USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 MET CE :methyl 145:sc= 0 (180deg=-0.0173) USER MOD Set 1.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 GLN : amide:sc= -4.35! C(o=-4.4!,f=-7.7!) USER MOD Set 3.1: A 39 SER OG : rot -118:sc= 0.8 USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0.677 USER MOD Single : A 6 LYS NZ :NH3+ -116:sc= 0.255 (180deg=-1.03) USER MOD Single : A 10 CYS SG : rot 147:sc= -2.43! USER MOD Single : A 15 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.77) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 133:sc= 1.49 USER MOD Single : A 38 TYR OH : rot 41:sc= 0.0129 USER MOD Single : A 44 LYS NZ :NH3+ 146:sc= -0.157! (180deg=-1.05!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.258 USER MOD Single : A 48 LYS NZ :NH3+ 165:sc=-0.00104 (180deg=-0.104) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -31:sc= 0.806 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 68 THR OG1 : rot -143:sc= -2.92! USER MOD Single : A 70 LYS NZ :NH3+ -166:sc=-0.00999 (180deg=-0.23) USER MOD ----------------------------------------------------------------- ATOM 53 N ARG A 5 -13.212 6.187 -3.097 1.00 0.00 N ATOM 54 CA ARG A 5 -12.054 5.255 -2.998 1.00 0.00 C ATOM 55 C ARG A 5 -11.116 5.481 -4.185 1.00 0.00 C ATOM 56 O ARG A 5 -11.373 5.037 -5.287 1.00 0.00 O ATOM 57 CB ARG A 5 -12.559 3.811 -3.015 1.00 0.00 C ATOM 58 CG ARG A 5 -11.381 2.855 -2.816 1.00 0.00 C ATOM 59 CD ARG A 5 -11.886 1.412 -2.835 1.00 0.00 C ATOM 60 NE ARG A 5 -12.420 1.090 -4.188 1.00 0.00 N ATOM 61 CZ ARG A 5 -13.063 -0.028 -4.388 1.00 0.00 C ATOM 62 NH1 ARG A 5 -13.237 -0.865 -3.402 1.00 0.00 N ATOM 63 NH2 ARG A 5 -13.530 -0.309 -5.573 1.00 0.00 N ATOM 0 HA ARG A 5 -11.516 5.441 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.298 3.664 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.056 3.600 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.642 3.003 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.884 3.065 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.076 0.729 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.664 1.278 -2.084 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.283 1.744 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.871 -0.645 -2.476 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.739 -1.739 -3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.393 0.345 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.032 -1.183 -5.729 1.00 0.00 H new ATOM 77 N LYS A 6 -10.027 6.170 -3.970 1.00 0.00 N ATOM 78 CA LYS A 6 -9.072 6.422 -5.085 1.00 0.00 C ATOM 79 C LYS A 6 -8.301 5.137 -5.397 1.00 0.00 C ATOM 80 O LYS A 6 -8.274 4.212 -4.609 1.00 0.00 O ATOM 81 CB LYS A 6 -8.088 7.520 -4.677 1.00 0.00 C ATOM 82 CG LYS A 6 -8.827 8.855 -4.580 1.00 0.00 C ATOM 83 CD LYS A 6 -8.152 9.736 -3.525 1.00 0.00 C ATOM 84 CE LYS A 6 -8.780 11.131 -3.547 1.00 0.00 C ATOM 85 NZ LYS A 6 -8.095 12.000 -2.548 1.00 0.00 N ATOM 0 H LYS A 6 -9.759 6.569 -3.070 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.624 6.739 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.630 7.275 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.282 7.590 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.821 9.358 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.871 8.687 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.266 9.290 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.082 9.804 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.693 11.565 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.844 11.066 -3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.771 12.278 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.306 11.478 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.729 12.851 -3.021 1.00 0.00 H new ATOM 99 N ARG A 7 -7.675 5.071 -6.540 1.00 0.00 N ATOM 100 CA ARG A 7 -6.933 3.835 -6.914 1.00 0.00 C ATOM 101 C ARG A 7 -5.650 4.214 -7.652 1.00 0.00 C ATOM 102 O ARG A 7 -5.654 5.043 -8.540 1.00 0.00 O ATOM 103 CB ARG A 7 -7.811 2.970 -7.824 1.00 0.00 C ATOM 104 CG ARG A 7 -8.654 2.022 -6.970 1.00 0.00 C ATOM 105 CD ARG A 7 -7.852 0.756 -6.667 1.00 0.00 C ATOM 106 NE ARG A 7 -8.715 -0.218 -5.942 1.00 0.00 N ATOM 107 CZ ARG A 7 -8.180 -1.249 -5.348 1.00 0.00 C ATOM 108 NH1 ARG A 7 -6.888 -1.427 -5.389 1.00 0.00 N ATOM 109 NH2 ARG A 7 -8.937 -2.102 -4.713 1.00 0.00 N ATOM 0 H ARG A 7 -7.646 5.820 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.681 3.275 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.459 3.603 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.188 2.399 -8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.943 2.513 -6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.574 1.765 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.486 0.314 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.978 1.002 -6.064 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.725 -0.079 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.297 -0.760 -5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.469 -2.233 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.947 -1.963 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.519 -2.908 -4.249 1.00 0.00 H new ATOM 123 N TRP A 8 -4.548 3.611 -7.296 1.00 0.00 N ATOM 124 CA TRP A 8 -3.265 3.935 -7.981 1.00 0.00 C ATOM 125 C TRP A 8 -2.270 2.793 -7.767 1.00 0.00 C ATOM 126 O TRP A 8 -2.091 2.312 -6.666 1.00 0.00 O ATOM 127 CB TRP A 8 -2.690 5.229 -7.405 1.00 0.00 C ATOM 128 CG TRP A 8 -3.510 6.390 -7.869 1.00 0.00 C ATOM 129 CD1 TRP A 8 -3.788 6.675 -9.162 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.158 7.422 -7.072 1.00 0.00 C ATOM 131 NE1 TRP A 8 -4.566 7.817 -9.210 1.00 0.00 N ATOM 132 CE2 TRP A 8 -4.822 8.315 -7.948 1.00 0.00 C ATOM 133 CE3 TRP A 8 -4.235 7.670 -5.690 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -5.535 9.413 -7.467 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -4.952 8.774 -5.204 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.601 9.645 -6.091 1.00 0.00 C ATOM 0 H TRP A 8 -4.481 2.908 -6.560 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.446 4.063 -9.048 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.687 5.185 -6.316 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.654 5.352 -7.722 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.457 6.104 -10.017 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.909 8.240 -10.073 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.739 7.006 -4.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.033 10.080 -8.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.004 8.954 -4.140 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.151 10.493 -5.711 1.00 0.00 H new ATOM 147 N GLU A 9 -1.622 2.354 -8.811 1.00 0.00 N ATOM 148 CA GLU A 9 -0.628 1.254 -8.662 1.00 0.00 C ATOM 149 C GLU A 9 0.634 1.795 -7.984 1.00 0.00 C ATOM 150 O GLU A 9 0.992 2.946 -8.144 1.00 0.00 O ATOM 151 CB GLU A 9 -0.266 0.702 -10.043 1.00 0.00 C ATOM 152 CG GLU A 9 -1.485 0.002 -10.648 1.00 0.00 C ATOM 153 CD GLU A 9 -1.150 -0.477 -12.060 1.00 0.00 C ATOM 154 OE1 GLU A 9 -0.022 -0.278 -12.482 1.00 0.00 O ATOM 155 OE2 GLU A 9 -2.027 -1.035 -12.699 1.00 0.00 O ATOM 0 H GLU A 9 -1.738 2.709 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.056 0.458 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.063 1.511 -10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.565 0.002 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.778 -0.844 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.333 0.686 -10.676 1.00 0.00 H new ATOM 162 N CYS A 10 1.310 0.975 -7.226 1.00 0.00 N ATOM 163 CA CYS A 10 2.540 1.445 -6.533 1.00 0.00 C ATOM 164 C CYS A 10 3.762 0.734 -7.121 1.00 0.00 C ATOM 165 O CYS A 10 4.043 -0.403 -6.799 1.00 0.00 O ATOM 166 CB CYS A 10 2.437 1.128 -5.040 1.00 0.00 C ATOM 167 SG CYS A 10 3.795 1.936 -4.155 1.00 0.00 S ATOM 0 H CYS A 10 1.062 -0.000 -7.058 1.00 0.00 H new ATOM 0 HA CYS A 10 2.645 2.521 -6.671 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.479 1.472 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.477 0.050 -4.883 1.00 0.00 H new ATOM 0 HG CYS A 10 3.396 2.275 -2.965 1.00 0.00 H new ATOM 173 N PRO A 11 4.480 1.407 -7.979 1.00 0.00 N ATOM 174 CA PRO A 11 5.707 0.853 -8.618 1.00 0.00 C ATOM 175 C PRO A 11 6.720 0.347 -7.585 1.00 0.00 C ATOM 176 O PRO A 11 7.482 -0.561 -7.843 1.00 0.00 O ATOM 177 CB PRO A 11 6.282 2.039 -9.392 1.00 0.00 C ATOM 178 CG PRO A 11 5.132 2.964 -9.616 1.00 0.00 C ATOM 179 CD PRO A 11 4.193 2.776 -8.434 1.00 0.00 C ATOM 0 HA PRO A 11 5.482 -0.009 -9.246 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.075 2.529 -8.827 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.717 1.717 -10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.472 3.998 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.626 2.735 -10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.385 3.508 -7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.150 2.890 -8.728 1.00 0.00 H new ATOM 187 N ALA A 12 6.729 0.930 -6.416 1.00 0.00 N ATOM 188 CA ALA A 12 7.692 0.482 -5.371 1.00 0.00 C ATOM 189 C ALA A 12 7.347 -0.944 -4.936 1.00 0.00 C ATOM 190 O ALA A 12 8.187 -1.677 -4.454 1.00 0.00 O ATOM 191 CB ALA A 12 7.605 1.418 -4.163 1.00 0.00 C ATOM 0 H ALA A 12 6.113 1.695 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 12 8.704 0.503 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.309 1.091 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.850 2.434 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.593 1.396 -3.758 1.00 0.00 H new ATOM 197 N LEU A 13 6.115 -1.342 -5.101 1.00 0.00 N ATOM 198 CA LEU A 13 5.716 -2.718 -4.694 1.00 0.00 C ATOM 199 C LEU A 13 5.767 -3.646 -5.909 1.00 0.00 C ATOM 200 O LEU A 13 5.659 -3.209 -7.038 1.00 0.00 O ATOM 201 CB LEU A 13 4.293 -2.692 -4.131 1.00 0.00 C ATOM 202 CG LEU A 13 4.323 -2.178 -2.691 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.245 -0.961 -2.601 1.00 0.00 C ATOM 204 CD2 LEU A 13 2.909 -1.778 -2.265 1.00 0.00 C ATOM 0 H LEU A 13 5.368 -0.773 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 13 6.402 -3.083 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.660 -2.051 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.860 -3.692 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 13 4.694 -2.963 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.266 -0.595 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.252 -1.244 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.875 -0.175 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.928 -1.411 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.539 -0.993 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.251 -2.645 -2.328 1.00 0.00 H new ATOM 216 N PRO A 14 5.927 -4.920 -5.674 1.00 0.00 N ATOM 217 CA PRO A 14 5.979 -5.941 -6.759 1.00 0.00 C ATOM 218 C PRO A 14 4.701 -5.955 -7.601 1.00 0.00 C ATOM 219 O PRO A 14 3.613 -5.760 -7.097 1.00 0.00 O ATOM 220 CB PRO A 14 6.139 -7.264 -6.008 1.00 0.00 C ATOM 221 CG PRO A 14 6.650 -6.896 -4.655 1.00 0.00 C ATOM 222 CD PRO A 14 6.080 -5.524 -4.343 1.00 0.00 C ATOM 0 HA PRO A 14 6.786 -5.742 -7.464 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.188 -7.793 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.835 -7.926 -6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.336 -7.626 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.740 -6.876 -4.643 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.127 -5.593 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.751 -4.942 -3.710 1.00 0.00 H new ATOM 230 N GLN A 15 4.824 -6.185 -8.880 1.00 0.00 N ATOM 231 CA GLN A 15 3.616 -6.220 -9.750 1.00 0.00 C ATOM 232 C GLN A 15 2.544 -7.097 -9.100 1.00 0.00 C ATOM 233 O GLN A 15 2.800 -8.218 -8.705 1.00 0.00 O ATOM 234 CB GLN A 15 3.987 -6.799 -11.117 1.00 0.00 C ATOM 235 CG GLN A 15 2.773 -6.737 -12.047 1.00 0.00 C ATOM 236 CD GLN A 15 2.390 -5.275 -12.286 1.00 0.00 C ATOM 237 OE1 GLN A 15 3.245 -4.437 -12.490 1.00 0.00 O ATOM 238 NE2 GLN A 15 1.130 -4.934 -12.269 1.00 0.00 N ATOM 0 H GLN A 15 5.709 -6.350 -9.359 1.00 0.00 H new ATOM 0 HA GLN A 15 3.231 -5.208 -9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.817 -6.238 -11.548 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.322 -7.831 -11.008 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.002 -7.224 -12.995 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.935 -7.276 -11.606 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.413 -5.639 -12.098 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.862 -3.963 -12.427 1.00 0.00 H new ATOM 247 N GLY A 16 1.343 -6.598 -8.984 1.00 0.00 N ATOM 248 CA GLY A 16 0.261 -7.398 -8.346 1.00 0.00 C ATOM 249 C GLY A 16 -0.256 -6.665 -7.108 1.00 0.00 C ATOM 250 O GLY A 16 -1.360 -6.895 -6.654 1.00 0.00 O ATOM 0 H GLY A 16 1.065 -5.670 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.553 -7.557 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.638 -8.382 -8.068 1.00 0.00 H new ATOM 254 N TRP A 17 0.532 -5.784 -6.556 1.00 0.00 N ATOM 255 CA TRP A 17 0.082 -5.035 -5.349 1.00 0.00 C ATOM 256 C TRP A 17 -0.763 -3.834 -5.780 1.00 0.00 C ATOM 257 O TRP A 17 -0.587 -3.291 -6.853 1.00 0.00 O ATOM 258 CB TRP A 17 1.304 -4.544 -4.569 1.00 0.00 C ATOM 259 CG TRP A 17 2.002 -5.714 -3.951 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.413 -6.815 -4.620 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.374 -5.918 -2.558 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.016 -7.683 -3.727 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.017 -7.174 -2.444 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.220 -5.143 -1.394 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.488 -7.645 -1.218 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.694 -5.614 -0.158 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.327 -6.862 -0.070 1.00 0.00 C ATOM 0 H TRP A 17 1.468 -5.550 -6.888 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.515 -5.691 -4.715 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.983 -4.011 -5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.997 -3.840 -3.796 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.291 -6.989 -5.679 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.411 -8.587 -3.985 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.734 -4.180 -1.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.974 -8.608 -1.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.570 -5.011 0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.690 -7.218 0.883 1.00 0.00 H new ATOM 278 N GLU A 18 -1.680 -3.415 -4.952 1.00 0.00 N ATOM 279 CA GLU A 18 -2.544 -2.258 -5.321 1.00 0.00 C ATOM 280 C GLU A 18 -2.531 -1.230 -4.188 1.00 0.00 C ATOM 281 O GLU A 18 -2.451 -1.574 -3.025 1.00 0.00 O ATOM 282 CB GLU A 18 -3.976 -2.744 -5.552 1.00 0.00 C ATOM 283 CG GLU A 18 -4.016 -3.648 -6.786 1.00 0.00 C ATOM 284 CD GLU A 18 -5.439 -4.179 -6.983 1.00 0.00 C ATOM 285 OE1 GLU A 18 -6.298 -3.823 -6.194 1.00 0.00 O ATOM 286 OE2 GLU A 18 -5.642 -4.935 -7.920 1.00 0.00 O ATOM 0 H GLU A 18 -1.868 -3.823 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.165 -1.798 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.332 -3.289 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.642 -1.893 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.698 -3.092 -7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.320 -4.478 -6.665 1.00 0.00 H new ATOM 293 N ARG A 19 -2.611 0.030 -4.517 1.00 0.00 N ATOM 294 CA ARG A 19 -2.629 1.078 -3.458 1.00 0.00 C ATOM 295 C ARG A 19 -3.828 2.003 -3.676 1.00 0.00 C ATOM 296 O ARG A 19 -3.991 2.586 -4.729 1.00 0.00 O ATOM 297 CB ARG A 19 -1.336 1.894 -3.527 1.00 0.00 C ATOM 298 CG ARG A 19 -1.350 2.964 -2.434 1.00 0.00 C ATOM 299 CD ARG A 19 -0.110 3.850 -2.570 1.00 0.00 C ATOM 300 NE ARG A 19 -0.122 4.890 -1.503 1.00 0.00 N ATOM 301 CZ ARG A 19 -0.756 6.015 -1.695 1.00 0.00 C ATOM 302 NH1 ARG A 19 -1.381 6.226 -2.821 1.00 0.00 N ATOM 303 NH2 ARG A 19 -0.766 6.926 -0.762 1.00 0.00 N ATOM 0 H ARG A 19 -2.665 0.379 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.709 0.605 -2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.473 1.240 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.240 2.361 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.253 3.569 -2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.368 2.494 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.793 3.244 -2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.093 4.322 -3.552 1.00 0.00 H new ATOM 0 HE ARG A 19 0.365 4.723 -0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.374 5.512 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.877 7.104 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.278 6.760 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.261 7.805 -0.913 1.00 0.00 H new ATOM 317 N GLU A 20 -4.670 2.141 -2.688 1.00 0.00 N ATOM 318 CA GLU A 20 -5.859 3.026 -2.843 1.00 0.00 C ATOM 319 C GLU A 20 -5.964 3.958 -1.634 1.00 0.00 C ATOM 320 O GLU A 20 -5.746 3.557 -0.508 1.00 0.00 O ATOM 321 CB GLU A 20 -7.124 2.168 -2.935 1.00 0.00 C ATOM 322 CG GLU A 20 -7.089 1.087 -1.852 1.00 0.00 C ATOM 323 CD GLU A 20 -8.349 0.224 -1.951 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.483 -0.482 -2.935 1.00 0.00 O ATOM 325 OE2 GLU A 20 -9.157 0.285 -1.040 1.00 0.00 O ATOM 0 H GLU A 20 -4.586 1.680 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.754 3.619 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.009 2.792 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.193 1.708 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.200 0.467 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.027 1.547 -0.866 1.00 0.00 H new ATOM 332 N GLU A 21 -6.293 5.200 -1.860 1.00 0.00 N ATOM 333 CA GLU A 21 -6.411 6.160 -0.725 1.00 0.00 C ATOM 334 C GLU A 21 -7.868 6.226 -0.264 1.00 0.00 C ATOM 335 O GLU A 21 -8.784 6.148 -1.058 1.00 0.00 O ATOM 336 CB GLU A 21 -5.955 7.547 -1.181 1.00 0.00 C ATOM 337 CG GLU A 21 -5.947 8.502 0.014 1.00 0.00 C ATOM 338 CD GLU A 21 -5.495 9.889 -0.443 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.980 10.343 -1.466 1.00 0.00 O ATOM 340 OE2 GLU A 21 -4.670 10.475 0.238 1.00 0.00 O ATOM 0 H GLU A 21 -6.485 5.592 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.784 5.826 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.959 7.488 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.622 7.924 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.943 8.559 0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.278 8.127 0.788 1.00 0.00 H new ATOM 347 N VAL A 22 -8.091 6.370 1.013 1.00 0.00 N ATOM 348 CA VAL A 22 -9.490 6.424 1.523 1.00 0.00 C ATOM 349 C VAL A 22 -9.680 7.685 2.368 1.00 0.00 C ATOM 350 O VAL A 22 -8.848 8.023 3.189 1.00 0.00 O ATOM 351 CB VAL A 22 -9.768 5.188 2.381 1.00 0.00 C ATOM 352 CG1 VAL A 22 -11.226 5.204 2.841 1.00 0.00 C ATOM 353 CG2 VAL A 22 -9.509 3.927 1.555 1.00 0.00 C ATOM 0 H VAL A 22 -7.365 6.453 1.725 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.182 6.446 0.681 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.112 5.195 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.424 4.324 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.412 6.103 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.882 5.197 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.707 3.046 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.165 3.921 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.470 3.915 1.226 1.00 0.00 H new ATOM 363 N PRO A 23 -10.771 8.371 2.167 1.00 0.00 N ATOM 364 CA PRO A 23 -11.090 9.619 2.916 1.00 0.00 C ATOM 365 C PRO A 23 -11.316 9.357 4.409 1.00 0.00 C ATOM 366 O PRO A 23 -11.722 8.281 4.805 1.00 0.00 O ATOM 367 CB PRO A 23 -12.380 10.113 2.261 1.00 0.00 C ATOM 368 CG PRO A 23 -12.987 8.907 1.621 1.00 0.00 C ATOM 369 CD PRO A 23 -11.823 8.029 1.198 1.00 0.00 C ATOM 0 HA PRO A 23 -10.273 10.339 2.871 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.054 10.547 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -12.174 10.888 1.523 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.639 8.381 2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.598 9.186 0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.081 6.971 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.511 8.240 0.175 1.00 0.00 H new ATOM 377 N ARG A 24 -11.055 10.328 5.238 1.00 0.00 N ATOM 378 CA ARG A 24 -11.234 10.125 6.704 1.00 0.00 C ATOM 379 C ARG A 24 -12.693 9.769 6.996 1.00 0.00 C ATOM 380 O ARG A 24 -13.510 10.627 7.264 1.00 0.00 O ATOM 381 CB ARG A 24 -10.864 11.411 7.446 1.00 0.00 C ATOM 382 CG ARG A 24 -11.300 12.622 6.620 1.00 0.00 C ATOM 383 CD ARG A 24 -12.069 13.599 7.511 1.00 0.00 C ATOM 384 NE ARG A 24 -13.350 12.973 7.944 1.00 0.00 N ATOM 385 CZ ARG A 24 -14.407 13.054 7.184 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.344 13.684 6.043 1.00 0.00 N ATOM 387 NH2 ARG A 24 -15.528 12.507 7.565 1.00 0.00 N ATOM 0 H ARG A 24 -10.725 11.254 4.965 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.588 9.313 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.347 11.431 8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.789 11.445 7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.428 13.115 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.927 12.301 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.469 13.864 8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.268 14.523 6.968 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.400 12.481 8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.468 14.113 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.171 13.747 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.578 12.016 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.354 12.571 6.971 1.00 0.00 H new ATOM 490 N HIS A 32 -7.704 13.733 7.770 1.00 0.00 N ATOM 491 CA HIS A 32 -6.837 13.625 6.563 1.00 0.00 C ATOM 492 C HIS A 32 -7.259 12.408 5.739 1.00 0.00 C ATOM 493 O HIS A 32 -8.344 11.885 5.897 1.00 0.00 O ATOM 494 CB HIS A 32 -5.378 13.467 6.997 1.00 0.00 C ATOM 495 CG HIS A 32 -4.913 14.731 7.666 1.00 0.00 C ATOM 496 ND1 HIS A 32 -4.934 14.889 9.046 1.00 0.00 N ATOM 497 CD2 HIS A 32 -4.412 15.905 7.161 1.00 0.00 C ATOM 498 CE1 HIS A 32 -4.459 16.118 9.319 1.00 0.00 C ATOM 499 NE2 HIS A 32 -4.128 16.775 8.207 1.00 0.00 N ATOM 0 HA HIS A 32 -6.941 14.526 5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.280 12.624 7.681 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.752 13.250 6.132 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.262 16.119 6.113 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.358 16.522 10.315 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.746 17.718 8.138 1.00 0.00 H new ATOM 508 N ARG A 33 -6.410 11.953 4.857 1.00 0.00 N ATOM 509 CA ARG A 33 -6.762 10.768 4.027 1.00 0.00 C ATOM 510 C ARG A 33 -5.880 9.585 4.428 1.00 0.00 C ATOM 511 O ARG A 33 -4.670 9.686 4.474 1.00 0.00 O ATOM 512 CB ARG A 33 -6.537 11.094 2.549 1.00 0.00 C ATOM 513 CG ARG A 33 -7.573 12.122 2.089 1.00 0.00 C ATOM 514 CD ARG A 33 -7.334 12.462 0.617 1.00 0.00 C ATOM 515 NE ARG A 33 -8.376 13.422 0.155 1.00 0.00 N ATOM 516 CZ ARG A 33 -8.191 14.706 0.300 1.00 0.00 C ATOM 517 NH1 ARG A 33 -7.095 15.148 0.852 1.00 0.00 N ATOM 518 NH2 ARG A 33 -9.103 15.547 -0.105 1.00 0.00 N ATOM 0 H ARG A 33 -5.489 12.351 4.676 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.809 10.511 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.530 11.485 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.618 10.187 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.579 11.725 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.502 13.023 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.342 12.895 0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.366 11.555 0.013 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.234 13.076 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.383 14.490 1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.950 16.151 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.961 15.201 -0.535 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.958 16.550 0.009 1.00 0.00 H new ATOM 532 N ASP A 34 -6.475 8.460 4.719 1.00 0.00 N ATOM 533 CA ASP A 34 -5.670 7.274 5.126 1.00 0.00 C ATOM 534 C ASP A 34 -5.327 6.442 3.889 1.00 0.00 C ATOM 535 O ASP A 34 -6.138 6.269 3.001 1.00 0.00 O ATOM 536 CB ASP A 34 -6.478 6.421 6.107 1.00 0.00 C ATOM 537 CG ASP A 34 -6.656 7.183 7.420 1.00 0.00 C ATOM 538 OD1 ASP A 34 -5.911 8.124 7.642 1.00 0.00 O ATOM 539 OD2 ASP A 34 -7.534 6.814 8.184 1.00 0.00 O ATOM 0 H ASP A 34 -7.484 8.311 4.692 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.750 7.607 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.451 6.180 5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.967 5.476 6.289 1.00 0.00 H new ATOM 544 N VAL A 35 -4.131 5.925 3.824 1.00 0.00 N ATOM 545 CA VAL A 35 -3.736 5.106 2.643 1.00 0.00 C ATOM 546 C VAL A 35 -3.698 3.628 3.038 1.00 0.00 C ATOM 547 O VAL A 35 -3.144 3.262 4.055 1.00 0.00 O ATOM 548 CB VAL A 35 -2.351 5.541 2.161 1.00 0.00 C ATOM 549 CG1 VAL A 35 -2.031 4.847 0.835 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.336 7.057 1.957 1.00 0.00 C ATOM 0 H VAL A 35 -3.410 6.034 4.537 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.461 5.250 1.842 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.604 5.266 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.044 5.157 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.043 3.766 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.778 5.123 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.349 7.368 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.083 7.331 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.565 7.553 2.900 1.00 0.00 H new ATOM 560 N PHE A 36 -4.285 2.777 2.242 1.00 0.00 N ATOM 561 CA PHE A 36 -4.274 1.323 2.570 1.00 0.00 C ATOM 562 C PHE A 36 -3.604 0.549 1.432 1.00 0.00 C ATOM 563 O PHE A 36 -3.771 0.865 0.271 1.00 0.00 O ATOM 564 CB PHE A 36 -5.711 0.829 2.745 1.00 0.00 C ATOM 565 CG PHE A 36 -6.273 1.367 4.040 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.039 0.685 5.239 1.00 0.00 C ATOM 567 CD2 PHE A 36 -7.028 2.545 4.039 1.00 0.00 C ATOM 568 CE1 PHE A 36 -6.560 1.183 6.440 1.00 0.00 C ATOM 569 CE2 PHE A 36 -7.549 3.044 5.239 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.315 2.362 6.440 1.00 0.00 C ATOM 0 H PHE A 36 -4.771 3.025 1.380 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.720 1.163 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.324 1.157 1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.734 -0.261 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.457 -0.225 5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.209 3.069 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.379 0.657 7.366 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.131 3.954 5.239 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.717 2.746 7.366 1.00 0.00 H new ATOM 580 N TYR A 37 -2.846 -0.462 1.757 1.00 0.00 N ATOM 581 CA TYR A 37 -2.160 -1.250 0.696 1.00 0.00 C ATOM 582 C TYR A 37 -2.756 -2.657 0.638 1.00 0.00 C ATOM 583 O TYR A 37 -3.158 -3.213 1.642 1.00 0.00 O ATOM 584 CB TYR A 37 -0.665 -1.342 1.013 1.00 0.00 C ATOM 585 CG TYR A 37 -0.003 -0.021 0.701 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.125 1.051 1.593 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.731 0.131 -0.482 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.489 2.277 1.302 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.344 1.356 -0.772 1.00 0.00 C ATOM 590 CZ TYR A 37 1.224 2.428 0.120 1.00 0.00 C ATOM 591 OH TYR A 37 1.829 3.635 -0.167 1.00 0.00 O ATOM 0 H TYR A 37 -2.672 -0.776 2.712 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.298 -0.758 -0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.520 -1.595 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.206 -2.138 0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.692 0.933 2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.824 -0.696 -1.170 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.395 3.105 1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.910 1.474 -1.684 1.00 0.00 H new ATOM 0 HH TYR A 37 2.755 3.478 -0.446 1.00 0.00 H new ATOM 601 N TYR A 38 -2.820 -3.239 -0.528 1.00 0.00 N ATOM 602 CA TYR A 38 -3.384 -4.613 -0.646 1.00 0.00 C ATOM 603 C TYR A 38 -2.382 -5.517 -1.367 1.00 0.00 C ATOM 604 O TYR A 38 -1.740 -5.115 -2.318 1.00 0.00 O ATOM 605 CB TYR A 38 -4.688 -4.559 -1.444 1.00 0.00 C ATOM 606 CG TYR A 38 -5.725 -3.788 -0.663 1.00 0.00 C ATOM 607 CD1 TYR A 38 -5.745 -2.389 -0.721 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.665 -4.471 0.119 1.00 0.00 C ATOM 609 CE1 TYR A 38 -6.707 -1.673 0.003 1.00 0.00 C ATOM 610 CE2 TYR A 38 -7.626 -3.754 0.842 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.647 -2.355 0.784 1.00 0.00 C ATOM 612 OH TYR A 38 -8.594 -1.650 1.499 1.00 0.00 O ATOM 0 H TYR A 38 -2.506 -2.822 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.581 -5.012 0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.516 -4.083 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.046 -5.569 -1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.019 -1.863 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.649 -5.550 0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.723 -0.594 -0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.351 -4.280 1.445 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.932 -0.910 0.953 1.00 0.00 H new ATOM 622 N SER A 39 -2.243 -6.736 -0.924 1.00 0.00 N ATOM 623 CA SER A 39 -1.289 -7.666 -1.589 1.00 0.00 C ATOM 624 C SER A 39 -2.060 -8.607 -2.519 1.00 0.00 C ATOM 625 O SER A 39 -3.268 -8.718 -2.441 1.00 0.00 O ATOM 626 CB SER A 39 -0.555 -8.488 -0.529 1.00 0.00 C ATOM 627 OG SER A 39 -0.690 -9.871 -0.830 1.00 0.00 O ATOM 0 H SER A 39 -2.749 -7.128 -0.130 1.00 0.00 H new ATOM 0 HA SER A 39 -0.566 -7.092 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.499 -8.211 -0.503 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.965 -8.277 0.459 1.00 0.00 H new ATOM 0 HG SER A 39 -1.167 -10.319 -0.101 1.00 0.00 H new ATOM 633 N PRO A 40 -1.358 -9.277 -3.393 1.00 0.00 N ATOM 634 CA PRO A 40 -1.971 -10.234 -4.358 1.00 0.00 C ATOM 635 C PRO A 40 -2.733 -11.361 -3.653 1.00 0.00 C ATOM 636 O PRO A 40 -3.569 -12.019 -4.239 1.00 0.00 O ATOM 637 CB PRO A 40 -0.774 -10.797 -5.125 1.00 0.00 C ATOM 638 CG PRO A 40 0.419 -10.488 -4.282 1.00 0.00 C ATOM 639 CD PRO A 40 0.101 -9.192 -3.554 1.00 0.00 C ATOM 0 HA PRO A 40 -2.707 -9.746 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.877 -11.871 -5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.688 -10.339 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.615 -11.294 -3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.312 -10.380 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.614 -9.128 -2.594 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.397 -8.317 -4.133 1.00 0.00 H new ATOM 647 N SER A 41 -2.449 -11.587 -2.399 1.00 0.00 N ATOM 648 CA SER A 41 -3.161 -12.666 -1.657 1.00 0.00 C ATOM 649 C SER A 41 -4.419 -12.090 -1.004 1.00 0.00 C ATOM 650 O SER A 41 -5.171 -12.792 -0.357 1.00 0.00 O ATOM 651 CB SER A 41 -2.240 -13.234 -0.578 1.00 0.00 C ATOM 652 OG SER A 41 -1.508 -12.174 0.021 1.00 0.00 O ATOM 0 H SER A 41 -1.755 -11.072 -1.857 1.00 0.00 H new ATOM 0 HA SER A 41 -3.442 -13.460 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.826 -13.759 0.177 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.556 -13.962 -1.014 1.00 0.00 H new ATOM 0 HG SER A 41 -0.917 -12.535 0.714 1.00 0.00 H new ATOM 658 N GLY A 42 -4.656 -10.818 -1.167 1.00 0.00 N ATOM 659 CA GLY A 42 -5.863 -10.198 -0.549 1.00 0.00 C ATOM 660 C GLY A 42 -5.540 -9.768 0.882 1.00 0.00 C ATOM 661 O GLY A 42 -6.423 -9.485 1.668 1.00 0.00 O ATOM 0 H GLY A 42 -4.066 -10.180 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.183 -9.337 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.690 -10.908 -0.549 1.00 0.00 H new ATOM 665 N LYS A 43 -4.283 -9.718 1.228 1.00 0.00 N ATOM 666 CA LYS A 43 -3.907 -9.314 2.611 1.00 0.00 C ATOM 667 C LYS A 43 -3.952 -7.789 2.728 1.00 0.00 C ATOM 668 O LYS A 43 -3.219 -7.085 2.063 1.00 0.00 O ATOM 669 CB LYS A 43 -2.492 -9.807 2.920 1.00 0.00 C ATOM 670 CG LYS A 43 -2.062 -9.298 4.297 1.00 0.00 C ATOM 671 CD LYS A 43 -0.629 -9.750 4.586 1.00 0.00 C ATOM 672 CE LYS A 43 -0.143 -9.112 5.888 1.00 0.00 C ATOM 673 NZ LYS A 43 1.219 -9.623 6.214 1.00 0.00 N ATOM 0 H LYS A 43 -3.500 -9.940 0.612 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.608 -9.754 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.462 -10.896 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.798 -9.454 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.125 -8.210 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.736 -9.679 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.588 -10.836 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.026 -9.465 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.121 -8.027 5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.834 -9.344 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.550 -9.189 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.184 -10.656 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.874 -9.380 5.444 1.00 0.00 H new ATOM 687 N LYS A 44 -4.808 -7.274 3.568 1.00 0.00 N ATOM 688 CA LYS A 44 -4.879 -5.795 3.746 1.00 0.00 C ATOM 689 C LYS A 44 -3.967 -5.378 4.901 1.00 0.00 C ATOM 690 O LYS A 44 -4.038 -5.917 5.987 1.00 0.00 O ATOM 691 CB LYS A 44 -6.320 -5.389 4.059 1.00 0.00 C ATOM 692 CG LYS A 44 -6.389 -3.873 4.264 1.00 0.00 C ATOM 693 CD LYS A 44 -7.836 -3.460 4.539 1.00 0.00 C ATOM 694 CE LYS A 44 -7.912 -1.942 4.707 1.00 0.00 C ATOM 695 NZ LYS A 44 -7.348 -1.560 6.032 1.00 0.00 N ATOM 0 H LYS A 44 -5.460 -7.812 4.138 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.554 -5.301 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.979 -5.687 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.668 -5.904 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.751 -3.579 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.015 -3.358 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.478 -3.778 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.201 -3.955 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.358 -1.449 3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.947 -1.608 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.871 -0.639 5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.116 -1.494 6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.663 -2.280 6.338 1.00 0.00 H new ATOM 709 N PHE A 45 -3.112 -4.417 4.677 1.00 0.00 N ATOM 710 CA PHE A 45 -2.192 -3.970 5.760 1.00 0.00 C ATOM 711 C PHE A 45 -2.070 -2.446 5.728 1.00 0.00 C ATOM 712 O PHE A 45 -2.132 -1.830 4.682 1.00 0.00 O ATOM 713 CB PHE A 45 -0.812 -4.597 5.549 1.00 0.00 C ATOM 714 CG PHE A 45 -0.481 -4.600 4.077 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.156 -5.467 3.209 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.501 -3.736 3.579 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.848 -5.471 1.843 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.809 -3.739 2.212 1.00 0.00 C ATOM 719 CZ PHE A 45 0.135 -4.606 1.344 1.00 0.00 C ATOM 0 H PHE A 45 -3.011 -3.923 3.791 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.589 -4.283 6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.058 -4.036 6.101 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.800 -5.615 5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.914 -6.133 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.021 -3.067 4.248 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.368 -6.141 1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.567 -3.072 1.828 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.372 -4.608 0.290 1.00 0.00 H new ATOM 729 N ARG A 46 -1.897 -1.830 6.865 1.00 0.00 N ATOM 730 CA ARG A 46 -1.763 -0.346 6.898 1.00 0.00 C ATOM 731 C ARG A 46 -0.642 0.045 7.863 1.00 0.00 C ATOM 732 O ARG A 46 -0.867 0.714 8.851 1.00 0.00 O ATOM 733 CB ARG A 46 -3.081 0.274 7.368 1.00 0.00 C ATOM 734 CG ARG A 46 -3.265 1.641 6.707 1.00 0.00 C ATOM 735 CD ARG A 46 -2.182 2.600 7.203 1.00 0.00 C ATOM 736 NE ARG A 46 -2.184 2.622 8.694 1.00 0.00 N ATOM 737 CZ ARG A 46 -1.244 3.260 9.337 1.00 0.00 C ATOM 738 NH1 ARG A 46 -0.305 3.879 8.677 1.00 0.00 N ATOM 739 NH2 ARG A 46 -1.245 3.279 10.643 1.00 0.00 N ATOM 0 H ARG A 46 -1.843 -2.291 7.773 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.525 0.019 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.915 -0.380 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.079 0.380 8.453 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.209 1.543 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.252 2.039 6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.206 2.285 6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.362 3.602 6.813 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.919 2.139 9.211 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.304 3.865 7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.429 4.377 9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.980 2.796 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.511 3.777 11.146 1.00 0.00 H new ATOM 753 N SER A 47 0.564 -0.368 7.584 1.00 0.00 N ATOM 754 CA SER A 47 1.697 -0.017 8.484 1.00 0.00 C ATOM 755 C SER A 47 2.988 0.074 7.666 1.00 0.00 C ATOM 756 O SER A 47 3.287 -0.784 6.862 1.00 0.00 O ATOM 757 CB SER A 47 1.851 -1.094 9.557 1.00 0.00 C ATOM 758 OG SER A 47 0.569 -1.615 9.885 1.00 0.00 O ATOM 0 H SER A 47 0.813 -0.933 6.772 1.00 0.00 H new ATOM 0 HA SER A 47 1.498 0.943 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.500 -1.892 9.197 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.324 -0.675 10.445 1.00 0.00 H new ATOM 0 HG SER A 47 0.663 -2.307 10.572 1.00 0.00 H new ATOM 764 N LYS A 48 3.756 1.111 7.867 1.00 0.00 N ATOM 765 CA LYS A 48 5.022 1.260 7.094 1.00 0.00 C ATOM 766 C LYS A 48 5.885 0.010 7.284 1.00 0.00 C ATOM 767 O LYS A 48 6.409 -0.542 6.337 1.00 0.00 O ATOM 768 CB LYS A 48 5.784 2.488 7.597 1.00 0.00 C ATOM 769 CG LYS A 48 6.063 3.432 6.426 1.00 0.00 C ATOM 770 CD LYS A 48 7.084 2.789 5.484 1.00 0.00 C ATOM 771 CE LYS A 48 7.753 3.875 4.639 1.00 0.00 C ATOM 772 NZ LYS A 48 8.786 4.572 5.453 1.00 0.00 N ATOM 0 H LYS A 48 3.562 1.860 8.532 1.00 0.00 H new ATOM 0 HA LYS A 48 4.791 1.384 6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.202 3.002 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.721 2.182 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.139 3.644 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.443 4.385 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.835 2.247 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.591 2.062 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.210 3.432 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.008 4.589 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.408 5.123 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.322 5.211 6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.351 3.870 5.972 1.00 0.00 H new ATOM 786 N PRO A 49 6.028 -0.428 8.506 1.00 0.00 N ATOM 787 CA PRO A 49 6.842 -1.630 8.843 1.00 0.00 C ATOM 788 C PRO A 49 6.422 -2.860 8.033 1.00 0.00 C ATOM 789 O PRO A 49 7.238 -3.680 7.662 1.00 0.00 O ATOM 790 CB PRO A 49 6.567 -1.852 10.331 1.00 0.00 C ATOM 791 CG PRO A 49 6.149 -0.520 10.862 1.00 0.00 C ATOM 792 CD PRO A 49 5.425 0.181 9.700 1.00 0.00 C ATOM 0 HA PRO A 49 7.897 -1.480 8.613 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.785 -2.597 10.479 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.456 -2.218 10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.491 -0.631 11.724 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.012 0.059 11.192 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.349 0.012 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.580 1.260 9.723 1.00 0.00 H new ATOM 800 N GLN A 50 5.153 -2.994 7.756 1.00 0.00 N ATOM 801 CA GLN A 50 4.684 -4.169 6.967 1.00 0.00 C ATOM 802 C GLN A 50 5.223 -4.075 5.540 1.00 0.00 C ATOM 803 O GLN A 50 5.574 -5.066 4.931 1.00 0.00 O ATOM 804 CB GLN A 50 3.153 -4.182 6.935 1.00 0.00 C ATOM 805 CG GLN A 50 2.620 -4.834 8.211 1.00 0.00 C ATOM 806 CD GLN A 50 2.814 -6.349 8.130 1.00 0.00 C ATOM 807 OE1 GLN A 50 2.743 -7.037 9.129 1.00 0.00 O ATOM 808 NE2 GLN A 50 3.060 -6.902 6.973 1.00 0.00 N ATOM 0 H GLN A 50 4.422 -2.342 8.041 1.00 0.00 H new ATOM 0 HA GLN A 50 5.047 -5.086 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.772 -3.164 6.848 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.802 -4.730 6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.142 -4.436 9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.563 -4.598 8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.120 -6.325 6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.192 -7.911 6.908 1.00 0.00 H new ATOM 817 N LEU A 51 5.295 -2.889 4.999 1.00 0.00 N ATOM 818 CA LEU A 51 5.792 -2.735 3.603 1.00 0.00 C ATOM 819 C LEU A 51 7.272 -3.122 3.543 1.00 0.00 C ATOM 820 O LEU A 51 7.673 -3.955 2.755 1.00 0.00 O ATOM 821 CB LEU A 51 5.628 -1.279 3.161 1.00 0.00 C ATOM 822 CG LEU A 51 4.203 -1.056 2.657 1.00 0.00 C ATOM 823 CD1 LEU A 51 4.029 -1.735 1.297 1.00 0.00 C ATOM 824 CD2 LEU A 51 3.210 -1.654 3.656 1.00 0.00 C ATOM 0 H LEU A 51 5.031 -2.020 5.464 1.00 0.00 H new ATOM 0 HA LEU A 51 5.219 -3.383 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.839 -0.609 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.344 -1.044 2.374 1.00 0.00 H new ATOM 0 HG LEU A 51 4.018 0.013 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.012 -1.576 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.736 -1.310 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.215 -2.804 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.193 -1.495 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.396 -2.723 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.333 -1.170 4.625 1.00 0.00 H new ATOM 836 N ALA A 52 8.085 -2.524 4.371 1.00 0.00 N ATOM 837 CA ALA A 52 9.542 -2.835 4.337 1.00 0.00 C ATOM 838 C ALA A 52 9.767 -4.279 4.790 1.00 0.00 C ATOM 839 O ALA A 52 10.479 -5.034 4.159 1.00 0.00 O ATOM 840 CB ALA A 52 10.287 -1.884 5.276 1.00 0.00 C ATOM 0 H ALA A 52 7.804 -1.835 5.068 1.00 0.00 H new ATOM 0 HA ALA A 52 9.917 -2.711 3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.353 -2.110 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.127 -0.855 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.912 -2.008 6.292 1.00 0.00 H new ATOM 846 N ARG A 53 9.163 -4.669 5.880 1.00 0.00 N ATOM 847 CA ARG A 53 9.364 -6.057 6.386 1.00 0.00 C ATOM 848 C ARG A 53 8.918 -7.058 5.319 1.00 0.00 C ATOM 849 O ARG A 53 9.595 -8.030 5.046 1.00 0.00 O ATOM 850 CB ARG A 53 8.536 -6.260 7.655 1.00 0.00 C ATOM 851 CG ARG A 53 8.819 -7.649 8.234 1.00 0.00 C ATOM 852 CD ARG A 53 8.182 -7.765 9.620 1.00 0.00 C ATOM 853 NE ARG A 53 6.701 -7.647 9.497 1.00 0.00 N ATOM 854 CZ ARG A 53 5.979 -7.376 10.550 1.00 0.00 C ATOM 855 NH1 ARG A 53 6.553 -7.210 11.710 1.00 0.00 N ATOM 856 NH2 ARG A 53 4.683 -7.274 10.442 1.00 0.00 N ATOM 0 H ARG A 53 8.540 -4.088 6.441 1.00 0.00 H new ATOM 0 HA ARG A 53 10.419 -6.214 6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.781 -5.492 8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.475 -6.158 7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.419 -8.418 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.894 -7.814 8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.445 -8.720 10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.567 -6.984 10.275 1.00 0.00 H new ATOM 0 HE ARG A 53 6.252 -7.778 8.590 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.566 -7.292 11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.988 -6.998 12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.235 -7.406 9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.118 -7.062 11.264 1.00 0.00 H new ATOM 870 N TYR A 54 7.785 -6.830 4.716 1.00 0.00 N ATOM 871 CA TYR A 54 7.289 -7.780 3.679 1.00 0.00 C ATOM 872 C TYR A 54 8.176 -7.686 2.435 1.00 0.00 C ATOM 873 O TYR A 54 8.707 -8.672 1.964 1.00 0.00 O ATOM 874 CB TYR A 54 5.849 -7.424 3.306 1.00 0.00 C ATOM 875 CG TYR A 54 5.197 -8.602 2.627 1.00 0.00 C ATOM 876 CD1 TYR A 54 5.569 -8.954 1.323 1.00 0.00 C ATOM 877 CD2 TYR A 54 4.221 -9.347 3.300 1.00 0.00 C ATOM 878 CE1 TYR A 54 4.966 -10.048 0.694 1.00 0.00 C ATOM 879 CE2 TYR A 54 3.616 -10.441 2.670 1.00 0.00 C ATOM 880 CZ TYR A 54 3.989 -10.792 1.367 1.00 0.00 C ATOM 881 OH TYR A 54 3.393 -11.871 0.747 1.00 0.00 O ATOM 0 H TYR A 54 7.181 -6.028 4.895 1.00 0.00 H new ATOM 0 HA TYR A 54 7.321 -8.796 4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.288 -7.150 4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.837 -6.558 2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.322 -8.380 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.935 -9.077 4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.254 -10.319 -0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.862 -11.014 3.189 1.00 0.00 H new ATOM 0 HH TYR A 54 2.739 -12.276 1.354 1.00 0.00 H new ATOM 891 N LEU A 55 8.340 -6.508 1.900 1.00 0.00 N ATOM 892 CA LEU A 55 9.182 -6.353 0.681 1.00 0.00 C ATOM 893 C LEU A 55 10.659 -6.324 1.081 1.00 0.00 C ATOM 894 O LEU A 55 11.535 -6.212 0.247 1.00 0.00 O ATOM 895 CB LEU A 55 8.819 -5.048 -0.030 1.00 0.00 C ATOM 896 CG LEU A 55 7.986 -5.357 -1.273 1.00 0.00 C ATOM 897 CD1 LEU A 55 8.837 -6.135 -2.279 1.00 0.00 C ATOM 898 CD2 LEU A 55 6.771 -6.200 -0.876 1.00 0.00 C ATOM 0 H LEU A 55 7.927 -5.645 2.255 1.00 0.00 H new ATOM 0 HA LEU A 55 9.004 -7.192 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.259 -4.399 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.725 -4.511 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 55 7.651 -4.424 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.242 -6.355 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.703 -5.537 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.173 -7.068 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.176 -6.421 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.108 -7.133 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.163 -5.647 -0.160 1.00 0.00 H new ATOM 910 N GLY A 56 10.940 -6.421 2.351 1.00 0.00 N ATOM 911 CA GLY A 56 12.361 -6.407 2.803 1.00 0.00 C ATOM 912 C GLY A 56 13.160 -7.442 2.009 1.00 0.00 C ATOM 913 O GLY A 56 12.650 -8.078 1.109 1.00 0.00 O ATOM 0 H GLY A 56 10.248 -6.509 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.789 -5.415 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.417 -6.629 3.869 1.00 0.00 H new ATOM 917 N GLY A 57 14.411 -7.615 2.334 1.00 0.00 N ATOM 918 CA GLY A 57 15.242 -8.609 1.596 1.00 0.00 C ATOM 919 C GLY A 57 14.979 -8.483 0.095 1.00 0.00 C ATOM 920 O GLY A 57 15.824 -8.041 -0.658 1.00 0.00 O ATOM 0 H GLY A 57 14.894 -7.112 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.299 -8.442 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.006 -9.618 1.934 1.00 0.00 H new ATOM 924 N SER A 58 13.813 -8.868 -0.346 1.00 0.00 N ATOM 925 CA SER A 58 13.510 -8.807 -1.803 1.00 0.00 C ATOM 926 C SER A 58 13.685 -7.370 -2.300 1.00 0.00 C ATOM 927 O SER A 58 14.042 -7.135 -3.437 1.00 0.00 O ATOM 928 CB SER A 58 12.069 -9.256 -2.044 1.00 0.00 C ATOM 929 OG SER A 58 11.183 -8.385 -1.352 1.00 0.00 O ATOM 0 H SER A 58 13.057 -9.222 0.240 1.00 0.00 H new ATOM 0 HA SER A 58 14.191 -9.465 -2.343 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.847 -9.247 -3.111 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.933 -10.281 -1.699 1.00 0.00 H new ATOM 0 HG SER A 58 11.619 -8.053 -0.539 1.00 0.00 H new ATOM 935 N MET A 59 13.438 -6.406 -1.456 1.00 0.00 N ATOM 936 CA MET A 59 13.578 -4.986 -1.885 1.00 0.00 C ATOM 937 C MET A 59 13.546 -4.076 -0.656 1.00 0.00 C ATOM 938 O MET A 59 13.078 -4.457 0.399 1.00 0.00 O ATOM 939 CB MET A 59 12.422 -4.621 -2.820 1.00 0.00 C ATOM 940 CG MET A 59 12.974 -4.291 -4.209 1.00 0.00 C ATOM 941 SD MET A 59 13.823 -2.693 -4.159 1.00 0.00 S ATOM 942 CE MET A 59 12.365 -1.654 -4.425 1.00 0.00 C ATOM 0 H MET A 59 13.145 -6.540 -0.488 1.00 0.00 H new ATOM 0 HA MET A 59 14.525 -4.856 -2.408 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.717 -5.450 -2.885 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.874 -3.767 -2.422 1.00 0.00 H new ATOM 0 HG2 MET A 59 13.663 -5.071 -4.532 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.163 -4.261 -4.936 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.469 -0.729 -3.857 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.273 -1.420 -5.486 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.474 -2.186 -4.093 1.00 0.00 H new ATOM 952 N ASP A 60 14.040 -2.874 -0.782 1.00 0.00 N ATOM 953 CA ASP A 60 14.034 -1.940 0.379 1.00 0.00 C ATOM 954 C ASP A 60 13.024 -0.820 0.126 1.00 0.00 C ATOM 955 O ASP A 60 13.034 -0.183 -0.908 1.00 0.00 O ATOM 956 CB ASP A 60 15.429 -1.339 0.558 1.00 0.00 C ATOM 957 CG ASP A 60 15.524 -0.667 1.929 1.00 0.00 C ATOM 958 OD1 ASP A 60 14.552 -0.727 2.663 1.00 0.00 O ATOM 959 OD2 ASP A 60 16.566 -0.105 2.219 1.00 0.00 O ATOM 0 H ASP A 60 14.447 -2.499 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 60 13.755 -2.484 1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 60 16.186 -2.118 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.627 -0.612 -0.230 1.00 0.00 H new ATOM 964 N LEU A 61 12.150 -0.573 1.064 1.00 0.00 N ATOM 965 CA LEU A 61 11.128 0.494 0.869 1.00 0.00 C ATOM 966 C LEU A 61 11.369 1.620 1.877 1.00 0.00 C ATOM 967 O LEU A 61 10.513 2.451 2.110 1.00 0.00 O ATOM 968 CB LEU A 61 9.731 -0.092 1.081 1.00 0.00 C ATOM 969 CG LEU A 61 9.436 -1.120 -0.011 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.069 -1.759 0.243 1.00 0.00 C ATOM 971 CD2 LEU A 61 9.426 -0.424 -1.374 1.00 0.00 C ATOM 0 H LEU A 61 12.100 -1.064 1.957 1.00 0.00 H new ATOM 0 HA LEU A 61 11.204 0.890 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.667 -0.561 2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.985 0.702 1.058 1.00 0.00 H new ATOM 0 HG LEU A 61 10.205 -1.892 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.860 -2.492 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.073 -2.253 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.299 -0.988 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.216 -1.155 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.656 0.348 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.399 0.032 -1.557 1.00 0.00 H new ATOM 983 N SER A 62 12.527 1.655 2.476 1.00 0.00 N ATOM 984 CA SER A 62 12.822 2.730 3.465 1.00 0.00 C ATOM 985 C SER A 62 12.670 4.097 2.793 1.00 0.00 C ATOM 986 O SER A 62 12.189 5.040 3.386 1.00 0.00 O ATOM 987 CB SER A 62 14.255 2.573 3.978 1.00 0.00 C ATOM 988 OG SER A 62 14.645 3.760 4.654 1.00 0.00 O ATOM 0 H SER A 62 13.282 0.986 2.324 1.00 0.00 H new ATOM 0 HA SER A 62 12.126 2.655 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.321 1.719 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.931 2.376 3.146 1.00 0.00 H new ATOM 0 HG SER A 62 15.562 3.662 4.985 1.00 0.00 H new ATOM 994 N THR A 63 13.075 4.209 1.557 1.00 0.00 N ATOM 995 CA THR A 63 12.954 5.514 0.848 1.00 0.00 C ATOM 996 C THR A 63 11.580 5.609 0.185 1.00 0.00 C ATOM 997 O THR A 63 11.371 6.390 -0.722 1.00 0.00 O ATOM 998 CB THR A 63 14.045 5.617 -0.219 1.00 0.00 C ATOM 999 OG1 THR A 63 14.083 4.413 -0.973 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.401 5.845 0.453 1.00 0.00 C ATOM 0 H THR A 63 13.484 3.453 1.008 1.00 0.00 H new ATOM 0 HA THR A 63 13.068 6.328 1.563 1.00 0.00 H new ATOM 0 HB THR A 63 13.827 6.454 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.780 4.478 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.177 5.918 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.370 6.769 1.030 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.623 5.010 1.118 1.00 0.00 H new ATOM 1008 N PHE A 64 10.640 4.820 0.628 1.00 0.00 N ATOM 1009 CA PHE A 64 9.281 4.864 0.021 1.00 0.00 C ATOM 1010 C PHE A 64 8.432 5.913 0.746 1.00 0.00 C ATOM 1011 O PHE A 64 8.386 5.956 1.959 1.00 0.00 O ATOM 1012 CB PHE A 64 8.617 3.492 0.152 1.00 0.00 C ATOM 1013 CG PHE A 64 7.210 3.559 -0.391 1.00 0.00 C ATOM 1014 CD1 PHE A 64 6.996 3.823 -1.749 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.119 3.357 0.463 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.691 3.885 -2.253 1.00 0.00 C ATOM 1017 CE2 PHE A 64 4.815 3.418 -0.041 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.600 3.682 -1.399 1.00 0.00 C ATOM 0 H PHE A 64 10.755 4.146 1.385 1.00 0.00 H new ATOM 0 HA PHE A 64 9.363 5.128 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.193 2.744 -0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.600 3.183 1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.837 3.979 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.284 3.154 1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.526 4.089 -3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.974 3.261 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.593 3.729 -1.788 1.00 0.00 H new ATOM 1028 N ASP A 65 7.762 6.757 0.011 1.00 0.00 N ATOM 1029 CA ASP A 65 6.929 7.809 0.659 1.00 0.00 C ATOM 1030 C ASP A 65 5.565 7.222 1.031 1.00 0.00 C ATOM 1031 O ASP A 65 4.762 6.901 0.177 1.00 0.00 O ATOM 1032 CB ASP A 65 6.734 8.976 -0.310 1.00 0.00 C ATOM 1033 CG ASP A 65 6.050 10.135 0.415 1.00 0.00 C ATOM 1034 OD1 ASP A 65 5.498 9.900 1.477 1.00 0.00 O ATOM 1035 OD2 ASP A 65 6.088 11.238 -0.105 1.00 0.00 O ATOM 0 H ASP A 65 7.755 6.764 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 65 7.430 8.165 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.697 9.299 -0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.131 8.659 -1.161 1.00 0.00 H new ATOM 1040 N PHE A 66 5.297 7.079 2.301 1.00 0.00 N ATOM 1041 CA PHE A 66 3.988 6.509 2.726 1.00 0.00 C ATOM 1042 C PHE A 66 2.897 7.571 2.581 1.00 0.00 C ATOM 1043 O PHE A 66 1.792 7.289 2.164 1.00 0.00 O ATOM 1044 CB PHE A 66 4.075 6.064 4.186 1.00 0.00 C ATOM 1045 CG PHE A 66 2.686 5.799 4.717 1.00 0.00 C ATOM 1046 CD1 PHE A 66 1.842 4.903 4.052 1.00 0.00 C ATOM 1047 CD2 PHE A 66 2.243 6.453 5.873 1.00 0.00 C ATOM 1048 CE1 PHE A 66 0.554 4.658 4.543 1.00 0.00 C ATOM 1049 CE2 PHE A 66 0.954 6.207 6.364 1.00 0.00 C ATOM 1050 CZ PHE A 66 0.109 5.310 5.700 1.00 0.00 C ATOM 0 H PHE A 66 5.928 7.332 3.061 1.00 0.00 H new ATOM 0 HA PHE A 66 3.745 5.651 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.684 5.164 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.563 6.834 4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.184 4.400 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.894 7.146 6.385 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.097 3.966 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.612 6.710 7.256 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.884 5.121 6.079 1.00 0.00 H new ATOM 1060 N ARG A 67 3.199 8.795 2.922 1.00 0.00 N ATOM 1061 CA ARG A 67 2.173 9.870 2.821 1.00 0.00 C ATOM 1062 C ARG A 67 1.774 10.062 1.356 1.00 0.00 C ATOM 1063 O ARG A 67 0.614 10.219 1.034 1.00 0.00 O ATOM 1064 CB ARG A 67 2.750 11.178 3.368 1.00 0.00 C ATOM 1065 CG ARG A 67 2.610 11.201 4.891 1.00 0.00 C ATOM 1066 CD ARG A 67 3.401 10.039 5.495 1.00 0.00 C ATOM 1067 NE ARG A 67 4.773 10.017 4.913 1.00 0.00 N ATOM 1068 CZ ARG A 67 5.666 9.186 5.380 1.00 0.00 C ATOM 1069 NH1 ARG A 67 5.355 8.376 6.356 1.00 0.00 N ATOM 1070 NH2 ARG A 67 6.866 9.166 4.871 1.00 0.00 N ATOM 0 H ARG A 67 4.111 9.096 3.266 1.00 0.00 H new ATOM 0 HA ARG A 67 1.295 9.588 3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.799 11.270 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.227 12.029 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.977 12.148 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.559 11.124 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.456 10.146 6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.894 9.096 5.293 1.00 0.00 H new ATOM 0 HE ARG A 67 5.014 10.650 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.416 8.393 6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.052 7.727 6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.107 9.799 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.564 8.517 5.235 1.00 0.00 H new ATOM 1084 N THR A 68 2.730 10.050 0.466 1.00 0.00 N ATOM 1085 CA THR A 68 2.406 10.246 -0.974 1.00 0.00 C ATOM 1086 C THR A 68 2.337 8.887 -1.674 1.00 0.00 C ATOM 1087 O THR A 68 1.873 8.775 -2.790 1.00 0.00 O ATOM 1088 CB THR A 68 3.494 11.101 -1.629 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.688 10.341 -1.742 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.754 12.343 -0.774 1.00 0.00 C ATOM 0 H THR A 68 3.719 9.913 0.675 1.00 0.00 H new ATOM 0 HA THR A 68 1.443 10.749 -1.063 1.00 0.00 H new ATOM 0 HB THR A 68 3.166 11.410 -2.621 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.461 10.919 -1.574 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.529 12.951 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.837 12.926 -0.690 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.082 12.038 0.220 1.00 0.00 H new ATOM 1098 N GLY A 69 2.797 7.852 -1.025 1.00 0.00 N ATOM 1099 CA GLY A 69 2.757 6.501 -1.654 1.00 0.00 C ATOM 1100 C GLY A 69 3.634 6.494 -2.905 1.00 0.00 C ATOM 1101 O GLY A 69 3.289 5.913 -3.914 1.00 0.00 O ATOM 0 H GLY A 69 3.198 7.883 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.108 5.749 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.731 6.240 -1.915 1.00 0.00 H new ATOM 1105 N LYS A 70 4.771 7.137 -2.850 1.00 0.00 N ATOM 1106 CA LYS A 70 5.664 7.175 -4.041 1.00 0.00 C ATOM 1107 C LYS A 70 7.120 7.035 -3.591 1.00 0.00 C ATOM 1108 O LYS A 70 7.457 7.310 -2.458 1.00 0.00 O ATOM 1109 CB LYS A 70 5.482 8.506 -4.773 1.00 0.00 C ATOM 1110 CG LYS A 70 4.064 8.587 -5.342 1.00 0.00 C ATOM 1111 CD LYS A 70 3.888 9.911 -6.088 1.00 0.00 C ATOM 1112 CE LYS A 70 2.443 10.035 -6.575 1.00 0.00 C ATOM 1113 NZ LYS A 70 2.189 9.023 -7.640 1.00 0.00 N ATOM 0 H LYS A 70 5.118 7.637 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 70 5.410 6.354 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.659 9.336 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.213 8.594 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.883 7.750 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.333 8.511 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.135 10.746 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.573 9.958 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.754 9.885 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.263 11.038 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.303 9.254 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.976 9.029 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.110 8.079 -7.210 1.00 0.00 H new ATOM 1127 N MET A 71 7.985 6.608 -4.470 1.00 0.00 N ATOM 1128 CA MET A 71 9.417 6.455 -4.094 1.00 0.00 C ATOM 1129 C MET A 71 10.141 7.789 -4.282 1.00 0.00 C ATOM 1130 O MET A 71 10.013 8.435 -5.302 1.00 0.00 O ATOM 1131 CB MET A 71 10.067 5.391 -4.980 1.00 0.00 C ATOM 1132 CG MET A 71 9.467 4.021 -4.660 1.00 0.00 C ATOM 1133 SD MET A 71 10.144 2.785 -5.794 1.00 0.00 S ATOM 1134 CE MET A 71 11.544 2.275 -4.767 1.00 0.00 C ATOM 0 H MET A 71 7.760 6.358 -5.433 1.00 0.00 H new ATOM 0 HA MET A 71 9.487 6.149 -3.050 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.909 5.632 -6.031 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.144 5.375 -4.816 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.691 3.746 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.381 4.057 -4.751 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.112 1.502 -5.284 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.189 3.133 -4.578 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.176 1.882 -3.819 1.00 0.00 H new ATOM 1144 N LEU A 72 10.901 8.206 -3.306 1.00 0.00 N ATOM 1145 CA LEU A 72 11.633 9.499 -3.433 1.00 0.00 C ATOM 1146 C LEU A 72 13.126 9.224 -3.610 1.00 0.00 C ATOM 1147 CB LEU A 72 11.413 10.334 -2.169 1.00 0.00 C ATOM 1148 CG LEU A 72 10.187 11.230 -2.354 1.00 0.00 C ATOM 1149 CD1 LEU A 72 10.503 12.323 -3.375 1.00 0.00 C ATOM 1150 CD2 LEU A 72 9.013 10.388 -2.856 1.00 0.00 C ATOM 0 H LEU A 72 11.047 7.708 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 72 11.260 10.045 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.272 9.680 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.294 10.943 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 72 9.925 11.689 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.629 12.961 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.340 12.923 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.765 11.865 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.139 11.025 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.275 9.930 -3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.787 9.608 -2.129 1.00 0.00 H new