USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 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 Single : A 4 THR OG1 : rot 30:sc= 0.246 USER MOD Single : A 6 TYR OH : rot 166:sc= 0.238 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 167:sc= 0 (180deg=-0.14) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.121 K(o=0.12,f=-3.9!) USER MOD Single : A 28 GLN : amide:sc= 0.376 X(o=0.38,f=-0.047) USER MOD Single : A 33 ASN : amide:sc= 1.14 K(o=1.1,f=-0.29) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0263) USER MOD Single : A 50 ASN : amide:sc= -0.545 X(o=-0.55,f=-0.62) USER MOD Single : A 55 GLN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.993 K(o=0.99,f=-0.1) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0368) USER MOD Single : A 65 TYR OH : rot -109:sc= 0.441 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.16 F(o=-2.2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.003 4.003 -12.652 1.00 0.51 N ATOM 20 CA THR A 4 -5.533 2.705 -12.273 1.00 0.39 C ATOM 21 C THR A 4 -5.474 2.543 -10.771 1.00 0.36 C ATOM 22 O THR A 4 -4.489 2.926 -10.138 1.00 0.49 O ATOM 23 CB THR A 4 -4.777 1.588 -12.997 1.00 0.47 C ATOM 24 OG1 THR A 4 -4.825 1.882 -14.366 1.00 0.92 O ATOM 25 CG2 THR A 4 -5.430 0.217 -12.808 1.00 0.72 C ATOM 0 HA THR A 4 -6.578 2.639 -12.575 1.00 0.39 H new ATOM 0 HB THR A 4 -3.765 1.542 -12.594 1.00 0.47 H new ATOM 0 HG1 THR A 4 -4.873 2.853 -14.491 1.00 0.92 H new ATOM 0 HG21 THR A 4 -4.853 -0.538 -13.342 1.00 0.72 H new ATOM 0 HG22 THR A 4 -5.456 -0.030 -11.747 1.00 0.72 H new ATOM 0 HG23 THR A 4 -6.447 0.241 -13.200 1.00 0.72 H new ATOM 33 N ARG A 5 -6.515 1.900 -10.245 1.00 0.38 N ATOM 34 CA ARG A 5 -6.625 1.579 -8.849 1.00 0.39 C ATOM 35 C ARG A 5 -6.116 0.161 -8.680 1.00 0.37 C ATOM 36 O ARG A 5 -6.594 -0.764 -9.329 1.00 0.60 O ATOM 37 CB ARG A 5 -8.080 1.658 -8.397 1.00 0.55 C ATOM 38 CG ARG A 5 -8.137 1.405 -6.884 1.00 0.62 C ATOM 39 CD ARG A 5 -9.370 0.589 -6.519 1.00 0.95 C ATOM 40 NE ARG A 5 -10.580 1.404 -6.682 1.00 1.54 N ATOM 41 CZ ARG A 5 -11.828 0.975 -6.447 1.00 2.23 C ATOM 42 NH1 ARG A 5 -12.036 -0.305 -6.117 1.00 2.73 N ATOM 43 NH2 ARG A 5 -12.853 1.830 -6.532 1.00 3.28 N ATOM 0 H ARG A 5 -7.313 1.588 -10.799 1.00 0.38 H new ATOM 0 HA ARG A 5 -6.048 2.282 -8.248 1.00 0.39 H new ATOM 0 HB2 ARG A 5 -8.497 2.637 -8.633 1.00 0.55 H new ATOM 0 HB3 ARG A 5 -8.681 0.919 -8.927 1.00 0.55 H new ATOM 0 HG2 ARG A 5 -7.238 0.877 -6.565 1.00 0.62 H new ATOM 0 HG3 ARG A 5 -8.154 2.356 -6.352 1.00 0.62 H new ATOM 0 HD2 ARG A 5 -9.430 -0.296 -7.152 1.00 0.95 H new ATOM 0 HD3 ARG A 5 -9.293 0.240 -5.489 1.00 0.95 H new ATOM 0 HE ARG A 5 -10.463 2.367 -6.997 1.00 1.54 H new ATOM 0 HH11 ARG A 5 -11.247 -0.948 -6.046 1.00 2.73 H new ATOM 0 HH12 ARG A 5 -12.983 -0.638 -5.937 1.00 2.73 H new ATOM 0 HH21 ARG A 5 -12.684 2.806 -6.775 1.00 3.28 H new ATOM 0 HH22 ARG A 5 -13.804 1.506 -6.354 1.00 3.28 H new ATOM 57 N TYR A 6 -5.142 0.031 -7.794 1.00 0.30 N ATOM 58 CA TYR A 6 -4.600 -1.216 -7.285 1.00 0.30 C ATOM 59 C TYR A 6 -5.034 -1.530 -5.858 1.00 0.31 C ATOM 60 O TYR A 6 -5.077 -0.607 -5.044 1.00 0.48 O ATOM 61 CB TYR A 6 -3.097 -1.145 -7.401 1.00 0.30 C ATOM 62 CG TYR A 6 -2.594 -0.707 -8.748 1.00 0.32 C ATOM 63 CD1 TYR A 6 -3.147 -1.258 -9.914 1.00 1.61 C ATOM 64 CD2 TYR A 6 -1.575 0.253 -8.832 1.00 1.73 C ATOM 65 CE1 TYR A 6 -2.720 -0.816 -11.168 1.00 1.57 C ATOM 66 CE2 TYR A 6 -1.135 0.678 -10.089 1.00 1.85 C ATOM 67 CZ TYR A 6 -1.756 0.195 -11.254 1.00 0.59 C ATOM 68 OH TYR A 6 -1.471 0.742 -12.463 1.00 0.77 O ATOM 0 H TYR A 6 -4.681 0.845 -7.387 1.00 0.30 H new ATOM 0 HA TYR A 6 -4.996 -2.037 -7.882 1.00 0.30 H new ATOM 0 HB2 TYR A 6 -2.719 -0.456 -6.645 1.00 0.30 H new ATOM 0 HB3 TYR A 6 -2.681 -2.127 -7.174 1.00 0.30 H new ATOM 0 HD1 TYR A 6 -3.904 -2.025 -9.842 1.00 1.61 H new ATOM 0 HD2 TYR A 6 -1.134 0.660 -7.934 1.00 1.73 H new ATOM 0 HE1 TYR A 6 -3.131 -1.252 -12.066 1.00 1.57 H new ATOM 0 HE2 TYR A 6 -0.317 1.379 -10.165 1.00 1.85 H new ATOM 0 HH TYR A 6 -0.957 1.567 -12.336 1.00 0.77 H new ATOM 78 N SER A 7 -5.320 -2.812 -5.556 1.00 0.25 N ATOM 79 CA SER A 7 -5.715 -3.274 -4.228 1.00 0.30 C ATOM 80 C SER A 7 -4.668 -4.246 -3.644 1.00 0.27 C ATOM 81 O SER A 7 -4.044 -4.988 -4.402 1.00 0.28 O ATOM 82 CB SER A 7 -7.101 -3.922 -4.339 1.00 0.40 C ATOM 83 OG SER A 7 -7.976 -3.071 -5.067 1.00 2.04 O ATOM 0 H SER A 7 -5.280 -3.562 -6.246 1.00 0.25 H new ATOM 0 HA SER A 7 -5.767 -2.432 -3.538 1.00 0.30 H new ATOM 0 HB2 SER A 7 -7.021 -4.888 -4.837 1.00 0.40 H new ATOM 0 HB3 SER A 7 -7.505 -4.109 -3.344 1.00 0.40 H new ATOM 0 HG SER A 7 -8.859 -3.491 -5.136 1.00 2.04 H new ATOM 89 N TRP A 8 -4.437 -4.227 -2.319 1.00 0.29 N ATOM 90 CA TRP A 8 -3.622 -5.222 -1.597 1.00 0.33 C ATOM 91 C TRP A 8 -4.372 -5.691 -0.357 1.00 0.32 C ATOM 92 O TRP A 8 -5.288 -5.001 0.089 1.00 0.41 O ATOM 93 CB TRP A 8 -2.274 -4.692 -1.121 1.00 0.42 C ATOM 94 CG TRP A 8 -1.334 -4.103 -2.105 1.00 0.48 C ATOM 95 CD1 TRP A 8 -0.140 -4.590 -2.476 1.00 0.68 C ATOM 96 CD2 TRP A 8 -1.482 -2.910 -2.896 1.00 0.49 C ATOM 97 NE1 TRP A 8 0.552 -3.554 -3.098 1.00 0.96 N ATOM 98 CE2 TRP A 8 -0.188 -2.372 -3.087 1.00 0.92 C ATOM 99 CE3 TRP A 8 -2.272 -2.635 -4.027 1.00 0.76 C ATOM 100 CZ2 TRP A 8 -0.146 -1.188 -3.859 1.00 1.10 C ATOM 101 CZ3 TRP A 8 -1.547 -2.410 -5.233 1.00 0.76 C ATOM 102 CH2 TRP A 8 -0.589 -1.398 -5.154 1.00 0.49 C ATOM 0 H TRP A 8 -4.819 -3.505 -1.708 1.00 0.29 H new ATOM 0 HA TRP A 8 -3.441 -6.024 -2.312 1.00 0.33 H new ATOM 0 HB2 TRP A 8 -2.470 -3.934 -0.362 1.00 0.42 H new ATOM 0 HB3 TRP A 8 -1.756 -5.513 -0.625 1.00 0.42 H new ATOM 0 HD1 TRP A 8 0.218 -5.597 -2.321 1.00 0.68 H new ATOM 0 HE1 TRP A 8 1.481 -3.648 -3.509 1.00 0.96 H new ATOM 0 HE3 TRP A 8 -3.350 -2.597 -3.984 1.00 0.76 H new ATOM 0 HZ2 TRP A 8 0.191 -0.233 -3.483 1.00 1.10 H new ATOM 0 HZ3 TRP A 8 -1.724 -2.977 -6.135 1.00 0.76 H new ATOM 0 HH2 TRP A 8 -0.233 -0.841 -6.008 1.00 0.49 H new ATOM 113 N LYS A 9 -3.920 -6.806 0.235 1.00 0.34 N ATOM 114 CA LYS A 9 -4.421 -7.353 1.484 1.00 0.33 C ATOM 115 C LYS A 9 -3.240 -7.396 2.448 1.00 0.37 C ATOM 116 O LYS A 9 -2.316 -8.161 2.183 1.00 0.52 O ATOM 117 CB LYS A 9 -5.016 -8.749 1.219 1.00 0.40 C ATOM 118 CG LYS A 9 -4.107 -9.724 0.432 1.00 1.76 C ATOM 119 CD LYS A 9 -4.927 -10.557 -0.562 1.00 1.18 C ATOM 120 CE LYS A 9 -5.853 -11.576 0.115 1.00 1.24 C ATOM 121 NZ LYS A 9 -5.319 -12.948 0.034 1.00 2.61 N ATOM 0 H LYS A 9 -3.167 -7.365 -0.166 1.00 0.34 H new ATOM 0 HA LYS A 9 -5.217 -6.747 1.918 1.00 0.33 H new ATOM 0 HB2 LYS A 9 -5.266 -9.206 2.177 1.00 0.40 H new ATOM 0 HB3 LYS A 9 -5.950 -8.628 0.670 1.00 0.40 H new ATOM 0 HG2 LYS A 9 -3.342 -9.162 -0.103 1.00 1.76 H new ATOM 0 HG3 LYS A 9 -3.589 -10.386 1.127 1.00 1.76 H new ATOM 0 HD2 LYS A 9 -5.526 -9.887 -1.179 1.00 1.18 H new ATOM 0 HD3 LYS A 9 -4.247 -11.084 -1.231 1.00 1.18 H new ATOM 0 HE2 LYS A 9 -5.990 -11.302 1.161 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -6.836 -11.541 -0.355 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -5.975 -13.604 0.503 1.00 2.61 H new ATOM 0 HZ2 LYS A 9 -5.212 -13.220 -0.964 1.00 2.61 H new ATOM 0 HZ3 LYS A 9 -4.393 -12.988 0.505 1.00 2.61 H new ATOM 135 N VAL A 10 -3.210 -6.561 3.498 1.00 0.35 N ATOM 136 CA VAL A 10 -2.069 -6.470 4.390 1.00 0.41 C ATOM 137 C VAL A 10 -2.460 -7.110 5.716 1.00 0.53 C ATOM 138 O VAL A 10 -3.642 -7.200 6.037 1.00 1.00 O ATOM 139 CB VAL A 10 -1.692 -4.992 4.591 1.00 0.45 C ATOM 140 CG1 VAL A 10 -0.321 -4.873 5.250 1.00 0.63 C ATOM 141 CG2 VAL A 10 -1.616 -4.219 3.273 1.00 0.49 C ATOM 0 H VAL A 10 -3.978 -5.937 3.743 1.00 0.35 H new ATOM 0 HA VAL A 10 -1.205 -6.987 3.972 1.00 0.41 H new ATOM 0 HB VAL A 10 -2.478 -4.570 5.217 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -0.072 -3.820 5.384 1.00 0.63 H new ATOM 0 HG12 VAL A 10 -0.340 -5.368 6.221 1.00 0.63 H new ATOM 0 HG13 VAL A 10 0.429 -5.346 4.616 1.00 0.63 H new ATOM 0 HG21 VAL A 10 -1.346 -3.182 3.474 1.00 0.49 H new ATOM 0 HG22 VAL A 10 -0.862 -4.671 2.629 1.00 0.49 H new ATOM 0 HG23 VAL A 10 -2.585 -4.252 2.776 1.00 0.49 H new ATOM 151 N SER A 11 -1.469 -7.527 6.500 1.00 0.41 N ATOM 152 CA SER A 11 -1.658 -7.906 7.886 1.00 0.61 C ATOM 153 C SER A 11 -0.437 -7.367 8.624 1.00 0.56 C ATOM 154 O SER A 11 0.674 -7.816 8.338 1.00 0.62 O ATOM 155 CB SER A 11 -1.780 -9.435 7.979 1.00 0.79 C ATOM 156 OG SER A 11 -2.699 -9.806 8.985 1.00 1.40 O ATOM 0 H SER A 11 -0.504 -7.610 6.181 1.00 0.41 H new ATOM 0 HA SER A 11 -2.568 -7.500 8.326 1.00 0.61 H new ATOM 0 HB2 SER A 11 -2.103 -9.837 7.019 1.00 0.79 H new ATOM 0 HB3 SER A 11 -0.804 -9.870 8.194 1.00 0.79 H new ATOM 0 HG SER A 11 -2.763 -10.783 9.026 1.00 1.40 H new ATOM 162 N GLY A 12 -0.617 -6.374 9.500 1.00 0.68 N ATOM 163 CA GLY A 12 0.451 -5.887 10.361 1.00 0.79 C ATOM 164 C GLY A 12 0.445 -4.369 10.519 1.00 1.03 C ATOM 165 O GLY A 12 1.104 -3.861 11.425 1.00 1.46 O ATOM 0 H GLY A 12 -1.506 -5.890 9.628 1.00 0.68 H new ATOM 0 HA2 GLY A 12 0.357 -6.349 11.344 1.00 0.79 H new ATOM 0 HA3 GLY A 12 1.411 -6.200 9.952 1.00 0.79 H new ATOM 169 N MET A 13 -0.294 -3.622 9.690 1.00 0.84 N ATOM 170 CA MET A 13 -0.411 -2.169 9.838 1.00 0.99 C ATOM 171 C MET A 13 -1.285 -1.747 11.031 1.00 1.42 C ATOM 172 O MET A 13 -2.006 -0.748 10.972 1.00 2.40 O ATOM 173 CB MET A 13 -0.879 -1.522 8.529 1.00 0.81 C ATOM 174 CG MET A 13 -2.175 -2.100 7.946 1.00 1.16 C ATOM 175 SD MET A 13 -3.101 -0.910 6.939 1.00 1.59 S ATOM 176 CE MET A 13 -4.226 -2.001 6.045 1.00 2.07 C ATOM 0 H MET A 13 -0.822 -4.004 8.906 1.00 0.84 H new ATOM 0 HA MET A 13 0.588 -1.797 10.063 1.00 0.99 H new ATOM 0 HB2 MET A 13 -1.019 -0.455 8.699 1.00 0.81 H new ATOM 0 HB3 MET A 13 -0.087 -1.625 7.787 1.00 0.81 H new ATOM 0 HG2 MET A 13 -1.934 -2.971 7.337 1.00 1.16 H new ATOM 0 HG3 MET A 13 -2.809 -2.447 8.762 1.00 1.16 H new ATOM 0 HE1 MET A 13 -5.005 -1.407 5.566 1.00 2.07 H new ATOM 0 HE2 MET A 13 -3.671 -2.552 5.285 1.00 2.07 H new ATOM 0 HE3 MET A 13 -4.682 -2.704 6.742 1.00 2.07 H new ATOM 186 N ASP A 14 -1.227 -2.497 12.125 1.00 1.16 N ATOM 187 CA ASP A 14 -2.331 -2.608 13.049 1.00 1.36 C ATOM 188 C ASP A 14 -2.079 -1.693 14.246 1.00 1.22 C ATOM 189 O ASP A 14 -1.849 -2.163 15.359 1.00 1.62 O ATOM 190 CB ASP A 14 -2.507 -4.087 13.438 1.00 2.04 C ATOM 191 CG ASP A 14 -2.989 -4.981 12.291 1.00 3.66 C ATOM 192 OD1 ASP A 14 -2.326 -5.010 11.227 1.00 5.19 O ATOM 193 OD2 ASP A 14 -4.016 -5.653 12.513 1.00 4.13 O ATOM 0 H ASP A 14 -0.408 -3.044 12.390 1.00 1.16 H new ATOM 0 HA ASP A 14 -3.266 -2.281 12.594 1.00 1.36 H new ATOM 0 HB2 ASP A 14 -1.556 -4.470 13.808 1.00 2.04 H new ATOM 0 HB3 ASP A 14 -3.219 -4.153 14.260 1.00 2.04 H new ATOM 198 N CYS A 15 -2.085 -0.373 14.021 1.00 0.83 N ATOM 199 CA CYS A 15 -1.774 0.590 15.078 1.00 0.88 C ATOM 200 C CYS A 15 -2.332 1.985 14.789 1.00 1.10 C ATOM 201 O CYS A 15 -3.307 2.392 15.414 1.00 2.59 O ATOM 202 CB CYS A 15 -0.258 0.640 15.311 1.00 0.76 C ATOM 203 SG CYS A 15 0.120 1.937 16.515 1.00 1.85 S ATOM 0 H CYS A 15 -2.302 0.049 13.118 1.00 0.83 H new ATOM 0 HA CYS A 15 -2.266 0.247 15.988 1.00 0.88 H new ATOM 0 HB2 CYS A 15 0.098 -0.324 15.674 1.00 0.76 H new ATOM 0 HB3 CYS A 15 0.259 0.837 14.372 1.00 0.76 H new ATOM 0 HG CYS A 15 1.404 1.981 16.717 1.00 1.85 H new ATOM 209 N ALA A 16 -1.685 2.712 13.870 1.00 0.92 N ATOM 210 CA ALA A 16 -1.899 4.121 13.536 1.00 0.87 C ATOM 211 C ALA A 16 -0.621 4.648 12.883 1.00 0.98 C ATOM 212 O ALA A 16 -0.593 4.934 11.689 1.00 2.08 O ATOM 213 CB ALA A 16 -2.260 4.981 14.759 1.00 1.10 C ATOM 0 H ALA A 16 -0.946 2.299 13.301 1.00 0.92 H new ATOM 0 HA ALA A 16 -2.749 4.188 12.858 1.00 0.87 H new ATOM 0 HB1 ALA A 16 -2.406 6.015 14.446 1.00 1.10 H new ATOM 0 HB2 ALA A 16 -3.178 4.605 15.210 1.00 1.10 H new ATOM 0 HB3 ALA A 16 -1.452 4.933 15.489 1.00 1.10 H new ATOM 219 N ALA A 17 0.477 4.700 13.641 1.00 0.65 N ATOM 220 CA ALA A 17 1.786 5.073 13.108 1.00 0.59 C ATOM 221 C ALA A 17 2.164 4.190 11.910 1.00 0.47 C ATOM 222 O ALA A 17 2.778 4.636 10.940 1.00 0.53 O ATOM 223 CB ALA A 17 2.834 4.955 14.219 1.00 0.78 C ATOM 0 H ALA A 17 0.482 4.485 14.638 1.00 0.65 H new ATOM 0 HA ALA A 17 1.746 6.104 12.756 1.00 0.59 H new ATOM 0 HB1 ALA A 17 3.813 5.232 13.827 1.00 0.78 H new ATOM 0 HB2 ALA A 17 2.570 5.621 15.040 1.00 0.78 H new ATOM 0 HB3 ALA A 17 2.866 3.927 14.581 1.00 0.78 H new ATOM 229 N CYS A 18 1.758 2.920 11.972 1.00 0.42 N ATOM 230 CA CYS A 18 2.018 1.945 10.935 1.00 0.42 C ATOM 231 C CYS A 18 1.168 2.254 9.708 1.00 0.36 C ATOM 232 O CYS A 18 1.596 1.999 8.580 1.00 0.41 O ATOM 233 CB CYS A 18 1.728 0.540 11.459 1.00 0.55 C ATOM 234 SG CYS A 18 3.071 -0.013 12.535 1.00 1.99 S ATOM 0 H CYS A 18 1.232 2.544 12.761 1.00 0.42 H new ATOM 0 HA CYS A 18 3.068 1.994 10.646 1.00 0.42 H new ATOM 0 HB2 CYS A 18 0.787 0.536 12.008 1.00 0.55 H new ATOM 0 HB3 CYS A 18 1.613 -0.151 10.624 1.00 0.55 H new ATOM 0 HG CYS A 18 2.810 -1.208 12.975 1.00 1.99 H new ATOM 240 N ALA A 19 -0.019 2.841 9.915 1.00 0.38 N ATOM 241 CA ALA A 19 -0.856 3.261 8.811 1.00 0.44 C ATOM 242 C ALA A 19 -0.145 4.365 8.033 1.00 0.41 C ATOM 243 O ALA A 19 -0.153 4.363 6.803 1.00 0.47 O ATOM 244 CB ALA A 19 -2.253 3.685 9.277 1.00 0.59 C ATOM 0 H ALA A 19 -0.410 3.030 10.838 1.00 0.38 H new ATOM 0 HA ALA A 19 -1.014 2.413 8.145 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -2.846 3.992 8.416 1.00 0.59 H new ATOM 0 HB2 ALA A 19 -2.741 2.846 9.773 1.00 0.59 H new ATOM 0 HB3 ALA A 19 -2.167 4.519 9.974 1.00 0.59 H new ATOM 250 N ARG A 20 0.544 5.278 8.731 1.00 0.37 N ATOM 251 CA ARG A 20 1.397 6.206 8.039 1.00 0.39 C ATOM 252 C ARG A 20 2.463 5.446 7.265 1.00 0.36 C ATOM 253 O ARG A 20 2.630 5.663 6.074 1.00 0.40 O ATOM 254 CB ARG A 20 2.011 7.266 8.934 1.00 0.46 C ATOM 255 CG ARG A 20 0.933 8.082 9.645 1.00 0.61 C ATOM 256 CD ARG A 20 1.579 9.069 10.619 1.00 0.93 C ATOM 257 NE ARG A 20 0.539 9.903 11.243 1.00 1.23 N ATOM 258 CZ ARG A 20 0.709 10.703 12.308 1.00 2.04 C ATOM 259 NH1 ARG A 20 1.917 10.817 12.869 1.00 3.11 N ATOM 260 NH2 ARG A 20 -0.334 11.381 12.803 1.00 2.46 N ATOM 0 H ARG A 20 0.519 5.380 9.746 1.00 0.37 H new ATOM 0 HA ARG A 20 0.764 6.758 7.344 1.00 0.39 H new ATOM 0 HB2 ARG A 20 2.658 6.792 9.672 1.00 0.46 H new ATOM 0 HB3 ARG A 20 2.639 7.929 8.339 1.00 0.46 H new ATOM 0 HG2 ARG A 20 0.332 8.622 8.913 1.00 0.61 H new ATOM 0 HG3 ARG A 20 0.258 7.417 10.183 1.00 0.61 H new ATOM 0 HD2 ARG A 20 2.133 8.528 11.386 1.00 0.93 H new ATOM 0 HD3 ARG A 20 2.296 9.699 10.092 1.00 0.93 H new ATOM 0 HE ARG A 20 -0.393 9.870 10.830 1.00 1.23 H new ATOM 0 HH11 ARG A 20 2.707 10.297 12.488 1.00 3.11 H new ATOM 0 HH12 ARG A 20 2.048 11.424 13.678 1.00 3.11 H new ATOM 0 HH21 ARG A 20 -1.254 11.289 12.371 1.00 2.46 H new ATOM 0 HH22 ARG A 20 -0.209 11.990 13.612 1.00 2.46 H new ATOM 274 N LYS A 21 3.207 4.554 7.911 1.00 0.33 N ATOM 275 CA LYS A 21 4.235 3.804 7.211 1.00 0.34 C ATOM 276 C LYS A 21 3.716 3.183 5.902 1.00 0.37 C ATOM 277 O LYS A 21 4.416 3.241 4.895 1.00 0.42 O ATOM 278 CB LYS A 21 4.820 2.770 8.167 1.00 0.37 C ATOM 279 CG LYS A 21 5.721 3.382 9.254 1.00 0.93 C ATOM 280 CD LYS A 21 7.089 3.843 8.726 1.00 1.39 C ATOM 281 CE LYS A 21 8.014 2.642 8.449 1.00 2.51 C ATOM 282 NZ LYS A 21 9.135 2.988 7.552 1.00 4.08 N ATOM 0 H LYS A 21 3.117 4.337 8.904 1.00 0.33 H new ATOM 0 HA LYS A 21 5.029 4.483 6.901 1.00 0.34 H new ATOM 0 HB2 LYS A 21 4.005 2.226 8.645 1.00 0.37 H new ATOM 0 HB3 LYS A 21 5.396 2.043 7.595 1.00 0.37 H new ATOM 0 HG2 LYS A 21 5.208 4.232 9.704 1.00 0.93 H new ATOM 0 HG3 LYS A 21 5.874 2.647 10.045 1.00 0.93 H new ATOM 0 HD2 LYS A 21 6.953 4.419 7.811 1.00 1.39 H new ATOM 0 HD3 LYS A 21 7.558 4.506 9.453 1.00 1.39 H new ATOM 0 HE2 LYS A 21 8.410 2.267 9.393 1.00 2.51 H new ATOM 0 HE3 LYS A 21 7.433 1.834 8.004 1.00 2.51 H new ATOM 0 HZ1 LYS A 21 9.728 2.148 7.397 1.00 4.08 H new ATOM 0 HZ2 LYS A 21 8.760 3.321 6.641 1.00 4.08 H new ATOM 0 HZ3 LYS A 21 9.708 3.740 7.986 1.00 4.08 H new ATOM 296 N VAL A 22 2.487 2.659 5.881 1.00 0.39 N ATOM 297 CA VAL A 22 1.840 2.188 4.668 1.00 0.46 C ATOM 298 C VAL A 22 1.721 3.294 3.620 1.00 0.44 C ATOM 299 O VAL A 22 2.174 3.116 2.492 1.00 0.56 O ATOM 300 CB VAL A 22 0.454 1.625 5.009 1.00 0.52 C ATOM 301 CG1 VAL A 22 -0.352 1.326 3.747 1.00 0.62 C ATOM 302 CG2 VAL A 22 0.557 0.329 5.820 1.00 0.56 C ATOM 0 H VAL A 22 1.913 2.552 6.718 1.00 0.39 H new ATOM 0 HA VAL A 22 2.460 1.401 4.239 1.00 0.46 H new ATOM 0 HB VAL A 22 -0.049 2.391 5.599 1.00 0.52 H new ATOM 0 HG11 VAL A 22 -1.328 0.929 4.024 1.00 0.62 H new ATOM 0 HG12 VAL A 22 -0.483 2.243 3.173 1.00 0.62 H new ATOM 0 HG13 VAL A 22 0.180 0.592 3.141 1.00 0.62 H new ATOM 0 HG21 VAL A 22 -0.444 -0.041 6.043 1.00 0.56 H new ATOM 0 HG22 VAL A 22 1.100 -0.419 5.243 1.00 0.56 H new ATOM 0 HG23 VAL A 22 1.088 0.524 6.752 1.00 0.56 H new ATOM 312 N GLU A 23 1.073 4.419 3.942 1.00 0.34 N ATOM 313 CA GLU A 23 0.835 5.435 2.927 1.00 0.33 C ATOM 314 C GLU A 23 2.186 5.957 2.454 1.00 0.32 C ATOM 315 O GLU A 23 2.443 6.083 1.267 1.00 0.35 O ATOM 316 CB GLU A 23 -0.105 6.554 3.402 1.00 0.36 C ATOM 317 CG GLU A 23 0.449 7.311 4.604 1.00 0.40 C ATOM 318 CD GLU A 23 -0.418 8.483 5.024 1.00 0.55 C ATOM 319 OE1 GLU A 23 -0.480 9.436 4.218 1.00 1.58 O ATOM 320 OE2 GLU A 23 -0.946 8.426 6.155 1.00 1.82 O ATOM 0 H GLU A 23 0.715 4.640 4.871 1.00 0.34 H new ATOM 0 HA GLU A 23 0.306 4.985 2.087 1.00 0.33 H new ATOM 0 HB2 GLU A 23 -0.275 7.253 2.583 1.00 0.36 H new ATOM 0 HB3 GLU A 23 -1.073 6.125 3.661 1.00 0.36 H new ATOM 0 HG2 GLU A 23 0.550 6.623 5.443 1.00 0.40 H new ATOM 0 HG3 GLU A 23 1.449 7.674 4.367 1.00 0.40 H new ATOM 327 N ASN A 24 3.096 6.212 3.384 1.00 0.32 N ATOM 328 CA ASN A 24 4.405 6.750 3.082 1.00 0.35 C ATOM 329 C ASN A 24 5.231 5.758 2.266 1.00 0.39 C ATOM 330 O ASN A 24 6.014 6.184 1.417 1.00 0.44 O ATOM 331 CB ASN A 24 5.094 7.193 4.366 1.00 0.35 C ATOM 332 CG ASN A 24 4.424 8.448 4.929 1.00 0.38 C ATOM 333 OD1 ASN A 24 4.749 9.564 4.535 1.00 0.60 O ATOM 334 ND2 ASN A 24 3.443 8.262 5.801 1.00 0.42 N ATOM 0 H ASN A 24 2.939 6.048 4.378 1.00 0.32 H new ATOM 0 HA ASN A 24 4.298 7.635 2.455 1.00 0.35 H new ATOM 0 HB2 ASN A 24 5.054 6.391 5.103 1.00 0.35 H new ATOM 0 HB3 ASN A 24 6.147 7.393 4.170 1.00 0.35 H new ATOM 0 HD21 ASN A 24 2.929 9.063 6.169 1.00 0.42 H new ATOM 0 HD22 ASN A 24 3.202 7.318 6.104 1.00 0.42 H new ATOM 341 N ALA A 25 5.035 4.449 2.474 1.00 0.41 N ATOM 342 CA ALA A 25 5.602 3.423 1.603 1.00 0.45 C ATOM 343 C ALA A 25 5.206 3.633 0.140 1.00 0.32 C ATOM 344 O ALA A 25 5.947 3.201 -0.739 1.00 0.32 O ATOM 345 CB ALA A 25 5.236 2.015 2.088 1.00 0.59 C ATOM 0 H ALA A 25 4.482 4.078 3.247 1.00 0.41 H new ATOM 0 HA ALA A 25 6.686 3.519 1.656 1.00 0.45 H new ATOM 0 HB1 ALA A 25 5.673 1.274 1.418 1.00 0.59 H new ATOM 0 HB2 ALA A 25 5.622 1.866 3.096 1.00 0.59 H new ATOM 0 HB3 ALA A 25 4.152 1.903 2.095 1.00 0.59 H new ATOM 351 N VAL A 26 4.079 4.302 -0.136 1.00 0.25 N ATOM 352 CA VAL A 26 3.646 4.588 -1.494 1.00 0.24 C ATOM 353 C VAL A 26 3.900 6.038 -1.911 1.00 0.23 C ATOM 354 O VAL A 26 4.316 6.301 -3.034 1.00 0.26 O ATOM 355 CB VAL A 26 2.197 4.145 -1.686 1.00 0.40 C ATOM 356 CG1 VAL A 26 2.049 2.700 -1.210 1.00 1.78 C ATOM 357 CG2 VAL A 26 1.076 4.970 -1.064 1.00 1.76 C ATOM 0 H VAL A 26 3.447 4.657 0.582 1.00 0.25 H new ATOM 0 HA VAL A 26 4.263 4.002 -2.175 1.00 0.24 H new ATOM 0 HB VAL A 26 2.049 4.290 -2.756 1.00 0.40 H new ATOM 0 HG11 VAL A 26 1.017 2.377 -1.344 1.00 1.78 H new ATOM 0 HG12 VAL A 26 2.709 2.056 -1.791 1.00 1.78 H new ATOM 0 HG13 VAL A 26 2.315 2.635 -0.155 1.00 1.78 H new ATOM 0 HG21 VAL A 26 0.115 4.513 -1.299 1.00 1.76 H new ATOM 0 HG22 VAL A 26 1.207 5.005 0.018 1.00 1.76 H new ATOM 0 HG23 VAL A 26 1.104 5.983 -1.465 1.00 1.76 H new ATOM 367 N ARG A 27 3.691 6.991 -1.004 1.00 0.25 N ATOM 368 CA ARG A 27 3.895 8.411 -1.287 1.00 0.28 C ATOM 369 C ARG A 27 5.341 8.672 -1.719 1.00 0.30 C ATOM 370 O ARG A 27 5.607 9.619 -2.451 1.00 0.42 O ATOM 371 CB ARG A 27 3.552 9.280 -0.069 1.00 0.34 C ATOM 372 CG ARG A 27 2.064 9.247 0.317 1.00 0.40 C ATOM 373 CD ARG A 27 1.795 9.984 1.638 1.00 0.91 C ATOM 374 NE ARG A 27 2.126 11.415 1.537 1.00 0.73 N ATOM 375 CZ ARG A 27 3.231 12.033 1.991 1.00 1.86 C ATOM 376 NH1 ARG A 27 4.139 11.403 2.743 1.00 3.71 N ATOM 377 NH2 ARG A 27 3.439 13.317 1.676 1.00 2.26 N ATOM 0 H ARG A 27 3.376 6.801 -0.053 1.00 0.25 H new ATOM 0 HA ARG A 27 3.223 8.682 -2.102 1.00 0.28 H new ATOM 0 HB2 ARG A 27 4.146 8.947 0.782 1.00 0.34 H new ATOM 0 HB3 ARG A 27 3.841 10.310 -0.276 1.00 0.34 H new ATOM 0 HG2 ARG A 27 1.473 9.701 -0.478 1.00 0.40 H new ATOM 0 HG3 ARG A 27 1.736 8.211 0.406 1.00 0.40 H new ATOM 0 HD2 ARG A 27 0.746 9.871 1.911 1.00 0.91 H new ATOM 0 HD3 ARG A 27 2.383 9.529 2.435 1.00 0.91 H new ATOM 0 HE ARG A 27 1.438 12.006 1.069 1.00 0.73 H new ATOM 0 HH11 ARG A 27 4.005 10.422 2.990 1.00 3.71 H new ATOM 0 HH12 ARG A 27 4.966 11.903 3.070 1.00 3.71 H new ATOM 0 HH21 ARG A 27 2.763 13.816 1.098 1.00 2.26 H new ATOM 0 HH22 ARG A 27 4.273 13.796 2.014 1.00 2.26 H new ATOM 391 N GLN A 28 6.273 7.829 -1.263 1.00 0.27 N ATOM 392 CA GLN A 28 7.680 7.916 -1.627 1.00 0.29 C ATOM 393 C GLN A 28 7.953 7.606 -3.105 1.00 0.26 C ATOM 394 O GLN A 28 9.084 7.788 -3.544 1.00 0.30 O ATOM 395 CB GLN A 28 8.536 7.094 -0.657 1.00 0.32 C ATOM 396 CG GLN A 28 8.300 5.580 -0.741 1.00 0.36 C ATOM 397 CD GLN A 28 9.015 4.858 0.395 1.00 0.42 C ATOM 398 OE1 GLN A 28 9.939 4.083 0.180 1.00 0.49 O ATOM 399 NE2 GLN A 28 8.599 5.128 1.626 1.00 0.60 N ATOM 0 H GLN A 28 6.064 7.061 -0.625 1.00 0.27 H new ATOM 0 HA GLN A 28 7.980 8.959 -1.522 1.00 0.29 H new ATOM 0 HB2 GLN A 28 9.588 7.298 -0.855 1.00 0.32 H new ATOM 0 HB3 GLN A 28 8.333 7.427 0.361 1.00 0.32 H new ATOM 0 HG2 GLN A 28 7.231 5.371 -0.696 1.00 0.36 H new ATOM 0 HG3 GLN A 28 8.658 5.204 -1.699 1.00 0.36 H new ATOM 0 HE21 GLN A 28 7.827 5.778 1.772 1.00 0.60 H new ATOM 0 HE22 GLN A 28 9.052 4.685 2.426 1.00 0.60 H new ATOM 408 N LEU A 29 6.978 7.043 -3.835 1.00 0.23 N ATOM 409 CA LEU A 29 7.131 6.627 -5.221 1.00 0.25 C ATOM 410 C LEU A 29 7.198 7.864 -6.125 1.00 0.28 C ATOM 411 O LEU A 29 8.125 8.663 -6.034 1.00 0.41 O ATOM 412 CB LEU A 29 6.000 5.659 -5.590 1.00 0.27 C ATOM 413 CG LEU A 29 6.016 4.341 -4.793 1.00 0.27 C ATOM 414 CD1 LEU A 29 6.249 3.161 -5.728 1.00 0.50 C ATOM 415 CD2 LEU A 29 7.054 4.232 -3.670 1.00 0.62 C ATOM 0 H LEU A 29 6.045 6.864 -3.463 1.00 0.23 H new ATOM 0 HA LEU A 29 8.067 6.087 -5.364 1.00 0.25 H new ATOM 0 HB2 LEU A 29 5.044 6.157 -5.430 1.00 0.27 H new ATOM 0 HB3 LEU A 29 6.065 5.429 -6.653 1.00 0.27 H new ATOM 0 HG LEU A 29 5.036 4.329 -4.316 1.00 0.27 H new ATOM 0 HD11 LEU A 29 6.258 2.236 -5.151 1.00 0.50 H new ATOM 0 HD12 LEU A 29 5.450 3.120 -6.468 1.00 0.50 H new ATOM 0 HD13 LEU A 29 7.206 3.282 -6.235 1.00 0.50 H new ATOM 0 HD21 LEU A 29 6.965 3.260 -3.185 1.00 0.62 H new ATOM 0 HD22 LEU A 29 8.055 4.338 -4.088 1.00 0.62 H new ATOM 0 HD23 LEU A 29 6.881 5.020 -2.937 1.00 0.62 H new ATOM 427 N ALA A 30 6.211 8.027 -7.007 1.00 0.24 N ATOM 428 CA ALA A 30 6.115 9.143 -7.940 1.00 0.26 C ATOM 429 C ALA A 30 4.817 9.009 -8.724 1.00 0.27 C ATOM 430 O ALA A 30 4.046 9.954 -8.843 1.00 0.29 O ATOM 431 CB ALA A 30 7.305 9.141 -8.909 1.00 0.28 C ATOM 0 H ALA A 30 5.438 7.367 -7.092 1.00 0.24 H new ATOM 0 HA ALA A 30 6.127 10.081 -7.384 1.00 0.26 H new ATOM 0 HB1 ALA A 30 7.215 9.981 -9.597 1.00 0.28 H new ATOM 0 HB2 ALA A 30 8.233 9.231 -8.345 1.00 0.28 H new ATOM 0 HB3 ALA A 30 7.313 8.209 -9.474 1.00 0.28 H new ATOM 437 N GLY A 31 4.586 7.805 -9.254 1.00 0.27 N ATOM 438 CA GLY A 31 3.441 7.534 -10.117 1.00 0.31 C ATOM 439 C GLY A 31 2.130 7.371 -9.339 1.00 0.31 C ATOM 440 O GLY A 31 1.052 7.368 -9.930 1.00 0.44 O ATOM 0 H GLY A 31 5.187 6.996 -9.096 1.00 0.27 H new ATOM 0 HA2 GLY A 31 3.333 8.348 -10.834 1.00 0.31 H new ATOM 0 HA3 GLY A 31 3.632 6.627 -10.691 1.00 0.31 H new ATOM 444 N VAL A 32 2.226 7.190 -8.019 1.00 0.25 N ATOM 445 CA VAL A 32 1.083 7.152 -7.121 1.00 0.26 C ATOM 446 C VAL A 32 0.358 8.500 -7.143 1.00 0.32 C ATOM 447 O VAL A 32 0.986 9.540 -6.956 1.00 0.44 O ATOM 448 CB VAL A 32 1.573 6.792 -5.707 1.00 0.30 C ATOM 449 CG1 VAL A 32 0.454 6.907 -4.661 1.00 0.42 C ATOM 450 CG2 VAL A 32 2.132 5.363 -5.702 1.00 0.28 C ATOM 0 H VAL A 32 3.119 7.064 -7.542 1.00 0.25 H new ATOM 0 HA VAL A 32 0.371 6.393 -7.445 1.00 0.26 H new ATOM 0 HB VAL A 32 2.354 7.504 -5.439 1.00 0.30 H new ATOM 0 HG11 VAL A 32 0.846 6.644 -3.679 1.00 0.42 H new ATOM 0 HG12 VAL A 32 0.079 7.930 -4.640 1.00 0.42 H new ATOM 0 HG13 VAL A 32 -0.359 6.229 -4.921 1.00 0.42 H new ATOM 0 HG21 VAL A 32 2.478 5.111 -4.700 1.00 0.28 H new ATOM 0 HG22 VAL A 32 1.350 4.665 -6.002 1.00 0.28 H new ATOM 0 HG23 VAL A 32 2.966 5.296 -6.401 1.00 0.28 H new ATOM 460 N ASN A 33 -0.966 8.470 -7.324 1.00 0.37 N ATOM 461 CA ASN A 33 -1.814 9.654 -7.354 1.00 0.51 C ATOM 462 C ASN A 33 -2.463 9.829 -5.987 1.00 0.38 C ATOM 463 O ASN A 33 -2.372 10.897 -5.387 1.00 0.64 O ATOM 464 CB ASN A 33 -2.936 9.523 -8.398 1.00 0.94 C ATOM 465 CG ASN A 33 -2.475 9.091 -9.781 1.00 0.99 C ATOM 466 OD1 ASN A 33 -1.421 9.501 -10.254 1.00 2.23 O ATOM 467 ND2 ASN A 33 -3.283 8.263 -10.434 1.00 0.97 N ATOM 0 H ASN A 33 -1.484 7.601 -7.456 1.00 0.37 H new ATOM 0 HA ASN A 33 -1.189 10.508 -7.615 1.00 0.51 H new ATOM 0 HB2 ASN A 33 -3.669 8.803 -8.034 1.00 0.94 H new ATOM 0 HB3 ASN A 33 -3.446 10.482 -8.484 1.00 0.94 H new ATOM 0 HD21 ASN A 33 -3.036 7.942 -11.370 1.00 0.97 H new ATOM 0 HD22 ASN A 33 -4.150 7.948 -9.999 1.00 0.97 H new ATOM 474 N GLN A 34 -3.166 8.791 -5.517 1.00 0.34 N ATOM 475 CA GLN A 34 -4.038 8.887 -4.356 1.00 0.39 C ATOM 476 C GLN A 34 -4.175 7.519 -3.682 1.00 0.48 C ATOM 477 O GLN A 34 -4.574 6.544 -4.308 1.00 1.14 O ATOM 478 CB GLN A 34 -5.382 9.516 -4.761 1.00 0.59 C ATOM 479 CG GLN A 34 -6.176 8.725 -5.802 1.00 1.53 C ATOM 480 CD GLN A 34 -7.222 9.585 -6.501 1.00 1.23 C ATOM 481 OE1 GLN A 34 -8.312 9.793 -5.980 1.00 1.80 O ATOM 482 NE2 GLN A 34 -6.904 10.099 -7.687 1.00 0.88 N ATOM 0 H GLN A 34 -3.141 7.862 -5.937 1.00 0.34 H new ATOM 0 HA GLN A 34 -3.600 9.549 -3.609 1.00 0.39 H new ATOM 0 HB2 GLN A 34 -5.996 9.632 -3.868 1.00 0.59 H new ATOM 0 HB3 GLN A 34 -5.195 10.517 -5.151 1.00 0.59 H new ATOM 0 HG2 GLN A 34 -5.491 8.314 -6.544 1.00 1.53 H new ATOM 0 HG3 GLN A 34 -6.666 7.880 -5.318 1.00 1.53 H new ATOM 0 HE21 GLN A 34 -5.989 9.909 -8.096 1.00 0.88 H new ATOM 0 HE22 GLN A 34 -7.575 10.683 -8.186 1.00 0.88 H new ATOM 491 N VAL A 35 -3.803 7.439 -2.408 1.00 0.34 N ATOM 492 CA VAL A 35 -3.728 6.226 -1.608 1.00 0.33 C ATOM 493 C VAL A 35 -4.890 6.163 -0.615 1.00 0.29 C ATOM 494 O VAL A 35 -5.276 7.185 -0.053 1.00 0.37 O ATOM 495 CB VAL A 35 -2.356 6.165 -0.912 1.00 0.46 C ATOM 496 CG1 VAL A 35 -2.001 7.429 -0.111 1.00 1.44 C ATOM 497 CG2 VAL A 35 -2.265 4.944 0.012 1.00 1.41 C ATOM 0 H VAL A 35 -3.531 8.267 -1.878 1.00 0.34 H new ATOM 0 HA VAL A 35 -3.821 5.350 -2.250 1.00 0.33 H new ATOM 0 HB VAL A 35 -1.631 6.086 -1.722 1.00 0.46 H new ATOM 0 HG11 VAL A 35 -1.020 7.305 0.348 1.00 1.44 H new ATOM 0 HG12 VAL A 35 -1.983 8.290 -0.779 1.00 1.44 H new ATOM 0 HG13 VAL A 35 -2.748 7.589 0.667 1.00 1.44 H new ATOM 0 HG21 VAL A 35 -1.287 4.923 0.492 1.00 1.41 H new ATOM 0 HG22 VAL A 35 -3.042 5.006 0.774 1.00 1.41 H new ATOM 0 HG23 VAL A 35 -2.402 4.034 -0.573 1.00 1.41 H new ATOM 507 N GLN A 36 -5.443 4.964 -0.398 1.00 0.29 N ATOM 508 CA GLN A 36 -6.520 4.690 0.534 1.00 0.35 C ATOM 509 C GLN A 36 -6.161 3.476 1.395 1.00 0.28 C ATOM 510 O GLN A 36 -6.457 2.335 1.039 1.00 0.37 O ATOM 511 CB GLN A 36 -7.793 4.451 -0.281 1.00 0.64 C ATOM 512 CG GLN A 36 -8.422 5.776 -0.715 1.00 1.36 C ATOM 513 CD GLN A 36 -9.153 5.624 -2.044 1.00 1.26 C ATOM 514 OE1 GLN A 36 -10.287 5.157 -2.082 1.00 1.75 O ATOM 515 NE2 GLN A 36 -8.495 5.978 -3.145 1.00 1.31 N ATOM 0 H GLN A 36 -5.132 4.128 -0.893 1.00 0.29 H new ATOM 0 HA GLN A 36 -6.680 5.529 1.211 1.00 0.35 H new ATOM 0 HB2 GLN A 36 -7.559 3.850 -1.160 1.00 0.64 H new ATOM 0 HB3 GLN A 36 -8.508 3.882 0.313 1.00 0.64 H new ATOM 0 HG2 GLN A 36 -9.118 6.120 0.050 1.00 1.36 H new ATOM 0 HG3 GLN A 36 -7.648 6.538 -0.807 1.00 1.36 H new ATOM 0 HE21 GLN A 36 -7.553 6.363 -3.075 1.00 1.31 H new ATOM 0 HE22 GLN A 36 -8.933 5.864 -4.059 1.00 1.31 H new ATOM 524 N VAL A 37 -5.586 3.743 2.568 1.00 0.23 N ATOM 525 CA VAL A 37 -5.275 2.765 3.599 1.00 0.26 C ATOM 526 C VAL A 37 -6.474 2.672 4.547 1.00 0.30 C ATOM 527 O VAL A 37 -6.629 3.512 5.432 1.00 0.56 O ATOM 528 CB VAL A 37 -4.042 3.238 4.407 1.00 0.39 C ATOM 529 CG1 VAL A 37 -3.545 2.089 5.292 1.00 2.20 C ATOM 530 CG2 VAL A 37 -2.907 3.778 3.534 1.00 1.70 C ATOM 0 H VAL A 37 -5.314 4.690 2.832 1.00 0.23 H new ATOM 0 HA VAL A 37 -5.064 1.798 3.143 1.00 0.26 H new ATOM 0 HB VAL A 37 -4.364 4.078 5.023 1.00 0.39 H new ATOM 0 HG11 VAL A 37 -2.677 2.419 5.862 1.00 2.20 H new ATOM 0 HG12 VAL A 37 -4.337 1.789 5.978 1.00 2.20 H new ATOM 0 HG13 VAL A 37 -3.267 1.241 4.666 1.00 2.20 H new ATOM 0 HG21 VAL A 37 -2.077 4.090 4.168 1.00 1.70 H new ATOM 0 HG22 VAL A 37 -2.569 2.997 2.853 1.00 1.70 H new ATOM 0 HG23 VAL A 37 -3.265 4.632 2.958 1.00 1.70 H new ATOM 540 N LEU A 38 -7.318 1.643 4.411 1.00 0.39 N ATOM 541 CA LEU A 38 -8.416 1.435 5.322 1.00 0.39 C ATOM 542 C LEU A 38 -7.934 0.408 6.346 1.00 0.33 C ATOM 543 O LEU A 38 -8.296 -0.770 6.316 1.00 0.59 O ATOM 544 CB LEU A 38 -9.636 1.021 4.499 1.00 0.42 C ATOM 545 CG LEU A 38 -10.840 0.646 5.356 1.00 0.44 C ATOM 546 CD1 LEU A 38 -11.167 1.673 6.448 1.00 0.44 C ATOM 547 CD2 LEU A 38 -12.072 0.447 4.466 1.00 0.50 C ATOM 0 H LEU A 38 -7.249 0.945 3.670 1.00 0.39 H new ATOM 0 HA LEU A 38 -8.725 2.321 5.877 1.00 0.39 H new ATOM 0 HB2 LEU A 38 -9.912 1.839 3.834 1.00 0.42 H new ATOM 0 HB3 LEU A 38 -9.370 0.173 3.868 1.00 0.42 H new ATOM 0 HG LEU A 38 -10.572 -0.280 5.864 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -12.035 1.337 7.016 1.00 0.44 H new ATOM 0 HD12 LEU A 38 -10.313 1.776 7.118 1.00 0.44 H new ATOM 0 HD13 LEU A 38 -11.386 2.637 5.988 1.00 0.44 H new ATOM 0 HD21 LEU A 38 -12.928 0.179 5.085 1.00 0.50 H new ATOM 0 HD22 LEU A 38 -12.287 1.371 3.930 1.00 0.50 H new ATOM 0 HD23 LEU A 38 -11.878 -0.351 3.750 1.00 0.50 H new ATOM 559 N PHE A 39 -7.077 0.889 7.250 1.00 0.79 N ATOM 560 CA PHE A 39 -6.713 0.163 8.455 1.00 0.95 C ATOM 561 C PHE A 39 -8.004 -0.035 9.256 1.00 1.19 C ATOM 562 O PHE A 39 -8.497 0.925 9.846 1.00 2.23 O ATOM 563 CB PHE A 39 -5.650 0.957 9.238 1.00 1.75 C ATOM 564 CG PHE A 39 -5.459 0.541 10.682 1.00 0.91 C ATOM 565 CD1 PHE A 39 -5.484 -0.820 11.032 1.00 2.31 C ATOM 566 CD2 PHE A 39 -5.324 1.519 11.687 1.00 1.63 C ATOM 567 CE1 PHE A 39 -5.484 -1.196 12.383 1.00 3.44 C ATOM 568 CE2 PHE A 39 -5.260 1.136 13.036 1.00 2.48 C ATOM 569 CZ PHE A 39 -5.350 -0.222 13.388 1.00 3.28 C ATOM 0 H PHE A 39 -6.618 1.796 7.161 1.00 0.79 H new ATOM 0 HA PHE A 39 -6.271 -0.808 8.234 1.00 0.95 H new ATOM 0 HB2 PHE A 39 -4.695 0.861 8.721 1.00 1.75 H new ATOM 0 HB3 PHE A 39 -5.920 2.013 9.215 1.00 1.75 H new ATOM 0 HD1 PHE A 39 -5.503 -1.576 10.261 1.00 2.31 H new ATOM 0 HD2 PHE A 39 -5.270 2.564 11.419 1.00 1.63 H new ATOM 0 HE1 PHE A 39 -5.587 -2.237 12.652 1.00 3.44 H new ATOM 0 HE2 PHE A 39 -5.141 1.886 13.804 1.00 2.48 H new ATOM 0 HZ PHE A 39 -5.316 -0.516 14.427 1.00 3.28 H new ATOM 579 N ALA A 40 -8.561 -1.251 9.196 1.00 1.07 N ATOM 580 CA ALA A 40 -9.861 -1.679 9.713 1.00 1.43 C ATOM 581 C ALA A 40 -10.405 -2.810 8.837 1.00 1.21 C ATOM 582 O ALA A 40 -11.060 -3.713 9.350 1.00 1.71 O ATOM 583 CB ALA A 40 -10.907 -0.556 9.773 1.00 2.00 C ATOM 0 H ALA A 40 -8.070 -2.024 8.746 1.00 1.07 H new ATOM 0 HA ALA A 40 -9.690 -2.008 10.738 1.00 1.43 H new ATOM 0 HB1 ALA A 40 -11.843 -0.952 10.167 1.00 2.00 H new ATOM 0 HB2 ALA A 40 -10.548 0.241 10.424 1.00 2.00 H new ATOM 0 HB3 ALA A 40 -11.073 -0.160 8.771 1.00 2.00 H new ATOM 589 N THR A 41 -10.178 -2.730 7.518 1.00 0.78 N ATOM 590 CA THR A 41 -10.696 -3.707 6.559 1.00 0.63 C ATOM 591 C THR A 41 -9.544 -4.410 5.834 1.00 0.71 C ATOM 592 O THR A 41 -9.746 -4.970 4.760 1.00 1.15 O ATOM 593 CB THR A 41 -11.685 -3.021 5.602 1.00 0.76 C ATOM 594 OG1 THR A 41 -12.456 -2.084 6.331 1.00 0.95 O ATOM 595 CG2 THR A 41 -12.669 -4.007 4.955 1.00 1.21 C ATOM 0 H THR A 41 -9.629 -1.985 7.089 1.00 0.78 H new ATOM 0 HA THR A 41 -11.247 -4.487 7.084 1.00 0.63 H new ATOM 0 HB THR A 41 -11.091 -2.554 4.817 1.00 0.76 H new ATOM 0 HG1 THR A 41 -13.276 -1.878 5.835 1.00 0.95 H new ATOM 0 HG21 THR A 41 -13.342 -3.466 4.290 1.00 1.21 H new ATOM 0 HG22 THR A 41 -12.115 -4.751 4.383 1.00 1.21 H new ATOM 0 HG23 THR A 41 -13.249 -4.505 5.732 1.00 1.21 H new ATOM 603 N GLU A 42 -8.338 -4.359 6.410 1.00 0.63 N ATOM 604 CA GLU A 42 -7.102 -4.983 5.951 1.00 0.93 C ATOM 605 C GLU A 42 -6.900 -4.937 4.445 1.00 0.93 C ATOM 606 O GLU A 42 -6.330 -5.855 3.854 1.00 1.14 O ATOM 607 CB GLU A 42 -6.973 -6.391 6.548 1.00 1.22 C ATOM 608 CG GLU A 42 -6.357 -6.277 7.943 1.00 1.90 C ATOM 609 CD GLU A 42 -7.284 -5.571 8.936 1.00 2.65 C ATOM 610 OE1 GLU A 42 -7.380 -4.319 8.860 1.00 3.42 O ATOM 611 OE2 GLU A 42 -7.939 -6.305 9.703 1.00 3.46 O ATOM 0 H GLU A 42 -8.195 -3.839 7.276 1.00 0.63 H new ATOM 0 HA GLU A 42 -6.275 -4.381 6.327 1.00 0.93 H new ATOM 0 HB2 GLU A 42 -7.951 -6.869 6.605 1.00 1.22 H new ATOM 0 HB3 GLU A 42 -6.349 -7.017 5.909 1.00 1.22 H new ATOM 0 HG2 GLU A 42 -6.122 -7.274 8.316 1.00 1.90 H new ATOM 0 HG3 GLU A 42 -5.416 -5.731 7.878 1.00 1.90 H new ATOM 618 N LYS A 43 -7.313 -3.826 3.835 1.00 0.71 N ATOM 619 CA LYS A 43 -7.239 -3.649 2.405 1.00 0.67 C ATOM 620 C LYS A 43 -6.559 -2.316 2.138 1.00 0.61 C ATOM 621 O LYS A 43 -6.951 -1.284 2.689 1.00 0.81 O ATOM 622 CB LYS A 43 -8.624 -3.822 1.763 1.00 0.93 C ATOM 623 CG LYS A 43 -9.570 -2.632 1.959 1.00 1.26 C ATOM 624 CD LYS A 43 -9.512 -1.714 0.728 1.00 1.07 C ATOM 625 CE LYS A 43 -10.023 -0.315 1.083 1.00 0.50 C ATOM 626 NZ LYS A 43 -10.233 0.528 -0.111 1.00 1.30 N ATOM 0 H LYS A 43 -7.708 -3.027 4.331 1.00 0.71 H new ATOM 0 HA LYS A 43 -6.633 -4.419 1.928 1.00 0.67 H new ATOM 0 HB2 LYS A 43 -8.496 -3.996 0.695 1.00 0.93 H new ATOM 0 HB3 LYS A 43 -9.093 -4.715 2.177 1.00 0.93 H new ATOM 0 HG2 LYS A 43 -10.589 -2.987 2.112 1.00 1.26 H new ATOM 0 HG3 LYS A 43 -9.289 -2.075 2.853 1.00 1.26 H new ATOM 0 HD2 LYS A 43 -8.488 -1.652 0.360 1.00 1.07 H new ATOM 0 HD3 LYS A 43 -10.115 -2.135 -0.077 1.00 1.07 H new ATOM 0 HE2 LYS A 43 -10.961 -0.402 1.632 1.00 0.50 H new ATOM 0 HE3 LYS A 43 -9.309 0.172 1.747 1.00 0.50 H new ATOM 0 HZ1 LYS A 43 -10.658 1.433 0.174 1.00 1.30 H new ATOM 0 HZ2 LYS A 43 -9.320 0.705 -0.576 1.00 1.30 H new ATOM 0 HZ3 LYS A 43 -10.869 0.040 -0.773 1.00 1.30 H new ATOM 640 N LEU A 44 -5.528 -2.351 1.299 1.00 0.40 N ATOM 641 CA LEU A 44 -4.850 -1.154 0.850 1.00 0.44 C ATOM 642 C LEU A 44 -5.411 -0.833 -0.521 1.00 0.38 C ATOM 643 O LEU A 44 -5.607 -1.772 -1.294 1.00 0.42 O ATOM 644 CB LEU A 44 -3.350 -1.428 0.691 1.00 0.54 C ATOM 645 CG LEU A 44 -2.476 -0.265 1.167 1.00 0.87 C ATOM 646 CD1 LEU A 44 -1.108 -0.419 0.515 1.00 0.51 C ATOM 647 CD2 LEU A 44 -2.950 1.131 0.746 1.00 1.82 C ATOM 0 H LEU A 44 -5.144 -3.214 0.915 1.00 0.40 H new ATOM 0 HA LEU A 44 -4.993 -0.342 1.563 1.00 0.44 H new ATOM 0 HB2 LEU A 44 -3.089 -2.325 1.252 1.00 0.54 H new ATOM 0 HB3 LEU A 44 -3.133 -1.633 -0.357 1.00 0.54 H new ATOM 0 HG LEU A 44 -2.495 -0.318 2.256 1.00 0.87 H new ATOM 0 HD11 LEU A 44 -0.459 0.396 0.834 1.00 0.51 H new ATOM 0 HD12 LEU A 44 -0.668 -1.371 0.813 1.00 0.51 H new ATOM 0 HD13 LEU A 44 -1.217 -0.393 -0.569 1.00 0.51 H new ATOM 0 HD21 LEU A 44 -2.261 1.881 1.134 1.00 1.82 H new ATOM 0 HD22 LEU A 44 -2.978 1.193 -0.342 1.00 1.82 H new ATOM 0 HD23 LEU A 44 -3.948 1.312 1.146 1.00 1.82 H new ATOM 659 N VAL A 45 -5.623 0.446 -0.841 1.00 0.34 N ATOM 660 CA VAL A 45 -5.776 0.874 -2.218 1.00 0.32 C ATOM 661 C VAL A 45 -4.751 1.932 -2.587 1.00 0.27 C ATOM 662 O VAL A 45 -4.421 2.785 -1.771 1.00 0.42 O ATOM 663 CB VAL A 45 -7.220 1.315 -2.468 1.00 0.44 C ATOM 664 CG1 VAL A 45 -7.380 2.314 -3.620 1.00 0.73 C ATOM 665 CG2 VAL A 45 -7.963 0.032 -2.804 1.00 0.63 C ATOM 0 H VAL A 45 -5.691 1.199 -0.157 1.00 0.34 H new ATOM 0 HA VAL A 45 -5.577 0.032 -2.881 1.00 0.32 H new ATOM 0 HB VAL A 45 -7.600 1.837 -1.590 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.432 2.575 -3.731 1.00 0.73 H new ATOM 0 HG12 VAL A 45 -6.803 3.214 -3.404 1.00 0.73 H new ATOM 0 HG13 VAL A 45 -7.018 1.864 -4.545 1.00 0.73 H new ATOM 0 HG21 VAL A 45 -9.011 0.259 -2.998 1.00 0.63 H new ATOM 0 HG22 VAL A 45 -7.520 -0.424 -3.690 1.00 0.63 H new ATOM 0 HG23 VAL A 45 -7.891 -0.660 -1.965 1.00 0.63 H new ATOM 675 N VAL A 46 -4.256 1.868 -3.823 1.00 0.29 N ATOM 676 CA VAL A 46 -3.352 2.838 -4.399 1.00 0.25 C ATOM 677 C VAL A 46 -3.870 3.152 -5.798 1.00 0.23 C ATOM 678 O VAL A 46 -3.900 2.257 -6.642 1.00 0.29 O ATOM 679 CB VAL A 46 -1.945 2.230 -4.423 1.00 0.30 C ATOM 680 CG1 VAL A 46 -0.979 3.095 -5.229 1.00 0.38 C ATOM 681 CG2 VAL A 46 -1.408 2.089 -2.996 1.00 0.31 C ATOM 0 H VAL A 46 -4.487 1.110 -4.465 1.00 0.29 H new ATOM 0 HA VAL A 46 -3.301 3.763 -3.825 1.00 0.25 H new ATOM 0 HB VAL A 46 -2.019 1.250 -4.895 1.00 0.30 H new ATOM 0 HG11 VAL A 46 0.010 2.636 -5.226 1.00 0.38 H new ATOM 0 HG12 VAL A 46 -1.337 3.180 -6.255 1.00 0.38 H new ATOM 0 HG13 VAL A 46 -0.919 4.087 -4.782 1.00 0.38 H new ATOM 0 HG21 VAL A 46 -0.408 1.656 -3.025 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -1.365 3.071 -2.525 1.00 0.31 H new ATOM 0 HG23 VAL A 46 -2.068 1.439 -2.421 1.00 0.31 H new ATOM 691 N ASP A 47 -4.258 4.405 -6.045 1.00 0.28 N ATOM 692 CA ASP A 47 -4.615 4.872 -7.377 1.00 0.25 C ATOM 693 C ASP A 47 -3.387 5.568 -7.948 1.00 0.22 C ATOM 694 O ASP A 47 -2.872 6.496 -7.319 1.00 0.27 O ATOM 695 CB ASP A 47 -5.856 5.774 -7.341 1.00 0.44 C ATOM 696 CG ASP A 47 -7.115 5.060 -7.805 1.00 1.26 C ATOM 697 OD1 ASP A 47 -7.200 4.812 -9.026 1.00 2.66 O ATOM 698 OD2 ASP A 47 -7.973 4.781 -6.937 1.00 1.89 O ATOM 0 H ASP A 47 -4.332 5.122 -5.323 1.00 0.28 H new ATOM 0 HA ASP A 47 -4.894 4.040 -8.024 1.00 0.25 H new ATOM 0 HB2 ASP A 47 -6.005 6.140 -6.325 1.00 0.44 H new ATOM 0 HB3 ASP A 47 -5.684 6.646 -7.972 1.00 0.44 H new ATOM 703 N ALA A 48 -2.879 5.075 -9.083 1.00 0.26 N ATOM 704 CA ALA A 48 -1.595 5.472 -9.659 1.00 0.25 C ATOM 705 C ALA A 48 -1.656 5.504 -11.189 1.00 0.32 C ATOM 706 O ALA A 48 -2.374 4.702 -11.791 1.00 0.55 O ATOM 707 CB ALA A 48 -0.522 4.477 -9.203 1.00 0.33 C ATOM 0 H ALA A 48 -3.364 4.371 -9.639 1.00 0.26 H new ATOM 0 HA ALA A 48 -1.352 6.477 -9.315 1.00 0.25 H new ATOM 0 HB1 ALA A 48 0.441 4.762 -9.626 1.00 0.33 H new ATOM 0 HB2 ALA A 48 -0.457 4.485 -8.115 1.00 0.33 H new ATOM 0 HB3 ALA A 48 -0.786 3.476 -9.543 1.00 0.33 H new ATOM 713 N ASP A 49 -0.870 6.388 -11.817 1.00 0.37 N ATOM 714 CA ASP A 49 -0.809 6.540 -13.274 1.00 0.52 C ATOM 715 C ASP A 49 0.362 5.729 -13.841 1.00 0.50 C ATOM 716 O ASP A 49 1.239 6.271 -14.508 1.00 0.71 O ATOM 717 CB ASP A 49 -0.712 8.030 -13.665 1.00 0.76 C ATOM 718 CG ASP A 49 -2.037 8.782 -13.639 1.00 0.97 C ATOM 719 OD1 ASP A 49 -3.005 8.233 -13.073 1.00 1.39 O ATOM 720 OD2 ASP A 49 -2.072 9.893 -14.212 1.00 2.23 O ATOM 0 H ASP A 49 -0.250 7.026 -11.319 1.00 0.37 H new ATOM 0 HA ASP A 49 -1.729 6.150 -13.708 1.00 0.52 H new ATOM 0 HB2 ASP A 49 -0.016 8.525 -12.988 1.00 0.76 H new ATOM 0 HB3 ASP A 49 -0.288 8.102 -14.667 1.00 0.76 H new ATOM 725 N ASN A 50 0.357 4.416 -13.593 1.00 0.36 N ATOM 726 CA ASN A 50 1.327 3.417 -14.071 1.00 0.46 C ATOM 727 C ASN A 50 1.200 2.181 -13.188 1.00 0.57 C ATOM 728 O ASN A 50 0.716 2.325 -12.065 1.00 1.67 O ATOM 729 CB ASN A 50 2.791 3.905 -14.056 1.00 0.61 C ATOM 730 CG ASN A 50 3.297 4.507 -12.739 1.00 0.56 C ATOM 731 OD1 ASN A 50 4.342 5.147 -12.722 1.00 1.34 O ATOM 732 ND2 ASN A 50 2.614 4.312 -11.612 1.00 0.59 N ATOM 0 H ASN A 50 -0.370 3.992 -13.016 1.00 0.36 H new ATOM 0 HA ASN A 50 1.091 3.207 -15.114 1.00 0.46 H new ATOM 0 HB2 ASN A 50 3.434 3.064 -14.316 1.00 0.61 H new ATOM 0 HB3 ASN A 50 2.910 4.652 -14.841 1.00 0.61 H new ATOM 0 HD21 ASN A 50 2.961 4.696 -10.733 1.00 0.59 H new ATOM 0 HD22 ASN A 50 1.744 3.779 -11.628 1.00 0.59 H new ATOM 739 N ASP A 51 1.611 0.991 -13.640 1.00 0.85 N ATOM 740 CA ASP A 51 1.658 -0.185 -12.772 1.00 0.72 C ATOM 741 C ASP A 51 2.903 -0.103 -11.897 1.00 0.58 C ATOM 742 O ASP A 51 4.015 -0.068 -12.421 1.00 0.72 O ATOM 743 CB ASP A 51 1.637 -1.492 -13.574 1.00 0.92 C ATOM 744 CG ASP A 51 1.573 -2.715 -12.662 1.00 2.10 C ATOM 745 OD1 ASP A 51 1.499 -2.547 -11.418 1.00 3.00 O ATOM 746 OD2 ASP A 51 1.529 -3.843 -13.200 1.00 3.39 O ATOM 0 H ASP A 51 1.914 0.820 -14.599 1.00 0.85 H new ATOM 0 HA ASP A 51 0.766 -0.192 -12.145 1.00 0.72 H new ATOM 0 HB2 ASP A 51 0.778 -1.493 -14.245 1.00 0.92 H new ATOM 0 HB3 ASP A 51 2.529 -1.550 -14.198 1.00 0.92 H new ATOM 751 N ILE A 52 2.716 -0.053 -10.574 1.00 0.42 N ATOM 752 CA ILE A 52 3.815 -0.032 -9.617 1.00 0.36 C ATOM 753 C ILE A 52 3.477 -0.928 -8.421 1.00 0.32 C ATOM 754 O ILE A 52 3.990 -0.732 -7.320 1.00 0.32 O ATOM 755 CB ILE A 52 4.186 1.425 -9.246 1.00 0.41 C ATOM 756 CG1 ILE A 52 2.992 2.338 -8.921 1.00 0.39 C ATOM 757 CG2 ILE A 52 4.984 2.078 -10.385 1.00 0.61 C ATOM 758 CD1 ILE A 52 2.278 1.969 -7.624 1.00 0.40 C ATOM 0 H ILE A 52 1.793 -0.026 -10.140 1.00 0.42 H new ATOM 0 HA ILE A 52 4.717 -0.451 -10.063 1.00 0.36 H new ATOM 0 HB ILE A 52 4.775 1.333 -8.333 1.00 0.41 H new ATOM 0 HG12 ILE A 52 3.341 3.369 -8.854 1.00 0.39 H new ATOM 0 HG13 ILE A 52 2.278 2.296 -9.744 1.00 0.39 H new ATOM 0 HG21 ILE A 52 5.238 3.102 -10.111 1.00 0.61 H new ATOM 0 HG22 ILE A 52 5.899 1.511 -10.560 1.00 0.61 H new ATOM 0 HG23 ILE A 52 4.382 2.085 -11.294 1.00 0.61 H new ATOM 0 HD11 ILE A 52 1.447 2.655 -7.458 1.00 0.40 H new ATOM 0 HD12 ILE A 52 1.899 0.950 -7.695 1.00 0.40 H new ATOM 0 HD13 ILE A 52 2.978 2.039 -6.791 1.00 0.40 H new ATOM 770 N ARG A 53 2.629 -1.942 -8.628 1.00 0.33 N ATOM 771 CA ARG A 53 2.138 -2.774 -7.529 1.00 0.38 C ATOM 772 C ARG A 53 3.280 -3.502 -6.846 1.00 0.36 C ATOM 773 O ARG A 53 3.429 -3.407 -5.630 1.00 0.33 O ATOM 774 CB ARG A 53 1.104 -3.770 -8.030 1.00 0.43 C ATOM 775 CG ARG A 53 -0.065 -2.982 -8.601 1.00 0.51 C ATOM 776 CD ARG A 53 -1.231 -3.850 -9.083 1.00 0.57 C ATOM 777 NE ARG A 53 -0.901 -5.271 -9.271 1.00 0.71 N ATOM 778 CZ ARG A 53 -0.265 -5.744 -10.352 1.00 1.67 C ATOM 779 NH1 ARG A 53 0.325 -4.882 -11.180 1.00 2.81 N ATOM 780 NH2 ARG A 53 -0.235 -7.058 -10.593 1.00 2.13 N ATOM 0 H ARG A 53 2.270 -2.204 -9.546 1.00 0.33 H new ATOM 0 HA ARG A 53 1.665 -2.118 -6.799 1.00 0.38 H new ATOM 0 HB2 ARG A 53 1.536 -4.418 -8.793 1.00 0.43 H new ATOM 0 HB3 ARG A 53 0.769 -4.414 -7.217 1.00 0.43 H new ATOM 0 HG2 ARG A 53 -0.430 -2.293 -7.840 1.00 0.51 H new ATOM 0 HG3 ARG A 53 0.292 -2.377 -9.434 1.00 0.51 H new ATOM 0 HD2 ARG A 53 -2.046 -3.772 -8.364 1.00 0.57 H new ATOM 0 HD3 ARG A 53 -1.600 -3.448 -10.027 1.00 0.57 H new ATOM 0 HE ARG A 53 -1.170 -5.931 -8.541 1.00 0.71 H new ATOM 0 HH11 ARG A 53 0.288 -3.881 -10.986 1.00 2.81 H new ATOM 0 HH12 ARG A 53 0.814 -5.223 -12.008 1.00 2.81 H new ATOM 0 HH21 ARG A 53 -0.697 -7.704 -9.953 1.00 2.13 H new ATOM 0 HH22 ARG A 53 0.250 -7.415 -11.417 1.00 2.13 H new ATOM 794 N ALA A 54 4.140 -4.126 -7.655 1.00 0.37 N ATOM 795 CA ALA A 54 5.347 -4.779 -7.182 1.00 0.38 C ATOM 796 C ALA A 54 6.199 -3.792 -6.388 1.00 0.37 C ATOM 797 O ALA A 54 6.930 -4.179 -5.476 1.00 0.36 O ATOM 798 CB ALA A 54 6.134 -5.309 -8.384 1.00 0.41 C ATOM 0 H ALA A 54 4.010 -4.188 -8.665 1.00 0.37 H new ATOM 0 HA ALA A 54 5.081 -5.610 -6.528 1.00 0.38 H new ATOM 0 HB1 ALA A 54 7.042 -5.801 -8.036 1.00 0.41 H new ATOM 0 HB2 ALA A 54 5.522 -6.024 -8.933 1.00 0.41 H new ATOM 0 HB3 ALA A 54 6.399 -4.480 -9.040 1.00 0.41 H new ATOM 804 N GLN A 55 6.126 -2.502 -6.741 1.00 0.36 N ATOM 805 CA GLN A 55 6.969 -1.511 -6.108 1.00 0.34 C ATOM 806 C GLN A 55 6.383 -1.157 -4.749 1.00 0.30 C ATOM 807 O GLN A 55 7.114 -1.056 -3.760 1.00 0.30 O ATOM 808 CB GLN A 55 7.177 -0.320 -7.054 1.00 0.36 C ATOM 809 CG GLN A 55 8.513 0.380 -6.781 1.00 0.47 C ATOM 810 CD GLN A 55 8.946 1.285 -7.932 1.00 1.02 C ATOM 811 OE1 GLN A 55 10.095 1.245 -8.360 1.00 2.11 O ATOM 812 NE2 GLN A 55 8.041 2.102 -8.462 1.00 1.67 N ATOM 0 H GLN A 55 5.496 -2.135 -7.454 1.00 0.36 H new ATOM 0 HA GLN A 55 7.969 -1.900 -5.915 1.00 0.34 H new ATOM 0 HB2 GLN A 55 7.149 -0.664 -8.088 1.00 0.36 H new ATOM 0 HB3 GLN A 55 6.360 0.391 -6.933 1.00 0.36 H new ATOM 0 HG2 GLN A 55 8.430 0.972 -5.870 1.00 0.47 H new ATOM 0 HG3 GLN A 55 9.283 -0.371 -6.604 1.00 0.47 H new ATOM 0 HE21 GLN A 55 7.091 2.120 -8.091 1.00 1.67 H new ATOM 0 HE22 GLN A 55 8.297 2.711 -9.239 1.00 1.67 H new ATOM 821 N VAL A 56 5.056 -1.029 -4.681 1.00 0.30 N ATOM 822 CA VAL A 56 4.401 -0.792 -3.416 1.00 0.30 C ATOM 823 C VAL A 56 4.603 -2.006 -2.503 1.00 0.30 C ATOM 824 O VAL A 56 4.982 -1.835 -1.346 1.00 0.33 O ATOM 825 CB VAL A 56 2.927 -0.501 -3.654 1.00 0.30 C ATOM 826 CG1 VAL A 56 2.234 -0.439 -2.289 1.00 0.38 C ATOM 827 CG2 VAL A 56 2.730 0.808 -4.425 1.00 0.49 C ATOM 0 H VAL A 56 4.429 -1.086 -5.484 1.00 0.30 H new ATOM 0 HA VAL A 56 4.836 0.076 -2.921 1.00 0.30 H new ATOM 0 HB VAL A 56 2.491 -1.291 -4.265 1.00 0.30 H new ATOM 0 HG11 VAL A 56 1.173 -0.231 -2.429 1.00 0.38 H new ATOM 0 HG12 VAL A 56 2.352 -1.394 -1.777 1.00 0.38 H new ATOM 0 HG13 VAL A 56 2.683 0.352 -1.689 1.00 0.38 H new ATOM 0 HG21 VAL A 56 1.665 0.984 -4.577 1.00 0.49 H new ATOM 0 HG22 VAL A 56 3.157 1.634 -3.855 1.00 0.49 H new ATOM 0 HG23 VAL A 56 3.228 0.739 -5.392 1.00 0.49 H new ATOM 837 N GLU A 57 4.366 -3.225 -3.010 1.00 0.29 N ATOM 838 CA GLU A 57 4.742 -4.438 -2.291 1.00 0.22 C ATOM 839 C GLU A 57 6.150 -4.306 -1.757 1.00 0.19 C ATOM 840 O GLU A 57 6.312 -4.332 -0.549 1.00 0.25 O ATOM 841 CB GLU A 57 4.641 -5.697 -3.153 1.00 0.34 C ATOM 842 CG GLU A 57 5.245 -6.934 -2.461 1.00 0.47 C ATOM 843 CD GLU A 57 5.305 -8.186 -3.323 1.00 1.15 C ATOM 844 OE1 GLU A 57 5.741 -8.067 -4.488 1.00 2.15 O ATOM 845 OE2 GLU A 57 5.032 -9.262 -2.740 1.00 2.23 O ATOM 0 H GLU A 57 3.918 -3.390 -3.911 1.00 0.29 H new ATOM 0 HA GLU A 57 4.033 -4.549 -1.471 1.00 0.22 H new ATOM 0 HB2 GLU A 57 3.594 -5.890 -3.387 1.00 0.34 H new ATOM 0 HB3 GLU A 57 5.154 -5.528 -4.100 1.00 0.34 H new ATOM 0 HG2 GLU A 57 6.254 -6.690 -2.130 1.00 0.47 H new ATOM 0 HG3 GLU A 57 4.661 -7.154 -1.567 1.00 0.47 H new ATOM 852 N SER A 58 7.153 -4.155 -2.626 1.00 0.19 N ATOM 853 CA SER A 58 8.544 -4.114 -2.194 1.00 0.23 C ATOM 854 C SER A 58 8.701 -3.146 -1.015 1.00 0.25 C ATOM 855 O SER A 58 9.287 -3.489 0.013 1.00 0.29 O ATOM 856 CB SER A 58 9.442 -3.745 -3.382 1.00 0.29 C ATOM 857 OG SER A 58 10.805 -3.908 -3.044 1.00 0.53 O ATOM 0 H SER A 58 7.023 -4.059 -3.633 1.00 0.19 H new ATOM 0 HA SER A 58 8.855 -5.098 -1.842 1.00 0.23 H new ATOM 0 HB2 SER A 58 9.197 -4.372 -4.239 1.00 0.29 H new ATOM 0 HB3 SER A 58 9.256 -2.713 -3.679 1.00 0.29 H new ATOM 0 HG SER A 58 11.364 -3.670 -3.813 1.00 0.53 H new ATOM 863 N ALA A 59 8.105 -1.957 -1.136 1.00 0.26 N ATOM 864 CA ALA A 59 8.116 -0.967 -0.073 1.00 0.28 C ATOM 865 C ALA A 59 7.471 -1.473 1.223 1.00 0.25 C ATOM 866 O ALA A 59 8.048 -1.309 2.294 1.00 0.30 O ATOM 867 CB ALA A 59 7.407 0.291 -0.558 1.00 0.33 C ATOM 0 H ALA A 59 7.604 -1.661 -1.974 1.00 0.26 H new ATOM 0 HA ALA A 59 9.157 -0.751 0.166 1.00 0.28 H new ATOM 0 HB1 ALA A 59 7.411 1.039 0.235 1.00 0.33 H new ATOM 0 HB2 ALA A 59 7.924 0.686 -1.433 1.00 0.33 H new ATOM 0 HB3 ALA A 59 6.378 0.049 -0.824 1.00 0.33 H new ATOM 873 N LEU A 60 6.271 -2.053 1.157 1.00 0.21 N ATOM 874 CA LEU A 60 5.524 -2.506 2.328 1.00 0.20 C ATOM 875 C LEU A 60 6.236 -3.684 2.985 1.00 0.21 C ATOM 876 O LEU A 60 6.400 -3.742 4.206 1.00 0.25 O ATOM 877 CB LEU A 60 4.107 -2.905 1.896 1.00 0.21 C ATOM 878 CG LEU A 60 3.221 -1.673 1.743 1.00 0.37 C ATOM 879 CD1 LEU A 60 2.107 -1.870 0.723 1.00 0.98 C ATOM 880 CD2 LEU A 60 2.591 -1.327 3.086 1.00 1.02 C ATOM 0 H LEU A 60 5.786 -2.223 0.276 1.00 0.21 H new ATOM 0 HA LEU A 60 5.463 -1.698 3.057 1.00 0.20 H new ATOM 0 HB2 LEU A 60 4.149 -3.448 0.952 1.00 0.21 H new ATOM 0 HB3 LEU A 60 3.674 -3.581 2.633 1.00 0.21 H new ATOM 0 HG LEU A 60 3.862 -0.866 1.388 1.00 0.37 H new ATOM 0 HD11 LEU A 60 1.509 -0.961 0.657 1.00 0.98 H new ATOM 0 HD12 LEU A 60 2.541 -2.091 -0.252 1.00 0.98 H new ATOM 0 HD13 LEU A 60 1.472 -2.700 1.033 1.00 0.98 H new ATOM 0 HD21 LEU A 60 1.958 -0.446 2.975 1.00 1.02 H new ATOM 0 HD22 LEU A 60 1.988 -2.166 3.432 1.00 1.02 H new ATOM 0 HD23 LEU A 60 3.376 -1.120 3.814 1.00 1.02 H new ATOM 892 N GLN A 61 6.678 -4.620 2.154 1.00 0.21 N ATOM 893 CA GLN A 61 7.477 -5.752 2.592 1.00 0.28 C ATOM 894 C GLN A 61 8.708 -5.246 3.342 1.00 0.31 C ATOM 895 O GLN A 61 8.961 -5.668 4.468 1.00 0.37 O ATOM 896 CB GLN A 61 7.809 -6.667 1.399 1.00 0.36 C ATOM 897 CG GLN A 61 7.181 -8.059 1.565 1.00 0.55 C ATOM 898 CD GLN A 61 7.009 -8.750 0.216 1.00 0.93 C ATOM 899 OE1 GLN A 61 7.986 -8.990 -0.487 1.00 2.23 O ATOM 900 NE2 GLN A 61 5.765 -9.044 -0.153 1.00 0.72 N ATOM 0 H GLN A 61 6.490 -4.613 1.152 1.00 0.21 H new ATOM 0 HA GLN A 61 6.913 -6.369 3.292 1.00 0.28 H new ATOM 0 HB2 GLN A 61 7.447 -6.211 0.478 1.00 0.36 H new ATOM 0 HB3 GLN A 61 8.890 -6.764 1.303 1.00 0.36 H new ATOM 0 HG2 GLN A 61 7.810 -8.670 2.212 1.00 0.55 H new ATOM 0 HG3 GLN A 61 6.212 -7.968 2.056 1.00 0.55 H new ATOM 0 HE21 GLN A 61 4.984 -8.825 0.466 1.00 0.72 H new ATOM 0 HE22 GLN A 61 5.592 -9.488 -1.055 1.00 0.72 H new ATOM 909 N LYS A 62 9.440 -4.295 2.754 1.00 0.32 N ATOM 910 CA LYS A 62 10.590 -3.691 3.410 1.00 0.41 C ATOM 911 C LYS A 62 10.180 -2.961 4.697 1.00 0.40 C ATOM 912 O LYS A 62 10.902 -3.012 5.690 1.00 0.49 O ATOM 913 CB LYS A 62 11.306 -2.744 2.439 1.00 0.54 C ATOM 914 CG LYS A 62 12.691 -2.365 2.978 1.00 1.25 C ATOM 915 CD LYS A 62 13.294 -1.242 2.127 1.00 1.75 C ATOM 916 CE LYS A 62 14.762 -0.971 2.488 1.00 2.93 C ATOM 917 NZ LYS A 62 14.946 -0.647 3.920 1.00 3.84 N ATOM 0 H LYS A 62 9.251 -3.930 1.821 1.00 0.32 H new ATOM 0 HA LYS A 62 11.281 -4.484 3.697 1.00 0.41 H new ATOM 0 HB2 LYS A 62 11.407 -3.222 1.465 1.00 0.54 H new ATOM 0 HB3 LYS A 62 10.708 -1.844 2.292 1.00 0.54 H new ATOM 0 HG2 LYS A 62 12.611 -2.043 4.016 1.00 1.25 H new ATOM 0 HG3 LYS A 62 13.347 -3.236 2.964 1.00 1.25 H new ATOM 0 HD2 LYS A 62 13.223 -1.509 1.072 1.00 1.75 H new ATOM 0 HD3 LYS A 62 12.713 -0.330 2.265 1.00 1.75 H new ATOM 0 HE2 LYS A 62 15.361 -1.846 2.238 1.00 2.93 H new ATOM 0 HE3 LYS A 62 15.135 -0.145 1.882 1.00 2.93 H new ATOM 0 HZ1 LYS A 62 15.927 -0.342 4.084 1.00 3.84 H new ATOM 0 HZ2 LYS A 62 14.295 0.118 4.189 1.00 3.84 H new ATOM 0 HZ3 LYS A 62 14.746 -1.490 4.495 1.00 3.84 H new ATOM 931 N ALA A 63 9.058 -2.236 4.670 1.00 0.33 N ATOM 932 CA ALA A 63 8.539 -1.508 5.822 1.00 0.35 C ATOM 933 C ALA A 63 8.285 -2.460 6.989 1.00 0.38 C ATOM 934 O ALA A 63 8.547 -2.098 8.134 1.00 0.52 O ATOM 935 CB ALA A 63 7.271 -0.736 5.448 1.00 0.33 C ATOM 0 H ALA A 63 8.480 -2.140 3.835 1.00 0.33 H new ATOM 0 HA ALA A 63 9.288 -0.783 6.139 1.00 0.35 H new ATOM 0 HB1 ALA A 63 6.900 -0.200 6.322 1.00 0.33 H new ATOM 0 HB2 ALA A 63 7.499 -0.024 4.655 1.00 0.33 H new ATOM 0 HB3 ALA A 63 6.509 -1.434 5.100 1.00 0.33 H new ATOM 941 N GLY A 64 7.799 -3.667 6.686 1.00 0.36 N ATOM 942 CA GLY A 64 7.718 -4.775 7.624 1.00 0.43 C ATOM 943 C GLY A 64 6.289 -5.282 7.744 1.00 0.42 C ATOM 944 O GLY A 64 5.754 -5.360 8.848 1.00 0.56 O ATOM 0 H GLY A 64 7.444 -3.900 5.758 1.00 0.36 H new ATOM 0 HA2 GLY A 64 8.369 -5.585 7.294 1.00 0.43 H new ATOM 0 HA3 GLY A 64 8.078 -4.456 8.602 1.00 0.43 H new ATOM 948 N TYR A 65 5.676 -5.640 6.613 1.00 0.37 N ATOM 949 CA TYR A 65 4.353 -6.244 6.568 1.00 0.45 C ATOM 950 C TYR A 65 4.372 -7.390 5.564 1.00 0.49 C ATOM 951 O TYR A 65 5.262 -7.453 4.718 1.00 0.90 O ATOM 952 CB TYR A 65 3.310 -5.203 6.145 1.00 0.49 C ATOM 953 CG TYR A 65 3.382 -3.885 6.889 1.00 0.51 C ATOM 954 CD1 TYR A 65 3.080 -3.826 8.260 1.00 1.81 C ATOM 955 CD2 TYR A 65 3.808 -2.724 6.219 1.00 1.73 C ATOM 956 CE1 TYR A 65 3.167 -2.602 8.946 1.00 1.80 C ATOM 957 CE2 TYR A 65 3.825 -1.488 6.886 1.00 1.81 C ATOM 958 CZ TYR A 65 3.492 -1.428 8.248 1.00 0.73 C ATOM 959 OH TYR A 65 3.463 -0.224 8.886 1.00 0.98 O ATOM 0 H TYR A 65 6.096 -5.514 5.692 1.00 0.37 H new ATOM 0 HA TYR A 65 4.089 -6.618 7.557 1.00 0.45 H new ATOM 0 HB2 TYR A 65 3.425 -5.008 5.079 1.00 0.49 H new ATOM 0 HB3 TYR A 65 2.316 -5.628 6.286 1.00 0.49 H new ATOM 0 HD1 TYR A 65 2.781 -4.720 8.786 1.00 1.81 H new ATOM 0 HD2 TYR A 65 4.123 -2.783 5.188 1.00 1.73 H new ATOM 0 HE1 TYR A 65 2.984 -2.565 10.010 1.00 1.80 H new ATOM 0 HE2 TYR A 65 4.093 -0.588 6.353 1.00 1.81 H new ATOM 0 HH TYR A 65 2.706 0.303 8.555 1.00 0.98 H new ATOM 969 N SER A 66 3.364 -8.258 5.625 1.00 0.42 N ATOM 970 CA SER A 66 3.126 -9.281 4.625 1.00 0.39 C ATOM 971 C SER A 66 1.873 -8.861 3.866 1.00 0.33 C ATOM 972 O SER A 66 0.835 -8.634 4.492 1.00 0.46 O ATOM 973 CB SER A 66 2.934 -10.635 5.313 1.00 0.52 C ATOM 974 OG SER A 66 4.080 -10.939 6.086 1.00 1.52 O ATOM 0 H SER A 66 2.683 -8.265 6.384 1.00 0.42 H new ATOM 0 HA SER A 66 3.966 -9.384 3.938 1.00 0.39 H new ATOM 0 HB2 SER A 66 2.049 -10.609 5.949 1.00 0.52 H new ATOM 0 HB3 SER A 66 2.768 -11.413 4.568 1.00 0.52 H new ATOM 0 HG SER A 66 3.956 -11.805 6.528 1.00 1.52 H new ATOM 980 N LEU A 67 1.967 -8.753 2.539 1.00 0.33 N ATOM 981 CA LEU A 67 0.824 -8.612 1.662 1.00 0.32 C ATOM 982 C LEU A 67 1.022 -9.534 0.475 1.00 0.42 C ATOM 983 O LEU A 67 2.068 -10.175 0.368 1.00 0.52 O ATOM 984 CB LEU A 67 0.649 -7.153 1.228 1.00 0.32 C ATOM 985 CG LEU A 67 1.794 -6.548 0.402 1.00 0.34 C ATOM 986 CD1 LEU A 67 1.877 -7.110 -1.017 1.00 0.73 C ATOM 987 CD2 LEU A 67 1.538 -5.044 0.398 1.00 0.79 C ATOM 0 H LEU A 67 2.859 -8.762 2.044 1.00 0.33 H new ATOM 0 HA LEU A 67 -0.091 -8.892 2.185 1.00 0.32 H new ATOM 0 HB2 LEU A 67 -0.270 -7.077 0.647 1.00 0.32 H new ATOM 0 HB3 LEU A 67 0.513 -6.544 2.122 1.00 0.32 H new ATOM 0 HG LEU A 67 2.758 -6.800 0.843 1.00 0.34 H new ATOM 0 HD11 LEU A 67 2.706 -6.641 -1.546 1.00 0.73 H new ATOM 0 HD12 LEU A 67 2.038 -8.187 -0.973 1.00 0.73 H new ATOM 0 HD13 LEU A 67 0.946 -6.903 -1.545 1.00 0.73 H new ATOM 0 HD21 LEU A 67 2.319 -4.544 -0.175 1.00 0.79 H new ATOM 0 HD22 LEU A 67 0.568 -4.841 -0.056 1.00 0.79 H new ATOM 0 HD23 LEU A 67 1.544 -4.671 1.422 1.00 0.79 H new ATOM 999 N ARG A 68 0.028 -9.583 -0.415 1.00 0.54 N ATOM 1000 CA ARG A 68 0.133 -10.210 -1.717 1.00 0.75 C ATOM 1001 C ARG A 68 -0.531 -9.230 -2.674 1.00 0.76 C ATOM 1002 O ARG A 68 -1.639 -8.781 -2.373 1.00 0.94 O ATOM 1003 CB ARG A 68 -0.628 -11.544 -1.738 1.00 0.94 C ATOM 1004 CG ARG A 68 -0.363 -12.418 -0.501 1.00 0.74 C ATOM 1005 CD ARG A 68 0.111 -13.842 -0.832 1.00 1.72 C ATOM 1006 NE ARG A 68 -0.975 -14.734 -1.266 1.00 2.16 N ATOM 1007 CZ ARG A 68 -0.807 -16.040 -1.547 1.00 2.83 C ATOM 1008 NH1 ARG A 68 0.427 -16.553 -1.613 1.00 3.17 N ATOM 1009 NH2 ARG A 68 -1.868 -16.829 -1.749 1.00 4.39 N ATOM 0 H ARG A 68 -0.890 -9.176 -0.238 1.00 0.54 H new ATOM 0 HA ARG A 68 1.168 -10.425 -1.981 1.00 0.75 H new ATOM 0 HB2 ARG A 68 -1.697 -11.343 -1.809 1.00 0.94 H new ATOM 0 HB3 ARG A 68 -0.348 -12.100 -2.633 1.00 0.94 H new ATOM 0 HG2 ARG A 68 0.388 -11.931 0.121 1.00 0.74 H new ATOM 0 HG3 ARG A 68 -1.276 -12.478 0.091 1.00 0.74 H new ATOM 0 HD2 ARG A 68 0.866 -13.792 -1.617 1.00 1.72 H new ATOM 0 HD3 ARG A 68 0.593 -14.270 0.047 1.00 1.72 H new ATOM 0 HE ARG A 68 -1.911 -14.340 -1.360 1.00 2.16 H new ATOM 0 HH11 ARG A 68 1.237 -15.955 -1.451 1.00 3.17 H new ATOM 0 HH12 ARG A 68 0.557 -17.542 -1.826 1.00 3.17 H new ATOM 0 HH21 ARG A 68 -2.810 -16.442 -1.690 1.00 4.39 H new ATOM 0 HH22 ARG A 68 -1.735 -17.818 -1.962 1.00 4.39 H new ATOM 1023 N ASP A 69 0.139 -8.870 -3.768 1.00 0.79 N ATOM 1024 CA ASP A 69 -0.411 -8.034 -4.814 1.00 0.75 C ATOM 1025 C ASP A 69 -1.742 -8.609 -5.261 1.00 0.67 C ATOM 1026 O ASP A 69 -1.807 -9.701 -5.827 1.00 0.94 O ATOM 1027 CB ASP A 69 0.550 -7.965 -6.001 1.00 0.97 C ATOM 1028 CG ASP A 69 1.766 -7.124 -5.682 1.00 2.86 C ATOM 1029 OD1 ASP A 69 2.304 -7.351 -4.582 1.00 4.18 O ATOM 1030 OD2 ASP A 69 2.102 -6.266 -6.525 1.00 4.01 O ATOM 0 H ASP A 69 1.100 -9.162 -3.948 1.00 0.79 H new ATOM 0 HA ASP A 69 -0.556 -7.025 -4.428 1.00 0.75 H new ATOM 0 HB2 ASP A 69 0.865 -8.972 -6.275 1.00 0.97 H new ATOM 0 HB3 ASP A 69 0.033 -7.547 -6.865 1.00 0.97 H new ATOM 1035 N GLU A 70 -2.798 -7.867 -4.960 1.00 0.50 N ATOM 1036 CA GLU A 70 -4.161 -8.249 -5.258 1.00 0.50 C ATOM 1037 C GLU A 70 -4.497 -7.860 -6.701 1.00 0.51 C ATOM 1038 O GLU A 70 -3.621 -7.422 -7.455 1.00 0.72 O ATOM 1039 CB GLU A 70 -5.092 -7.638 -4.204 1.00 0.56 C ATOM 1040 CG GLU A 70 -5.948 -8.665 -3.473 1.00 0.59 C ATOM 1041 CD GLU A 70 -7.128 -9.098 -4.314 1.00 1.27 C ATOM 1042 OE1 GLU A 70 -7.621 -8.230 -5.071 1.00 2.24 O ATOM 1043 OE2 GLU A 70 -7.469 -10.299 -4.259 1.00 2.58 O ATOM 0 H GLU A 70 -2.724 -6.964 -4.492 1.00 0.50 H new ATOM 0 HA GLU A 70 -4.297 -9.329 -5.201 1.00 0.50 H new ATOM 0 HB2 GLU A 70 -4.493 -7.093 -3.475 1.00 0.56 H new ATOM 0 HB3 GLU A 70 -5.745 -6.911 -4.687 1.00 0.56 H new ATOM 0 HG2 GLU A 70 -5.340 -9.534 -3.221 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -6.304 -8.242 -2.534 1.00 0.59 H new ATOM 1050 N GLN A 71 -5.756 -8.043 -7.112 1.00 0.51 N ATOM 1051 CA GLN A 71 -6.184 -7.525 -8.401 1.00 0.55 C ATOM 1052 C GLN A 71 -6.074 -5.997 -8.393 1.00 0.69 C ATOM 1053 O GLN A 71 -5.881 -5.360 -7.354 1.00 0.90 O ATOM 1054 CB GLN A 71 -7.618 -7.962 -8.750 1.00 0.68 C ATOM 1055 CG GLN A 71 -7.753 -9.454 -9.102 1.00 2.03 C ATOM 1056 CD GLN A 71 -7.583 -10.403 -7.921 1.00 3.17 C ATOM 1057 OE1 GLN A 71 -8.242 -10.104 -6.813 1.00 4.41 O flip ATOM 1058 NE2 GLN A 71 -6.867 -11.394 -8.013 1.00 3.53 N flip ATOM 0 H GLN A 71 -6.475 -8.534 -6.581 1.00 0.51 H new ATOM 0 HA GLN A 71 -5.531 -7.938 -9.170 1.00 0.55 H new ATOM 0 HB2 GLN A 71 -8.270 -7.739 -7.905 1.00 0.68 H new ATOM 0 HB3 GLN A 71 -7.972 -7.368 -9.592 1.00 0.68 H new ATOM 0 HG2 GLN A 71 -8.734 -9.621 -9.547 1.00 2.03 H new ATOM 0 HG3 GLN A 71 -7.011 -9.703 -9.861 1.00 2.03 H new ATOM 0 HE21 GLN A 71 -6.376 -11.589 -8.885 1.00 3.53 H new ATOM 0 HE22 GLN A 71 -6.763 -12.023 -7.217 1.00 3.53 H new