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 Set 1.1: A 36 GLN : amide:sc= 1.01 K(o=2.2,f=-9.3!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 169:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 18 CYS SG : rot 180:sc= 0.436 USER MOD Set 2.2: A 65 TYR OH : rot -25:sc= 0.496 USER MOD Set 3.1: A 4 THR OG1 : rot 72:sc= 1.06 USER MOD Set 3.2: A 6 TYR OH : rot 150:sc= -0.0488 USER MOD Single : A 7 SER OG : rot -38:sc= 0.752 USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= 1.05 (180deg=-0.493) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -149:sc= -0.191 (180deg=-0.302) USER MOD Single : A 15 CYS SG : rot 58:sc= -0.0093 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.277 X(o=0.28,f=-0.18) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.14 F(o=-0.93,f=-0.14) USER MOD Single : A 33 ASN : amide:sc=-0.00387 X(o=-0.0039,f=-0.35) USER MOD Single : A 34 GLN : amide:sc= 0.285 X(o=0.29,f=-0.0037) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.23) USER MOD Single : A 55 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.93) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.07 K(o=1.1,f=-0.13) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 38:sc= 0.493 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.147 4.468 -12.385 1.00 0.67 N ATOM 20 CA THR A 4 -5.287 3.042 -12.142 1.00 0.61 C ATOM 21 C THR A 4 -5.278 2.762 -10.650 1.00 0.50 C ATOM 22 O THR A 4 -4.402 3.209 -9.919 1.00 0.55 O ATOM 23 CB THR A 4 -4.172 2.241 -12.824 1.00 0.93 C ATOM 24 OG1 THR A 4 -3.339 3.083 -13.577 1.00 1.86 O ATOM 25 CG2 THR A 4 -4.713 1.094 -13.678 1.00 1.32 C ATOM 0 HA THR A 4 -6.240 2.727 -12.568 1.00 0.61 H new ATOM 0 HB THR A 4 -3.577 1.787 -12.031 1.00 0.93 H new ATOM 0 HG1 THR A 4 -2.784 3.619 -12.973 1.00 1.86 H new ATOM 0 HG21 THR A 4 -3.882 0.560 -14.138 1.00 1.32 H new ATOM 0 HG22 THR A 4 -5.281 0.409 -13.049 1.00 1.32 H new ATOM 0 HG23 THR A 4 -5.362 1.495 -14.457 1.00 1.32 H new ATOM 33 N ARG A 5 -6.214 1.922 -10.245 1.00 0.43 N ATOM 34 CA ARG A 5 -6.406 1.492 -8.878 1.00 0.35 C ATOM 35 C ARG A 5 -5.703 0.149 -8.716 1.00 0.40 C ATOM 36 O ARG A 5 -5.775 -0.687 -9.614 1.00 0.80 O ATOM 37 CB ARG A 5 -7.910 1.337 -8.650 1.00 0.51 C ATOM 38 CG ARG A 5 -8.222 0.911 -7.213 1.00 0.64 C ATOM 39 CD ARG A 5 -9.641 0.336 -7.147 1.00 1.22 C ATOM 40 NE ARG A 5 -9.831 -0.497 -5.950 1.00 2.57 N ATOM 41 CZ ARG A 5 -10.724 -1.498 -5.859 1.00 3.77 C ATOM 42 NH1 ARG A 5 -11.673 -1.644 -6.791 1.00 3.60 N ATOM 43 NH2 ARG A 5 -10.665 -2.349 -4.827 1.00 5.57 N ATOM 0 H ARG A 5 -6.887 1.506 -10.889 1.00 0.43 H new ATOM 0 HA ARG A 5 -6.000 2.205 -8.160 1.00 0.35 H new ATOM 0 HB2 ARG A 5 -8.410 2.281 -8.867 1.00 0.51 H new ATOM 0 HB3 ARG A 5 -8.309 0.597 -9.344 1.00 0.51 H new ATOM 0 HG2 ARG A 5 -7.500 0.166 -6.879 1.00 0.64 H new ATOM 0 HG3 ARG A 5 -8.133 1.765 -6.542 1.00 0.64 H new ATOM 0 HD2 ARG A 5 -10.365 1.151 -7.143 1.00 1.22 H new ATOM 0 HD3 ARG A 5 -9.835 -0.259 -8.040 1.00 1.22 H new ATOM 0 HE ARG A 5 -9.248 -0.303 -5.136 1.00 2.57 H new ATOM 0 HH11 ARG A 5 -11.722 -0.994 -7.576 1.00 3.60 H new ATOM 0 HH12 ARG A 5 -12.348 -2.405 -6.717 1.00 3.60 H new ATOM 0 HH21 ARG A 5 -9.945 -2.236 -4.114 1.00 5.57 H new ATOM 0 HH22 ARG A 5 -11.340 -3.110 -4.754 1.00 5.57 H new ATOM 57 N TYR A 6 -5.045 -0.056 -7.575 1.00 0.25 N ATOM 58 CA TYR A 6 -4.376 -1.291 -7.214 1.00 0.25 C ATOM 59 C TYR A 6 -4.729 -1.658 -5.788 1.00 0.26 C ATOM 60 O TYR A 6 -4.517 -0.826 -4.908 1.00 0.42 O ATOM 61 CB TYR A 6 -2.877 -1.128 -7.425 1.00 0.30 C ATOM 62 CG TYR A 6 -2.512 -0.709 -8.830 1.00 0.33 C ATOM 63 CD1 TYR A 6 -2.896 -1.525 -9.911 1.00 1.66 C ATOM 64 CD2 TYR A 6 -1.906 0.533 -9.074 1.00 1.70 C ATOM 65 CE1 TYR A 6 -2.561 -1.169 -11.223 1.00 1.73 C ATOM 66 CE2 TYR A 6 -1.620 0.909 -10.394 1.00 1.70 C ATOM 67 CZ TYR A 6 -1.876 0.030 -11.459 1.00 0.60 C ATOM 68 OH TYR A 6 -1.587 0.403 -12.737 1.00 0.80 O ATOM 0 H TYR A 6 -4.964 0.663 -6.856 1.00 0.25 H new ATOM 0 HA TYR A 6 -4.709 -2.112 -7.849 1.00 0.25 H new ATOM 0 HB2 TYR A 6 -2.497 -0.387 -6.722 1.00 0.30 H new ATOM 0 HB3 TYR A 6 -2.380 -2.070 -7.194 1.00 0.30 H new ATOM 0 HD1 TYR A 6 -3.453 -2.432 -9.727 1.00 1.66 H new ATOM 0 HD2 TYR A 6 -1.663 1.192 -8.254 1.00 1.70 H new ATOM 0 HE1 TYR A 6 -2.829 -1.814 -12.047 1.00 1.73 H new ATOM 0 HE2 TYR A 6 -1.199 1.883 -10.594 1.00 1.70 H new ATOM 0 HH TYR A 6 -1.568 1.381 -12.796 1.00 0.80 H new ATOM 78 N SER A 7 -5.283 -2.860 -5.561 1.00 0.24 N ATOM 79 CA SER A 7 -5.587 -3.355 -4.226 1.00 0.29 C ATOM 80 C SER A 7 -4.530 -4.366 -3.762 1.00 0.31 C ATOM 81 O SER A 7 -3.887 -5.017 -4.587 1.00 0.33 O ATOM 82 CB SER A 7 -7.022 -3.894 -4.162 1.00 0.32 C ATOM 83 OG SER A 7 -7.311 -4.904 -5.103 1.00 2.07 O ATOM 0 H SER A 7 -5.530 -3.511 -6.306 1.00 0.24 H new ATOM 0 HA SER A 7 -5.540 -2.527 -3.518 1.00 0.29 H new ATOM 0 HB2 SER A 7 -7.205 -4.285 -3.161 1.00 0.32 H new ATOM 0 HB3 SER A 7 -7.715 -3.066 -4.313 1.00 0.32 H new ATOM 0 HG SER A 7 -6.870 -4.695 -5.953 1.00 2.07 H new ATOM 89 N TRP A 8 -4.323 -4.470 -2.444 1.00 0.33 N ATOM 90 CA TRP A 8 -3.586 -5.556 -1.798 1.00 0.38 C ATOM 91 C TRP A 8 -4.408 -6.023 -0.594 1.00 0.48 C ATOM 92 O TRP A 8 -5.343 -5.333 -0.182 1.00 0.66 O ATOM 93 CB TRP A 8 -2.214 -5.118 -1.273 1.00 0.33 C ATOM 94 CG TRP A 8 -1.236 -4.394 -2.144 1.00 0.32 C ATOM 95 CD1 TRP A 8 -0.019 -4.830 -2.508 1.00 0.57 C ATOM 96 CD2 TRP A 8 -1.355 -3.123 -2.818 1.00 0.39 C ATOM 97 NE1 TRP A 8 0.697 -3.755 -3.032 1.00 0.92 N ATOM 98 CE2 TRP A 8 -0.057 -2.584 -3.022 1.00 0.86 C ATOM 99 CE3 TRP A 8 -2.198 -2.695 -3.848 1.00 0.72 C ATOM 100 CZ2 TRP A 8 0.005 -1.366 -3.752 1.00 1.06 C ATOM 101 CZ3 TRP A 8 -1.536 -2.440 -5.087 1.00 0.75 C ATOM 102 CH2 TRP A 8 -0.536 -1.474 -5.021 1.00 0.45 C ATOM 0 H TRP A 8 -4.675 -3.780 -1.781 1.00 0.33 H new ATOM 0 HA TRP A 8 -3.428 -6.338 -2.541 1.00 0.38 H new ATOM 0 HB2 TRP A 8 -2.395 -4.483 -0.405 1.00 0.33 H new ATOM 0 HB3 TRP A 8 -1.712 -6.016 -0.912 1.00 0.33 H new ATOM 0 HD1 TRP A 8 0.344 -5.843 -2.411 1.00 0.57 H new ATOM 0 HE1 TRP A 8 1.654 -3.818 -3.379 1.00 0.92 H new ATOM 0 HE3 TRP A 8 -3.262 -2.568 -3.717 1.00 0.72 H new ATOM 0 HZ2 TRP A 8 0.429 -0.454 -3.358 1.00 1.06 H new ATOM 0 HZ3 TRP A 8 -1.791 -2.955 -6.002 1.00 0.75 H new ATOM 0 HH2 TRP A 8 -0.219 -0.877 -5.863 1.00 0.45 H new ATOM 113 N LYS A 9 -4.004 -7.146 0.008 1.00 0.40 N ATOM 114 CA LYS A 9 -4.465 -7.597 1.314 1.00 0.34 C ATOM 115 C LYS A 9 -3.236 -7.557 2.200 1.00 0.40 C ATOM 116 O LYS A 9 -2.259 -8.215 1.849 1.00 0.61 O ATOM 117 CB LYS A 9 -4.962 -9.044 1.217 1.00 0.38 C ATOM 118 CG LYS A 9 -6.210 -9.145 0.342 1.00 1.49 C ATOM 119 CD LYS A 9 -5.956 -10.039 -0.871 1.00 1.10 C ATOM 120 CE LYS A 9 -6.013 -11.549 -0.635 1.00 1.22 C ATOM 121 NZ LYS A 9 -6.298 -12.243 -1.914 1.00 1.95 N ATOM 0 H LYS A 9 -3.328 -7.781 -0.417 1.00 0.40 H new ATOM 0 HA LYS A 9 -5.279 -6.981 1.695 1.00 0.34 H new ATOM 0 HB2 LYS A 9 -4.174 -9.674 0.805 1.00 0.38 H new ATOM 0 HB3 LYS A 9 -5.183 -9.422 2.215 1.00 0.38 H new ATOM 0 HG2 LYS A 9 -7.038 -9.546 0.927 1.00 1.49 H new ATOM 0 HG3 LYS A 9 -6.507 -8.150 0.010 1.00 1.49 H new ATOM 0 HD2 LYS A 9 -6.687 -9.787 -1.639 1.00 1.10 H new ATOM 0 HD3 LYS A 9 -4.973 -9.794 -1.274 1.00 1.10 H new ATOM 0 HE2 LYS A 9 -5.066 -11.899 -0.223 1.00 1.22 H new ATOM 0 HE3 LYS A 9 -6.785 -11.784 0.097 1.00 1.22 H new ATOM 0 HZ1 LYS A 9 -6.948 -13.036 -1.741 1.00 1.95 H new ATOM 0 HZ2 LYS A 9 -6.736 -11.576 -2.581 1.00 1.95 H new ATOM 0 HZ3 LYS A 9 -5.410 -12.604 -2.318 1.00 1.95 H new ATOM 135 N VAL A 10 -3.249 -6.782 3.287 1.00 0.36 N ATOM 136 CA VAL A 10 -2.109 -6.650 4.172 1.00 0.41 C ATOM 137 C VAL A 10 -2.360 -7.478 5.435 1.00 0.55 C ATOM 138 O VAL A 10 -3.486 -7.897 5.689 1.00 1.15 O ATOM 139 CB VAL A 10 -1.897 -5.155 4.482 1.00 0.46 C ATOM 140 CG1 VAL A 10 -0.481 -4.923 5.004 1.00 0.58 C ATOM 141 CG2 VAL A 10 -2.064 -4.282 3.233 1.00 0.43 C ATOM 0 H VAL A 10 -4.058 -6.230 3.572 1.00 0.36 H new ATOM 0 HA VAL A 10 -1.199 -7.028 3.707 1.00 0.41 H new ATOM 0 HB VAL A 10 -2.647 -4.881 5.224 1.00 0.46 H new ATOM 0 HG11 VAL A 10 -0.342 -3.864 5.220 1.00 0.58 H new ATOM 0 HG12 VAL A 10 -0.330 -5.502 5.915 1.00 0.58 H new ATOM 0 HG13 VAL A 10 0.241 -5.238 4.250 1.00 0.58 H new ATOM 0 HG21 VAL A 10 -1.906 -3.236 3.496 1.00 0.43 H new ATOM 0 HG22 VAL A 10 -1.335 -4.581 2.480 1.00 0.43 H new ATOM 0 HG23 VAL A 10 -3.070 -4.408 2.833 1.00 0.43 H new ATOM 151 N SER A 11 -1.321 -7.712 6.237 1.00 0.30 N ATOM 152 CA SER A 11 -1.476 -8.184 7.602 1.00 0.37 C ATOM 153 C SER A 11 -0.374 -7.551 8.448 1.00 0.45 C ATOM 154 O SER A 11 0.805 -7.808 8.201 1.00 0.68 O ATOM 155 CB SER A 11 -1.424 -9.716 7.638 1.00 0.47 C ATOM 156 OG SER A 11 -2.068 -10.188 8.805 1.00 1.15 O ATOM 0 H SER A 11 -0.351 -7.578 5.953 1.00 0.30 H new ATOM 0 HA SER A 11 -2.444 -7.893 8.009 1.00 0.37 H new ATOM 0 HB2 SER A 11 -1.909 -10.127 6.752 1.00 0.47 H new ATOM 0 HB3 SER A 11 -0.388 -10.055 7.620 1.00 0.47 H new ATOM 0 HG SER A 11 -2.034 -11.167 8.824 1.00 1.15 H new ATOM 162 N GLY A 12 -0.753 -6.702 9.409 1.00 0.43 N ATOM 163 CA GLY A 12 0.146 -6.212 10.451 1.00 0.52 C ATOM 164 C GLY A 12 -0.167 -4.772 10.846 1.00 0.56 C ATOM 165 O GLY A 12 -0.173 -4.431 12.027 1.00 0.72 O ATOM 0 H GLY A 12 -1.702 -6.334 9.483 1.00 0.43 H new ATOM 0 HA2 GLY A 12 0.068 -6.854 11.329 1.00 0.52 H new ATOM 0 HA3 GLY A 12 1.176 -6.276 10.100 1.00 0.52 H new ATOM 169 N MET A 13 -0.400 -3.911 9.855 1.00 0.65 N ATOM 170 CA MET A 13 -0.647 -2.499 10.100 1.00 0.72 C ATOM 171 C MET A 13 -2.017 -2.282 10.757 1.00 0.71 C ATOM 172 O MET A 13 -3.021 -2.180 10.065 1.00 1.09 O ATOM 173 CB MET A 13 -0.442 -1.695 8.801 1.00 1.01 C ATOM 174 CG MET A 13 -1.441 -2.009 7.676 1.00 1.15 C ATOM 175 SD MET A 13 -2.536 -0.622 7.255 1.00 1.57 S ATOM 176 CE MET A 13 -3.928 -1.524 6.556 1.00 1.88 C ATOM 0 H MET A 13 -0.422 -4.174 8.870 1.00 0.65 H new ATOM 0 HA MET A 13 0.080 -2.120 10.818 1.00 0.72 H new ATOM 0 HB2 MET A 13 -0.505 -0.632 9.036 1.00 1.01 H new ATOM 0 HB3 MET A 13 0.567 -1.881 8.432 1.00 1.01 H new ATOM 0 HG2 MET A 13 -0.888 -2.306 6.785 1.00 1.15 H new ATOM 0 HG3 MET A 13 -2.050 -2.863 7.972 1.00 1.15 H new ATOM 0 HE1 MET A 13 -4.407 -0.916 5.788 1.00 1.88 H new ATOM 0 HE2 MET A 13 -3.573 -2.455 6.113 1.00 1.88 H new ATOM 0 HE3 MET A 13 -4.648 -1.748 7.343 1.00 1.88 H new ATOM 186 N ASP A 14 -2.050 -2.164 12.087 1.00 0.69 N ATOM 187 CA ASP A 14 -3.211 -1.668 12.821 1.00 0.82 C ATOM 188 C ASP A 14 -2.742 -0.822 14.005 1.00 0.80 C ATOM 189 O ASP A 14 -2.426 -1.353 15.066 1.00 1.14 O ATOM 190 CB ASP A 14 -4.117 -2.817 13.275 1.00 1.16 C ATOM 191 CG ASP A 14 -5.310 -2.291 14.068 1.00 1.93 C ATOM 192 OD1 ASP A 14 -5.688 -1.123 13.824 1.00 3.12 O ATOM 193 OD2 ASP A 14 -5.819 -3.060 14.910 1.00 2.61 O ATOM 0 H ASP A 14 -1.264 -2.413 12.687 1.00 0.69 H new ATOM 0 HA ASP A 14 -3.807 -1.042 12.157 1.00 0.82 H new ATOM 0 HB2 ASP A 14 -4.470 -3.372 12.406 1.00 1.16 H new ATOM 0 HB3 ASP A 14 -3.547 -3.514 13.889 1.00 1.16 H new ATOM 198 N CYS A 15 -2.638 0.498 13.809 1.00 0.72 N ATOM 199 CA CYS A 15 -2.431 1.464 14.889 1.00 0.80 C ATOM 200 C CYS A 15 -2.648 2.886 14.366 1.00 1.02 C ATOM 201 O CYS A 15 -3.737 3.437 14.489 1.00 2.38 O ATOM 202 CB CYS A 15 -1.048 1.289 15.553 1.00 0.87 C ATOM 203 SG CYS A 15 -1.230 0.581 17.209 1.00 1.33 S ATOM 0 H CYS A 15 -2.696 0.928 12.886 1.00 0.72 H new ATOM 0 HA CYS A 15 -3.168 1.277 15.670 1.00 0.80 H new ATOM 0 HB2 CYS A 15 -0.422 0.641 14.940 1.00 0.87 H new ATOM 0 HB3 CYS A 15 -0.543 2.253 15.616 1.00 0.87 H new ATOM 0 HG CYS A 15 -1.840 -0.564 17.127 1.00 1.33 H new ATOM 209 N ALA A 16 -1.611 3.479 13.762 1.00 0.77 N ATOM 210 CA ALA A 16 -1.623 4.825 13.186 1.00 0.85 C ATOM 211 C ALA A 16 -0.277 5.077 12.508 1.00 1.07 C ATOM 212 O ALA A 16 -0.190 5.316 11.305 1.00 2.18 O ATOM 213 CB ALA A 16 -1.886 5.886 14.262 1.00 1.12 C ATOM 0 H ALA A 16 -0.708 3.016 13.658 1.00 0.77 H new ATOM 0 HA ALA A 16 -2.428 4.895 12.455 1.00 0.85 H new ATOM 0 HB1 ALA A 16 -1.889 6.875 13.804 1.00 1.12 H new ATOM 0 HB2 ALA A 16 -2.853 5.699 14.729 1.00 1.12 H new ATOM 0 HB3 ALA A 16 -1.103 5.839 15.019 1.00 1.12 H new ATOM 219 N ALA A 17 0.801 4.963 13.287 1.00 0.64 N ATOM 220 CA ALA A 17 2.163 5.069 12.779 1.00 0.64 C ATOM 221 C ALA A 17 2.425 4.064 11.652 1.00 0.50 C ATOM 222 O ALA A 17 3.193 4.355 10.737 1.00 0.63 O ATOM 223 CB ALA A 17 3.152 4.872 13.929 1.00 0.85 C ATOM 0 H ALA A 17 0.749 4.794 14.292 1.00 0.64 H new ATOM 0 HA ALA A 17 2.299 6.064 12.355 1.00 0.64 H new ATOM 0 HB1 ALA A 17 4.171 4.951 13.550 1.00 0.85 H new ATOM 0 HB2 ALA A 17 2.986 5.638 14.687 1.00 0.85 H new ATOM 0 HB3 ALA A 17 3.005 3.887 14.371 1.00 0.85 H new ATOM 229 N CYS A 18 1.780 2.893 11.710 1.00 0.37 N ATOM 230 CA CYS A 18 1.922 1.866 10.695 1.00 0.36 C ATOM 231 C CYS A 18 1.186 2.319 9.443 1.00 0.29 C ATOM 232 O CYS A 18 1.713 2.181 8.344 1.00 0.30 O ATOM 233 CB CYS A 18 1.394 0.520 11.197 1.00 0.50 C ATOM 234 SG CYS A 18 2.617 -0.274 12.267 1.00 1.76 S ATOM 0 H CYS A 18 1.146 2.639 12.467 1.00 0.37 H new ATOM 0 HA CYS A 18 2.977 1.722 10.462 1.00 0.36 H new ATOM 0 HB2 CYS A 18 0.463 0.668 11.745 1.00 0.50 H new ATOM 0 HB3 CYS A 18 1.166 -0.128 10.350 1.00 0.50 H new ATOM 0 HG CYS A 18 2.153 -1.414 12.686 1.00 1.76 H new ATOM 240 N ALA A 19 -0.005 2.911 9.600 1.00 0.33 N ATOM 241 CA ALA A 19 -0.712 3.467 8.457 1.00 0.41 C ATOM 242 C ALA A 19 0.120 4.559 7.796 1.00 0.38 C ATOM 243 O ALA A 19 0.189 4.619 6.571 1.00 0.47 O ATOM 244 CB ALA A 19 -2.110 3.983 8.801 1.00 0.55 C ATOM 0 H ALA A 19 -0.486 3.013 10.494 1.00 0.33 H new ATOM 0 HA ALA A 19 -0.856 2.647 7.753 1.00 0.41 H new ATOM 0 HB1 ALA A 19 -2.581 4.384 7.903 1.00 0.55 H new ATOM 0 HB2 ALA A 19 -2.714 3.164 9.193 1.00 0.55 H new ATOM 0 HB3 ALA A 19 -2.033 4.769 9.552 1.00 0.55 H new ATOM 250 N ARG A 20 0.789 5.411 8.579 1.00 0.35 N ATOM 251 CA ARG A 20 1.710 6.328 7.966 1.00 0.42 C ATOM 252 C ARG A 20 2.836 5.576 7.254 1.00 0.39 C ATOM 253 O ARG A 20 3.045 5.802 6.071 1.00 0.40 O ATOM 254 CB ARG A 20 2.186 7.438 8.882 1.00 0.46 C ATOM 255 CG ARG A 20 0.990 8.298 9.325 1.00 0.52 C ATOM 256 CD ARG A 20 1.421 9.474 10.205 1.00 1.09 C ATOM 257 NE ARG A 20 1.728 9.033 11.574 1.00 2.07 N ATOM 258 CZ ARG A 20 2.217 9.828 12.541 1.00 3.05 C ATOM 259 NH1 ARG A 20 2.518 11.101 12.263 1.00 3.42 N ATOM 260 NH2 ARG A 20 2.400 9.346 13.776 1.00 4.60 N ATOM 0 H ARG A 20 0.706 5.474 9.594 1.00 0.35 H new ATOM 0 HA ARG A 20 1.155 6.867 7.199 1.00 0.42 H new ATOM 0 HB2 ARG A 20 2.683 7.014 9.754 1.00 0.46 H new ATOM 0 HB3 ARG A 20 2.920 8.058 8.367 1.00 0.46 H new ATOM 0 HG2 ARG A 20 0.470 8.676 8.445 1.00 0.52 H new ATOM 0 HG3 ARG A 20 0.281 7.677 9.872 1.00 0.52 H new ATOM 0 HD2 ARG A 20 2.298 9.954 9.770 1.00 1.09 H new ATOM 0 HD3 ARG A 20 0.628 10.221 10.231 1.00 1.09 H new ATOM 0 HE ARG A 20 1.558 8.054 11.806 1.00 2.07 H new ATOM 0 HH11 ARG A 20 2.376 11.464 11.321 1.00 3.42 H new ATOM 0 HH12 ARG A 20 2.889 11.708 12.993 1.00 3.42 H new ATOM 0 HH21 ARG A 20 2.168 8.375 13.984 1.00 4.60 H new ATOM 0 HH22 ARG A 20 2.771 9.950 14.509 1.00 4.60 H new ATOM 274 N LYS A 21 3.553 4.670 7.919 1.00 0.37 N ATOM 275 CA LYS A 21 4.580 3.870 7.248 1.00 0.36 C ATOM 276 C LYS A 21 4.087 3.329 5.896 1.00 0.31 C ATOM 277 O LYS A 21 4.779 3.466 4.891 1.00 0.30 O ATOM 278 CB LYS A 21 5.059 2.738 8.169 1.00 0.38 C ATOM 279 CG LYS A 21 6.516 2.897 8.624 1.00 0.92 C ATOM 280 CD LYS A 21 6.728 4.142 9.498 1.00 0.97 C ATOM 281 CE LYS A 21 8.171 4.155 10.029 1.00 1.83 C ATOM 282 NZ LYS A 21 8.482 5.384 10.789 1.00 2.94 N ATOM 0 H LYS A 21 3.444 4.472 8.914 1.00 0.37 H new ATOM 0 HA LYS A 21 5.429 4.519 7.035 1.00 0.36 H new ATOM 0 HB2 LYS A 21 4.414 2.697 9.047 1.00 0.38 H new ATOM 0 HB3 LYS A 21 4.950 1.786 7.649 1.00 0.38 H new ATOM 0 HG2 LYS A 21 6.818 2.010 9.182 1.00 0.92 H new ATOM 0 HG3 LYS A 21 7.162 2.958 7.748 1.00 0.92 H new ATOM 0 HD2 LYS A 21 6.534 5.044 8.918 1.00 0.97 H new ATOM 0 HD3 LYS A 21 6.023 4.140 10.329 1.00 0.97 H new ATOM 0 HE2 LYS A 21 8.327 3.286 10.669 1.00 1.83 H new ATOM 0 HE3 LYS A 21 8.864 4.064 9.192 1.00 1.83 H new ATOM 0 HZ1 LYS A 21 9.465 5.345 11.125 1.00 2.94 H new ATOM 0 HZ2 LYS A 21 8.360 6.213 10.173 1.00 2.94 H new ATOM 0 HZ3 LYS A 21 7.840 5.460 11.604 1.00 2.94 H new ATOM 296 N VAL A 22 2.879 2.769 5.868 1.00 0.33 N ATOM 297 CA VAL A 22 2.227 2.271 4.674 1.00 0.36 C ATOM 298 C VAL A 22 2.068 3.361 3.628 1.00 0.34 C ATOM 299 O VAL A 22 2.612 3.228 2.537 1.00 0.41 O ATOM 300 CB VAL A 22 0.845 1.749 5.061 1.00 0.46 C ATOM 301 CG1 VAL A 22 -0.085 1.536 3.869 1.00 0.58 C ATOM 302 CG2 VAL A 22 0.945 0.392 5.759 1.00 0.45 C ATOM 0 H VAL A 22 2.314 2.649 6.709 1.00 0.33 H new ATOM 0 HA VAL A 22 2.842 1.480 4.246 1.00 0.36 H new ATOM 0 HB VAL A 22 0.437 2.522 5.713 1.00 0.46 H new ATOM 0 HG11 VAL A 22 -1.048 1.165 4.220 1.00 0.58 H new ATOM 0 HG12 VAL A 22 -0.230 2.482 3.347 1.00 0.58 H new ATOM 0 HG13 VAL A 22 0.357 0.809 3.188 1.00 0.58 H new ATOM 0 HG21 VAL A 22 -0.054 0.044 6.023 1.00 0.45 H new ATOM 0 HG22 VAL A 22 1.414 -0.328 5.089 1.00 0.45 H new ATOM 0 HG23 VAL A 22 1.546 0.491 6.663 1.00 0.45 H new ATOM 312 N GLU A 23 1.300 4.416 3.931 1.00 0.31 N ATOM 313 CA GLU A 23 0.984 5.415 2.922 1.00 0.32 C ATOM 314 C GLU A 23 2.318 5.930 2.416 1.00 0.32 C ATOM 315 O GLU A 23 2.547 5.975 1.224 1.00 0.41 O ATOM 316 CB GLU A 23 0.061 6.550 3.419 1.00 0.39 C ATOM 317 CG GLU A 23 0.761 7.420 4.462 1.00 0.44 C ATOM 318 CD GLU A 23 0.032 8.684 4.894 1.00 0.70 C ATOM 319 OE1 GLU A 23 -0.958 8.559 5.640 1.00 1.52 O ATOM 320 OE2 GLU A 23 0.534 9.766 4.493 1.00 2.07 O ATOM 0 H GLU A 23 0.896 4.592 4.851 1.00 0.31 H new ATOM 0 HA GLU A 23 0.399 4.961 2.123 1.00 0.32 H new ATOM 0 HB2 GLU A 23 -0.246 7.167 2.575 1.00 0.39 H new ATOM 0 HB3 GLU A 23 -0.845 6.123 3.848 1.00 0.39 H new ATOM 0 HG2 GLU A 23 0.942 6.811 5.348 1.00 0.44 H new ATOM 0 HG3 GLU A 23 1.736 7.707 4.068 1.00 0.44 H new ATOM 327 N ASN A 24 3.236 6.252 3.321 1.00 0.28 N ATOM 328 CA ASN A 24 4.486 6.895 2.989 1.00 0.26 C ATOM 329 C ASN A 24 5.341 5.951 2.130 1.00 0.26 C ATOM 330 O ASN A 24 5.971 6.394 1.168 1.00 0.31 O ATOM 331 CB ASN A 24 5.164 7.333 4.290 1.00 0.29 C ATOM 332 CG ASN A 24 4.534 8.603 4.886 1.00 0.34 C ATOM 333 OD1 ASN A 24 4.998 9.712 4.645 1.00 0.49 O ATOM 334 ND2 ASN A 24 3.467 8.444 5.666 1.00 0.33 N ATOM 0 H ASN A 24 3.124 6.068 4.318 1.00 0.28 H new ATOM 0 HA ASN A 24 4.331 7.790 2.387 1.00 0.26 H new ATOM 0 HB2 ASN A 24 5.101 6.524 5.018 1.00 0.29 H new ATOM 0 HB3 ASN A 24 6.223 7.511 4.102 1.00 0.29 H new ATOM 0 HD21 ASN A 24 3.013 9.258 6.081 1.00 0.33 H new ATOM 0 HD22 ASN A 24 3.104 7.509 5.848 1.00 0.33 H new ATOM 341 N ALA A 25 5.304 4.643 2.422 1.00 0.28 N ATOM 342 CA ALA A 25 5.894 3.609 1.571 1.00 0.31 C ATOM 343 C ALA A 25 5.329 3.620 0.144 1.00 0.30 C ATOM 344 O ALA A 25 5.989 3.144 -0.777 1.00 0.33 O ATOM 345 CB ALA A 25 5.749 2.235 2.234 1.00 0.42 C ATOM 0 H ALA A 25 4.860 4.274 3.263 1.00 0.28 H new ATOM 0 HA ALA A 25 6.956 3.833 1.467 1.00 0.31 H new ATOM 0 HB1 ALA A 25 6.191 1.473 1.592 1.00 0.42 H new ATOM 0 HB2 ALA A 25 6.260 2.240 3.197 1.00 0.42 H new ATOM 0 HB3 ALA A 25 4.692 2.014 2.385 1.00 0.42 H new ATOM 351 N VAL A 26 4.136 4.183 -0.054 1.00 0.32 N ATOM 352 CA VAL A 26 3.528 4.417 -1.357 1.00 0.36 C ATOM 353 C VAL A 26 3.888 5.824 -1.872 1.00 0.33 C ATOM 354 O VAL A 26 4.332 5.995 -3.002 1.00 0.37 O ATOM 355 CB VAL A 26 2.004 4.202 -1.242 1.00 0.45 C ATOM 356 CG1 VAL A 26 1.328 4.366 -2.592 1.00 1.42 C ATOM 357 CG2 VAL A 26 1.662 2.811 -0.702 1.00 1.69 C ATOM 0 H VAL A 26 3.549 4.498 0.718 1.00 0.32 H new ATOM 0 HA VAL A 26 3.916 3.709 -2.090 1.00 0.36 H new ATOM 0 HB VAL A 26 1.640 4.957 -0.545 1.00 0.45 H new ATOM 0 HG11 VAL A 26 0.255 4.209 -2.483 1.00 1.42 H new ATOM 0 HG12 VAL A 26 1.511 5.371 -2.971 1.00 1.42 H new ATOM 0 HG13 VAL A 26 1.732 3.635 -3.292 1.00 1.42 H new ATOM 0 HG21 VAL A 26 0.579 2.702 -0.637 1.00 1.69 H new ATOM 0 HG22 VAL A 26 2.064 2.051 -1.373 1.00 1.69 H new ATOM 0 HG23 VAL A 26 2.099 2.688 0.289 1.00 1.69 H new ATOM 367 N ARG A 27 3.701 6.865 -1.062 1.00 0.29 N ATOM 368 CA ARG A 27 3.836 8.255 -1.484 1.00 0.32 C ATOM 369 C ARG A 27 5.254 8.550 -1.968 1.00 0.30 C ATOM 370 O ARG A 27 5.458 9.434 -2.794 1.00 0.36 O ATOM 371 CB ARG A 27 3.439 9.209 -0.349 1.00 0.35 C ATOM 372 CG ARG A 27 2.042 8.866 0.196 1.00 0.53 C ATOM 373 CD ARG A 27 1.195 10.038 0.689 1.00 0.91 C ATOM 374 NE ARG A 27 1.489 10.402 2.080 1.00 1.23 N ATOM 375 CZ ARG A 27 2.237 11.421 2.512 1.00 1.41 C ATOM 376 NH1 ARG A 27 2.944 12.163 1.653 1.00 2.75 N ATOM 377 NH2 ARG A 27 2.235 11.671 3.821 1.00 2.35 N ATOM 0 H ARG A 27 3.448 6.763 -0.079 1.00 0.29 H new ATOM 0 HA ARG A 27 3.157 8.417 -2.321 1.00 0.32 H new ATOM 0 HB2 ARG A 27 4.172 9.148 0.455 1.00 0.35 H new ATOM 0 HB3 ARG A 27 3.449 10.237 -0.712 1.00 0.35 H new ATOM 0 HG2 ARG A 27 1.487 8.350 -0.588 1.00 0.53 H new ATOM 0 HG3 ARG A 27 2.161 8.161 1.019 1.00 0.53 H new ATOM 0 HD2 ARG A 27 1.368 10.902 0.047 1.00 0.91 H new ATOM 0 HD3 ARG A 27 0.139 9.781 0.600 1.00 0.91 H new ATOM 0 HE ARG A 27 1.075 9.809 2.799 1.00 1.23 H new ATOM 0 HH11 ARG A 27 2.916 11.954 0.655 1.00 2.75 H new ATOM 0 HH12 ARG A 27 3.511 12.938 1.996 1.00 2.75 H new ATOM 0 HH21 ARG A 27 1.677 11.094 4.450 1.00 2.35 H new ATOM 0 HH22 ARG A 27 2.792 12.440 4.194 1.00 2.35 H new ATOM 391 N GLN A 28 6.227 7.794 -1.458 1.00 0.28 N ATOM 392 CA GLN A 28 7.616 7.884 -1.867 1.00 0.31 C ATOM 393 C GLN A 28 7.847 7.537 -3.345 1.00 0.32 C ATOM 394 O GLN A 28 8.958 7.748 -3.825 1.00 0.37 O ATOM 395 CB GLN A 28 8.480 7.045 -0.925 1.00 0.37 C ATOM 396 CG GLN A 28 8.260 5.542 -1.129 1.00 0.42 C ATOM 397 CD GLN A 28 9.077 4.709 -0.146 1.00 0.56 C ATOM 398 OE1 GLN A 28 9.059 5.073 1.133 1.00 0.78 O flip ATOM 399 NE2 GLN A 28 9.747 3.754 -0.527 1.00 0.62 N flip ATOM 0 H GLN A 28 6.062 7.092 -0.737 1.00 0.28 H new ATOM 0 HA GLN A 28 7.918 8.928 -1.787 1.00 0.31 H new ATOM 0 HB2 GLN A 28 9.531 7.283 -1.089 1.00 0.37 H new ATOM 0 HB3 GLN A 28 8.251 7.308 0.108 1.00 0.37 H new ATOM 0 HG2 GLN A 28 7.202 5.310 -1.009 1.00 0.42 H new ATOM 0 HG3 GLN A 28 8.532 5.270 -2.149 1.00 0.42 H new ATOM 0 HE21 GLN A 28 9.747 3.492 -1.513 1.00 0.62 H new ATOM 0 HE22 GLN A 28 10.304 3.223 0.142 1.00 0.62 H new ATOM 408 N LEU A 29 6.872 6.922 -4.033 1.00 0.31 N ATOM 409 CA LEU A 29 6.978 6.608 -5.449 1.00 0.36 C ATOM 410 C LEU A 29 6.933 7.909 -6.265 1.00 0.45 C ATOM 411 O LEU A 29 7.790 8.774 -6.117 1.00 0.62 O ATOM 412 CB LEU A 29 5.886 5.596 -5.831 1.00 0.35 C ATOM 413 CG LEU A 29 5.859 4.266 -5.045 1.00 0.39 C ATOM 414 CD1 LEU A 29 5.686 3.114 -6.015 1.00 0.47 C ATOM 415 CD2 LEU A 29 7.044 3.921 -4.133 1.00 0.51 C ATOM 0 H LEU A 29 5.989 6.632 -3.613 1.00 0.31 H new ATOM 0 HA LEU A 29 7.932 6.133 -5.677 1.00 0.36 H new ATOM 0 HB2 LEU A 29 4.917 6.081 -5.711 1.00 0.35 H new ATOM 0 HB3 LEU A 29 5.996 5.362 -6.890 1.00 0.35 H new ATOM 0 HG LEU A 29 5.025 4.419 -4.360 1.00 0.39 H new ATOM 0 HD11 LEU A 29 5.667 2.174 -5.464 1.00 0.47 H new ATOM 0 HD12 LEU A 29 4.750 3.235 -6.560 1.00 0.47 H new ATOM 0 HD13 LEU A 29 6.517 3.104 -6.720 1.00 0.47 H new ATOM 0 HD21 LEU A 29 6.868 2.957 -3.656 1.00 0.51 H new ATOM 0 HD22 LEU A 29 7.957 3.871 -4.726 1.00 0.51 H new ATOM 0 HD23 LEU A 29 7.150 4.690 -3.368 1.00 0.51 H new ATOM 427 N ALA A 30 5.947 8.055 -7.149 1.00 0.43 N ATOM 428 CA ALA A 30 5.836 9.214 -8.032 1.00 0.45 C ATOM 429 C ALA A 30 4.532 9.129 -8.809 1.00 0.46 C ATOM 430 O ALA A 30 3.773 10.088 -8.881 1.00 0.47 O ATOM 431 CB ALA A 30 7.014 9.260 -9.017 1.00 0.48 C ATOM 0 H ALA A 30 5.201 7.371 -7.273 1.00 0.43 H new ATOM 0 HA ALA A 30 5.853 10.120 -7.426 1.00 0.45 H new ATOM 0 HB1 ALA A 30 6.912 10.130 -9.665 1.00 0.48 H new ATOM 0 HB2 ALA A 30 7.950 9.328 -8.462 1.00 0.48 H new ATOM 0 HB3 ALA A 30 7.017 8.354 -9.623 1.00 0.48 H new ATOM 437 N GLY A 31 4.287 7.956 -9.394 1.00 0.46 N ATOM 438 CA GLY A 31 3.102 7.734 -10.217 1.00 0.50 C ATOM 439 C GLY A 31 1.829 7.633 -9.374 1.00 0.45 C ATOM 440 O GLY A 31 0.722 7.835 -9.877 1.00 0.60 O ATOM 0 H GLY A 31 4.897 7.143 -9.311 1.00 0.46 H new ATOM 0 HA2 GLY A 31 2.999 8.550 -10.932 1.00 0.50 H new ATOM 0 HA3 GLY A 31 3.228 6.818 -10.794 1.00 0.50 H new ATOM 444 N VAL A 32 1.987 7.303 -8.087 1.00 0.34 N ATOM 445 CA VAL A 32 0.927 7.402 -7.096 1.00 0.30 C ATOM 446 C VAL A 32 0.353 8.816 -7.122 1.00 0.31 C ATOM 447 O VAL A 32 1.108 9.778 -6.998 1.00 0.38 O ATOM 448 CB VAL A 32 1.517 7.084 -5.715 1.00 0.28 C ATOM 449 CG1 VAL A 32 0.490 7.318 -4.593 1.00 0.39 C ATOM 450 CG2 VAL A 32 2.030 5.635 -5.702 1.00 0.28 C ATOM 0 H VAL A 32 2.868 6.956 -7.707 1.00 0.34 H new ATOM 0 HA VAL A 32 0.127 6.695 -7.315 1.00 0.30 H new ATOM 0 HB VAL A 32 2.350 7.761 -5.527 1.00 0.28 H new ATOM 0 HG11 VAL A 32 0.943 7.083 -3.630 1.00 0.39 H new ATOM 0 HG12 VAL A 32 0.175 8.361 -4.600 1.00 0.39 H new ATOM 0 HG13 VAL A 32 -0.376 6.676 -4.753 1.00 0.39 H new ATOM 0 HG21 VAL A 32 2.450 5.406 -4.722 1.00 0.28 H new ATOM 0 HG22 VAL A 32 1.204 4.955 -5.911 1.00 0.28 H new ATOM 0 HG23 VAL A 32 2.800 5.515 -6.464 1.00 0.28 H new ATOM 460 N ASN A 33 -0.973 8.942 -7.231 1.00 0.37 N ATOM 461 CA ASN A 33 -1.644 10.236 -7.115 1.00 0.47 C ATOM 462 C ASN A 33 -2.868 10.207 -6.206 1.00 0.65 C ATOM 463 O ASN A 33 -3.447 11.260 -5.957 1.00 1.37 O ATOM 464 CB ASN A 33 -1.954 10.845 -8.486 1.00 1.18 C ATOM 465 CG ASN A 33 -3.080 10.153 -9.240 1.00 1.09 C ATOM 466 OD1 ASN A 33 -4.153 10.721 -9.426 1.00 2.57 O ATOM 467 ND2 ASN A 33 -2.799 8.949 -9.710 1.00 0.89 N ATOM 0 H ASN A 33 -1.604 8.158 -7.400 1.00 0.37 H new ATOM 0 HA ASN A 33 -0.931 10.897 -6.621 1.00 0.47 H new ATOM 0 HB2 ASN A 33 -2.213 11.895 -8.353 1.00 1.18 H new ATOM 0 HB3 ASN A 33 -1.051 10.814 -9.096 1.00 1.18 H new ATOM 0 HD21 ASN A 33 -3.492 8.442 -10.260 1.00 0.89 H new ATOM 0 HD22 ASN A 33 -1.889 8.528 -9.523 1.00 0.89 H new ATOM 474 N GLN A 34 -3.259 9.052 -5.667 1.00 0.38 N ATOM 475 CA GLN A 34 -4.154 8.943 -4.534 1.00 0.44 C ATOM 476 C GLN A 34 -3.832 7.597 -3.883 1.00 0.45 C ATOM 477 O GLN A 34 -3.198 6.736 -4.490 1.00 1.06 O ATOM 478 CB GLN A 34 -5.622 9.044 -4.992 1.00 0.63 C ATOM 479 CG GLN A 34 -6.254 10.431 -4.789 1.00 1.44 C ATOM 480 CD GLN A 34 -6.823 11.007 -6.087 1.00 1.18 C ATOM 481 OE1 GLN A 34 -8.017 11.271 -6.178 1.00 1.31 O ATOM 482 NE2 GLN A 34 -5.985 11.204 -7.101 1.00 1.50 N ATOM 0 H GLN A 34 -2.949 8.147 -6.022 1.00 0.38 H new ATOM 0 HA GLN A 34 -4.018 9.753 -3.817 1.00 0.44 H new ATOM 0 HB2 GLN A 34 -5.680 8.783 -6.049 1.00 0.63 H new ATOM 0 HB3 GLN A 34 -6.212 8.306 -4.448 1.00 0.63 H new ATOM 0 HG2 GLN A 34 -7.049 10.360 -4.047 1.00 1.44 H new ATOM 0 HG3 GLN A 34 -5.505 11.114 -4.389 1.00 1.44 H new ATOM 0 HE21 GLN A 34 -4.996 10.975 -6.997 1.00 1.50 H new ATOM 0 HE22 GLN A 34 -6.331 11.584 -7.982 1.00 1.50 H new ATOM 491 N VAL A 35 -4.211 7.428 -2.624 1.00 0.38 N ATOM 492 CA VAL A 35 -4.071 6.175 -1.900 1.00 0.38 C ATOM 493 C VAL A 35 -5.083 6.175 -0.757 1.00 0.31 C ATOM 494 O VAL A 35 -5.232 7.196 -0.089 1.00 0.37 O ATOM 495 CB VAL A 35 -2.610 5.964 -1.441 1.00 0.52 C ATOM 496 CG1 VAL A 35 -1.959 7.227 -0.858 1.00 1.18 C ATOM 497 CG2 VAL A 35 -2.494 4.835 -0.410 1.00 1.45 C ATOM 0 H VAL A 35 -4.632 8.172 -2.068 1.00 0.38 H new ATOM 0 HA VAL A 35 -4.289 5.323 -2.543 1.00 0.38 H new ATOM 0 HB VAL A 35 -2.073 5.696 -2.351 1.00 0.52 H new ATOM 0 HG11 VAL A 35 -0.935 7.003 -0.558 1.00 1.18 H new ATOM 0 HG12 VAL A 35 -1.952 8.014 -1.612 1.00 1.18 H new ATOM 0 HG13 VAL A 35 -2.527 7.561 0.010 1.00 1.18 H new ATOM 0 HG21 VAL A 35 -1.452 4.719 -0.113 1.00 1.45 H new ATOM 0 HG22 VAL A 35 -3.096 5.079 0.466 1.00 1.45 H new ATOM 0 HG23 VAL A 35 -2.852 3.904 -0.848 1.00 1.45 H new ATOM 507 N GLN A 36 -5.781 5.057 -0.537 1.00 0.40 N ATOM 508 CA GLN A 36 -6.630 4.840 0.611 1.00 0.41 C ATOM 509 C GLN A 36 -6.159 3.552 1.304 1.00 0.29 C ATOM 510 O GLN A 36 -6.288 2.440 0.787 1.00 0.42 O ATOM 511 CB GLN A 36 -8.104 4.842 0.176 1.00 0.78 C ATOM 512 CG GLN A 36 -8.411 3.680 -0.765 1.00 1.44 C ATOM 513 CD GLN A 36 -9.728 3.804 -1.508 1.00 1.71 C ATOM 514 OE1 GLN A 36 -10.586 2.928 -1.365 1.00 2.50 O ATOM 515 NE2 GLN A 36 -9.854 4.853 -2.319 1.00 1.72 N ATOM 0 H GLN A 36 -5.762 4.263 -1.177 1.00 0.40 H new ATOM 0 HA GLN A 36 -6.554 5.643 1.344 1.00 0.41 H new ATOM 0 HB2 GLN A 36 -8.744 4.778 1.056 1.00 0.78 H new ATOM 0 HB3 GLN A 36 -8.337 5.784 -0.320 1.00 0.78 H new ATOM 0 HG2 GLN A 36 -7.604 3.595 -1.493 1.00 1.44 H new ATOM 0 HG3 GLN A 36 -8.419 2.755 -0.189 1.00 1.44 H new ATOM 0 HE21 GLN A 36 -9.102 5.539 -2.386 1.00 1.72 H new ATOM 0 HE22 GLN A 36 -10.703 4.971 -2.873 1.00 1.72 H new ATOM 524 N VAL A 37 -5.593 3.734 2.490 1.00 0.22 N ATOM 525 CA VAL A 37 -5.253 2.702 3.447 1.00 0.26 C ATOM 526 C VAL A 37 -6.431 2.638 4.415 1.00 0.30 C ATOM 527 O VAL A 37 -6.745 3.649 5.042 1.00 0.47 O ATOM 528 CB VAL A 37 -3.989 3.138 4.212 1.00 0.33 C ATOM 529 CG1 VAL A 37 -3.537 2.027 5.166 1.00 2.15 C ATOM 530 CG2 VAL A 37 -2.856 3.551 3.266 1.00 1.94 C ATOM 0 H VAL A 37 -5.346 4.665 2.825 1.00 0.22 H new ATOM 0 HA VAL A 37 -5.065 1.739 2.972 1.00 0.26 H new ATOM 0 HB VAL A 37 -4.244 4.020 4.799 1.00 0.33 H new ATOM 0 HG11 VAL A 37 -2.643 2.348 5.700 1.00 2.15 H new ATOM 0 HG12 VAL A 37 -4.332 1.816 5.882 1.00 2.15 H new ATOM 0 HG13 VAL A 37 -3.315 1.125 4.595 1.00 2.15 H new ATOM 0 HG21 VAL A 37 -1.986 3.850 3.850 1.00 1.94 H new ATOM 0 HG22 VAL A 37 -2.592 2.709 2.626 1.00 1.94 H new ATOM 0 HG23 VAL A 37 -3.184 4.387 2.649 1.00 1.94 H new ATOM 540 N LEU A 38 -7.105 1.491 4.524 1.00 0.29 N ATOM 541 CA LEU A 38 -8.208 1.316 5.442 1.00 0.31 C ATOM 542 C LEU A 38 -7.844 0.196 6.417 1.00 0.33 C ATOM 543 O LEU A 38 -7.768 -0.971 6.023 1.00 0.41 O ATOM 544 CB LEU A 38 -9.474 1.033 4.628 1.00 0.33 C ATOM 545 CG LEU A 38 -10.641 0.594 5.510 1.00 0.35 C ATOM 546 CD1 LEU A 38 -11.030 1.643 6.561 1.00 0.39 C ATOM 547 CD2 LEU A 38 -11.864 0.261 4.651 1.00 0.41 C ATOM 0 H LEU A 38 -6.892 0.661 3.971 1.00 0.29 H new ATOM 0 HA LEU A 38 -8.404 2.209 6.035 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -9.756 1.929 4.075 1.00 0.33 H new ATOM 0 HB3 LEU A 38 -9.265 0.257 3.892 1.00 0.33 H new ATOM 0 HG LEU A 38 -10.302 -0.293 6.045 1.00 0.35 H new ATOM 0 HD11 LEU A 38 -11.865 1.271 7.155 1.00 0.39 H new ATOM 0 HD12 LEU A 38 -10.179 1.838 7.213 1.00 0.39 H new ATOM 0 HD13 LEU A 38 -11.323 2.567 6.062 1.00 0.39 H new ATOM 0 HD21 LEU A 38 -12.687 -0.050 5.295 1.00 0.41 H new ATOM 0 HD22 LEU A 38 -12.161 1.143 4.083 1.00 0.41 H new ATOM 0 HD23 LEU A 38 -11.616 -0.547 3.963 1.00 0.41 H new ATOM 559 N PHE A 39 -7.637 0.577 7.683 1.00 0.60 N ATOM 560 CA PHE A 39 -7.429 -0.349 8.784 1.00 0.74 C ATOM 561 C PHE A 39 -8.633 -1.254 8.994 1.00 0.94 C ATOM 562 O PHE A 39 -9.750 -0.936 8.580 1.00 1.53 O ATOM 563 CB PHE A 39 -7.201 0.412 10.099 1.00 1.21 C ATOM 564 CG PHE A 39 -5.901 1.171 10.216 1.00 0.61 C ATOM 565 CD1 PHE A 39 -4.702 0.497 9.941 1.00 1.64 C ATOM 566 CD2 PHE A 39 -5.868 2.384 10.928 1.00 1.72 C ATOM 567 CE1 PHE A 39 -3.482 1.010 10.393 1.00 2.19 C ATOM 568 CE2 PHE A 39 -4.645 2.898 11.385 1.00 2.16 C ATOM 569 CZ PHE A 39 -3.451 2.204 11.128 1.00 2.05 C ATOM 0 H PHE A 39 -7.610 1.556 7.968 1.00 0.60 H new ATOM 0 HA PHE A 39 -6.556 -0.946 8.521 1.00 0.74 H new ATOM 0 HB2 PHE A 39 -8.022 1.117 10.233 1.00 1.21 H new ATOM 0 HB3 PHE A 39 -7.256 -0.302 10.921 1.00 1.21 H new ATOM 0 HD1 PHE A 39 -4.721 -0.424 9.377 1.00 1.64 H new ATOM 0 HD2 PHE A 39 -6.785 2.920 11.123 1.00 1.72 H new ATOM 0 HE1 PHE A 39 -2.563 0.486 10.176 1.00 2.19 H new ATOM 0 HE2 PHE A 39 -4.622 3.827 11.935 1.00 2.16 H new ATOM 0 HZ PHE A 39 -2.511 2.589 11.496 1.00 2.05 H new ATOM 579 N ALA A 40 -8.390 -2.383 9.656 1.00 0.92 N ATOM 580 CA ALA A 40 -9.335 -3.393 10.101 1.00 1.10 C ATOM 581 C ALA A 40 -9.811 -4.248 8.924 1.00 0.89 C ATOM 582 O ALA A 40 -9.917 -5.467 9.017 1.00 1.10 O ATOM 583 CB ALA A 40 -10.496 -2.780 10.895 1.00 1.42 C ATOM 0 H ALA A 40 -7.436 -2.633 9.916 1.00 0.92 H new ATOM 0 HA ALA A 40 -8.818 -4.058 10.793 1.00 1.10 H new ATOM 0 HB1 ALA A 40 -11.179 -3.569 11.209 1.00 1.42 H new ATOM 0 HB2 ALA A 40 -10.105 -2.268 11.774 1.00 1.42 H new ATOM 0 HB3 ALA A 40 -11.030 -2.067 10.267 1.00 1.42 H new ATOM 589 N THR A 41 -10.090 -3.592 7.795 1.00 0.60 N ATOM 590 CA THR A 41 -10.240 -4.231 6.499 1.00 0.47 C ATOM 591 C THR A 41 -8.872 -4.703 5.980 1.00 0.46 C ATOM 592 O THR A 41 -8.820 -5.571 5.111 1.00 0.75 O ATOM 593 CB THR A 41 -10.911 -3.247 5.528 1.00 0.54 C ATOM 594 OG1 THR A 41 -12.044 -2.647 6.130 1.00 0.77 O ATOM 595 CG2 THR A 41 -11.407 -3.943 4.257 1.00 1.12 C ATOM 0 H THR A 41 -10.219 -2.581 7.763 1.00 0.60 H new ATOM 0 HA THR A 41 -10.875 -5.113 6.587 1.00 0.47 H new ATOM 0 HB THR A 41 -10.152 -2.506 5.277 1.00 0.54 H new ATOM 0 HG1 THR A 41 -12.631 -2.285 5.434 1.00 0.77 H new ATOM 0 HG21 THR A 41 -11.874 -3.210 3.599 1.00 1.12 H new ATOM 0 HG22 THR A 41 -10.565 -4.406 3.743 1.00 1.12 H new ATOM 0 HG23 THR A 41 -12.136 -4.709 4.522 1.00 1.12 H new ATOM 603 N GLU A 42 -7.770 -4.111 6.466 1.00 0.43 N ATOM 604 CA GLU A 42 -6.417 -4.337 5.973 1.00 0.65 C ATOM 605 C GLU A 42 -6.352 -4.233 4.449 1.00 0.62 C ATOM 606 O GLU A 42 -5.667 -5.004 3.770 1.00 0.80 O ATOM 607 CB GLU A 42 -5.831 -5.625 6.570 1.00 0.94 C ATOM 608 CG GLU A 42 -5.096 -5.334 7.885 1.00 2.00 C ATOM 609 CD GLU A 42 -5.987 -4.646 8.913 1.00 2.79 C ATOM 610 OE1 GLU A 42 -6.136 -3.408 8.806 1.00 3.97 O ATOM 611 OE2 GLU A 42 -6.548 -5.365 9.764 1.00 3.03 O ATOM 0 H GLU A 42 -7.805 -3.443 7.236 1.00 0.43 H new ATOM 0 HA GLU A 42 -5.763 -3.538 6.323 1.00 0.65 H new ATOM 0 HB2 GLU A 42 -6.630 -6.345 6.747 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -5.143 -6.081 5.858 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -4.721 -6.269 8.302 1.00 2.00 H new ATOM 0 HG3 GLU A 42 -4.229 -4.705 7.681 1.00 2.00 H new ATOM 618 N LYS A 43 -7.048 -3.214 3.933 1.00 0.51 N ATOM 619 CA LYS A 43 -7.084 -2.892 2.526 1.00 0.65 C ATOM 620 C LYS A 43 -6.053 -1.792 2.285 1.00 0.48 C ATOM 621 O LYS A 43 -6.127 -0.709 2.870 1.00 0.59 O ATOM 622 CB LYS A 43 -8.526 -2.536 2.117 1.00 1.00 C ATOM 623 CG LYS A 43 -8.654 -1.822 0.763 1.00 1.37 C ATOM 624 CD LYS A 43 -8.756 -0.296 0.948 1.00 1.18 C ATOM 625 CE LYS A 43 -10.195 0.188 1.213 1.00 0.74 C ATOM 626 NZ LYS A 43 -10.943 0.525 -0.022 1.00 1.44 N ATOM 0 H LYS A 43 -7.610 -2.584 4.505 1.00 0.51 H new ATOM 0 HA LYS A 43 -6.812 -3.734 1.889 1.00 0.65 H new ATOM 0 HB2 LYS A 43 -9.117 -3.452 2.086 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -8.962 -1.902 2.889 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -7.791 -2.059 0.140 1.00 1.37 H new ATOM 0 HG3 LYS A 43 -9.536 -2.188 0.238 1.00 1.37 H new ATOM 0 HD2 LYS A 43 -8.119 0.006 1.779 1.00 1.18 H new ATOM 0 HD3 LYS A 43 -8.372 0.198 0.056 1.00 1.18 H new ATOM 0 HE2 LYS A 43 -10.736 -0.587 1.756 1.00 0.74 H new ATOM 0 HE3 LYS A 43 -10.162 1.065 1.859 1.00 0.74 H new ATOM 0 HZ1 LYS A 43 -11.948 0.662 0.207 1.00 1.44 H new ATOM 0 HZ2 LYS A 43 -10.559 1.400 -0.432 1.00 1.44 H new ATOM 0 HZ3 LYS A 43 -10.847 -0.250 -0.708 1.00 1.44 H new ATOM 640 N LEU A 44 -5.119 -2.091 1.385 1.00 0.35 N ATOM 641 CA LEU A 44 -4.268 -1.130 0.706 1.00 0.40 C ATOM 642 C LEU A 44 -4.958 -0.934 -0.620 1.00 0.36 C ATOM 643 O LEU A 44 -5.114 -1.915 -1.346 1.00 0.49 O ATOM 644 CB LEU A 44 -2.873 -1.741 0.466 1.00 0.42 C ATOM 645 CG LEU A 44 -1.699 -1.035 1.155 1.00 0.63 C ATOM 646 CD1 LEU A 44 -1.079 0.125 0.379 1.00 0.58 C ATOM 647 CD2 LEU A 44 -2.073 -0.552 2.544 1.00 1.55 C ATOM 0 H LEU A 44 -4.930 -3.052 1.100 1.00 0.35 H new ATOM 0 HA LEU A 44 -4.130 -0.208 1.270 1.00 0.40 H new ATOM 0 HB2 LEU A 44 -2.892 -2.779 0.798 1.00 0.42 H new ATOM 0 HB3 LEU A 44 -2.684 -1.753 -0.607 1.00 0.42 H new ATOM 0 HG LEU A 44 -0.936 -1.812 1.208 1.00 0.63 H new ATOM 0 HD11 LEU A 44 -0.259 0.552 0.956 1.00 0.58 H new ATOM 0 HD12 LEU A 44 -0.700 -0.238 -0.576 1.00 0.58 H new ATOM 0 HD13 LEU A 44 -1.835 0.890 0.202 1.00 0.58 H new ATOM 0 HD21 LEU A 44 -1.216 -0.057 3.000 1.00 1.55 H new ATOM 0 HD22 LEU A 44 -2.903 0.151 2.474 1.00 1.55 H new ATOM 0 HD23 LEU A 44 -2.370 -1.403 3.157 1.00 1.55 H new ATOM 659 N VAL A 45 -5.391 0.292 -0.917 1.00 0.24 N ATOM 660 CA VAL A 45 -5.693 0.675 -2.281 1.00 0.24 C ATOM 661 C VAL A 45 -4.840 1.861 -2.648 1.00 0.28 C ATOM 662 O VAL A 45 -5.003 2.938 -2.092 1.00 0.70 O ATOM 663 CB VAL A 45 -7.182 0.923 -2.513 1.00 0.32 C ATOM 664 CG1 VAL A 45 -7.477 1.748 -3.772 1.00 0.68 C ATOM 665 CG2 VAL A 45 -7.795 -0.450 -2.700 1.00 0.62 C ATOM 0 H VAL A 45 -5.538 1.029 -0.228 1.00 0.24 H new ATOM 0 HA VAL A 45 -5.450 -0.156 -2.943 1.00 0.24 H new ATOM 0 HB VAL A 45 -7.584 1.487 -1.671 1.00 0.32 H new ATOM 0 HG11 VAL A 45 -8.554 1.885 -3.873 1.00 0.68 H new ATOM 0 HG12 VAL A 45 -6.994 2.722 -3.691 1.00 0.68 H new ATOM 0 HG13 VAL A 45 -7.094 1.225 -4.648 1.00 0.68 H new ATOM 0 HG21 VAL A 45 -8.867 -0.350 -2.872 1.00 0.62 H new ATOM 0 HG22 VAL A 45 -7.334 -0.940 -3.558 1.00 0.62 H new ATOM 0 HG23 VAL A 45 -7.626 -1.049 -1.805 1.00 0.62 H new ATOM 675 N VAL A 46 -3.937 1.650 -3.589 1.00 0.36 N ATOM 676 CA VAL A 46 -3.124 2.701 -4.152 1.00 0.31 C ATOM 677 C VAL A 46 -3.701 3.065 -5.514 1.00 0.29 C ATOM 678 O VAL A 46 -4.041 2.172 -6.288 1.00 0.36 O ATOM 679 CB VAL A 46 -1.684 2.197 -4.195 1.00 0.37 C ATOM 680 CG1 VAL A 46 -0.785 3.188 -4.936 1.00 0.46 C ATOM 681 CG2 VAL A 46 -1.243 1.987 -2.737 1.00 0.36 C ATOM 0 H VAL A 46 -3.749 0.729 -3.986 1.00 0.36 H new ATOM 0 HA VAL A 46 -3.125 3.615 -3.558 1.00 0.31 H new ATOM 0 HB VAL A 46 -1.607 1.258 -4.744 1.00 0.37 H new ATOM 0 HG11 VAL A 46 0.237 2.809 -4.955 1.00 0.46 H new ATOM 0 HG12 VAL A 46 -1.145 3.312 -5.957 1.00 0.46 H new ATOM 0 HG13 VAL A 46 -0.805 4.150 -4.425 1.00 0.46 H new ATOM 0 HG21 VAL A 46 -0.215 1.625 -2.716 1.00 0.36 H new ATOM 0 HG22 VAL A 46 -1.306 2.932 -2.198 1.00 0.36 H new ATOM 0 HG23 VAL A 46 -1.895 1.254 -2.262 1.00 0.36 H new ATOM 691 N ASP A 47 -3.841 4.366 -5.779 1.00 0.37 N ATOM 692 CA ASP A 47 -4.327 4.897 -7.038 1.00 0.35 C ATOM 693 C ASP A 47 -3.160 5.607 -7.721 1.00 0.30 C ATOM 694 O ASP A 47 -2.691 6.658 -7.266 1.00 0.33 O ATOM 695 CB ASP A 47 -5.525 5.817 -6.804 1.00 0.46 C ATOM 696 CG ASP A 47 -6.463 5.788 -8.001 1.00 1.52 C ATOM 697 OD1 ASP A 47 -5.948 5.912 -9.132 1.00 3.03 O ATOM 698 OD2 ASP A 47 -7.675 5.601 -7.760 1.00 2.06 O ATOM 0 H ASP A 47 -3.611 5.092 -5.100 1.00 0.37 H new ATOM 0 HA ASP A 47 -4.686 4.101 -7.690 1.00 0.35 H new ATOM 0 HB2 ASP A 47 -6.061 5.505 -5.908 1.00 0.46 H new ATOM 0 HB3 ASP A 47 -5.180 6.836 -6.630 1.00 0.46 H new ATOM 703 N ALA A 48 -2.611 4.957 -8.745 1.00 0.38 N ATOM 704 CA ALA A 48 -1.377 5.358 -9.396 1.00 0.37 C ATOM 705 C ALA A 48 -1.535 5.310 -10.910 1.00 0.40 C ATOM 706 O ALA A 48 -2.032 4.326 -11.463 1.00 0.60 O ATOM 707 CB ALA A 48 -0.227 4.460 -8.926 1.00 0.42 C ATOM 0 H ALA A 48 -3.026 4.118 -9.151 1.00 0.38 H new ATOM 0 HA ALA A 48 -1.143 6.386 -9.121 1.00 0.37 H new ATOM 0 HB1 ALA A 48 0.697 4.765 -9.417 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -0.111 4.552 -7.846 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -0.448 3.423 -9.180 1.00 0.42 H new ATOM 713 N ASP A 49 -1.070 6.352 -11.602 1.00 0.34 N ATOM 714 CA ASP A 49 -1.200 6.425 -13.051 1.00 0.41 C ATOM 715 C ASP A 49 -0.013 5.681 -13.685 1.00 0.43 C ATOM 716 O ASP A 49 0.736 6.253 -14.472 1.00 0.54 O ATOM 717 CB ASP A 49 -1.312 7.898 -13.499 1.00 0.52 C ATOM 718 CG ASP A 49 -2.617 8.598 -13.105 1.00 0.79 C ATOM 719 OD1 ASP A 49 -3.290 8.111 -12.169 1.00 1.85 O ATOM 720 OD2 ASP A 49 -2.920 9.632 -13.746 1.00 1.72 O ATOM 0 H ASP A 49 -0.601 7.153 -11.180 1.00 0.34 H new ATOM 0 HA ASP A 49 -2.114 5.938 -13.390 1.00 0.41 H new ATOM 0 HB2 ASP A 49 -0.476 8.455 -13.076 1.00 0.52 H new ATOM 0 HB3 ASP A 49 -1.207 7.941 -14.583 1.00 0.52 H new ATOM 725 N ASN A 50 0.144 4.395 -13.338 1.00 0.41 N ATOM 726 CA ASN A 50 1.163 3.445 -13.805 1.00 0.52 C ATOM 727 C ASN A 50 1.117 2.199 -12.916 1.00 0.70 C ATOM 728 O ASN A 50 0.783 2.333 -11.741 1.00 1.82 O ATOM 729 CB ASN A 50 2.596 4.026 -13.829 1.00 0.51 C ATOM 730 CG ASN A 50 3.169 4.560 -12.509 1.00 0.47 C ATOM 731 OD1 ASN A 50 4.260 5.121 -12.503 1.00 1.28 O ATOM 732 ND2 ASN A 50 2.499 4.402 -11.370 1.00 0.60 N ATOM 0 H ASN A 50 -0.490 3.958 -12.669 1.00 0.41 H new ATOM 0 HA ASN A 50 0.925 3.200 -14.840 1.00 0.52 H new ATOM 0 HB2 ASN A 50 3.267 3.250 -14.197 1.00 0.51 H new ATOM 0 HB3 ASN A 50 2.617 4.837 -14.557 1.00 0.51 H new ATOM 0 HD21 ASN A 50 2.893 4.747 -10.495 1.00 0.60 H new ATOM 0 HD22 ASN A 50 1.592 3.936 -11.372 1.00 0.60 H new ATOM 739 N ASP A 51 1.469 1.010 -13.426 1.00 0.78 N ATOM 740 CA ASP A 51 1.546 -0.187 -12.588 1.00 0.71 C ATOM 741 C ASP A 51 2.802 -0.122 -11.728 1.00 0.59 C ATOM 742 O ASP A 51 3.903 -0.008 -12.267 1.00 0.68 O ATOM 743 CB ASP A 51 1.512 -1.473 -13.428 1.00 0.92 C ATOM 744 CG ASP A 51 1.429 -2.726 -12.557 1.00 2.15 C ATOM 745 OD1 ASP A 51 1.393 -2.599 -11.309 1.00 3.25 O ATOM 746 OD2 ASP A 51 1.332 -3.834 -13.131 1.00 2.86 O ATOM 0 H ASP A 51 1.702 0.856 -14.407 1.00 0.78 H new ATOM 0 HA ASP A 51 0.670 -0.215 -11.940 1.00 0.71 H new ATOM 0 HB2 ASP A 51 0.656 -1.443 -14.102 1.00 0.92 H new ATOM 0 HB3 ASP A 51 2.406 -1.523 -14.050 1.00 0.92 H new ATOM 751 N ILE A 52 2.639 -0.172 -10.402 1.00 0.50 N ATOM 752 CA ILE A 52 3.756 -0.100 -9.468 1.00 0.41 C ATOM 753 C ILE A 52 3.495 -1.031 -8.283 1.00 0.37 C ATOM 754 O ILE A 52 4.052 -0.848 -7.201 1.00 0.35 O ATOM 755 CB ILE A 52 4.032 1.366 -9.057 1.00 0.42 C ATOM 756 CG1 ILE A 52 2.771 2.177 -8.717 1.00 0.44 C ATOM 757 CG2 ILE A 52 4.801 2.108 -10.158 1.00 0.55 C ATOM 758 CD1 ILE A 52 1.985 1.612 -7.534 1.00 0.49 C ATOM 0 H ILE A 52 1.729 -0.263 -9.951 1.00 0.50 H new ATOM 0 HA ILE A 52 4.670 -0.449 -9.950 1.00 0.41 H new ATOM 0 HB ILE A 52 4.626 1.290 -8.146 1.00 0.42 H new ATOM 0 HG12 ILE A 52 3.058 3.205 -8.495 1.00 0.44 H new ATOM 0 HG13 ILE A 52 2.122 2.209 -9.592 1.00 0.44 H new ATOM 0 HG21 ILE A 52 4.983 3.136 -9.845 1.00 0.55 H new ATOM 0 HG22 ILE A 52 5.754 1.609 -10.336 1.00 0.55 H new ATOM 0 HG23 ILE A 52 4.214 2.107 -11.076 1.00 0.55 H new ATOM 0 HD11 ILE A 52 1.108 2.233 -7.350 1.00 0.49 H new ATOM 0 HD12 ILE A 52 1.667 0.594 -7.761 1.00 0.49 H new ATOM 0 HD13 ILE A 52 2.618 1.605 -6.647 1.00 0.49 H new ATOM 770 N ARG A 53 2.662 -2.059 -8.468 1.00 0.39 N ATOM 771 CA ARG A 53 2.230 -2.888 -7.348 1.00 0.41 C ATOM 772 C ARG A 53 3.395 -3.612 -6.712 1.00 0.37 C ATOM 773 O ARG A 53 3.508 -3.638 -5.492 1.00 0.40 O ATOM 774 CB ARG A 53 1.220 -3.928 -7.795 1.00 0.45 C ATOM 775 CG ARG A 53 0.027 -3.202 -8.386 1.00 0.56 C ATOM 776 CD ARG A 53 -1.112 -4.173 -8.690 1.00 0.63 C ATOM 777 NE ARG A 53 -0.666 -5.537 -9.021 1.00 0.73 N ATOM 778 CZ ARG A 53 -0.103 -5.902 -10.181 1.00 1.66 C ATOM 779 NH1 ARG A 53 0.259 -4.972 -11.070 1.00 2.72 N ATOM 780 NH2 ARG A 53 0.092 -7.202 -10.405 1.00 2.18 N ATOM 0 H ARG A 53 2.279 -2.332 -9.373 1.00 0.39 H new ATOM 0 HA ARG A 53 1.776 -2.213 -6.622 1.00 0.41 H new ATOM 0 HB2 ARG A 53 1.663 -4.596 -8.533 1.00 0.45 H new ATOM 0 HB3 ARG A 53 0.910 -4.545 -6.952 1.00 0.45 H new ATOM 0 HG2 ARG A 53 -0.319 -2.437 -7.690 1.00 0.56 H new ATOM 0 HG3 ARG A 53 0.326 -2.689 -9.300 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -1.776 -4.219 -7.827 1.00 0.63 H new ATOM 0 HD3 ARG A 53 -1.697 -3.781 -9.522 1.00 0.63 H new ATOM 0 HE ARG A 53 -0.796 -6.260 -8.313 1.00 0.73 H new ATOM 0 HH11 ARG A 53 0.107 -3.984 -10.866 1.00 2.72 H new ATOM 0 HH12 ARG A 53 0.688 -5.250 -11.953 1.00 2.72 H new ATOM 0 HH21 ARG A 53 -0.185 -7.888 -9.703 1.00 2.18 H new ATOM 0 HH22 ARG A 53 0.518 -7.511 -11.279 1.00 2.18 H new ATOM 794 N ALA A 54 4.265 -4.169 -7.553 1.00 0.33 N ATOM 795 CA ALA A 54 5.491 -4.796 -7.104 1.00 0.32 C ATOM 796 C ALA A 54 6.322 -3.797 -6.304 1.00 0.31 C ATOM 797 O ALA A 54 7.042 -4.183 -5.386 1.00 0.31 O ATOM 798 CB ALA A 54 6.278 -5.287 -8.317 1.00 0.32 C ATOM 0 H ALA A 54 4.133 -4.194 -8.564 1.00 0.33 H new ATOM 0 HA ALA A 54 5.255 -5.644 -6.462 1.00 0.32 H new ATOM 0 HB1 ALA A 54 7.202 -5.760 -7.984 1.00 0.32 H new ATOM 0 HB2 ALA A 54 5.679 -6.010 -8.871 1.00 0.32 H new ATOM 0 HB3 ALA A 54 6.515 -4.442 -8.963 1.00 0.32 H new ATOM 804 N GLN A 55 6.237 -2.508 -6.655 1.00 0.32 N ATOM 805 CA GLN A 55 7.060 -1.510 -6.005 1.00 0.32 C ATOM 806 C GLN A 55 6.467 -1.167 -4.650 1.00 0.28 C ATOM 807 O GLN A 55 7.191 -1.111 -3.655 1.00 0.30 O ATOM 808 CB GLN A 55 7.272 -0.300 -6.922 1.00 0.34 C ATOM 809 CG GLN A 55 8.527 0.474 -6.495 1.00 0.63 C ATOM 810 CD GLN A 55 8.845 1.638 -7.428 1.00 1.37 C ATOM 811 OE1 GLN A 55 9.037 2.765 -6.985 1.00 2.86 O ATOM 812 NE2 GLN A 55 8.909 1.381 -8.731 1.00 0.96 N ATOM 0 H GLN A 55 5.613 -2.146 -7.376 1.00 0.32 H new ATOM 0 HA GLN A 55 8.058 -1.906 -5.817 1.00 0.32 H new ATOM 0 HB2 GLN A 55 7.374 -0.631 -7.956 1.00 0.34 H new ATOM 0 HB3 GLN A 55 6.401 0.354 -6.881 1.00 0.34 H new ATOM 0 HG2 GLN A 55 8.389 0.853 -5.482 1.00 0.63 H new ATOM 0 HG3 GLN A 55 9.377 -0.207 -6.467 1.00 0.63 H new ATOM 0 HE21 GLN A 55 8.745 0.434 -9.073 1.00 0.96 H new ATOM 0 HE22 GLN A 55 9.122 2.131 -9.389 1.00 0.96 H new ATOM 821 N VAL A 56 5.144 -0.988 -4.597 1.00 0.25 N ATOM 822 CA VAL A 56 4.514 -0.716 -3.328 1.00 0.22 C ATOM 823 C VAL A 56 4.704 -1.930 -2.417 1.00 0.23 C ATOM 824 O VAL A 56 5.097 -1.776 -1.265 1.00 0.26 O ATOM 825 CB VAL A 56 3.046 -0.381 -3.549 1.00 0.23 C ATOM 826 CG1 VAL A 56 2.330 -0.420 -2.197 1.00 0.37 C ATOM 827 CG2 VAL A 56 2.964 1.041 -4.104 1.00 0.37 C ATOM 0 H VAL A 56 4.515 -1.027 -5.399 1.00 0.25 H new ATOM 0 HA VAL A 56 4.971 0.146 -2.842 1.00 0.22 H new ATOM 0 HB VAL A 56 2.587 -1.090 -4.238 1.00 0.23 H new ATOM 0 HG11 VAL A 56 1.276 -0.182 -2.337 1.00 0.37 H new ATOM 0 HG12 VAL A 56 2.423 -1.416 -1.765 1.00 0.37 H new ATOM 0 HG13 VAL A 56 2.781 0.310 -1.525 1.00 0.37 H new ATOM 0 HG21 VAL A 56 1.920 1.306 -4.272 1.00 0.37 H new ATOM 0 HG22 VAL A 56 3.405 1.736 -3.390 1.00 0.37 H new ATOM 0 HG23 VAL A 56 3.508 1.096 -5.047 1.00 0.37 H new ATOM 837 N GLU A 57 4.447 -3.135 -2.938 1.00 0.23 N ATOM 838 CA GLU A 57 4.774 -4.367 -2.237 1.00 0.21 C ATOM 839 C GLU A 57 6.191 -4.328 -1.703 1.00 0.20 C ATOM 840 O GLU A 57 6.350 -4.419 -0.498 1.00 0.24 O ATOM 841 CB GLU A 57 4.544 -5.595 -3.111 1.00 0.28 C ATOM 842 CG GLU A 57 5.161 -6.861 -2.498 1.00 0.41 C ATOM 843 CD GLU A 57 4.656 -8.142 -3.143 1.00 1.22 C ATOM 844 OE1 GLU A 57 4.177 -8.056 -4.293 1.00 2.23 O ATOM 845 OE2 GLU A 57 4.763 -9.183 -2.456 1.00 2.32 O ATOM 0 H GLU A 57 4.011 -3.276 -3.849 1.00 0.23 H new ATOM 0 HA GLU A 57 4.097 -4.448 -1.387 1.00 0.21 H new ATOM 0 HB2 GLU A 57 3.474 -5.745 -3.251 1.00 0.28 H new ATOM 0 HB3 GLU A 57 4.974 -5.423 -4.098 1.00 0.28 H new ATOM 0 HG2 GLU A 57 6.245 -6.814 -2.597 1.00 0.41 H new ATOM 0 HG3 GLU A 57 4.939 -6.886 -1.431 1.00 0.41 H new ATOM 852 N SER A 58 7.209 -4.187 -2.557 1.00 0.19 N ATOM 853 CA SER A 58 8.599 -4.170 -2.111 1.00 0.21 C ATOM 854 C SER A 58 8.757 -3.242 -0.899 1.00 0.22 C ATOM 855 O SER A 58 9.299 -3.632 0.137 1.00 0.26 O ATOM 856 CB SER A 58 9.509 -3.759 -3.276 1.00 0.25 C ATOM 857 OG SER A 58 10.871 -3.921 -2.932 1.00 0.52 O ATOM 0 H SER A 58 7.092 -4.083 -3.565 1.00 0.19 H new ATOM 0 HA SER A 58 8.896 -5.169 -1.792 1.00 0.21 H new ATOM 0 HB2 SER A 58 9.277 -4.362 -4.154 1.00 0.25 H new ATOM 0 HB3 SER A 58 9.318 -2.720 -3.543 1.00 0.25 H new ATOM 0 HG SER A 58 11.433 -3.655 -3.689 1.00 0.52 H new ATOM 863 N ALA A 59 8.213 -2.028 -1.011 1.00 0.21 N ATOM 864 CA ALA A 59 8.254 -1.046 0.057 1.00 0.22 C ATOM 865 C ALA A 59 7.574 -1.548 1.339 1.00 0.21 C ATOM 866 O ALA A 59 8.156 -1.462 2.416 1.00 0.25 O ATOM 867 CB ALA A 59 7.609 0.245 -0.435 1.00 0.23 C ATOM 0 H ALA A 59 7.732 -1.705 -1.850 1.00 0.21 H new ATOM 0 HA ALA A 59 9.296 -0.863 0.318 1.00 0.22 H new ATOM 0 HB1 ALA A 59 7.634 0.990 0.360 1.00 0.23 H new ATOM 0 HB2 ALA A 59 8.157 0.619 -1.300 1.00 0.23 H new ATOM 0 HB3 ALA A 59 6.574 0.050 -0.717 1.00 0.23 H new ATOM 873 N LEU A 60 6.340 -2.048 1.246 1.00 0.19 N ATOM 874 CA LEU A 60 5.544 -2.504 2.381 1.00 0.21 C ATOM 875 C LEU A 60 6.165 -3.733 3.043 1.00 0.23 C ATOM 876 O LEU A 60 6.226 -3.843 4.270 1.00 0.28 O ATOM 877 CB LEU A 60 4.127 -2.821 1.887 1.00 0.21 C ATOM 878 CG LEU A 60 3.333 -1.562 1.546 1.00 0.36 C ATOM 879 CD1 LEU A 60 2.063 -1.918 0.775 1.00 1.00 C ATOM 880 CD2 LEU A 60 2.916 -0.798 2.800 1.00 1.02 C ATOM 0 H LEU A 60 5.856 -2.148 0.354 1.00 0.19 H new ATOM 0 HA LEU A 60 5.512 -1.716 3.133 1.00 0.21 H new ATOM 0 HB2 LEU A 60 4.187 -3.459 1.005 1.00 0.21 H new ATOM 0 HB3 LEU A 60 3.596 -3.385 2.653 1.00 0.21 H new ATOM 0 HG LEU A 60 3.989 -0.937 0.940 1.00 0.36 H new ATOM 0 HD11 LEU A 60 1.512 -1.007 0.542 1.00 1.00 H new ATOM 0 HD12 LEU A 60 2.330 -2.428 -0.151 1.00 1.00 H new ATOM 0 HD13 LEU A 60 1.440 -2.574 1.383 1.00 1.00 H new ATOM 0 HD21 LEU A 60 2.353 0.091 2.514 1.00 1.02 H new ATOM 0 HD22 LEU A 60 2.292 -1.437 3.425 1.00 1.02 H new ATOM 0 HD23 LEU A 60 3.804 -0.501 3.358 1.00 1.02 H new ATOM 892 N GLN A 61 6.642 -4.658 2.216 1.00 0.24 N ATOM 893 CA GLN A 61 7.374 -5.829 2.674 1.00 0.33 C ATOM 894 C GLN A 61 8.588 -5.364 3.470 1.00 0.33 C ATOM 895 O GLN A 61 8.801 -5.819 4.592 1.00 0.36 O ATOM 896 CB GLN A 61 7.760 -6.730 1.488 1.00 0.41 C ATOM 897 CG GLN A 61 7.379 -8.204 1.704 1.00 0.53 C ATOM 898 CD GLN A 61 7.064 -8.880 0.372 1.00 0.93 C ATOM 899 OE1 GLN A 61 7.963 -9.349 -0.318 1.00 2.20 O ATOM 900 NE2 GLN A 61 5.785 -8.906 0.011 1.00 0.66 N ATOM 0 H GLN A 61 6.530 -4.614 1.203 1.00 0.24 H new ATOM 0 HA GLN A 61 6.745 -6.435 3.326 1.00 0.33 H new ATOM 0 HB2 GLN A 61 7.271 -6.363 0.586 1.00 0.41 H new ATOM 0 HB3 GLN A 61 8.835 -6.659 1.320 1.00 0.41 H new ATOM 0 HG2 GLN A 61 8.197 -8.728 2.199 1.00 0.53 H new ATOM 0 HG3 GLN A 61 6.514 -8.268 2.364 1.00 0.53 H new ATOM 0 HE21 GLN A 61 5.075 -8.502 0.621 1.00 0.66 H new ATOM 0 HE22 GLN A 61 5.514 -9.330 -0.876 1.00 0.66 H new ATOM 909 N LYS A 62 9.359 -4.423 2.914 1.00 0.33 N ATOM 910 CA LYS A 62 10.517 -3.885 3.606 1.00 0.35 C ATOM 911 C LYS A 62 10.102 -3.171 4.899 1.00 0.33 C ATOM 912 O LYS A 62 10.776 -3.300 5.919 1.00 0.39 O ATOM 913 CB LYS A 62 11.325 -2.989 2.652 1.00 0.43 C ATOM 914 CG LYS A 62 12.720 -2.643 3.194 1.00 1.29 C ATOM 915 CD LYS A 62 12.733 -1.360 4.040 1.00 2.25 C ATOM 916 CE LYS A 62 14.092 -1.209 4.738 1.00 3.42 C ATOM 917 NZ LYS A 62 14.119 -0.047 5.650 1.00 4.56 N ATOM 0 H LYS A 62 9.196 -4.024 1.989 1.00 0.33 H new ATOM 0 HA LYS A 62 11.171 -4.702 3.912 1.00 0.35 H new ATOM 0 HB2 LYS A 62 11.429 -3.492 1.690 1.00 0.43 H new ATOM 0 HB3 LYS A 62 10.772 -2.067 2.472 1.00 0.43 H new ATOM 0 HG2 LYS A 62 13.086 -3.474 3.798 1.00 1.29 H new ATOM 0 HG3 LYS A 62 13.410 -2.528 2.358 1.00 1.29 H new ATOM 0 HD2 LYS A 62 12.542 -0.494 3.406 1.00 2.25 H new ATOM 0 HD3 LYS A 62 11.935 -1.395 4.782 1.00 2.25 H new ATOM 0 HE2 LYS A 62 14.314 -2.116 5.300 1.00 3.42 H new ATOM 0 HE3 LYS A 62 14.875 -1.099 3.988 1.00 3.42 H new ATOM 0 HZ1 LYS A 62 15.054 0.019 6.101 1.00 4.56 H new ATOM 0 HZ2 LYS A 62 13.933 0.822 5.110 1.00 4.56 H new ATOM 0 HZ3 LYS A 62 13.389 -0.163 6.382 1.00 4.56 H new ATOM 931 N ALA A 63 9.023 -2.384 4.854 1.00 0.30 N ATOM 932 CA ALA A 63 8.483 -1.674 6.009 1.00 0.33 C ATOM 933 C ALA A 63 8.132 -2.662 7.123 1.00 0.35 C ATOM 934 O ALA A 63 8.375 -2.379 8.294 1.00 0.46 O ATOM 935 CB ALA A 63 7.262 -0.841 5.607 1.00 0.35 C ATOM 0 H ALA A 63 8.494 -2.222 3.997 1.00 0.30 H new ATOM 0 HA ALA A 63 9.244 -0.992 6.387 1.00 0.33 H new ATOM 0 HB1 ALA A 63 6.874 -0.319 6.482 1.00 0.35 H new ATOM 0 HB2 ALA A 63 7.552 -0.113 4.849 1.00 0.35 H new ATOM 0 HB3 ALA A 63 6.491 -1.497 5.204 1.00 0.35 H new ATOM 941 N GLY A 64 7.587 -3.820 6.742 1.00 0.36 N ATOM 942 CA GLY A 64 7.441 -4.977 7.608 1.00 0.40 C ATOM 943 C GLY A 64 5.990 -5.431 7.700 1.00 0.39 C ATOM 944 O GLY A 64 5.514 -5.723 8.794 1.00 0.52 O ATOM 0 H GLY A 64 7.229 -3.976 5.800 1.00 0.36 H new ATOM 0 HA2 GLY A 64 8.055 -5.794 7.230 1.00 0.40 H new ATOM 0 HA3 GLY A 64 7.811 -4.735 8.604 1.00 0.40 H new ATOM 948 N TYR A 65 5.294 -5.517 6.561 1.00 0.38 N ATOM 949 CA TYR A 65 3.955 -6.087 6.497 1.00 0.42 C ATOM 950 C TYR A 65 3.939 -7.154 5.410 1.00 0.45 C ATOM 951 O TYR A 65 4.425 -6.914 4.305 1.00 0.97 O ATOM 952 CB TYR A 65 2.921 -4.995 6.200 1.00 0.54 C ATOM 953 CG TYR A 65 3.113 -3.718 6.994 1.00 0.54 C ATOM 954 CD1 TYR A 65 2.973 -3.731 8.395 1.00 1.89 C ATOM 955 CD2 TYR A 65 3.576 -2.555 6.351 1.00 1.67 C ATOM 956 CE1 TYR A 65 3.312 -2.595 9.148 1.00 1.89 C ATOM 957 CE2 TYR A 65 3.899 -1.414 7.102 1.00 1.73 C ATOM 958 CZ TYR A 65 3.787 -1.440 8.502 1.00 0.74 C ATOM 959 OH TYR A 65 4.174 -0.354 9.229 1.00 0.96 O ATOM 0 H TYR A 65 5.648 -5.192 5.661 1.00 0.38 H new ATOM 0 HA TYR A 65 3.695 -6.535 7.456 1.00 0.42 H new ATOM 0 HB2 TYR A 65 2.958 -4.756 5.137 1.00 0.54 H new ATOM 0 HB3 TYR A 65 1.925 -5.389 6.404 1.00 0.54 H new ATOM 0 HD1 TYR A 65 2.604 -4.616 8.892 1.00 1.89 H new ATOM 0 HD2 TYR A 65 3.683 -2.540 5.276 1.00 1.67 H new ATOM 0 HE1 TYR A 65 3.208 -2.609 10.223 1.00 1.89 H new ATOM 0 HE2 TYR A 65 4.234 -0.516 6.604 1.00 1.73 H new ATOM 0 HH TYR A 65 3.711 -0.357 10.093 1.00 0.96 H new ATOM 969 N SER A 66 3.367 -8.324 5.696 1.00 0.47 N ATOM 970 CA SER A 66 3.168 -9.341 4.688 1.00 0.43 C ATOM 971 C SER A 66 1.890 -8.962 3.958 1.00 0.38 C ATOM 972 O SER A 66 0.849 -8.824 4.607 1.00 0.50 O ATOM 973 CB SER A 66 3.002 -10.695 5.379 1.00 0.54 C ATOM 974 OG SER A 66 2.064 -10.560 6.431 1.00 1.86 O ATOM 0 H SER A 66 3.035 -8.582 6.625 1.00 0.47 H new ATOM 0 HA SER A 66 4.008 -9.411 3.996 1.00 0.43 H new ATOM 0 HB2 SER A 66 2.662 -11.444 4.664 1.00 0.54 H new ATOM 0 HB3 SER A 66 3.960 -11.039 5.769 1.00 0.54 H new ATOM 0 HG SER A 66 1.349 -9.949 6.156 1.00 1.86 H new ATOM 980 N LEU A 67 1.969 -8.801 2.638 1.00 0.37 N ATOM 981 CA LEU A 67 0.803 -8.653 1.793 1.00 0.37 C ATOM 982 C LEU A 67 0.851 -9.686 0.679 1.00 0.39 C ATOM 983 O LEU A 67 1.829 -10.420 0.551 1.00 0.41 O ATOM 984 CB LEU A 67 0.699 -7.215 1.259 1.00 0.34 C ATOM 985 CG LEU A 67 1.882 -6.673 0.448 1.00 0.33 C ATOM 986 CD1 LEU A 67 1.978 -7.347 -0.917 1.00 0.75 C ATOM 987 CD2 LEU A 67 1.615 -5.173 0.323 1.00 0.74 C ATOM 0 H LEU A 67 2.853 -8.770 2.129 1.00 0.37 H new ATOM 0 HA LEU A 67 -0.100 -8.833 2.376 1.00 0.37 H new ATOM 0 HB2 LEU A 67 -0.193 -7.151 0.636 1.00 0.34 H new ATOM 0 HB3 LEU A 67 0.542 -6.551 2.109 1.00 0.34 H new ATOM 0 HG LEU A 67 2.838 -6.874 0.932 1.00 0.33 H new ATOM 0 HD11 LEU A 67 2.827 -6.939 -1.465 1.00 0.75 H new ATOM 0 HD12 LEU A 67 2.114 -8.420 -0.784 1.00 0.75 H new ATOM 0 HD13 LEU A 67 1.062 -7.164 -1.478 1.00 0.75 H new ATOM 0 HD21 LEU A 67 2.419 -4.707 -0.247 1.00 0.74 H new ATOM 0 HD22 LEU A 67 0.667 -5.014 -0.190 1.00 0.74 H new ATOM 0 HD23 LEU A 67 1.569 -4.728 1.317 1.00 0.74 H new ATOM 999 N ARG A 68 -0.198 -9.705 -0.138 1.00 0.46 N ATOM 1000 CA ARG A 68 -0.151 -10.227 -1.490 1.00 0.57 C ATOM 1001 C ARG A 68 -0.734 -9.116 -2.351 1.00 0.74 C ATOM 1002 O ARG A 68 -1.677 -8.457 -1.896 1.00 1.09 O ATOM 1003 CB ARG A 68 -0.987 -11.505 -1.614 1.00 0.72 C ATOM 1004 CG ARG A 68 -0.793 -12.435 -0.411 1.00 0.52 C ATOM 1005 CD ARG A 68 -1.450 -13.809 -0.593 1.00 1.09 C ATOM 1006 NE ARG A 68 -0.703 -14.675 -1.524 1.00 2.30 N ATOM 1007 CZ ARG A 68 -0.962 -14.865 -2.829 1.00 3.73 C ATOM 1008 NH1 ARG A 68 -1.876 -14.112 -3.452 1.00 4.36 N ATOM 1009 NH2 ARG A 68 -0.305 -15.813 -3.505 1.00 5.01 N ATOM 0 H ARG A 68 -1.117 -9.351 0.130 1.00 0.46 H new ATOM 0 HA ARG A 68 0.861 -10.497 -1.791 1.00 0.57 H new ATOM 0 HB2 ARG A 68 -2.041 -11.242 -1.703 1.00 0.72 H new ATOM 0 HB3 ARG A 68 -0.712 -12.032 -2.528 1.00 0.72 H new ATOM 0 HG2 ARG A 68 0.274 -12.571 -0.234 1.00 0.52 H new ATOM 0 HG3 ARG A 68 -1.205 -11.958 0.478 1.00 0.52 H new ATOM 0 HD2 ARG A 68 -1.525 -14.303 0.376 1.00 1.09 H new ATOM 0 HD3 ARG A 68 -2.467 -13.676 -0.963 1.00 1.09 H new ATOM 0 HE ARG A 68 0.093 -15.182 -1.137 1.00 2.30 H new ATOM 0 HH11 ARG A 68 -2.379 -13.390 -2.936 1.00 4.36 H new ATOM 0 HH12 ARG A 68 -2.069 -14.260 -4.443 1.00 4.36 H new ATOM 0 HH21 ARG A 68 0.390 -16.389 -3.030 1.00 5.01 H new ATOM 0 HH22 ARG A 68 -0.499 -15.960 -4.496 1.00 5.01 H new ATOM 1023 N ASP A 69 -0.185 -8.871 -3.544 1.00 0.65 N ATOM 1024 CA ASP A 69 -0.813 -7.957 -4.459 1.00 0.76 C ATOM 1025 C ASP A 69 -2.131 -8.579 -4.852 1.00 0.62 C ATOM 1026 O ASP A 69 -2.264 -9.801 -4.960 1.00 1.03 O ATOM 1027 CB ASP A 69 0.061 -7.598 -5.666 1.00 1.19 C ATOM 1028 CG ASP A 69 -0.075 -8.517 -6.878 1.00 1.57 C ATOM 1029 OD1 ASP A 69 0.213 -9.721 -6.726 1.00 2.23 O ATOM 1030 OD2 ASP A 69 -0.425 -7.978 -7.957 1.00 3.01 O ATOM 0 H ASP A 69 0.680 -9.293 -3.881 1.00 0.65 H new ATOM 0 HA ASP A 69 -0.971 -6.995 -3.972 1.00 0.76 H new ATOM 0 HB2 ASP A 69 -0.179 -6.581 -5.976 1.00 1.19 H new ATOM 0 HB3 ASP A 69 1.104 -7.597 -5.349 1.00 1.19 H new ATOM 1035 N GLU A 70 -3.113 -7.701 -4.966 1.00 0.48 N ATOM 1036 CA GLU A 70 -4.410 -8.038 -5.486 1.00 0.52 C ATOM 1037 C GLU A 70 -4.604 -7.490 -6.891 1.00 0.58 C ATOM 1038 O GLU A 70 -3.749 -6.799 -7.446 1.00 0.67 O ATOM 1039 CB GLU A 70 -5.529 -7.583 -4.542 1.00 0.61 C ATOM 1040 CG GLU A 70 -6.031 -8.742 -3.704 1.00 0.58 C ATOM 1041 CD GLU A 70 -6.852 -9.762 -4.475 1.00 1.68 C ATOM 1042 OE1 GLU A 70 -7.129 -9.483 -5.663 1.00 2.48 O ATOM 1043 OE2 GLU A 70 -7.154 -10.805 -3.840 1.00 2.96 O ATOM 0 H GLU A 70 -3.022 -6.722 -4.694 1.00 0.48 H new ATOM 0 HA GLU A 70 -4.465 -9.125 -5.551 1.00 0.52 H new ATOM 0 HB2 GLU A 70 -5.161 -6.790 -3.891 1.00 0.61 H new ATOM 0 HB3 GLU A 70 -6.352 -7.164 -5.121 1.00 0.61 H new ATOM 0 HG2 GLU A 70 -5.176 -9.247 -3.254 1.00 0.58 H new ATOM 0 HG3 GLU A 70 -6.636 -8.349 -2.887 1.00 0.58 H new ATOM 1050 N GLN A 71 -5.767 -7.809 -7.452 1.00 0.65 N ATOM 1051 CA GLN A 71 -6.200 -7.260 -8.724 1.00 0.72 C ATOM 1052 C GLN A 71 -6.296 -5.726 -8.680 1.00 0.73 C ATOM 1053 O GLN A 71 -6.271 -5.095 -7.617 1.00 0.82 O ATOM 1054 CB GLN A 71 -7.514 -7.935 -9.142 1.00 0.84 C ATOM 1055 CG GLN A 71 -8.682 -7.583 -8.206 1.00 1.72 C ATOM 1056 CD GLN A 71 -9.559 -8.795 -7.896 1.00 2.49 C ATOM 1057 OE1 GLN A 71 -9.834 -9.624 -8.758 1.00 2.94 O ATOM 1058 NE2 GLN A 71 -9.946 -8.944 -6.633 1.00 3.40 N ATOM 0 H GLN A 71 -6.434 -8.457 -7.033 1.00 0.65 H new ATOM 0 HA GLN A 71 -5.452 -7.477 -9.487 1.00 0.72 H new ATOM 0 HB2 GLN A 71 -7.765 -7.635 -10.159 1.00 0.84 H new ATOM 0 HB3 GLN A 71 -7.375 -9.016 -9.154 1.00 0.84 H new ATOM 0 HG2 GLN A 71 -8.289 -7.174 -7.275 1.00 1.72 H new ATOM 0 HG3 GLN A 71 -9.291 -6.804 -8.665 1.00 1.72 H new ATOM 0 HE21 GLN A 71 -9.702 -8.238 -5.938 1.00 3.40 H new ATOM 0 HE22 GLN A 71 -10.487 -9.764 -6.359 1.00 3.40 H new