USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 523 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 4 THR OG1 : rot 23:sc= 0.402 USER MOD Set 1.2: A 6 TYR OH : rot 175:sc= 0.993 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 22:sc= 0.6 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= -0.363 (180deg=-0.89) USER MOD Single : A 24 ASN : amide:sc= 0.963 K(o=0.96,f=-0.1) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0715 F(o=-0.76,f=-0.071) USER MOD Single : A 33 ASN : amide:sc= 1.05 K(o=1,f=-0.25) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.0395 X(o=-0.04,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.765 K(o=-0.76,f=-6.4!) USER MOD Single : A 55 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.995 K(o=0.99,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0294) USER MOD Single : A 65 TYR OH : rot 130:sc= 0 USER MOD Single : A 66 SER OG : rot 32:sc= 0.652 USER MOD Single : A 71 GLN : amide:sc= 0.763 K(o=0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.111 4.156 -12.905 1.00 0.58 N ATOM 20 CA THR A 4 -5.503 2.833 -12.446 1.00 0.46 C ATOM 21 C THR A 4 -5.608 2.844 -10.929 1.00 0.52 C ATOM 22 O THR A 4 -4.974 3.661 -10.262 1.00 0.83 O ATOM 23 CB THR A 4 -4.461 1.787 -12.833 1.00 0.55 C ATOM 24 OG1 THR A 4 -3.862 2.050 -14.071 1.00 1.03 O ATOM 25 CG2 THR A 4 -5.056 0.375 -12.907 1.00 0.71 C ATOM 0 HA THR A 4 -6.457 2.583 -12.909 1.00 0.46 H new ATOM 0 HB THR A 4 -3.713 1.842 -12.043 1.00 0.55 H new ATOM 0 HG1 THR A 4 -3.951 3.003 -14.281 1.00 1.03 H new ATOM 0 HG21 THR A 4 -4.277 -0.334 -13.186 1.00 0.71 H new ATOM 0 HG22 THR A 4 -5.465 0.101 -11.934 1.00 0.71 H new ATOM 0 HG23 THR A 4 -5.850 0.353 -13.653 1.00 0.71 H new ATOM 33 N ARG A 5 -6.346 1.866 -10.409 1.00 0.39 N ATOM 34 CA ARG A 5 -6.432 1.557 -8.997 1.00 0.39 C ATOM 35 C ARG A 5 -5.819 0.182 -8.772 1.00 0.37 C ATOM 36 O ARG A 5 -6.118 -0.753 -9.513 1.00 0.57 O ATOM 37 CB ARG A 5 -7.900 1.536 -8.579 1.00 0.50 C ATOM 38 CG ARG A 5 -8.015 1.304 -7.068 1.00 0.58 C ATOM 39 CD ARG A 5 -9.401 0.802 -6.677 1.00 0.86 C ATOM 40 NE ARG A 5 -10.319 1.924 -6.418 1.00 1.49 N ATOM 41 CZ ARG A 5 -11.033 2.599 -7.333 1.00 2.50 C ATOM 42 NH1 ARG A 5 -11.004 2.232 -8.617 1.00 3.28 N ATOM 43 NH2 ARG A 5 -11.789 3.635 -6.950 1.00 3.53 N ATOM 0 H ARG A 5 -6.918 1.249 -10.986 1.00 0.39 H new ATOM 0 HA ARG A 5 -5.901 2.305 -8.409 1.00 0.39 H new ATOM 0 HB2 ARG A 5 -8.376 2.479 -8.847 1.00 0.50 H new ATOM 0 HB3 ARG A 5 -8.428 0.748 -9.117 1.00 0.50 H new ATOM 0 HG2 ARG A 5 -7.264 0.580 -6.753 1.00 0.58 H new ATOM 0 HG3 ARG A 5 -7.803 2.234 -6.540 1.00 0.58 H new ATOM 0 HD2 ARG A 5 -9.803 0.176 -7.474 1.00 0.86 H new ATOM 0 HD3 ARG A 5 -9.327 0.176 -5.788 1.00 0.86 H new ATOM 0 HE ARG A 5 -10.423 2.218 -5.447 1.00 1.49 H new ATOM 0 HH11 ARG A 5 -10.437 1.435 -8.907 1.00 3.28 H new ATOM 0 HH12 ARG A 5 -11.549 2.749 -9.308 1.00 3.28 H new ATOM 0 HH21 ARG A 5 -11.820 3.908 -5.968 1.00 3.53 H new ATOM 0 HH22 ARG A 5 -12.334 4.152 -7.640 1.00 3.53 H new ATOM 57 N TYR A 6 -5.001 0.064 -7.730 1.00 0.30 N ATOM 58 CA TYR A 6 -4.449 -1.182 -7.234 1.00 0.28 C ATOM 59 C TYR A 6 -4.891 -1.463 -5.810 1.00 0.28 C ATOM 60 O TYR A 6 -5.003 -0.516 -5.036 1.00 0.47 O ATOM 61 CB TYR A 6 -2.944 -1.148 -7.390 1.00 0.27 C ATOM 62 CG TYR A 6 -2.505 -0.761 -8.771 1.00 0.32 C ATOM 63 CD1 TYR A 6 -3.030 -1.463 -9.864 1.00 1.91 C ATOM 64 CD2 TYR A 6 -1.646 0.325 -8.974 1.00 1.88 C ATOM 65 CE1 TYR A 6 -2.719 -1.076 -11.168 1.00 1.99 C ATOM 66 CE2 TYR A 6 -1.322 0.704 -10.281 1.00 1.85 C ATOM 67 CZ TYR A 6 -1.858 0.011 -11.383 1.00 0.59 C ATOM 68 OH TYR A 6 -1.684 0.492 -12.646 1.00 0.75 O ATOM 0 H TYR A 6 -4.695 0.872 -7.188 1.00 0.30 H new ATOM 0 HA TYR A 6 -4.834 -2.014 -7.823 1.00 0.28 H new ATOM 0 HB2 TYR A 6 -2.526 -0.443 -6.671 1.00 0.27 H new ATOM 0 HB3 TYR A 6 -2.537 -2.130 -7.147 1.00 0.27 H new ATOM 0 HD1 TYR A 6 -3.680 -2.309 -9.696 1.00 1.91 H new ATOM 0 HD2 TYR A 6 -1.238 0.864 -8.132 1.00 1.88 H new ATOM 0 HE1 TYR A 6 -3.139 -1.610 -12.007 1.00 1.99 H new ATOM 0 HE2 TYR A 6 -0.654 1.536 -10.446 1.00 1.85 H new ATOM 0 HH TYR A 6 -1.122 1.294 -12.616 1.00 0.75 H new ATOM 78 N SER A 7 -5.145 -2.740 -5.488 1.00 0.29 N ATOM 79 CA SER A 7 -5.632 -3.197 -4.193 1.00 0.29 C ATOM 80 C SER A 7 -4.653 -4.219 -3.592 1.00 0.27 C ATOM 81 O SER A 7 -4.026 -4.960 -4.345 1.00 0.27 O ATOM 82 CB SER A 7 -7.034 -3.795 -4.377 1.00 0.43 C ATOM 83 OG SER A 7 -7.844 -2.935 -5.166 1.00 2.13 O ATOM 0 H SER A 7 -5.010 -3.504 -6.150 1.00 0.29 H new ATOM 0 HA SER A 7 -5.697 -2.361 -3.496 1.00 0.29 H new ATOM 0 HB2 SER A 7 -6.959 -4.772 -4.854 1.00 0.43 H new ATOM 0 HB3 SER A 7 -7.500 -3.951 -3.404 1.00 0.43 H new ATOM 0 HG SER A 7 -8.733 -3.332 -5.275 1.00 2.13 H new ATOM 89 N TRP A 8 -4.491 -4.258 -2.261 1.00 0.29 N ATOM 90 CA TRP A 8 -3.717 -5.287 -1.560 1.00 0.32 C ATOM 91 C TRP A 8 -4.453 -5.745 -0.300 1.00 0.33 C ATOM 92 O TRP A 8 -5.249 -4.979 0.248 1.00 0.38 O ATOM 93 CB TRP A 8 -2.330 -4.812 -1.143 1.00 0.36 C ATOM 94 CG TRP A 8 -1.389 -4.250 -2.155 1.00 0.38 C ATOM 95 CD1 TRP A 8 -0.225 -4.794 -2.550 1.00 0.53 C ATOM 96 CD2 TRP A 8 -1.457 -2.998 -2.872 1.00 0.44 C ATOM 97 NE1 TRP A 8 0.515 -3.784 -3.171 1.00 0.84 N ATOM 98 CE2 TRP A 8 -0.128 -2.548 -3.079 1.00 0.85 C ATOM 99 CE3 TRP A 8 -2.260 -2.558 -3.941 1.00 0.75 C ATOM 100 CZ2 TRP A 8 -0.015 -1.336 -3.806 1.00 1.06 C ATOM 101 CZ3 TRP A 8 -1.546 -2.364 -5.166 1.00 0.75 C ATOM 102 CH2 TRP A 8 -0.515 -1.435 -5.091 1.00 0.45 C ATOM 0 H TRP A 8 -4.901 -3.565 -1.635 1.00 0.29 H new ATOM 0 HA TRP A 8 -3.603 -6.106 -2.270 1.00 0.32 H new ATOM 0 HB2 TRP A 8 -2.467 -4.052 -0.374 1.00 0.36 H new ATOM 0 HB3 TRP A 8 -1.829 -5.657 -0.671 1.00 0.36 H new ATOM 0 HD1 TRP A 8 0.081 -5.821 -2.413 1.00 0.53 H new ATOM 0 HE1 TRP A 8 1.412 -3.931 -3.633 1.00 0.84 H new ATOM 0 HE3 TRP A 8 -3.321 -2.382 -3.845 1.00 0.75 H new ATOM 0 HZ2 TRP A 8 0.415 -0.433 -3.400 1.00 1.06 H new ATOM 0 HZ3 TRP A 8 -1.788 -2.896 -6.074 1.00 0.75 H new ATOM 0 HH2 TRP A 8 -0.150 -0.862 -5.931 1.00 0.45 H new ATOM 113 N LYS A 9 -4.116 -6.946 0.192 1.00 0.32 N ATOM 114 CA LYS A 9 -4.496 -7.456 1.497 1.00 0.29 C ATOM 115 C LYS A 9 -3.230 -7.367 2.336 1.00 0.39 C ATOM 116 O LYS A 9 -2.219 -7.934 1.931 1.00 0.68 O ATOM 117 CB LYS A 9 -4.988 -8.917 1.400 1.00 0.38 C ATOM 118 CG LYS A 9 -4.102 -9.897 0.595 1.00 1.83 C ATOM 119 CD LYS A 9 -4.658 -10.090 -0.815 1.00 1.31 C ATOM 120 CE LYS A 9 -5.789 -11.131 -0.876 1.00 1.35 C ATOM 121 NZ LYS A 9 -5.381 -12.342 -1.619 1.00 2.13 N ATOM 0 H LYS A 9 -3.548 -7.607 -0.338 1.00 0.32 H new ATOM 0 HA LYS A 9 -5.318 -6.888 1.932 1.00 0.29 H new ATOM 0 HB2 LYS A 9 -5.095 -9.308 2.412 1.00 0.38 H new ATOM 0 HB3 LYS A 9 -5.982 -8.912 0.953 1.00 0.38 H new ATOM 0 HG2 LYS A 9 -3.083 -9.514 0.541 1.00 1.83 H new ATOM 0 HG3 LYS A 9 -4.054 -10.858 1.108 1.00 1.83 H new ATOM 0 HD2 LYS A 9 -5.030 -9.135 -1.187 1.00 1.31 H new ATOM 0 HD3 LYS A 9 -3.851 -10.399 -1.479 1.00 1.31 H new ATOM 0 HE2 LYS A 9 -6.083 -11.408 0.136 1.00 1.35 H new ATOM 0 HE3 LYS A 9 -6.664 -10.690 -1.353 1.00 1.35 H new ATOM 0 HZ1 LYS A 9 -6.170 -13.020 -1.638 1.00 2.13 H new ATOM 0 HZ2 LYS A 9 -5.124 -12.082 -2.593 1.00 2.13 H new ATOM 0 HZ3 LYS A 9 -4.562 -12.778 -1.150 1.00 2.13 H new ATOM 135 N VAL A 10 -3.241 -6.642 3.451 1.00 0.33 N ATOM 136 CA VAL A 10 -2.110 -6.579 4.347 1.00 0.39 C ATOM 137 C VAL A 10 -2.467 -7.384 5.596 1.00 0.50 C ATOM 138 O VAL A 10 -3.631 -7.711 5.813 1.00 1.07 O ATOM 139 CB VAL A 10 -1.787 -5.103 4.625 1.00 0.45 C ATOM 140 CG1 VAL A 10 -0.360 -5.001 5.142 1.00 0.59 C ATOM 141 CG2 VAL A 10 -1.863 -4.259 3.343 1.00 0.41 C ATOM 0 H VAL A 10 -4.040 -6.084 3.752 1.00 0.33 H new ATOM 0 HA VAL A 10 -1.206 -7.017 3.923 1.00 0.39 H new ATOM 0 HB VAL A 10 -2.514 -4.734 5.349 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -0.120 -3.957 5.343 1.00 0.59 H new ATOM 0 HG12 VAL A 10 -0.264 -5.579 6.061 1.00 0.59 H new ATOM 0 HG13 VAL A 10 0.327 -5.394 4.393 1.00 0.59 H new ATOM 0 HG21 VAL A 10 -1.629 -3.220 3.577 1.00 0.41 H new ATOM 0 HG22 VAL A 10 -1.146 -4.638 2.615 1.00 0.41 H new ATOM 0 HG23 VAL A 10 -2.869 -4.319 2.927 1.00 0.41 H new ATOM 151 N SER A 11 -1.477 -7.750 6.409 1.00 0.28 N ATOM 152 CA SER A 11 -1.722 -8.395 7.686 1.00 0.33 C ATOM 153 C SER A 11 -0.653 -7.911 8.662 1.00 0.41 C ATOM 154 O SER A 11 0.494 -8.347 8.581 1.00 0.59 O ATOM 155 CB SER A 11 -1.731 -9.921 7.502 1.00 0.46 C ATOM 156 OG SER A 11 -2.618 -10.525 8.424 1.00 0.92 O ATOM 0 H SER A 11 -0.490 -7.606 6.197 1.00 0.28 H new ATOM 0 HA SER A 11 -2.699 -8.133 8.093 1.00 0.33 H new ATOM 0 HB2 SER A 11 -2.031 -10.169 6.484 1.00 0.46 H new ATOM 0 HB3 SER A 11 -0.725 -10.316 7.643 1.00 0.46 H new ATOM 0 HG SER A 11 -2.614 -11.496 8.293 1.00 0.92 H new ATOM 162 N GLY A 12 -1.007 -6.962 9.533 1.00 0.44 N ATOM 163 CA GLY A 12 -0.104 -6.452 10.559 1.00 0.55 C ATOM 164 C GLY A 12 -0.421 -5.002 10.917 1.00 0.61 C ATOM 165 O GLY A 12 -0.356 -4.616 12.080 1.00 0.84 O ATOM 0 H GLY A 12 -1.930 -6.528 9.544 1.00 0.44 H new ATOM 0 HA2 GLY A 12 -0.179 -7.073 11.452 1.00 0.55 H new ATOM 0 HA3 GLY A 12 0.925 -6.524 10.207 1.00 0.55 H new ATOM 169 N MET A 13 -0.737 -4.187 9.909 1.00 0.52 N ATOM 170 CA MET A 13 -1.017 -2.777 10.113 1.00 0.58 C ATOM 171 C MET A 13 -2.380 -2.609 10.805 1.00 0.67 C ATOM 172 O MET A 13 -3.403 -2.743 10.147 1.00 1.13 O ATOM 173 CB MET A 13 -0.884 -2.029 8.765 1.00 0.67 C ATOM 174 CG MET A 13 -2.064 -2.199 7.791 1.00 1.16 C ATOM 175 SD MET A 13 -1.771 -1.705 6.077 1.00 1.92 S ATOM 176 CE MET A 13 -3.457 -1.754 5.432 1.00 1.93 C ATOM 0 H MET A 13 -0.804 -4.489 8.937 1.00 0.52 H new ATOM 0 HA MET A 13 -0.289 -2.324 10.786 1.00 0.58 H new ATOM 0 HB2 MET A 13 -0.756 -0.966 8.971 1.00 0.67 H new ATOM 0 HB3 MET A 13 0.025 -2.369 8.269 1.00 0.67 H new ATOM 0 HG2 MET A 13 -2.364 -3.247 7.798 1.00 1.16 H new ATOM 0 HG3 MET A 13 -2.907 -1.624 8.173 1.00 1.16 H new ATOM 0 HE1 MET A 13 -3.452 -1.473 4.379 1.00 1.93 H new ATOM 0 HE2 MET A 13 -3.858 -2.762 5.537 1.00 1.93 H new ATOM 0 HE3 MET A 13 -4.081 -1.056 5.990 1.00 1.93 H new ATOM 186 N ASP A 14 -2.405 -2.286 12.104 1.00 0.69 N ATOM 187 CA ASP A 14 -3.629 -1.865 12.791 1.00 0.86 C ATOM 188 C ASP A 14 -3.300 -1.010 14.018 1.00 0.91 C ATOM 189 O ASP A 14 -3.514 -1.425 15.154 1.00 1.34 O ATOM 190 CB ASP A 14 -4.515 -3.065 13.157 1.00 1.25 C ATOM 191 CG ASP A 14 -5.855 -2.611 13.736 1.00 1.99 C ATOM 192 OD1 ASP A 14 -6.342 -1.546 13.292 1.00 2.83 O ATOM 193 OD2 ASP A 14 -6.370 -3.330 14.619 1.00 2.76 O ATOM 0 H ASP A 14 -1.581 -2.309 12.705 1.00 0.69 H new ATOM 0 HA ASP A 14 -4.202 -1.247 12.100 1.00 0.86 H new ATOM 0 HB2 ASP A 14 -4.688 -3.676 12.271 1.00 1.25 H new ATOM 0 HB3 ASP A 14 -3.998 -3.694 13.882 1.00 1.25 H new ATOM 198 N CYS A 15 -2.734 0.183 13.792 1.00 0.64 N ATOM 199 CA CYS A 15 -2.442 1.144 14.858 1.00 0.70 C ATOM 200 C CYS A 15 -2.639 2.578 14.361 1.00 0.92 C ATOM 201 O CYS A 15 -3.747 3.103 14.403 1.00 2.28 O ATOM 202 CB CYS A 15 -1.034 0.934 15.447 1.00 0.71 C ATOM 203 SG CYS A 15 -1.000 -0.436 16.628 1.00 1.69 S ATOM 0 H CYS A 15 -2.466 0.507 12.863 1.00 0.64 H new ATOM 0 HA CYS A 15 -3.150 0.969 15.668 1.00 0.70 H new ATOM 0 HB2 CYS A 15 -0.328 0.737 14.640 1.00 0.71 H new ATOM 0 HB3 CYS A 15 -0.706 1.849 15.941 1.00 0.71 H new ATOM 0 HG CYS A 15 -2.008 -1.226 16.405 1.00 1.69 H new ATOM 209 N ALA A 16 -1.561 3.231 13.906 1.00 0.71 N ATOM 210 CA ALA A 16 -1.560 4.631 13.480 1.00 0.74 C ATOM 211 C ALA A 16 -0.210 4.958 12.841 1.00 0.94 C ATOM 212 O ALA A 16 -0.124 5.299 11.662 1.00 1.99 O ATOM 213 CB ALA A 16 -1.839 5.560 14.668 1.00 1.03 C ATOM 0 H ALA A 16 -0.646 2.787 13.823 1.00 0.71 H new ATOM 0 HA ALA A 16 -2.352 4.786 12.747 1.00 0.74 H new ATOM 0 HB1 ALA A 16 -1.834 6.596 14.329 1.00 1.03 H new ATOM 0 HB2 ALA A 16 -2.814 5.323 15.094 1.00 1.03 H new ATOM 0 HB3 ALA A 16 -1.068 5.423 15.426 1.00 1.03 H new ATOM 219 N ALA A 17 0.868 4.786 13.609 1.00 0.74 N ATOM 220 CA ALA A 17 2.232 4.910 13.108 1.00 0.73 C ATOM 221 C ALA A 17 2.438 4.039 11.863 1.00 0.53 C ATOM 222 O ALA A 17 3.065 4.454 10.886 1.00 0.55 O ATOM 223 CB ALA A 17 3.214 4.525 14.219 1.00 0.94 C ATOM 0 H ALA A 17 0.815 4.556 14.601 1.00 0.74 H new ATOM 0 HA ALA A 17 2.415 5.944 12.814 1.00 0.73 H new ATOM 0 HB1 ALA A 17 4.235 4.616 13.849 1.00 0.94 H new ATOM 0 HB2 ALA A 17 3.076 5.189 15.072 1.00 0.94 H new ATOM 0 HB3 ALA A 17 3.030 3.496 14.527 1.00 0.94 H new ATOM 229 N CYS A 18 1.871 2.830 11.893 1.00 0.42 N ATOM 230 CA CYS A 18 1.984 1.872 10.814 1.00 0.37 C ATOM 231 C CYS A 18 1.179 2.374 9.624 1.00 0.31 C ATOM 232 O CYS A 18 1.584 2.187 8.481 1.00 0.31 O ATOM 233 CB CYS A 18 1.507 0.486 11.264 1.00 0.48 C ATOM 234 SG CYS A 18 2.617 -0.178 12.531 1.00 1.81 S ATOM 0 H CYS A 18 1.316 2.495 12.681 1.00 0.42 H new ATOM 0 HA CYS A 18 3.029 1.772 10.521 1.00 0.37 H new ATOM 0 HB2 CYS A 18 0.493 0.553 11.658 1.00 0.48 H new ATOM 0 HB3 CYS A 18 1.473 -0.190 10.410 1.00 0.48 H new ATOM 0 HG CYS A 18 2.198 -1.351 12.903 1.00 1.81 H new ATOM 240 N ALA A 19 0.058 3.057 9.891 1.00 0.42 N ATOM 241 CA ALA A 19 -0.745 3.635 8.831 1.00 0.49 C ATOM 242 C ALA A 19 0.112 4.610 8.032 1.00 0.44 C ATOM 243 O ALA A 19 0.133 4.575 6.803 1.00 0.47 O ATOM 244 CB ALA A 19 -2.009 4.326 9.363 1.00 0.68 C ATOM 0 H ALA A 19 -0.304 3.217 10.831 1.00 0.42 H new ATOM 0 HA ALA A 19 -1.087 2.827 8.184 1.00 0.49 H new ATOM 0 HB1 ALA A 19 -2.575 4.742 8.529 1.00 0.68 H new ATOM 0 HB2 ALA A 19 -2.625 3.600 9.893 1.00 0.68 H new ATOM 0 HB3 ALA A 19 -1.726 5.128 10.045 1.00 0.68 H new ATOM 250 N ARG A 20 0.862 5.466 8.734 1.00 0.44 N ATOM 251 CA ARG A 20 1.746 6.361 8.040 1.00 0.47 C ATOM 252 C ARG A 20 2.801 5.561 7.288 1.00 0.38 C ATOM 253 O ARG A 20 2.973 5.749 6.092 1.00 0.38 O ATOM 254 CB ARG A 20 2.351 7.425 8.931 1.00 0.58 C ATOM 255 CG ARG A 20 1.258 8.289 9.578 1.00 0.70 C ATOM 256 CD ARG A 20 1.626 8.635 11.020 1.00 1.06 C ATOM 257 NE ARG A 20 0.530 9.368 11.671 1.00 1.32 N ATOM 258 CZ ARG A 20 0.439 9.607 12.990 1.00 2.22 C ATOM 259 NH1 ARG A 20 1.429 9.221 13.802 1.00 3.31 N ATOM 260 NH2 ARG A 20 -0.638 10.225 13.486 1.00 2.61 N ATOM 0 H ARG A 20 0.866 5.546 9.751 1.00 0.44 H new ATOM 0 HA ARG A 20 1.149 6.918 7.318 1.00 0.47 H new ATOM 0 HB2 ARG A 20 2.954 6.954 9.707 1.00 0.58 H new ATOM 0 HB3 ARG A 20 3.020 8.056 8.346 1.00 0.58 H new ATOM 0 HG2 ARG A 20 1.123 9.205 9.002 1.00 0.70 H new ATOM 0 HG3 ARG A 20 0.307 7.757 9.558 1.00 0.70 H new ATOM 0 HD2 ARG A 20 1.841 7.722 11.575 1.00 1.06 H new ATOM 0 HD3 ARG A 20 2.534 9.238 11.035 1.00 1.06 H new ATOM 0 HE ARG A 20 -0.219 9.722 11.076 1.00 1.32 H new ATOM 0 HH11 ARG A 20 2.248 8.748 13.419 1.00 3.31 H new ATOM 0 HH12 ARG A 20 1.366 9.400 14.804 1.00 3.31 H new ATOM 0 HH21 ARG A 20 -1.391 10.515 12.863 1.00 2.61 H new ATOM 0 HH22 ARG A 20 -0.706 10.406 14.488 1.00 2.61 H new ATOM 274 N LYS A 21 3.511 4.651 7.956 1.00 0.36 N ATOM 275 CA LYS A 21 4.519 3.839 7.293 1.00 0.35 C ATOM 276 C LYS A 21 4.013 3.227 5.981 1.00 0.34 C ATOM 277 O LYS A 21 4.765 3.207 5.005 1.00 0.44 O ATOM 278 CB LYS A 21 4.996 2.763 8.264 1.00 0.39 C ATOM 279 CG LYS A 21 5.952 3.306 9.333 1.00 0.90 C ATOM 280 CD LYS A 21 7.313 3.796 8.807 1.00 1.47 C ATOM 281 CE LYS A 21 8.096 2.726 8.023 1.00 2.75 C ATOM 282 NZ LYS A 21 7.762 2.690 6.580 1.00 4.67 N ATOM 0 H LYS A 21 3.404 4.462 8.953 1.00 0.36 H new ATOM 0 HA LYS A 21 5.355 4.481 7.015 1.00 0.35 H new ATOM 0 HB2 LYS A 21 4.132 2.312 8.752 1.00 0.39 H new ATOM 0 HB3 LYS A 21 5.496 1.972 7.705 1.00 0.39 H new ATOM 0 HG2 LYS A 21 5.462 4.131 9.850 1.00 0.90 H new ATOM 0 HG3 LYS A 21 6.126 2.524 10.072 1.00 0.90 H new ATOM 0 HD2 LYS A 21 7.154 4.661 8.163 1.00 1.47 H new ATOM 0 HD3 LYS A 21 7.918 4.132 9.649 1.00 1.47 H new ATOM 0 HE2 LYS A 21 9.164 2.912 8.136 1.00 2.75 H new ATOM 0 HE3 LYS A 21 7.895 1.747 8.459 1.00 2.75 H new ATOM 0 HZ1 LYS A 21 8.610 2.439 6.033 1.00 4.67 H new ATOM 0 HZ2 LYS A 21 7.020 1.980 6.413 1.00 4.67 H new ATOM 0 HZ3 LYS A 21 7.421 3.625 6.279 1.00 4.67 H new ATOM 296 N VAL A 22 2.765 2.757 5.958 1.00 0.33 N ATOM 297 CA VAL A 22 2.092 2.262 4.774 1.00 0.40 C ATOM 298 C VAL A 22 1.950 3.361 3.730 1.00 0.39 C ATOM 299 O VAL A 22 2.443 3.191 2.618 1.00 0.45 O ATOM 300 CB VAL A 22 0.710 1.732 5.164 1.00 0.51 C ATOM 301 CG1 VAL A 22 -0.120 1.389 3.930 1.00 0.62 C ATOM 302 CG2 VAL A 22 0.829 0.460 6.006 1.00 0.58 C ATOM 0 H VAL A 22 2.183 2.712 6.794 1.00 0.33 H new ATOM 0 HA VAL A 22 2.688 1.458 4.341 1.00 0.40 H new ATOM 0 HB VAL A 22 0.224 2.523 5.735 1.00 0.51 H new ATOM 0 HG11 VAL A 22 -1.096 1.015 4.240 1.00 0.62 H new ATOM 0 HG12 VAL A 22 -0.251 2.283 3.320 1.00 0.62 H new ATOM 0 HG13 VAL A 22 0.393 0.624 3.348 1.00 0.62 H new ATOM 0 HG21 VAL A 22 -0.167 0.104 6.270 1.00 0.58 H new ATOM 0 HG22 VAL A 22 1.349 -0.308 5.433 1.00 0.58 H new ATOM 0 HG23 VAL A 22 1.390 0.677 6.915 1.00 0.58 H new ATOM 312 N GLU A 23 1.258 4.466 4.039 1.00 0.35 N ATOM 313 CA GLU A 23 1.000 5.461 3.005 1.00 0.36 C ATOM 314 C GLU A 23 2.341 5.936 2.472 1.00 0.34 C ATOM 315 O GLU A 23 2.535 6.008 1.271 1.00 0.39 O ATOM 316 CB GLU A 23 0.126 6.635 3.476 1.00 0.44 C ATOM 317 CG GLU A 23 0.780 7.423 4.607 1.00 0.49 C ATOM 318 CD GLU A 23 0.068 8.724 4.933 1.00 0.74 C ATOM 319 OE1 GLU A 23 0.368 9.704 4.210 1.00 2.02 O ATOM 320 OE2 GLU A 23 -0.701 8.720 5.916 1.00 1.61 O ATOM 0 H GLU A 23 0.882 4.684 4.962 1.00 0.35 H new ATOM 0 HA GLU A 23 0.415 4.992 2.214 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -0.068 7.302 2.636 1.00 0.44 H new ATOM 0 HB3 GLU A 23 -0.839 6.256 3.811 1.00 0.44 H new ATOM 0 HG2 GLU A 23 0.810 6.801 5.502 1.00 0.49 H new ATOM 0 HG3 GLU A 23 1.813 7.642 4.336 1.00 0.49 H new ATOM 327 N ASN A 24 3.292 6.206 3.366 1.00 0.33 N ATOM 328 CA ASN A 24 4.608 6.715 3.034 1.00 0.40 C ATOM 329 C ASN A 24 5.322 5.713 2.118 1.00 0.41 C ATOM 330 O ASN A 24 5.957 6.117 1.142 1.00 0.48 O ATOM 331 CB ASN A 24 5.401 6.977 4.323 1.00 0.57 C ATOM 332 CG ASN A 24 5.013 8.274 5.048 1.00 0.73 C ATOM 333 OD1 ASN A 24 5.720 9.272 4.965 1.00 1.02 O ATOM 334 ND2 ASN A 24 3.910 8.259 5.791 1.00 0.68 N ATOM 0 H ASN A 24 3.157 6.070 4.368 1.00 0.33 H new ATOM 0 HA ASN A 24 4.524 7.661 2.499 1.00 0.40 H new ATOM 0 HB2 ASN A 24 5.256 6.137 5.002 1.00 0.57 H new ATOM 0 HB3 ASN A 24 6.463 7.013 4.082 1.00 0.57 H new ATOM 0 HD21 ASN A 24 3.633 9.092 6.310 1.00 0.68 H new ATOM 0 HD22 ASN A 24 3.341 7.414 5.842 1.00 0.68 H new ATOM 341 N ALA A 25 5.182 4.407 2.394 1.00 0.40 N ATOM 342 CA ALA A 25 5.672 3.353 1.506 1.00 0.47 C ATOM 343 C ALA A 25 5.105 3.455 0.081 1.00 0.48 C ATOM 344 O ALA A 25 5.726 2.960 -0.856 1.00 0.57 O ATOM 345 CB ALA A 25 5.421 1.973 2.127 1.00 0.52 C ATOM 0 H ALA A 25 4.727 4.058 3.237 1.00 0.40 H new ATOM 0 HA ALA A 25 6.748 3.493 1.401 1.00 0.47 H new ATOM 0 HB1 ALA A 25 5.791 1.199 1.455 1.00 0.52 H new ATOM 0 HB2 ALA A 25 5.942 1.904 3.082 1.00 0.52 H new ATOM 0 HB3 ALA A 25 4.352 1.835 2.286 1.00 0.52 H new ATOM 351 N VAL A 26 3.963 4.118 -0.100 1.00 0.41 N ATOM 352 CA VAL A 26 3.394 4.441 -1.402 1.00 0.40 C ATOM 353 C VAL A 26 3.864 5.837 -1.856 1.00 0.33 C ATOM 354 O VAL A 26 4.276 6.038 -2.994 1.00 0.35 O ATOM 355 CB VAL A 26 1.858 4.344 -1.316 1.00 0.48 C ATOM 356 CG1 VAL A 26 1.237 4.506 -2.698 1.00 1.56 C ATOM 357 CG2 VAL A 26 1.393 3.003 -0.738 1.00 1.57 C ATOM 0 H VAL A 26 3.395 4.453 0.678 1.00 0.41 H new ATOM 0 HA VAL A 26 3.739 3.729 -2.152 1.00 0.40 H new ATOM 0 HB VAL A 26 1.534 5.145 -0.651 1.00 0.48 H new ATOM 0 HG11 VAL A 26 0.152 4.435 -2.620 1.00 1.56 H new ATOM 0 HG12 VAL A 26 1.508 5.479 -3.107 1.00 1.56 H new ATOM 0 HG13 VAL A 26 1.606 3.720 -3.357 1.00 1.56 H new ATOM 0 HG21 VAL A 26 0.304 2.982 -0.697 1.00 1.57 H new ATOM 0 HG22 VAL A 26 1.748 2.191 -1.372 1.00 1.57 H new ATOM 0 HG23 VAL A 26 1.796 2.881 0.267 1.00 1.57 H new ATOM 367 N ARG A 27 3.818 6.832 -0.974 1.00 0.32 N ATOM 368 CA ARG A 27 4.076 8.226 -1.317 1.00 0.36 C ATOM 369 C ARG A 27 5.500 8.398 -1.839 1.00 0.40 C ATOM 370 O ARG A 27 5.766 9.274 -2.656 1.00 0.44 O ATOM 371 CB ARG A 27 3.841 9.140 -0.108 1.00 0.44 C ATOM 372 CG ARG A 27 2.470 8.905 0.554 1.00 0.72 C ATOM 373 CD ARG A 27 1.673 10.169 0.864 1.00 0.72 C ATOM 374 NE ARG A 27 2.286 10.975 1.932 1.00 0.76 N ATOM 375 CZ ARG A 27 3.049 12.070 1.758 1.00 1.76 C ATOM 376 NH1 ARG A 27 3.270 12.566 0.532 1.00 3.43 N ATOM 377 NH2 ARG A 27 3.599 12.675 2.816 1.00 2.11 N ATOM 0 H ARG A 27 3.598 6.690 0.012 1.00 0.32 H new ATOM 0 HA ARG A 27 3.379 8.512 -2.105 1.00 0.36 H new ATOM 0 HB2 ARG A 27 4.629 8.974 0.627 1.00 0.44 H new ATOM 0 HB3 ARG A 27 3.914 10.181 -0.424 1.00 0.44 H new ATOM 0 HG2 ARG A 27 1.873 8.269 -0.100 1.00 0.72 H new ATOM 0 HG3 ARG A 27 2.622 8.354 1.482 1.00 0.72 H new ATOM 0 HD2 ARG A 27 1.590 10.773 -0.040 1.00 0.72 H new ATOM 0 HD3 ARG A 27 0.660 9.893 1.158 1.00 0.72 H new ATOM 0 HE ARG A 27 2.117 10.676 2.893 1.00 0.76 H new ATOM 0 HH11 ARG A 27 2.858 12.113 -0.283 1.00 3.43 H new ATOM 0 HH12 ARG A 27 3.850 13.397 0.415 1.00 3.43 H new ATOM 0 HH21 ARG A 27 3.440 12.307 3.754 1.00 2.11 H new ATOM 0 HH22 ARG A 27 4.177 13.505 2.685 1.00 2.11 H new ATOM 391 N GLN A 28 6.410 7.543 -1.366 1.00 0.45 N ATOM 392 CA GLN A 28 7.796 7.506 -1.796 1.00 0.56 C ATOM 393 C GLN A 28 7.972 7.206 -3.293 1.00 0.49 C ATOM 394 O GLN A 28 9.098 7.294 -3.773 1.00 0.60 O ATOM 395 CB GLN A 28 8.597 6.567 -0.889 1.00 0.72 C ATOM 396 CG GLN A 28 8.264 5.090 -1.136 1.00 0.73 C ATOM 397 CD GLN A 28 8.996 4.152 -0.180 1.00 0.98 C ATOM 398 OE1 GLN A 28 9.025 4.476 1.110 1.00 1.26 O flip ATOM 399 NE2 GLN A 28 9.563 3.145 -0.592 1.00 1.03 N flip ATOM 0 H GLN A 28 6.191 6.844 -0.657 1.00 0.45 H new ATOM 0 HA GLN A 28 8.203 8.511 -1.686 1.00 0.56 H new ATOM 0 HB2 GLN A 28 9.662 6.729 -1.053 1.00 0.72 H new ATOM 0 HB3 GLN A 28 8.394 6.813 0.153 1.00 0.72 H new ATOM 0 HG2 GLN A 28 7.189 4.942 -1.031 1.00 0.73 H new ATOM 0 HG3 GLN A 28 8.523 4.830 -2.162 1.00 0.73 H new ATOM 0 HE21 GLN A 28 9.531 2.911 -1.584 1.00 1.03 H new ATOM 0 HE22 GLN A 28 10.067 2.541 0.058 1.00 1.03 H new ATOM 408 N LEU A 29 6.927 6.746 -4.003 1.00 0.36 N ATOM 409 CA LEU A 29 7.018 6.442 -5.421 1.00 0.36 C ATOM 410 C LEU A 29 7.095 7.755 -6.218 1.00 0.33 C ATOM 411 O LEU A 29 7.985 8.572 -6.005 1.00 0.48 O ATOM 412 CB LEU A 29 5.843 5.545 -5.831 1.00 0.39 C ATOM 413 CG LEU A 29 5.674 4.215 -5.068 1.00 0.54 C ATOM 414 CD1 LEU A 29 5.359 3.124 -6.068 1.00 0.70 C ATOM 415 CD2 LEU A 29 6.831 3.685 -4.218 1.00 0.71 C ATOM 0 H LEU A 29 6.004 6.579 -3.602 1.00 0.36 H new ATOM 0 HA LEU A 29 7.927 5.883 -5.643 1.00 0.36 H new ATOM 0 HB2 LEU A 29 4.924 6.119 -5.717 1.00 0.39 H new ATOM 0 HB3 LEU A 29 5.947 5.316 -6.892 1.00 0.39 H new ATOM 0 HG LEU A 29 4.890 4.460 -4.352 1.00 0.54 H new ATOM 0 HD11 LEU A 29 5.236 2.176 -5.545 1.00 0.70 H new ATOM 0 HD12 LEU A 29 4.437 3.369 -6.596 1.00 0.70 H new ATOM 0 HD13 LEU A 29 6.176 3.040 -6.784 1.00 0.70 H new ATOM 0 HD21 LEU A 29 6.540 2.743 -3.754 1.00 0.71 H new ATOM 0 HD22 LEU A 29 7.703 3.523 -4.851 1.00 0.71 H new ATOM 0 HD23 LEU A 29 7.075 4.411 -3.443 1.00 0.71 H new ATOM 427 N ALA A 30 6.168 7.962 -7.155 1.00 0.29 N ATOM 428 CA ALA A 30 6.148 9.129 -8.032 1.00 0.25 C ATOM 429 C ALA A 30 4.870 9.112 -8.862 1.00 0.28 C ATOM 430 O ALA A 30 4.160 10.107 -8.945 1.00 0.28 O ATOM 431 CB ALA A 30 7.370 9.129 -8.960 1.00 0.26 C ATOM 0 H ALA A 30 5.400 7.313 -7.327 1.00 0.29 H new ATOM 0 HA ALA A 30 6.180 10.031 -7.421 1.00 0.25 H new ATOM 0 HB1 ALA A 30 7.337 10.007 -9.606 1.00 0.26 H new ATOM 0 HB2 ALA A 30 8.281 9.153 -8.362 1.00 0.26 H new ATOM 0 HB3 ALA A 30 7.362 8.227 -9.573 1.00 0.26 H new ATOM 437 N GLY A 31 4.586 7.958 -9.473 1.00 0.34 N ATOM 438 CA GLY A 31 3.422 7.792 -10.342 1.00 0.39 C ATOM 439 C GLY A 31 2.116 7.627 -9.557 1.00 0.35 C ATOM 440 O GLY A 31 1.026 7.710 -10.125 1.00 0.44 O ATOM 0 H GLY A 31 5.155 7.117 -9.378 1.00 0.34 H new ATOM 0 HA2 GLY A 31 3.339 8.657 -11.000 1.00 0.39 H new ATOM 0 HA3 GLY A 31 3.571 6.920 -10.979 1.00 0.39 H new ATOM 444 N VAL A 32 2.227 7.383 -8.246 1.00 0.29 N ATOM 445 CA VAL A 32 1.110 7.452 -7.320 1.00 0.29 C ATOM 446 C VAL A 32 0.412 8.808 -7.439 1.00 0.38 C ATOM 447 O VAL A 32 1.077 9.840 -7.486 1.00 0.52 O ATOM 448 CB VAL A 32 1.661 7.222 -5.904 1.00 0.38 C ATOM 449 CG1 VAL A 32 0.652 7.604 -4.811 1.00 0.60 C ATOM 450 CG2 VAL A 32 2.070 5.748 -5.786 1.00 0.33 C ATOM 0 H VAL A 32 3.109 7.130 -7.801 1.00 0.29 H new ATOM 0 HA VAL A 32 0.366 6.688 -7.548 1.00 0.29 H new ATOM 0 HB VAL A 32 2.524 7.870 -5.751 1.00 0.38 H new ATOM 0 HG11 VAL A 32 1.092 7.422 -3.830 1.00 0.60 H new ATOM 0 HG12 VAL A 32 0.397 8.660 -4.904 1.00 0.60 H new ATOM 0 HG13 VAL A 32 -0.250 7.002 -4.922 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.465 5.559 -4.788 1.00 0.33 H new ATOM 0 HG22 VAL A 32 1.200 5.114 -5.958 1.00 0.33 H new ATOM 0 HG23 VAL A 32 2.836 5.522 -6.528 1.00 0.33 H new ATOM 460 N ASN A 33 -0.924 8.801 -7.429 1.00 0.35 N ATOM 461 CA ASN A 33 -1.730 10.012 -7.402 1.00 0.44 C ATOM 462 C ASN A 33 -2.285 10.183 -5.997 1.00 0.42 C ATOM 463 O ASN A 33 -2.233 11.267 -5.425 1.00 0.73 O ATOM 464 CB ASN A 33 -2.915 9.904 -8.365 1.00 0.76 C ATOM 465 CG ASN A 33 -2.514 9.730 -9.818 1.00 0.89 C ATOM 466 OD1 ASN A 33 -1.906 10.616 -10.410 1.00 2.14 O ATOM 467 ND2 ASN A 33 -2.911 8.607 -10.404 1.00 0.76 N ATOM 0 H ASN A 33 -1.476 7.943 -7.440 1.00 0.35 H new ATOM 0 HA ASN A 33 -1.106 10.855 -7.697 1.00 0.44 H new ATOM 0 HB2 ASN A 33 -3.537 9.060 -8.067 1.00 0.76 H new ATOM 0 HB3 ASN A 33 -3.528 10.800 -8.273 1.00 0.76 H new ATOM 0 HD21 ASN A 33 -2.713 8.450 -11.392 1.00 0.76 H new ATOM 0 HD22 ASN A 33 -3.414 7.901 -9.866 1.00 0.76 H new ATOM 474 N GLN A 34 -2.865 9.105 -5.464 1.00 0.44 N ATOM 475 CA GLN A 34 -3.657 9.123 -4.257 1.00 0.60 C ATOM 476 C GLN A 34 -3.714 7.692 -3.744 1.00 0.50 C ATOM 477 O GLN A 34 -3.494 6.753 -4.503 1.00 0.92 O ATOM 478 CB GLN A 34 -5.044 9.724 -4.541 1.00 0.85 C ATOM 479 CG GLN A 34 -5.812 9.093 -5.711 1.00 1.25 C ATOM 480 CD GLN A 34 -6.627 10.126 -6.483 1.00 0.86 C ATOM 481 OE1 GLN A 34 -7.388 10.891 -5.899 1.00 1.24 O ATOM 482 NE2 GLN A 34 -6.473 10.171 -7.804 1.00 0.73 N ATOM 0 H GLN A 34 -2.788 8.177 -5.880 1.00 0.44 H new ATOM 0 HA GLN A 34 -3.217 9.757 -3.487 1.00 0.60 H new ATOM 0 HB2 GLN A 34 -5.651 9.634 -3.640 1.00 0.85 H new ATOM 0 HB3 GLN A 34 -4.925 10.789 -4.740 1.00 0.85 H new ATOM 0 HG2 GLN A 34 -5.108 8.608 -6.387 1.00 1.25 H new ATOM 0 HG3 GLN A 34 -6.477 8.317 -5.332 1.00 1.25 H new ATOM 0 HE21 GLN A 34 -5.834 9.524 -8.265 1.00 0.73 H new ATOM 0 HE22 GLN A 34 -6.994 10.853 -8.355 1.00 0.73 H new ATOM 491 N VAL A 35 -3.914 7.530 -2.442 1.00 0.32 N ATOM 492 CA VAL A 35 -3.779 6.273 -1.746 1.00 0.29 C ATOM 493 C VAL A 35 -4.929 6.131 -0.751 1.00 0.27 C ATOM 494 O VAL A 35 -5.351 7.128 -0.167 1.00 0.38 O ATOM 495 CB VAL A 35 -2.398 6.237 -1.067 1.00 0.41 C ATOM 496 CG1 VAL A 35 -1.271 6.715 -1.992 1.00 1.75 C ATOM 497 CG2 VAL A 35 -2.313 7.038 0.240 1.00 2.08 C ATOM 0 H VAL A 35 -4.183 8.300 -1.829 1.00 0.32 H new ATOM 0 HA VAL A 35 -3.836 5.427 -2.430 1.00 0.29 H new ATOM 0 HB VAL A 35 -2.266 5.181 -0.830 1.00 0.41 H new ATOM 0 HG11 VAL A 35 -0.320 6.668 -1.461 1.00 1.75 H new ATOM 0 HG12 VAL A 35 -1.227 6.074 -2.873 1.00 1.75 H new ATOM 0 HG13 VAL A 35 -1.464 7.742 -2.300 1.00 1.75 H new ATOM 0 HG21 VAL A 35 -1.307 6.958 0.651 1.00 2.08 H new ATOM 0 HG22 VAL A 35 -2.542 8.085 0.041 1.00 2.08 H new ATOM 0 HG23 VAL A 35 -3.030 6.640 0.958 1.00 2.08 H new ATOM 507 N GLN A 36 -5.424 4.908 -0.543 1.00 0.30 N ATOM 508 CA GLN A 36 -6.415 4.603 0.470 1.00 0.38 C ATOM 509 C GLN A 36 -5.956 3.432 1.335 1.00 0.33 C ATOM 510 O GLN A 36 -6.161 2.265 1.006 1.00 0.42 O ATOM 511 CB GLN A 36 -7.786 4.344 -0.170 1.00 0.65 C ATOM 512 CG GLN A 36 -8.678 5.592 -0.115 1.00 1.40 C ATOM 513 CD GLN A 36 -8.825 6.305 -1.457 1.00 1.82 C ATOM 514 OE1 GLN A 36 -8.523 7.485 -1.578 1.00 3.72 O ATOM 515 NE2 GLN A 36 -9.312 5.601 -2.475 1.00 1.26 N ATOM 0 H GLN A 36 -5.137 4.095 -1.087 1.00 0.30 H new ATOM 0 HA GLN A 36 -6.524 5.468 1.125 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -7.652 4.037 -1.207 1.00 0.65 H new ATOM 0 HB3 GLN A 36 -8.279 3.520 0.345 1.00 0.65 H new ATOM 0 HG2 GLN A 36 -9.667 5.305 0.243 1.00 1.40 H new ATOM 0 HG3 GLN A 36 -8.265 6.290 0.613 1.00 1.40 H new ATOM 0 HE21 GLN A 36 -9.555 4.619 -2.346 1.00 1.26 H new ATOM 0 HE22 GLN A 36 -9.442 6.043 -3.385 1.00 1.26 H new ATOM 524 N VAL A 37 -5.421 3.790 2.496 1.00 0.25 N ATOM 525 CA VAL A 37 -5.132 2.918 3.616 1.00 0.30 C ATOM 526 C VAL A 37 -6.347 2.969 4.541 1.00 0.36 C ATOM 527 O VAL A 37 -6.676 4.035 5.058 1.00 0.56 O ATOM 528 CB VAL A 37 -3.892 3.446 4.372 1.00 0.42 C ATOM 529 CG1 VAL A 37 -3.380 2.388 5.356 1.00 2.08 C ATOM 530 CG2 VAL A 37 -2.774 3.919 3.435 1.00 1.80 C ATOM 0 H VAL A 37 -5.163 4.758 2.687 1.00 0.25 H new ATOM 0 HA VAL A 37 -4.932 1.900 3.281 1.00 0.30 H new ATOM 0 HB VAL A 37 -4.209 4.327 4.930 1.00 0.42 H new ATOM 0 HG11 VAL A 37 -2.506 2.773 5.882 1.00 2.08 H new ATOM 0 HG12 VAL A 37 -4.163 2.152 6.077 1.00 2.08 H new ATOM 0 HG13 VAL A 37 -3.106 1.485 4.810 1.00 2.08 H new ATOM 0 HG21 VAL A 37 -1.931 4.278 4.026 1.00 1.80 H new ATOM 0 HG22 VAL A 37 -2.450 3.089 2.808 1.00 1.80 H new ATOM 0 HG23 VAL A 37 -3.145 4.727 2.804 1.00 1.80 H new ATOM 540 N LEU A 38 -7.030 1.838 4.733 1.00 0.37 N ATOM 541 CA LEU A 38 -8.131 1.712 5.664 1.00 0.43 C ATOM 542 C LEU A 38 -7.830 0.497 6.541 1.00 0.30 C ATOM 543 O LEU A 38 -7.755 -0.627 6.040 1.00 0.40 O ATOM 544 CB LEU A 38 -9.428 1.580 4.859 1.00 0.60 C ATOM 545 CG LEU A 38 -10.609 1.059 5.682 1.00 0.55 C ATOM 546 CD1 LEU A 38 -10.954 1.974 6.865 1.00 0.57 C ATOM 547 CD2 LEU A 38 -11.840 0.907 4.785 1.00 0.69 C ATOM 0 H LEU A 38 -6.822 0.974 4.232 1.00 0.37 H new ATOM 0 HA LEU A 38 -8.252 2.579 6.313 1.00 0.43 H new ATOM 0 HB2 LEU A 38 -9.688 2.553 4.442 1.00 0.60 H new ATOM 0 HB3 LEU A 38 -9.257 0.908 4.018 1.00 0.60 H new ATOM 0 HG LEU A 38 -10.312 0.093 6.089 1.00 0.55 H new ATOM 0 HD11 LEU A 38 -11.798 1.557 7.414 1.00 0.57 H new ATOM 0 HD12 LEU A 38 -10.093 2.051 7.528 1.00 0.57 H new ATOM 0 HD13 LEU A 38 -11.216 2.965 6.494 1.00 0.57 H new ATOM 0 HD21 LEU A 38 -12.677 0.536 5.376 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -12.099 1.875 4.356 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -11.621 0.202 3.983 1.00 0.69 H new ATOM 559 N PHE A 39 -7.638 0.746 7.838 1.00 0.59 N ATOM 560 CA PHE A 39 -7.458 -0.295 8.835 1.00 0.73 C ATOM 561 C PHE A 39 -8.724 -1.116 9.013 1.00 0.89 C ATOM 562 O PHE A 39 -9.793 -0.758 8.517 1.00 1.50 O ATOM 563 CB PHE A 39 -7.105 0.330 10.189 1.00 1.22 C ATOM 564 CG PHE A 39 -5.761 1.009 10.241 1.00 0.61 C ATOM 565 CD1 PHE A 39 -4.623 0.259 9.906 1.00 1.77 C ATOM 566 CD2 PHE A 39 -5.619 2.232 10.919 1.00 1.61 C ATOM 567 CE1 PHE A 39 -3.353 0.691 10.306 1.00 2.35 C ATOM 568 CE2 PHE A 39 -4.347 2.661 11.325 1.00 2.07 C ATOM 569 CZ PHE A 39 -3.216 1.872 11.051 1.00 2.10 C ATOM 0 H PHE A 39 -7.604 1.690 8.224 1.00 0.59 H new ATOM 0 HA PHE A 39 -6.653 -0.942 8.487 1.00 0.73 H new ATOM 0 HB2 PHE A 39 -7.874 1.057 10.449 1.00 1.22 H new ATOM 0 HB3 PHE A 39 -7.132 -0.449 10.951 1.00 1.22 H new ATOM 0 HD1 PHE A 39 -4.727 -0.654 9.338 1.00 1.77 H new ATOM 0 HD2 PHE A 39 -6.487 2.840 11.127 1.00 1.61 H new ATOM 0 HE1 PHE A 39 -2.479 0.115 10.041 1.00 2.35 H new ATOM 0 HE2 PHE A 39 -4.236 3.599 11.849 1.00 2.07 H new ATOM 0 HZ PHE A 39 -2.244 2.174 11.413 1.00 2.10 H new ATOM 579 N ALA A 40 -8.584 -2.219 9.742 1.00 0.82 N ATOM 580 CA ALA A 40 -9.626 -3.130 10.172 1.00 0.93 C ATOM 581 C ALA A 40 -10.019 -4.043 9.014 1.00 0.75 C ATOM 582 O ALA A 40 -10.095 -5.259 9.169 1.00 0.94 O ATOM 583 CB ALA A 40 -10.832 -2.403 10.784 1.00 1.19 C ATOM 0 H ALA A 40 -7.665 -2.517 10.070 1.00 0.82 H new ATOM 0 HA ALA A 40 -9.229 -3.748 10.977 1.00 0.93 H new ATOM 0 HB1 ALA A 40 -11.581 -3.134 11.088 1.00 1.19 H new ATOM 0 HB2 ALA A 40 -10.509 -1.831 11.654 1.00 1.19 H new ATOM 0 HB3 ALA A 40 -11.263 -1.728 10.045 1.00 1.19 H new ATOM 589 N THR A 41 -10.224 -3.459 7.829 1.00 0.53 N ATOM 590 CA THR A 41 -10.312 -4.206 6.593 1.00 0.42 C ATOM 591 C THR A 41 -8.916 -4.675 6.170 1.00 0.40 C ATOM 592 O THR A 41 -8.807 -5.551 5.315 1.00 0.74 O ATOM 593 CB THR A 41 -10.998 -3.348 5.521 1.00 0.52 C ATOM 594 OG1 THR A 41 -12.024 -2.581 6.120 1.00 0.76 O ATOM 595 CG2 THR A 41 -11.629 -4.229 4.435 1.00 0.98 C ATOM 0 H THR A 41 -10.332 -2.452 7.711 1.00 0.53 H new ATOM 0 HA THR A 41 -10.921 -5.099 6.733 1.00 0.42 H new ATOM 0 HB THR A 41 -10.245 -2.703 5.069 1.00 0.52 H new ATOM 0 HG1 THR A 41 -12.462 -2.031 5.437 1.00 0.76 H new ATOM 0 HG21 THR A 41 -12.109 -3.597 3.687 1.00 0.98 H new ATOM 0 HG22 THR A 41 -10.855 -4.831 3.959 1.00 0.98 H new ATOM 0 HG23 THR A 41 -12.373 -4.886 4.886 1.00 0.98 H new ATOM 603 N GLU A 42 -7.855 -4.087 6.746 1.00 0.35 N ATOM 604 CA GLU A 42 -6.468 -4.393 6.442 1.00 0.53 C ATOM 605 C GLU A 42 -6.236 -4.418 4.937 1.00 0.48 C ATOM 606 O GLU A 42 -5.545 -5.286 4.401 1.00 0.61 O ATOM 607 CB GLU A 42 -6.058 -5.687 7.167 1.00 0.78 C ATOM 608 CG GLU A 42 -5.100 -5.355 8.308 1.00 2.13 C ATOM 609 CD GLU A 42 -5.834 -4.669 9.461 1.00 2.94 C ATOM 610 OE1 GLU A 42 -6.362 -3.553 9.240 1.00 3.89 O ATOM 611 OE2 GLU A 42 -5.913 -5.319 10.522 1.00 3.40 O ATOM 0 H GLU A 42 -7.954 -3.363 7.458 1.00 0.35 H new ATOM 0 HA GLU A 42 -5.815 -3.605 6.817 1.00 0.53 H new ATOM 0 HB2 GLU A 42 -6.942 -6.193 7.556 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -5.581 -6.372 6.466 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -4.626 -6.269 8.667 1.00 2.13 H new ATOM 0 HG3 GLU A 42 -4.304 -4.706 7.942 1.00 2.13 H new ATOM 618 N LYS A 43 -6.818 -3.434 4.249 1.00 0.39 N ATOM 619 CA LYS A 43 -6.844 -3.438 2.805 1.00 0.42 C ATOM 620 C LYS A 43 -6.222 -2.140 2.353 1.00 0.32 C ATOM 621 O LYS A 43 -6.573 -1.066 2.849 1.00 0.47 O ATOM 622 CB LYS A 43 -8.259 -3.686 2.268 1.00 0.70 C ATOM 623 CG LYS A 43 -9.202 -2.480 2.346 1.00 1.29 C ATOM 624 CD LYS A 43 -9.177 -1.682 1.034 1.00 0.88 C ATOM 625 CE LYS A 43 -10.021 -0.416 1.194 1.00 0.49 C ATOM 626 NZ LYS A 43 -10.098 0.357 -0.061 1.00 1.25 N ATOM 0 H LYS A 43 -7.275 -2.629 4.678 1.00 0.39 H new ATOM 0 HA LYS A 43 -6.264 -4.264 2.393 1.00 0.42 H new ATOM 0 HB2 LYS A 43 -8.186 -4.005 1.228 1.00 0.70 H new ATOM 0 HB3 LYS A 43 -8.703 -4.512 2.824 1.00 0.70 H new ATOM 0 HG2 LYS A 43 -10.217 -2.819 2.551 1.00 1.29 H new ATOM 0 HG3 LYS A 43 -8.908 -1.836 3.174 1.00 1.29 H new ATOM 0 HD2 LYS A 43 -8.152 -1.419 0.775 1.00 0.88 H new ATOM 0 HD3 LYS A 43 -9.566 -2.291 0.218 1.00 0.88 H new ATOM 0 HE2 LYS A 43 -11.027 -0.688 1.515 1.00 0.49 H new ATOM 0 HE3 LYS A 43 -9.594 0.208 1.979 1.00 0.49 H new ATOM 0 HZ1 LYS A 43 -10.678 1.207 0.090 1.00 1.25 H new ATOM 0 HZ2 LYS A 43 -9.141 0.639 -0.354 1.00 1.25 H new ATOM 0 HZ3 LYS A 43 -10.529 -0.229 -0.804 1.00 1.25 H new ATOM 640 N LEU A 44 -5.284 -2.253 1.424 1.00 0.25 N ATOM 641 CA LEU A 44 -4.602 -1.151 0.843 1.00 0.29 C ATOM 642 C LEU A 44 -5.210 -0.883 -0.507 1.00 0.28 C ATOM 643 O LEU A 44 -5.471 -1.840 -1.235 1.00 0.36 O ATOM 644 CB LEU A 44 -3.127 -1.563 0.676 1.00 0.40 C ATOM 645 CG LEU A 44 -2.142 -0.668 1.408 1.00 0.58 C ATOM 646 CD1 LEU A 44 -0.908 -0.371 0.558 1.00 0.54 C ATOM 647 CD2 LEU A 44 -2.775 0.664 1.728 1.00 1.17 C ATOM 0 H LEU A 44 -4.981 -3.154 1.055 1.00 0.25 H new ATOM 0 HA LEU A 44 -4.678 -0.256 1.460 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -3.005 -2.586 1.032 1.00 0.40 H new ATOM 0 HB3 LEU A 44 -2.880 -1.564 -0.386 1.00 0.40 H new ATOM 0 HG LEU A 44 -1.857 -1.203 2.314 1.00 0.58 H new ATOM 0 HD11 LEU A 44 -0.228 0.272 1.116 1.00 0.54 H new ATOM 0 HD12 LEU A 44 -0.404 -1.305 0.310 1.00 0.54 H new ATOM 0 HD13 LEU A 44 -1.211 0.132 -0.360 1.00 0.54 H new ATOM 0 HD21 LEU A 44 -2.055 1.292 2.252 1.00 1.17 H new ATOM 0 HD22 LEU A 44 -3.079 1.154 0.803 1.00 1.17 H new ATOM 0 HD23 LEU A 44 -3.649 0.509 2.360 1.00 1.17 H new ATOM 659 N VAL A 45 -5.397 0.393 -0.848 1.00 0.25 N ATOM 660 CA VAL A 45 -5.567 0.801 -2.222 1.00 0.27 C ATOM 661 C VAL A 45 -4.574 1.894 -2.579 1.00 0.30 C ATOM 662 O VAL A 45 -4.210 2.703 -1.727 1.00 0.54 O ATOM 663 CB VAL A 45 -7.028 1.187 -2.483 1.00 0.37 C ATOM 664 CG1 VAL A 45 -7.224 2.071 -3.721 1.00 0.68 C ATOM 665 CG2 VAL A 45 -7.771 -0.126 -2.700 1.00 0.57 C ATOM 0 H VAL A 45 -5.433 1.160 -0.176 1.00 0.25 H new ATOM 0 HA VAL A 45 -5.347 -0.035 -2.886 1.00 0.27 H new ATOM 0 HB VAL A 45 -7.394 1.769 -1.637 1.00 0.37 H new ATOM 0 HG11 VAL A 45 -8.283 2.302 -3.839 1.00 0.68 H new ATOM 0 HG12 VAL A 45 -6.662 2.997 -3.599 1.00 0.68 H new ATOM 0 HG13 VAL A 45 -6.867 1.543 -4.605 1.00 0.68 H new ATOM 0 HG21 VAL A 45 -8.824 0.079 -2.892 1.00 0.57 H new ATOM 0 HG22 VAL A 45 -7.342 -0.650 -3.554 1.00 0.57 H new ATOM 0 HG23 VAL A 45 -7.679 -0.748 -1.809 1.00 0.57 H new ATOM 675 N VAL A 46 -4.132 1.901 -3.836 1.00 0.29 N ATOM 676 CA VAL A 46 -3.248 2.893 -4.401 1.00 0.26 C ATOM 677 C VAL A 46 -3.778 3.247 -5.787 1.00 0.27 C ATOM 678 O VAL A 46 -3.880 2.368 -6.640 1.00 0.34 O ATOM 679 CB VAL A 46 -1.831 2.311 -4.448 1.00 0.33 C ATOM 680 CG1 VAL A 46 -0.907 3.261 -5.210 1.00 0.43 C ATOM 681 CG2 VAL A 46 -1.333 2.080 -3.016 1.00 0.31 C ATOM 0 H VAL A 46 -4.397 1.181 -4.508 1.00 0.29 H new ATOM 0 HA VAL A 46 -3.210 3.804 -3.803 1.00 0.26 H new ATOM 0 HB VAL A 46 -1.836 1.355 -4.972 1.00 0.33 H new ATOM 0 HG11 VAL A 46 0.099 2.843 -5.241 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -1.277 3.391 -6.227 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -0.883 4.227 -4.706 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -0.325 1.666 -3.044 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -1.321 3.028 -2.478 1.00 0.31 H new ATOM 0 HG23 VAL A 46 -1.998 1.382 -2.508 1.00 0.31 H new ATOM 691 N ASP A 47 -4.111 4.519 -6.001 1.00 0.26 N ATOM 692 CA ASP A 47 -4.557 5.055 -7.275 1.00 0.28 C ATOM 693 C ASP A 47 -3.365 5.773 -7.927 1.00 0.28 C ATOM 694 O ASP A 47 -2.823 6.725 -7.356 1.00 0.31 O ATOM 695 CB ASP A 47 -5.800 5.927 -7.056 1.00 0.35 C ATOM 696 CG ASP A 47 -7.079 5.099 -6.909 1.00 1.10 C ATOM 697 OD1 ASP A 47 -7.681 4.774 -7.954 1.00 2.05 O ATOM 698 OD2 ASP A 47 -7.453 4.804 -5.751 1.00 2.36 O ATOM 0 H ASP A 47 -4.075 5.224 -5.264 1.00 0.26 H new ATOM 0 HA ASP A 47 -4.875 4.278 -7.970 1.00 0.28 H new ATOM 0 HB2 ASP A 47 -5.660 6.535 -6.162 1.00 0.35 H new ATOM 0 HB3 ASP A 47 -5.910 6.614 -7.895 1.00 0.35 H new ATOM 703 N ALA A 48 -2.913 5.278 -9.088 1.00 0.37 N ATOM 704 CA ALA A 48 -1.647 5.645 -9.730 1.00 0.35 C ATOM 705 C ALA A 48 -1.802 5.600 -11.256 1.00 0.40 C ATOM 706 O ALA A 48 -2.611 4.815 -11.755 1.00 0.68 O ATOM 707 CB ALA A 48 -0.550 4.670 -9.279 1.00 0.37 C ATOM 0 H ALA A 48 -3.439 4.587 -9.623 1.00 0.37 H new ATOM 0 HA ALA A 48 -1.370 6.658 -9.439 1.00 0.35 H new ATOM 0 HB1 ALA A 48 0.394 4.939 -9.754 1.00 0.37 H new ATOM 0 HB2 ALA A 48 -0.439 4.723 -8.196 1.00 0.37 H new ATOM 0 HB3 ALA A 48 -0.825 3.655 -9.567 1.00 0.37 H new ATOM 713 N ASP A 49 -1.039 6.413 -11.999 1.00 0.37 N ATOM 714 CA ASP A 49 -1.190 6.535 -13.458 1.00 0.43 C ATOM 715 C ASP A 49 -0.103 5.745 -14.198 1.00 0.53 C ATOM 716 O ASP A 49 0.561 6.240 -15.106 1.00 0.76 O ATOM 717 CB ASP A 49 -1.177 8.028 -13.840 1.00 0.55 C ATOM 718 CG ASP A 49 -2.582 8.566 -14.038 1.00 0.87 C ATOM 719 OD1 ASP A 49 -3.296 8.668 -13.021 1.00 1.31 O ATOM 720 OD2 ASP A 49 -2.935 8.830 -15.206 1.00 2.25 O ATOM 0 H ASP A 49 -0.303 7.002 -11.610 1.00 0.37 H new ATOM 0 HA ASP A 49 -2.144 6.103 -13.762 1.00 0.43 H new ATOM 0 HB2 ASP A 49 -0.675 8.599 -13.060 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -0.602 8.165 -14.756 1.00 0.55 H new ATOM 725 N ASN A 50 0.036 4.467 -13.851 1.00 0.47 N ATOM 726 CA ASN A 50 1.122 3.584 -14.243 1.00 0.47 C ATOM 727 C ASN A 50 0.974 2.357 -13.348 1.00 0.61 C ATOM 728 O ASN A 50 0.238 2.447 -12.368 1.00 1.76 O ATOM 729 CB ASN A 50 2.472 4.254 -13.963 1.00 0.47 C ATOM 730 CG ASN A 50 2.631 4.692 -12.503 1.00 0.64 C ATOM 731 OD1 ASN A 50 1.727 5.186 -11.839 1.00 2.53 O ATOM 732 ND2 ASN A 50 3.824 4.505 -11.981 1.00 1.41 N ATOM 0 H ASN A 50 -0.647 3.998 -13.256 1.00 0.47 H new ATOM 0 HA ASN A 50 1.085 3.338 -15.304 1.00 0.47 H new ATOM 0 HB2 ASN A 50 3.275 3.562 -14.219 1.00 0.47 H new ATOM 0 HB3 ASN A 50 2.582 5.123 -14.611 1.00 0.47 H new ATOM 0 HD21 ASN A 50 4.005 4.772 -11.013 1.00 1.41 H new ATOM 0 HD22 ASN A 50 4.568 4.093 -12.544 1.00 1.41 H new ATOM 739 N ASP A 51 1.627 1.225 -13.636 1.00 0.75 N ATOM 740 CA ASP A 51 1.658 0.123 -12.676 1.00 0.59 C ATOM 741 C ASP A 51 2.902 0.229 -11.816 1.00 0.43 C ATOM 742 O ASP A 51 3.998 0.387 -12.351 1.00 0.54 O ATOM 743 CB ASP A 51 1.607 -1.258 -13.330 1.00 0.83 C ATOM 744 CG ASP A 51 1.330 -2.293 -12.240 1.00 2.13 C ATOM 745 OD1 ASP A 51 2.206 -2.500 -11.369 1.00 3.07 O ATOM 746 OD2 ASP A 51 0.194 -2.813 -12.239 1.00 3.30 O ATOM 0 H ASP A 51 2.130 1.052 -14.507 1.00 0.75 H new ATOM 0 HA ASP A 51 0.758 0.216 -12.068 1.00 0.59 H new ATOM 0 HB2 ASP A 51 0.827 -1.290 -14.091 1.00 0.83 H new ATOM 0 HB3 ASP A 51 2.550 -1.476 -13.831 1.00 0.83 H new ATOM 751 N ILE A 52 2.720 0.146 -10.498 1.00 0.32 N ATOM 752 CA ILE A 52 3.820 0.093 -9.551 1.00 0.29 C ATOM 753 C ILE A 52 3.458 -0.847 -8.395 1.00 0.31 C ATOM 754 O ILE A 52 3.898 -0.640 -7.267 1.00 0.38 O ATOM 755 CB ILE A 52 4.202 1.524 -9.100 1.00 0.31 C ATOM 756 CG1 ILE A 52 2.998 2.465 -8.908 1.00 0.37 C ATOM 757 CG2 ILE A 52 5.144 2.170 -10.121 1.00 0.48 C ATOM 758 CD1 ILE A 52 2.060 2.010 -7.791 1.00 0.48 C ATOM 0 H ILE A 52 1.799 0.114 -10.061 1.00 0.32 H new ATOM 0 HA ILE A 52 4.712 -0.322 -10.021 1.00 0.29 H new ATOM 0 HB ILE A 52 4.683 1.398 -8.130 1.00 0.31 H new ATOM 0 HG12 ILE A 52 3.360 3.469 -8.685 1.00 0.37 H new ATOM 0 HG13 ILE A 52 2.439 2.527 -9.842 1.00 0.37 H new ATOM 0 HG21 ILE A 52 5.404 3.176 -9.791 1.00 0.48 H new ATOM 0 HG22 ILE A 52 6.051 1.571 -10.209 1.00 0.48 H new ATOM 0 HG23 ILE A 52 4.648 2.223 -11.090 1.00 0.48 H new ATOM 0 HD11 ILE A 52 1.231 2.712 -7.703 1.00 0.48 H new ATOM 0 HD12 ILE A 52 1.672 1.018 -8.023 1.00 0.48 H new ATOM 0 HD13 ILE A 52 2.607 1.974 -6.849 1.00 0.48 H new ATOM 770 N ARG A 53 2.679 -1.906 -8.647 1.00 0.30 N ATOM 771 CA ARG A 53 2.172 -2.745 -7.553 1.00 0.35 C ATOM 772 C ARG A 53 3.313 -3.464 -6.869 1.00 0.33 C ATOM 773 O ARG A 53 3.433 -3.418 -5.650 1.00 0.33 O ATOM 774 CB ARG A 53 1.158 -3.775 -8.026 1.00 0.40 C ATOM 775 CG ARG A 53 0.059 -3.041 -8.770 1.00 0.44 C ATOM 776 CD ARG A 53 -1.076 -3.953 -9.229 1.00 0.55 C ATOM 777 NE ARG A 53 -0.662 -5.353 -9.430 1.00 0.79 N ATOM 778 CZ ARG A 53 -0.470 -5.965 -10.610 1.00 1.74 C ATOM 779 NH1 ARG A 53 -0.472 -5.277 -11.753 1.00 2.78 N ATOM 780 NH2 ARG A 53 -0.278 -7.283 -10.661 1.00 2.16 N ATOM 0 H ARG A 53 2.390 -2.199 -9.580 1.00 0.30 H new ATOM 0 HA ARG A 53 1.672 -2.073 -6.856 1.00 0.35 H new ATOM 0 HB2 ARG A 53 1.635 -4.509 -8.676 1.00 0.40 H new ATOM 0 HB3 ARG A 53 0.745 -4.321 -7.178 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -0.349 -2.262 -8.125 1.00 0.44 H new ATOM 0 HG3 ARG A 53 0.489 -2.543 -9.639 1.00 0.44 H new ATOM 0 HD2 ARG A 53 -1.877 -3.922 -8.491 1.00 0.55 H new ATOM 0 HD3 ARG A 53 -1.487 -3.567 -10.162 1.00 0.55 H new ATOM 0 HE ARG A 53 -0.506 -5.912 -8.591 1.00 0.79 H new ATOM 0 HH11 ARG A 53 -0.621 -4.268 -11.741 1.00 2.78 H new ATOM 0 HH12 ARG A 53 -0.324 -5.760 -12.639 1.00 2.78 H new ATOM 0 HH21 ARG A 53 -0.276 -7.832 -9.801 1.00 2.16 H new ATOM 0 HH22 ARG A 53 -0.133 -7.743 -11.560 1.00 2.16 H new ATOM 794 N ALA A 54 4.177 -4.080 -7.678 1.00 0.32 N ATOM 795 CA ALA A 54 5.418 -4.669 -7.212 1.00 0.30 C ATOM 796 C ALA A 54 6.220 -3.652 -6.407 1.00 0.30 C ATOM 797 O ALA A 54 6.907 -4.012 -5.453 1.00 0.31 O ATOM 798 CB ALA A 54 6.244 -5.118 -8.416 1.00 0.31 C ATOM 0 H ALA A 54 4.027 -4.181 -8.682 1.00 0.32 H new ATOM 0 HA ALA A 54 5.187 -5.523 -6.575 1.00 0.30 H new ATOM 0 HB1 ALA A 54 7.178 -5.562 -8.071 1.00 0.31 H new ATOM 0 HB2 ALA A 54 5.682 -5.856 -8.988 1.00 0.31 H new ATOM 0 HB3 ALA A 54 6.463 -4.258 -9.049 1.00 0.31 H new ATOM 804 N GLN A 55 6.154 -2.376 -6.803 1.00 0.30 N ATOM 805 CA GLN A 55 6.967 -1.357 -6.175 1.00 0.28 C ATOM 806 C GLN A 55 6.374 -0.994 -4.824 1.00 0.29 C ATOM 807 O GLN A 55 7.107 -0.888 -3.839 1.00 0.31 O ATOM 808 CB GLN A 55 7.159 -0.165 -7.125 1.00 0.30 C ATOM 809 CG GLN A 55 8.648 0.102 -7.383 1.00 0.71 C ATOM 810 CD GLN A 55 8.853 1.006 -8.593 1.00 1.11 C ATOM 811 OE1 GLN A 55 9.490 0.622 -9.567 1.00 2.63 O ATOM 812 NE2 GLN A 55 8.301 2.212 -8.554 1.00 1.58 N ATOM 0 H GLN A 55 5.548 -2.037 -7.550 1.00 0.30 H new ATOM 0 HA GLN A 55 7.970 -1.734 -5.977 1.00 0.28 H new ATOM 0 HB2 GLN A 55 6.653 -0.364 -8.070 1.00 0.30 H new ATOM 0 HB3 GLN A 55 6.696 0.724 -6.696 1.00 0.30 H new ATOM 0 HG2 GLN A 55 9.093 0.565 -6.502 1.00 0.71 H new ATOM 0 HG3 GLN A 55 9.166 -0.844 -7.542 1.00 0.71 H new ATOM 0 HE21 GLN A 55 7.776 2.506 -7.731 1.00 1.58 H new ATOM 0 HE22 GLN A 55 8.402 2.845 -9.348 1.00 1.58 H new ATOM 821 N VAL A 56 5.048 -0.860 -4.757 1.00 0.29 N ATOM 822 CA VAL A 56 4.420 -0.590 -3.490 1.00 0.27 C ATOM 823 C VAL A 56 4.668 -1.792 -2.578 1.00 0.24 C ATOM 824 O VAL A 56 5.150 -1.623 -1.461 1.00 0.25 O ATOM 825 CB VAL A 56 2.935 -0.326 -3.681 1.00 0.28 C ATOM 826 CG1 VAL A 56 2.256 -0.293 -2.311 1.00 0.39 C ATOM 827 CG2 VAL A 56 2.753 1.041 -4.326 1.00 0.41 C ATOM 0 H VAL A 56 4.413 -0.934 -5.552 1.00 0.29 H new ATOM 0 HA VAL A 56 4.843 0.304 -3.032 1.00 0.27 H new ATOM 0 HB VAL A 56 2.502 -1.107 -4.307 1.00 0.28 H new ATOM 0 HG11 VAL A 56 1.190 -0.104 -2.438 1.00 0.39 H new ATOM 0 HG12 VAL A 56 2.398 -1.251 -1.811 1.00 0.39 H new ATOM 0 HG13 VAL A 56 2.696 0.500 -1.706 1.00 0.39 H new ATOM 0 HG21 VAL A 56 1.690 1.238 -4.467 1.00 0.41 H new ATOM 0 HG22 VAL A 56 3.182 1.808 -3.681 1.00 0.41 H new ATOM 0 HG23 VAL A 56 3.256 1.057 -5.293 1.00 0.41 H new ATOM 837 N GLU A 57 4.356 -3.003 -3.061 1.00 0.26 N ATOM 838 CA GLU A 57 4.650 -4.238 -2.348 1.00 0.23 C ATOM 839 C GLU A 57 6.057 -4.208 -1.787 1.00 0.26 C ATOM 840 O GLU A 57 6.194 -4.288 -0.577 1.00 0.30 O ATOM 841 CB GLU A 57 4.423 -5.467 -3.229 1.00 0.24 C ATOM 842 CG GLU A 57 5.110 -6.729 -2.686 1.00 0.34 C ATOM 843 CD GLU A 57 4.517 -8.020 -3.236 1.00 1.25 C ATOM 844 OE1 GLU A 57 3.930 -7.965 -4.335 1.00 2.41 O ATOM 845 OE2 GLU A 57 4.648 -9.038 -2.518 1.00 2.39 O ATOM 0 H GLU A 57 3.892 -3.146 -3.958 1.00 0.26 H new ATOM 0 HA GLU A 57 3.955 -4.315 -1.512 1.00 0.23 H new ATOM 0 HB2 GLU A 57 3.352 -5.652 -3.317 1.00 0.24 H new ATOM 0 HB3 GLU A 57 4.794 -5.261 -4.233 1.00 0.24 H new ATOM 0 HG2 GLU A 57 6.171 -6.691 -2.931 1.00 0.34 H new ATOM 0 HG3 GLU A 57 5.034 -6.737 -1.599 1.00 0.34 H new ATOM 852 N SER A 58 7.083 -4.075 -2.629 1.00 0.25 N ATOM 853 CA SER A 58 8.468 -4.038 -2.176 1.00 0.29 C ATOM 854 C SER A 58 8.615 -3.091 -0.977 1.00 0.31 C ATOM 855 O SER A 58 9.180 -3.458 0.055 1.00 0.34 O ATOM 856 CB SER A 58 9.379 -3.638 -3.343 1.00 0.35 C ATOM 857 OG SER A 58 10.739 -3.809 -3.000 1.00 0.57 O ATOM 0 H SER A 58 6.975 -3.990 -3.640 1.00 0.25 H new ATOM 0 HA SER A 58 8.771 -5.029 -1.838 1.00 0.29 H new ATOM 0 HB2 SER A 58 9.142 -4.242 -4.219 1.00 0.35 H new ATOM 0 HB3 SER A 58 9.196 -2.598 -3.613 1.00 0.35 H new ATOM 0 HG SER A 58 11.303 -3.550 -3.759 1.00 0.57 H new ATOM 863 N ALA A 59 8.051 -1.886 -1.095 1.00 0.31 N ATOM 864 CA ALA A 59 8.072 -0.902 -0.029 1.00 0.33 C ATOM 865 C ALA A 59 7.387 -1.403 1.249 1.00 0.32 C ATOM 866 O ALA A 59 7.997 -1.350 2.314 1.00 0.30 O ATOM 867 CB ALA A 59 7.450 0.397 -0.524 1.00 0.33 C ATOM 0 H ALA A 59 7.568 -1.572 -1.937 1.00 0.31 H new ATOM 0 HA ALA A 59 9.112 -0.720 0.242 1.00 0.33 H new ATOM 0 HB1 ALA A 59 7.466 1.136 0.277 1.00 0.33 H new ATOM 0 HB2 ALA A 59 8.019 0.772 -1.375 1.00 0.33 H new ATOM 0 HB3 ALA A 59 6.420 0.214 -0.829 1.00 0.33 H new ATOM 873 N LEU A 60 6.134 -1.871 1.188 1.00 0.35 N ATOM 874 CA LEU A 60 5.431 -2.413 2.345 1.00 0.28 C ATOM 875 C LEU A 60 6.189 -3.573 2.976 1.00 0.27 C ATOM 876 O LEU A 60 6.357 -3.651 4.194 1.00 0.30 O ATOM 877 CB LEU A 60 4.046 -2.874 1.935 1.00 0.25 C ATOM 878 CG LEU A 60 3.173 -1.639 1.892 1.00 0.45 C ATOM 879 CD1 LEU A 60 2.413 -1.597 0.586 1.00 0.94 C ATOM 880 CD2 LEU A 60 2.229 -1.631 3.070 1.00 1.18 C ATOM 0 H LEU A 60 5.583 -1.882 0.330 1.00 0.35 H new ATOM 0 HA LEU A 60 5.355 -1.619 3.088 1.00 0.28 H new ATOM 0 HB2 LEU A 60 4.073 -3.363 0.961 1.00 0.25 H new ATOM 0 HB3 LEU A 60 3.654 -3.601 2.646 1.00 0.25 H new ATOM 0 HG LEU A 60 3.799 -0.749 1.955 1.00 0.45 H new ATOM 0 HD11 LEU A 60 1.785 -0.706 0.559 1.00 0.94 H new ATOM 0 HD12 LEU A 60 3.118 -1.570 -0.245 1.00 0.94 H new ATOM 0 HD13 LEU A 60 1.787 -2.485 0.501 1.00 0.94 H new ATOM 0 HD21 LEU A 60 1.605 -0.738 3.030 1.00 1.18 H new ATOM 0 HD22 LEU A 60 1.596 -2.518 3.035 1.00 1.18 H new ATOM 0 HD23 LEU A 60 2.803 -1.631 3.996 1.00 1.18 H new ATOM 892 N GLN A 61 6.629 -4.489 2.123 1.00 0.28 N ATOM 893 CA GLN A 61 7.373 -5.664 2.539 1.00 0.34 C ATOM 894 C GLN A 61 8.589 -5.221 3.339 1.00 0.33 C ATOM 895 O GLN A 61 8.803 -5.686 4.457 1.00 0.36 O ATOM 896 CB GLN A 61 7.738 -6.527 1.323 1.00 0.40 C ATOM 897 CG GLN A 61 7.422 -8.016 1.536 1.00 0.46 C ATOM 898 CD GLN A 61 7.051 -8.697 0.221 1.00 0.93 C ATOM 899 OE1 GLN A 61 7.914 -9.204 -0.487 1.00 2.23 O ATOM 900 NE2 GLN A 61 5.760 -8.697 -0.101 1.00 0.61 N ATOM 0 H GLN A 61 6.477 -4.434 1.116 1.00 0.28 H new ATOM 0 HA GLN A 61 6.760 -6.293 3.185 1.00 0.34 H new ATOM 0 HB2 GLN A 61 7.194 -6.166 0.450 1.00 0.40 H new ATOM 0 HB3 GLN A 61 8.800 -6.412 1.107 1.00 0.40 H new ATOM 0 HG2 GLN A 61 8.286 -8.514 1.975 1.00 0.46 H new ATOM 0 HG3 GLN A 61 6.601 -8.118 2.245 1.00 0.46 H new ATOM 0 HE21 GLN A 61 5.079 -8.262 0.522 1.00 0.61 H new ATOM 0 HE22 GLN A 61 5.451 -9.132 -0.970 1.00 0.61 H new ATOM 909 N LYS A 62 9.352 -4.273 2.789 1.00 0.34 N ATOM 910 CA LYS A 62 10.508 -3.743 3.481 1.00 0.38 C ATOM 911 C LYS A 62 10.097 -3.018 4.772 1.00 0.36 C ATOM 912 O LYS A 62 10.776 -3.132 5.790 1.00 0.41 O ATOM 913 CB LYS A 62 11.300 -2.817 2.552 1.00 0.47 C ATOM 914 CG LYS A 62 12.675 -2.514 3.158 1.00 1.27 C ATOM 915 CD LYS A 62 13.389 -1.435 2.337 1.00 1.73 C ATOM 916 CE LYS A 62 14.838 -1.224 2.802 1.00 2.96 C ATOM 917 NZ LYS A 62 14.932 -0.855 4.231 1.00 3.96 N ATOM 0 H LYS A 62 9.183 -3.864 1.870 1.00 0.34 H new ATOM 0 HA LYS A 62 11.151 -4.575 3.767 1.00 0.38 H new ATOM 0 HB2 LYS A 62 11.420 -3.285 1.575 1.00 0.47 H new ATOM 0 HB3 LYS A 62 10.750 -1.889 2.396 1.00 0.47 H new ATOM 0 HG2 LYS A 62 12.560 -2.180 4.189 1.00 1.27 H new ATOM 0 HG3 LYS A 62 13.278 -3.422 3.182 1.00 1.27 H new ATOM 0 HD2 LYS A 62 13.383 -1.717 1.284 1.00 1.73 H new ATOM 0 HD3 LYS A 62 12.842 -0.496 2.418 1.00 1.73 H new ATOM 0 HE2 LYS A 62 15.407 -2.137 2.629 1.00 2.96 H new ATOM 0 HE3 LYS A 62 15.299 -0.442 2.198 1.00 2.96 H new ATOM 0 HZ1 LYS A 62 15.919 -0.626 4.466 1.00 3.96 H new ATOM 0 HZ2 LYS A 62 14.331 -0.027 4.416 1.00 3.96 H new ATOM 0 HZ3 LYS A 62 14.613 -1.652 4.817 1.00 3.96 H new ATOM 931 N ALA A 63 9.024 -2.225 4.712 1.00 0.33 N ATOM 932 CA ALA A 63 8.507 -1.458 5.839 1.00 0.37 C ATOM 933 C ALA A 63 8.147 -2.373 7.009 1.00 0.40 C ATOM 934 O ALA A 63 8.353 -1.990 8.159 1.00 0.50 O ATOM 935 CB ALA A 63 7.298 -0.625 5.404 1.00 0.38 C ATOM 0 H ALA A 63 8.481 -2.098 3.858 1.00 0.33 H new ATOM 0 HA ALA A 63 9.290 -0.780 6.179 1.00 0.37 H new ATOM 0 HB1 ALA A 63 6.922 -0.057 6.255 1.00 0.38 H new ATOM 0 HB2 ALA A 63 7.596 0.063 4.612 1.00 0.38 H new ATOM 0 HB3 ALA A 63 6.514 -1.286 5.034 1.00 0.38 H new ATOM 941 N GLY A 64 7.620 -3.561 6.707 1.00 0.41 N ATOM 942 CA GLY A 64 7.405 -4.630 7.669 1.00 0.48 C ATOM 943 C GLY A 64 5.955 -5.097 7.651 1.00 0.48 C ATOM 944 O GLY A 64 5.305 -5.119 8.695 1.00 0.70 O ATOM 0 H GLY A 64 7.325 -3.807 5.762 1.00 0.41 H new ATOM 0 HA2 GLY A 64 8.064 -5.468 7.440 1.00 0.48 H new ATOM 0 HA3 GLY A 64 7.667 -4.283 8.669 1.00 0.48 H new ATOM 948 N TYR A 65 5.448 -5.478 6.475 1.00 0.33 N ATOM 949 CA TYR A 65 4.097 -5.996 6.312 1.00 0.39 C ATOM 950 C TYR A 65 4.115 -7.181 5.353 1.00 0.38 C ATOM 951 O TYR A 65 4.882 -7.182 4.394 1.00 0.77 O ATOM 952 CB TYR A 65 3.188 -4.903 5.747 1.00 0.51 C ATOM 953 CG TYR A 65 3.197 -3.607 6.529 1.00 0.58 C ATOM 954 CD1 TYR A 65 2.711 -3.579 7.848 1.00 1.73 C ATOM 955 CD2 TYR A 65 3.808 -2.463 5.986 1.00 2.08 C ATOM 956 CE1 TYR A 65 2.901 -2.437 8.641 1.00 1.76 C ATOM 957 CE2 TYR A 65 3.956 -1.303 6.763 1.00 2.11 C ATOM 958 CZ TYR A 65 3.548 -1.311 8.105 1.00 0.77 C ATOM 959 OH TYR A 65 3.843 -0.252 8.906 1.00 0.91 O ATOM 0 H TYR A 65 5.975 -5.433 5.603 1.00 0.33 H new ATOM 0 HA TYR A 65 3.719 -6.317 7.283 1.00 0.39 H new ATOM 0 HB2 TYR A 65 3.488 -4.694 4.720 1.00 0.51 H new ATOM 0 HB3 TYR A 65 2.167 -5.282 5.710 1.00 0.51 H new ATOM 0 HD1 TYR A 65 2.192 -4.436 8.251 1.00 1.73 H new ATOM 0 HD2 TYR A 65 4.165 -2.477 4.967 1.00 2.08 H new ATOM 0 HE1 TYR A 65 2.550 -2.424 9.662 1.00 1.76 H new ATOM 0 HE2 TYR A 65 4.381 -0.410 6.330 1.00 2.11 H new ATOM 0 HH TYR A 65 4.784 -0.004 8.787 1.00 0.91 H new ATOM 969 N SER A 66 3.250 -8.171 5.574 1.00 0.42 N ATOM 970 CA SER A 66 3.009 -9.228 4.613 1.00 0.41 C ATOM 971 C SER A 66 1.795 -8.823 3.790 1.00 0.32 C ATOM 972 O SER A 66 0.734 -8.588 4.374 1.00 0.48 O ATOM 973 CB SER A 66 2.720 -10.524 5.367 1.00 0.64 C ATOM 974 OG SER A 66 1.716 -10.290 6.336 1.00 2.14 O ATOM 0 H SER A 66 2.700 -8.256 6.429 1.00 0.42 H new ATOM 0 HA SER A 66 3.872 -9.383 3.965 1.00 0.41 H new ATOM 0 HB2 SER A 66 2.396 -11.298 4.671 1.00 0.64 H new ATOM 0 HB3 SER A 66 3.628 -10.888 5.848 1.00 0.64 H new ATOM 0 HG SER A 66 1.104 -9.596 6.012 1.00 2.14 H new ATOM 980 N LEU A 67 1.938 -8.783 2.466 1.00 0.31 N ATOM 981 CA LEU A 67 0.829 -8.662 1.551 1.00 0.33 C ATOM 982 C LEU A 67 1.061 -9.597 0.375 1.00 0.45 C ATOM 983 O LEU A 67 2.087 -10.276 0.312 1.00 0.50 O ATOM 984 CB LEU A 67 0.625 -7.199 1.147 1.00 0.29 C ATOM 985 CG LEU A 67 1.801 -6.525 0.433 1.00 0.36 C ATOM 986 CD1 LEU A 67 1.965 -7.061 -0.986 1.00 0.72 C ATOM 987 CD2 LEU A 67 1.504 -5.023 0.452 1.00 0.82 C ATOM 0 H LEU A 67 2.845 -8.835 2.003 1.00 0.31 H new ATOM 0 HA LEU A 67 -0.103 -8.965 2.028 1.00 0.33 H new ATOM 0 HB2 LEU A 67 -0.249 -7.141 0.498 1.00 0.29 H new ATOM 0 HB3 LEU A 67 0.394 -6.625 2.044 1.00 0.29 H new ATOM 0 HG LEU A 67 2.747 -6.735 0.933 1.00 0.36 H new ATOM 0 HD11 LEU A 67 2.807 -6.564 -1.468 1.00 0.72 H new ATOM 0 HD12 LEU A 67 2.149 -8.135 -0.950 1.00 0.72 H new ATOM 0 HD13 LEU A 67 1.056 -6.868 -1.555 1.00 0.72 H new ATOM 0 HD21 LEU A 67 2.312 -4.486 -0.045 1.00 0.82 H new ATOM 0 HD22 LEU A 67 0.566 -4.831 -0.069 1.00 0.82 H new ATOM 0 HD23 LEU A 67 1.423 -4.681 1.484 1.00 0.82 H new ATOM 999 N ARG A 68 0.069 -9.682 -0.510 1.00 0.59 N ATOM 1000 CA ARG A 68 0.076 -10.546 -1.671 1.00 0.68 C ATOM 1001 C ARG A 68 -0.619 -9.734 -2.762 1.00 0.74 C ATOM 1002 O ARG A 68 -1.830 -9.549 -2.664 1.00 1.16 O ATOM 1003 CB ARG A 68 -0.724 -11.826 -1.376 1.00 0.80 C ATOM 1004 CG ARG A 68 -0.487 -12.501 -0.010 1.00 0.58 C ATOM 1005 CD ARG A 68 0.012 -13.951 -0.104 1.00 1.52 C ATOM 1006 NE ARG A 68 1.483 -14.010 -0.188 1.00 2.55 N ATOM 1007 CZ ARG A 68 2.200 -15.137 -0.354 1.00 3.31 C ATOM 1008 NH1 ARG A 68 1.587 -16.277 -0.694 1.00 3.52 N ATOM 1009 NH2 ARG A 68 3.524 -15.124 -0.170 1.00 4.43 N ATOM 0 H ARG A 68 -0.785 -9.131 -0.429 1.00 0.59 H new ATOM 0 HA ARG A 68 1.082 -10.850 -1.958 1.00 0.68 H new ATOM 0 HB2 ARG A 68 -1.785 -11.589 -1.457 1.00 0.80 H new ATOM 0 HB3 ARG A 68 -0.500 -12.553 -2.156 1.00 0.80 H new ATOM 0 HG2 ARG A 68 0.239 -11.914 0.552 1.00 0.58 H new ATOM 0 HG3 ARG A 68 -1.417 -12.485 0.557 1.00 0.58 H new ATOM 0 HD2 ARG A 68 -0.327 -14.511 0.768 1.00 1.52 H new ATOM 0 HD3 ARG A 68 -0.423 -14.431 -0.980 1.00 1.52 H new ATOM 0 HE ARG A 68 1.995 -13.131 -0.115 1.00 2.55 H new ATOM 0 HH11 ARG A 68 0.576 -16.292 -0.828 1.00 3.52 H new ATOM 0 HH12 ARG A 68 2.131 -17.131 -0.820 1.00 3.52 H new ATOM 0 HH21 ARG A 68 3.993 -14.259 0.097 1.00 4.43 H new ATOM 0 HH22 ARG A 68 4.065 -15.979 -0.296 1.00 4.43 H new ATOM 1023 N ASP A 69 0.144 -9.202 -3.720 1.00 0.67 N ATOM 1024 CA ASP A 69 -0.325 -8.410 -4.860 1.00 0.70 C ATOM 1025 C ASP A 69 -1.748 -8.778 -5.289 1.00 0.64 C ATOM 1026 O ASP A 69 -1.951 -9.785 -5.967 1.00 0.89 O ATOM 1027 CB ASP A 69 0.616 -8.654 -6.040 1.00 0.85 C ATOM 1028 CG ASP A 69 0.200 -7.875 -7.276 1.00 1.92 C ATOM 1029 OD1 ASP A 69 -0.194 -6.698 -7.138 1.00 3.44 O ATOM 1030 OD2 ASP A 69 0.280 -8.455 -8.378 1.00 2.56 O ATOM 0 H ASP A 69 1.157 -9.318 -3.722 1.00 0.67 H new ATOM 0 HA ASP A 69 -0.332 -7.364 -4.555 1.00 0.70 H new ATOM 0 HB2 ASP A 69 1.630 -8.371 -5.758 1.00 0.85 H new ATOM 0 HB3 ASP A 69 0.635 -9.719 -6.273 1.00 0.85 H new ATOM 1035 N GLU A 70 -2.738 -8.006 -4.846 1.00 0.53 N ATOM 1036 CA GLU A 70 -4.123 -8.344 -5.102 1.00 0.55 C ATOM 1037 C GLU A 70 -4.526 -7.803 -6.472 1.00 0.52 C ATOM 1038 O GLU A 70 -3.943 -6.848 -6.986 1.00 0.66 O ATOM 1039 CB GLU A 70 -4.994 -7.817 -3.955 1.00 0.70 C ATOM 1040 CG GLU A 70 -6.079 -8.765 -3.474 1.00 0.56 C ATOM 1041 CD GLU A 70 -7.186 -8.952 -4.488 1.00 1.30 C ATOM 1042 OE1 GLU A 70 -7.012 -9.876 -5.311 1.00 2.41 O ATOM 1043 OE2 GLU A 70 -8.151 -8.164 -4.427 1.00 2.13 O ATOM 0 H GLU A 70 -2.601 -7.148 -4.312 1.00 0.53 H new ATOM 0 HA GLU A 70 -4.267 -9.424 -5.134 1.00 0.55 H new ATOM 0 HB2 GLU A 70 -4.347 -7.574 -3.112 1.00 0.70 H new ATOM 0 HB3 GLU A 70 -5.463 -6.887 -4.275 1.00 0.70 H new ATOM 0 HG2 GLU A 70 -5.634 -9.734 -3.246 1.00 0.56 H new ATOM 0 HG3 GLU A 70 -6.504 -8.383 -2.546 1.00 0.56 H new ATOM 1050 N GLN A 71 -5.538 -8.439 -7.053 1.00 0.71 N ATOM 1051 CA GLN A 71 -6.252 -7.981 -8.230 1.00 0.68 C ATOM 1052 C GLN A 71 -6.434 -6.462 -8.187 1.00 0.69 C ATOM 1053 O GLN A 71 -7.067 -5.940 -7.270 1.00 1.00 O ATOM 1054 CB GLN A 71 -7.611 -8.686 -8.262 1.00 0.89 C ATOM 1055 CG GLN A 71 -8.525 -8.222 -9.411 1.00 1.77 C ATOM 1056 CD GLN A 71 -9.819 -7.588 -8.901 1.00 2.88 C ATOM 1057 OE1 GLN A 71 -10.906 -7.982 -9.306 1.00 3.57 O ATOM 1058 NE2 GLN A 71 -9.730 -6.613 -8.000 1.00 3.75 N ATOM 0 H GLN A 71 -5.895 -9.326 -6.698 1.00 0.71 H new ATOM 0 HA GLN A 71 -5.686 -8.219 -9.131 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -7.450 -9.761 -8.349 1.00 0.89 H new ATOM 0 HB3 GLN A 71 -8.121 -8.516 -7.314 1.00 0.89 H new ATOM 0 HG2 GLN A 71 -7.990 -7.502 -10.031 1.00 1.77 H new ATOM 0 HG3 GLN A 71 -8.766 -9.073 -10.047 1.00 1.77 H new ATOM 0 HE21 GLN A 71 -8.815 -6.300 -7.676 1.00 3.75 H new ATOM 0 HE22 GLN A 71 -10.577 -6.179 -7.633 1.00 3.75 H new