50 1.884 -5.637 8.660 1.00 0.00 C ATOM 807 OE1 GLN A 50 1.011 -5.163 7.958 1.00 0.00 O ATOM 808 NE2 GLN A 50 1.566 -6.272 9.755 1.00 0.00 N ATOM 0 H GLN A 50 4.994 -1.870 8.604 1.00 0.00 H new ATOM 0 HA GLN A 50 5.845 -4.613 8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.636 -3.668 9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.147 -3.417 7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.513 -5.866 7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.976 -6.109 8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.297 -6.670 10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.586 -6.370 10.021 1.00 0.00 H new ATOM 817 N LEU A 51 5.164 -3.153 5.648 1.00 0.00 N ATOM 818 CA LEU A 51 5.291 -3.346 4.176 1.00 0.00 C ATOM 819 C LEU A 51 6.759 -3.582 3.817 1.00 0.00 C ATOM 820 O LEU A 51 7.083 -4.432 3.013 1.00 0.00 O ATOM 821 CB LEU A 51 4.782 -2.098 3.453 1.00 0.00 C ATOM 822 CG LEU A 51 4.421 -2.455 2.011 1.00 0.00 C ATOM 823 CD1 LEU A 51 3.735 -1.260 1.345 1.00 0.00 C ATOM 824 CD2 LEU A 51 5.696 -2.804 1.239 1.00 0.00 C ATOM 0 H LEU A 51 4.905 -2.211 5.942 1.00 0.00 H new ATOM 0 HA LEU A 51 4.700 -4.209 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.910 -1.697 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.546 -1.320 3.466 1.00 0.00 H new ATOM 0 HG LEU A 51 3.746 -3.311 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.478 -1.515 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.828 -1.009 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.410 -0.404 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.440 -3.059 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.370 -1.948 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.187 -3.655 1.712 1.00 0.00 H new ATOM 836 N ALA A 52 7.650 -2.833 4.407 1.00 0.00 N ATOM 837 CA ALA A 52 9.096 -3.011 4.097 1.00 0.00 C ATOM 838 C ALA A 52 9.536 -4.417 4.508 1.00 0.00 C ATOM 839 O ALA A 52 10.279 -5.076 3.808 1.00 0.00 O ATOM 840 CB ALA A 52 9.915 -1.975 4.868 1.00 0.00 C ATOM 0 H ALA A 52 7.439 -2.106 5.090 1.00 0.00 H new ATOM 0 HA ALA A 52 9.257 -2.878 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.973 -2.105 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.602 -0.973 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.754 -2.107 5.938 1.00 0.00 H new ATOM 846 N ARG A 53 9.083 -4.884 5.640 1.00 0.00 N ATOM 847 CA ARG A 53 9.474 -6.249 6.093 1.00 0.00 C ATOM 848 C ARG A 53 9.028 -7.279 5.052 1.00 0.00 C ATOM 849 O ARG A 53 9.791 -8.131 4.643 1.00 0.00 O ATOM 850 CB ARG A 53 8.799 -6.555 7.432 1.00 0.00 C ATOM 851 CG ARG A 53 9.266 -7.921 7.940 1.00 0.00 C ATOM 852 CD ARG A 53 8.597 -8.222 9.282 1.00 0.00 C ATOM 853 NE ARG A 53 7.120 -8.287 9.098 1.00 0.00 N ATOM 854 CZ ARG A 53 6.556 -9.407 8.736 1.00 0.00 C ATOM 855 NH1 ARG A 53 7.287 -10.469 8.533 1.00 0.00 N ATOM 856 NH2 ARG A 53 5.263 -9.465 8.574 1.00 0.00 N ATOM 0 H ARG A 53 8.459 -4.379 6.270 1.00 0.00 H new ATOM 0 HA ARG A 53 10.557 -6.296 6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.044 -5.781 8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.715 -6.550 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.016 -8.695 7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.350 -7.928 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.966 -9.167 9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.850 -7.449 10.008 1.00 0.00 H new ATOM 0 HE ARG A 53 6.549 -7.456 9.255 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.298 -10.423 8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.847 -11.345 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.692 -8.635 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.823 -10.341 8.291 1.00 0.00 H new ATOM 870 N TYR A 54 7.798 -7.207 4.620 1.00 0.00 N ATOM 871 CA TYR A 54 7.311 -8.175 3.597 1.00 0.00 C ATOM 872 C TYR A 54 8.093 -7.982 2.298 1.00 0.00 C ATOM 873 O TYR A 54 8.587 -8.926 1.713 1.00 0.00 O ATOM 874 CB TYR A 54 5.822 -7.935 3.338 1.00 0.00 C ATOM 875 CG TYR A 54 5.221 -9.158 2.689 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.554 -9.486 1.369 1.00 0.00 C ATOM 877 CD2 TYR A 54 4.329 -9.964 3.405 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.996 -10.620 0.767 1.00 0.00 C ATOM 879 CE2 TYR A 54 3.771 -11.098 2.804 1.00 0.00 C ATOM 880 CZ TYR A 54 4.104 -11.426 1.485 1.00 0.00 C ATOM 881 OH TYR A 54 3.555 -12.543 0.892 1.00 0.00 O ATOM 0 H TYR A 54 7.111 -6.521 4.931 1.00 0.00 H new ATOM 0 HA TYR A 54 7.458 -9.192 3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.309 -7.718 4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.689 -7.066 2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.242 -8.864 0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.071 -9.711 4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.253 -10.873 -0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.083 -11.720 3.358 1.00 0.00 H new ATOM 0 HH TYR A 54 2.958 -12.991 1.528 1.00 0.00 H new ATOM 891 N LEU A 55 8.210 -6.766 1.838 1.00 0.00 N ATOM 892 CA LEU A 55 8.967 -6.514 0.580 1.00 0.00 C ATOM 893 C LEU A 55 10.465 -6.470 0.887 1.00 0.00 C ATOM 894 O LEU A 55 11.283 -6.287 0.006 1.00 0.00 O ATOM 895 CB LEU A 55 8.529 -5.175 -0.020 1.00 0.00 C ATOM 896 CG LEU A 55 7.448 -5.418 -1.074 1.00 0.00 C ATOM 897 CD1 LEU A 55 8.077 -6.052 -2.315 1.00 0.00 C ATOM 898 CD2 LEU A 55 6.385 -6.361 -0.505 1.00 0.00 C ATOM 0 H LEU A 55 7.814 -5.936 2.280 1.00 0.00 H new ATOM 0 HA LEU A 55 8.765 -7.314 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.147 -4.521 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.383 -4.669 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 55 6.986 -4.469 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.306 -6.225 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.835 -5.382 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.539 -7.001 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.614 -6.535 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.848 -7.310 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.935 -5.911 0.380 1.00 0.00 H new ATOM 910 N GLY A 56 10.832 -6.634 2.128 1.00 0.00 N ATOM 911 CA GLY A 56 12.276 -6.592 2.490 1.00 0.00 C ATOM 912 C GLY A 56 13.016 -7.723 1.778 1.00 0.00 C ATOM 913 O GLY A 56 14.156 -7.580 1.380 1.00 0.00 O ATOM 0 H GLY A 56 10.194 -6.795 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.704 -5.630 2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.394 -6.690 3.569 1.00 0.00 H new ATOM 917 N GLY A 57 12.379 -8.851 1.613 1.00 0.00 N ATOM 918 CA GLY A 57 13.054 -9.996 0.939 1.00 0.00 C ATOM 919 C GLY A 57 12.824 -9.906 -0.572 1.00 0.00 C ATOM 920 O GLY A 57 13.331 -10.706 -1.334 1.00 0.00 O ATOM 0 H GLY A 57 11.421 -9.028 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.122 -9.982 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.663 -10.939 1.322 1.00 0.00 H new ATOM 924 N SER A 58 12.065 -8.940 -1.010 1.00 0.00 N ATOM 925 CA SER A 58 11.797 -8.807 -2.469 1.00 0.00 C ATOM 926 C SER A 58 12.465 -7.536 -2.997 1.00 0.00 C ATOM 927 O SER A 58 12.873 -7.467 -4.139 1.00 0.00 O ATOM 928 CB SER A 58 10.288 -8.725 -2.706 1.00 0.00 C ATOM 929 OG SER A 58 10.020 -7.729 -3.684 1.00 0.00 O ATOM 0 H SER A 58 11.619 -8.237 -0.421 1.00 0.00 H new ATOM 0 HA SER A 58 12.200 -9.674 -2.992 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.908 -9.690 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.775 -8.485 -1.775 1.00 0.00 H new ATOM 0 HG SER A 58 9.133 -7.882 -4.072 1.00 0.00 H new ATOM 935 N MET A 59 12.581 -6.530 -2.174 1.00 0.00 N ATOM 936 CA MET A 59 13.218 -5.264 -2.632 1.00 0.00 C ATOM 937 C MET A 59 13.351 -4.303 -1.449 1.00 0.00 C ATOM 938 O MET A 59 12.771 -4.509 -0.401 1.00 0.00 O ATOM 939 CB MET A 59 12.352 -4.620 -3.717 1.00 0.00 C ATOM 940 CG MET A 59 13.081 -3.409 -4.301 1.00 0.00 C ATOM 941 SD MET A 59 12.317 -2.946 -5.876 1.00 0.00 S ATOM 942 CE MET A 59 11.114 -1.772 -5.209 1.00 0.00 C ATOM 0 H MET A 59 12.262 -6.530 -1.205 1.00 0.00 H new ATOM 0 HA MET A 59 14.206 -5.481 -3.037 1.00 0.00 H new ATOM 0 HB2 MET A 59 12.139 -5.344 -4.504 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.394 -4.313 -3.298 1.00 0.00 H new ATOM 0 HG2 MET A 59 13.036 -2.573 -3.603 1.00 0.00 H new ATOM 0 HG3 MET A 59 14.135 -3.643 -4.451 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.105 -2.140 -5.394 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.269 -1.662 -4.136 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.242 -0.805 -5.695 1.00 0.00 H new ATOM 952 N ASP A 60 14.111 -3.254 -1.606 1.00 0.00 N ATOM 953 CA ASP A 60 14.280 -2.282 -0.490 1.00 0.00 C ATOM 954 C ASP A 60 13.244 -1.165 -0.624 1.00 0.00 C ATOM 955 O ASP A 60 13.279 -0.380 -1.552 1.00 0.00 O ATOM 956 CB ASP A 60 15.687 -1.682 -0.545 1.00 0.00 C ATOM 957 CG ASP A 60 16.711 -2.745 -0.146 1.00 0.00 C ATOM 958 OD1 ASP A 60 16.299 -3.791 0.327 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.893 -2.496 -0.323 1.00 0.00 O ATOM 0 H ASP A 60 14.622 -3.028 -2.459 1.00 0.00 H new ATOM 0 HA ASP A 60 14.140 -2.794 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.899 -1.317 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.755 -0.826 0.126 1.00 0.00 H new ATOM 964 N LEU A 61 12.320 -1.087 0.294 1.00 0.00 N ATOM 965 CA LEU A 61 11.280 -0.023 0.216 1.00 0.00 C ATOM 966 C LEU A 61 11.486 0.977 1.355 1.00 0.00 C ATOM 967 O LEU A 61 10.659 1.834 1.598 1.00 0.00 O ATOM 968 CB LEU A 61 9.892 -0.657 0.339 1.00 0.00 C ATOM 969 CG LEU A 61 9.431 -1.148 -1.035 1.00 0.00 C ATOM 970 CD1 LEU A 61 10.360 -2.264 -1.516 1.00 0.00 C ATOM 971 CD2 LEU A 61 8.003 -1.687 -0.929 1.00 0.00 C ATOM 0 H LEU A 61 12.240 -1.714 1.095 1.00 0.00 H new ATOM 0 HA LEU A 61 11.361 0.494 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.922 -1.489 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.182 0.070 0.734 1.00 0.00 H new ATOM 0 HG LEU A 61 9.458 -0.321 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.032 -2.614 -2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.379 -1.883 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.332 -3.091 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.673 -2.037 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.978 -2.514 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.339 -0.894 -0.585 1.00 0.00 H new ATOM 983 N SER A 62 12.581 0.875 2.055 1.00 0.00 N ATOM 984 CA SER A 62 12.838 1.819 3.179 1.00 0.00 C ATOM 985 C SER A 62 12.770 3.259 2.664 1.00 0.00 C ATOM 986 O SER A 62 12.330 4.156 3.354 1.00 0.00 O ATOM 987 CB SER A 62 14.226 1.552 3.762 1.00 0.00 C ATOM 988 OG SER A 62 15.208 1.783 2.761 1.00 0.00 O ATOM 0 H SER A 62 13.310 0.179 1.898 1.00 0.00 H new ATOM 0 HA SER A 62 12.084 1.674 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.404 2.201 4.619 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.291 0.525 4.121 1.00 0.00 H new ATOM 0 HG SER A 62 16.099 1.614 3.132 1.00 0.00 H new ATOM 994 N THR A 63 13.202 3.485 1.452 1.00 0.00 N ATOM 995 CA THR A 63 13.164 4.866 0.894 1.00 0.00 C ATOM 996 C THR A 63 11.847 5.077 0.147 1.00 0.00 C ATOM 997 O THR A 63 11.749 5.901 -0.740 1.00 0.00 O ATOM 998 CB THR A 63 14.336 5.057 -0.073 1.00 0.00 C ATOM 999 OG1 THR A 63 14.446 3.916 -0.911 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.630 5.239 0.720 1.00 0.00 C ATOM 0 H THR A 63 13.579 2.773 0.826 1.00 0.00 H new ATOM 0 HA THR A 63 13.241 5.589 1.706 1.00 0.00 H new ATOM 0 HB THR A 63 14.162 5.942 -0.685 1.00 0.00 H new ATOM 0 HG1 THR A 63 15.195 4.037 -1.532 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.463 5.375 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.543 6.116 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.808 4.356 1.334 1.00 0.00 H new ATOM 1008 N PHE A 64 10.828 4.339 0.498 1.00 0.00 N ATOM 1009 CA PHE A 64 9.519 4.497 -0.194 1.00 0.00 C ATOM 1010 C PHE A 64 8.667 5.524 0.556 1.00 0.00 C ATOM 1011 O PHE A 64 8.442 5.410 1.745 1.00 0.00 O ATOM 1012 CB PHE A 64 8.791 3.152 -0.221 1.00 0.00 C ATOM 1013 CG PHE A 64 7.450 3.318 -0.895 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.386 3.553 -2.275 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.272 3.239 -0.143 1.00 0.00 C ATOM 1016 CE1 PHE A 64 6.142 3.708 -2.901 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.029 3.393 -0.770 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.966 3.627 -2.149 1.00 0.00 C ATOM 0 H PHE A 64 10.847 3.634 1.235 1.00 0.00 H new ATOM 0 HA PHE A 64 9.686 4.840 -1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.389 2.413 -0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.656 2.779 0.794 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.295 3.615 -2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.322 3.059 0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.092 3.890 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.120 3.331 -0.190 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.008 3.745 -2.633 1.00 0.00 H new ATOM 1028 N ASP A 65 8.189 6.527 -0.130 1.00 0.00 N ATOM 1029 CA ASP A 65 7.353 7.559 0.545 1.00 0.00 C ATOM 1030 C ASP A 65 5.953 6.998 0.796 1.00 0.00 C ATOM 1031 O ASP A 65 5.193 6.766 -0.123 1.00 0.00 O ATOM 1032 CB ASP A 65 7.255 8.798 -0.348 1.00 0.00 C ATOM 1033 CG ASP A 65 8.613 9.500 -0.401 1.00 0.00 C ATOM 1034 OD1 ASP A 65 9.460 9.169 0.412 1.00 0.00 O ATOM 1035 OD2 ASP A 65 8.782 10.357 -1.252 1.00 0.00 O ATOM 0 H ASP A 65 8.341 6.676 -1.128 1.00 0.00 H new ATOM 0 HA ASP A 65 7.809 7.832 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.943 8.511 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.497 9.479 0.039 1.00 0.00 H new ATOM 1040 N PHE A 66 5.604 6.780 2.034 1.00 0.00 N ATOM 1041 CA PHE A 66 4.257 6.221 2.341 1.00 0.00 C ATOM 1042 C PHE A 66 3.198 7.306 2.146 1.00 0.00 C ATOM 1043 O PHE A 66 2.161 7.076 1.555 1.00 0.00 O ATOM 1044 CB PHE A 66 4.227 5.733 3.791 1.00 0.00 C ATOM 1045 CG PHE A 66 2.898 5.074 4.074 1.00 0.00 C ATOM 1046 CD1 PHE A 66 2.723 3.710 3.809 1.00 0.00 C ATOM 1047 CD2 PHE A 66 1.840 5.827 4.597 1.00 0.00 C ATOM 1048 CE1 PHE A 66 1.490 3.099 4.070 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.608 5.215 4.858 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.433 3.852 4.594 1.00 0.00 C ATOM 0 H PHE A 66 6.193 6.965 2.846 1.00 0.00 H new ATOM 0 HA PHE A 66 4.048 5.386 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.039 5.027 3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.382 6.571 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.538 3.129 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.974 6.879 4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.355 2.047 3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.208 5.795 5.263 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.518 3.381 4.795 1.00 0.00 H new ATOM 1060 N ARG A 67 3.449 8.490 2.636 1.00 0.00 N ATOM 1061 CA ARG A 67 2.445 9.582 2.497 1.00 0.00 C ATOM 1062 C ARG A 67 2.251 9.911 1.015 1.00 0.00 C ATOM 1063 O ARG A 67 1.155 10.186 0.569 1.00 0.00 O ATOM 1064 CB ARG A 67 2.942 10.828 3.234 1.00 0.00 C ATOM 1065 CG ARG A 67 3.261 10.467 4.686 1.00 0.00 C ATOM 1066 CD ARG A 67 1.959 10.266 5.461 1.00 0.00 C ATOM 1067 NE ARG A 67 1.076 11.452 5.268 1.00 0.00 N ATOM 1068 CZ ARG A 67 -0.156 11.426 5.696 1.00 0.00 C ATOM 1069 NH1 ARG A 67 -0.616 10.361 6.293 1.00 0.00 N ATOM 1070 NH2 ARG A 67 -0.928 12.465 5.526 1.00 0.00 N ATOM 0 H ARG A 67 4.306 8.748 3.126 1.00 0.00 H new ATOM 0 HA ARG A 67 1.496 9.260 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.831 11.224 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.184 11.610 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.862 9.558 4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.852 11.258 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.454 9.364 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.172 10.127 6.521 1.00 0.00 H new ATOM 0 HE ARG A 67 1.436 12.284 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.012 9.549 6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.579 10.340 6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.568 13.297 5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.891 12.445 5.861 1.00 0.00 H new ATOM 1084 N THR A 68 3.307 9.883 0.249 1.00 0.00 N ATOM 1085 CA THR A 68 3.184 10.208 -1.201 1.00 0.00 C ATOM 1086 C THR A 68 3.116 8.912 -2.012 1.00 0.00 C ATOM 1087 O THR A 68 2.743 8.911 -3.167 1.00 0.00 O ATOM 1088 CB THR A 68 4.399 11.024 -1.646 1.00 0.00 C ATOM 1089 OG1 THR A 68 5.496 10.151 -1.875 1.00 0.00 O ATOM 1090 CG2 THR A 68 4.767 12.032 -0.555 1.00 0.00 C ATOM 0 H THR A 68 4.249 9.649 0.564 1.00 0.00 H new ATOM 0 HA THR A 68 2.276 10.788 -1.366 1.00 0.00 H new ATOM 0 HB THR A 68 4.161 11.558 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.275 10.672 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.633 12.613 -0.873 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.925 12.702 -0.380 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.005 11.500 0.366 1.00 0.00 H new ATOM 1098 N GLY A 69 3.473 7.809 -1.414 1.00 0.00 N ATOM 1099 CA GLY A 69 3.432 6.515 -2.152 1.00 0.00 C ATOM 1100 C GLY A 69 4.398 6.568 -3.336 1.00 0.00 C ATOM 1101 O GLY A 69 4.114 6.072 -4.407 1.00 0.00 O ATOM 0 H GLY A 69 3.791 7.748 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.703 5.696 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.420 6.318 -2.504 1.00 0.00 H new ATOM 1105 N LYS A 70 5.542 7.170 -3.151 1.00 0.00 N ATOM 1106 CA LYS A 70 6.521 7.266 -4.272 1.00 0.00 C ATOM 1107 C LYS A 70 7.913 6.881 -3.766 1.00 0.00 C ATOM 1108 O LYS A 70 8.232 7.052 -2.606 1.00 0.00 O ATOM 1109 CB LYS A 70 6.551 8.701 -4.802 1.00 0.00 C ATOM 1110 CG LYS A 70 5.183 9.058 -5.386 1.00 0.00 C ATOM 1111 CD LYS A 70 5.034 8.418 -6.767 1.00 0.00 C ATOM 1112 CE LYS A 70 3.712 8.864 -7.397 1.00 0.00 C ATOM 1113 NZ LYS A 70 3.590 8.277 -8.761 1.00 0.00 N ATOM 0 H LYS A 70 5.840 7.598 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 70 6.224 6.589 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.807 9.392 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.322 8.802 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.391 8.708 -4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.080 10.140 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.869 8.707 -7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.060 7.332 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.875 8.545 -6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.672 9.952 -7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.692 8.579 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.382 8.602 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.610 7.239 -8.695 1.00 0.00 H new ATOM 1127 N MET A 71 8.746 6.363 -4.627 1.00 0.00 N ATOM 1128 CA MET A 71 10.118 5.972 -4.196 1.00 0.00 C ATOM 1129 C MET A 71 11.094 7.106 -4.518 1.00 0.00 C ATOM 1130 O MET A 71 11.200 7.545 -5.646 1.00 0.00 O ATOM 1131 CB MET A 71 10.545 4.705 -4.939 1.00 0.00 C ATOM 1132 CG MET A 71 11.870 4.200 -4.365 1.00 0.00 C ATOM 1133 SD MET A 71 12.208 2.539 -5.000 1.00 0.00 S ATOM 1134 CE MET A 71 12.075 1.662 -3.423 1.00 0.00 C ATOM 0 H MET A 71 8.536 6.194 -5.611 1.00 0.00 H new ATOM 0 HA MET A 71 10.122 5.781 -3.123 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.778 3.937 -4.841 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.653 4.914 -6.003 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.679 4.877 -4.639 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.824 4.182 -3.276 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.074 0.587 -3.603 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.923 1.923 -2.789 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.148 1.947 -2.925 1.00 0.00 H new ATOM 1144 N LEU A 72 11.809 7.582 -3.536 1.00 0.00 N ATOM 1145 CA LEU A 72 12.773 8.692 -3.786 1.00 0.00 C ATOM 1146 C LEU A 72 13.699 8.844 -2.577 1.00 0.00 C ATOM 1147 CB LEU A 72 12.002 9.995 -4.005 1.00 0.00 C ATOM 1148 CG LEU A 72 12.990 11.136 -4.255 1.00 0.00 C ATOM 1149 CD1 LEU A 72 13.835 10.817 -5.490 1.00 0.00 C ATOM 1150 CD2 LEU A 72 12.217 12.435 -4.490 1.00 0.00 C ATOM 0 H LEU A 72 11.768 7.251 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 72 13.366 8.467 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.326 9.892 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.387 10.217 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 72 13.641 11.250 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.539 11.630 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 72 14.385 9.890 -5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 72 13.184 10.704 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.919 13.249 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.567 12.320 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.613 12.663 -3.612 1.00 0.00 H new