USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 65 TYR OH : rot -135:sc= 1.21 USER MOD Set 2.1: A 33 ASN : amide:sc= 1.24 K(o=2.3,f=-6.4!) USER MOD Set 2.2: A 34 GLN : amide:sc= 1.04 K(o=2.3,f=0.34) USER MOD Set 3.1: A 4 THR OG1 : rot 5:sc= 0.832 USER MOD Set 3.2: A 6 TYR OH : rot 167:sc= 0.718 USER MOD Single : A 7 SER OG : rot -135:sc= 1.13 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 -112:sc= -2.37 (180deg=-9.09!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.293 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.512 K(o=0.51,f=-0.2) USER MOD Single : A 28 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.18) USER MOD Single : A 36 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.15) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.503 F(o=-1.3!,f=-0.5) USER MOD Single : A 55 GLN : amide:sc= -0.0023 X(o=-0.0023,f=-0.0023) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.293 F(o=-0.81,f=-0.29) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.13 K(o=1.1,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -4.866 4.275 -12.486 1.00 0.63 N ATOM 20 CA THR A 4 -5.170 2.859 -12.323 1.00 0.60 C ATOM 21 C THR A 4 -5.185 2.569 -10.836 1.00 0.49 C ATOM 22 O THR A 4 -4.394 3.144 -10.100 1.00 0.51 O ATOM 23 CB THR A 4 -4.089 1.982 -12.968 1.00 0.85 C ATOM 24 OG1 THR A 4 -3.234 2.752 -13.776 1.00 1.71 O ATOM 25 CG2 THR A 4 -4.676 0.797 -13.735 1.00 1.23 C ATOM 0 HA THR A 4 -6.126 2.638 -12.798 1.00 0.60 H new ATOM 0 HB THR A 4 -3.496 1.557 -12.158 1.00 0.85 H new ATOM 0 HG1 THR A 4 -3.472 3.699 -13.694 1.00 1.71 H new ATOM 0 HG21 THR A 4 -3.868 0.210 -14.171 1.00 1.23 H new ATOM 0 HG22 THR A 4 -5.252 0.171 -13.053 1.00 1.23 H new ATOM 0 HG23 THR A 4 -5.327 1.164 -14.528 1.00 1.23 H new ATOM 33 N ARG A 5 -6.039 1.645 -10.420 1.00 0.53 N ATOM 34 CA ARG A 5 -6.219 1.286 -9.024 1.00 0.48 C ATOM 35 C ARG A 5 -5.642 -0.093 -8.755 1.00 0.44 C ATOM 36 O ARG A 5 -5.834 -0.997 -9.566 1.00 0.71 O ATOM 37 CB ARG A 5 -7.703 1.309 -8.683 1.00 0.59 C ATOM 38 CG ARG A 5 -7.876 1.014 -7.192 1.00 0.65 C ATOM 39 CD ARG A 5 -9.341 1.024 -6.789 1.00 0.84 C ATOM 40 NE ARG A 5 -9.791 2.398 -6.505 1.00 1.71 N ATOM 41 CZ ARG A 5 -10.390 3.238 -7.361 1.00 2.94 C ATOM 42 NH1 ARG A 5 -10.641 2.856 -8.618 1.00 3.63 N ATOM 43 NH2 ARG A 5 -10.763 4.450 -6.941 1.00 4.08 N ATOM 0 H ARG A 5 -6.636 1.116 -11.056 1.00 0.53 H new ATOM 0 HA ARG A 5 -5.693 2.007 -8.398 1.00 0.48 H new ATOM 0 HB2 ARG A 5 -8.130 2.282 -8.926 1.00 0.59 H new ATOM 0 HB3 ARG A 5 -8.238 0.568 -9.278 1.00 0.59 H new ATOM 0 HG2 ARG A 5 -7.440 0.042 -6.959 1.00 0.65 H new ATOM 0 HG3 ARG A 5 -7.332 1.756 -6.608 1.00 0.65 H new ATOM 0 HD2 ARG A 5 -9.946 0.595 -7.587 1.00 0.84 H new ATOM 0 HD3 ARG A 5 -9.486 0.399 -5.908 1.00 0.84 H new ATOM 0 HE ARG A 5 -9.630 2.746 -5.560 1.00 1.71 H new ATOM 0 HH11 ARG A 5 -10.376 1.921 -8.929 1.00 3.63 H new ATOM 0 HH12 ARG A 5 -11.097 3.499 -9.265 1.00 3.63 H new ATOM 0 HH21 ARG A 5 -10.591 4.730 -5.975 1.00 4.08 H new ATOM 0 HH22 ARG A 5 -11.219 5.095 -7.586 1.00 4.08 H new ATOM 57 N TYR A 6 -4.980 -0.249 -7.606 1.00 0.29 N ATOM 58 CA TYR A 6 -4.421 -1.506 -7.140 1.00 0.29 C ATOM 59 C TYR A 6 -4.851 -1.802 -5.710 1.00 0.28 C ATOM 60 O TYR A 6 -4.713 -0.911 -4.874 1.00 0.37 O ATOM 61 CB TYR A 6 -2.915 -1.453 -7.303 1.00 0.35 C ATOM 62 CG TYR A 6 -2.439 -0.993 -8.656 1.00 0.42 C ATOM 63 CD1 TYR A 6 -2.959 -1.598 -9.812 1.00 1.69 C ATOM 64 CD2 TYR A 6 -1.544 0.081 -8.765 1.00 1.71 C ATOM 65 CE1 TYR A 6 -2.673 -1.059 -11.069 1.00 1.65 C ATOM 66 CE2 TYR A 6 -1.143 0.520 -10.033 1.00 1.81 C ATOM 67 CZ TYR A 6 -1.695 -0.062 -11.188 1.00 0.66 C ATOM 68 OH TYR A 6 -1.384 0.427 -12.419 1.00 0.82 O ATOM 0 H TYR A 6 -4.817 0.523 -6.960 1.00 0.29 H new ATOM 0 HA TYR A 6 -4.803 -2.333 -7.739 1.00 0.29 H new ATOM 0 HB2 TYR A 6 -2.505 -0.786 -6.544 1.00 0.35 H new ATOM 0 HB3 TYR A 6 -2.508 -2.445 -7.109 1.00 0.35 H new ATOM 0 HD1 TYR A 6 -3.579 -2.478 -9.729 1.00 1.69 H new ATOM 0 HD2 TYR A 6 -1.166 0.566 -7.877 1.00 1.71 H new ATOM 0 HE1 TYR A 6 -3.202 -1.408 -11.943 1.00 1.65 H new ATOM 0 HE2 TYR A 6 -0.409 1.307 -10.124 1.00 1.81 H new ATOM 0 HH TYR A 6 -0.851 1.244 -12.322 1.00 0.82 H new ATOM 78 N SER A 7 -5.361 -3.019 -5.445 1.00 0.28 N ATOM 79 CA SER A 7 -5.736 -3.526 -4.122 1.00 0.36 C ATOM 80 C SER A 7 -4.630 -4.446 -3.572 1.00 0.30 C ATOM 81 O SER A 7 -3.972 -5.143 -4.343 1.00 0.30 O ATOM 82 CB SER A 7 -7.122 -4.213 -4.188 1.00 0.47 C ATOM 83 OG SER A 7 -7.306 -5.240 -3.225 1.00 2.17 O ATOM 0 H SER A 7 -5.528 -3.702 -6.184 1.00 0.28 H new ATOM 0 HA SER A 7 -5.830 -2.697 -3.421 1.00 0.36 H new ATOM 0 HB2 SER A 7 -7.897 -3.458 -4.051 1.00 0.47 H new ATOM 0 HB3 SER A 7 -7.260 -4.634 -5.184 1.00 0.47 H new ATOM 0 HG SER A 7 -7.715 -6.021 -3.654 1.00 2.17 H new ATOM 89 N TRP A 8 -4.410 -4.443 -2.249 1.00 0.27 N ATOM 90 CA TRP A 8 -3.670 -5.486 -1.541 1.00 0.30 C ATOM 91 C TRP A 8 -4.337 -5.809 -0.206 1.00 0.31 C ATOM 92 O TRP A 8 -5.117 -5.008 0.312 1.00 0.36 O ATOM 93 CB TRP A 8 -2.212 -5.141 -1.277 1.00 0.34 C ATOM 94 CG TRP A 8 -1.325 -4.645 -2.360 1.00 0.38 C ATOM 95 CD1 TRP A 8 -0.184 -5.216 -2.776 1.00 0.49 C ATOM 96 CD2 TRP A 8 -1.340 -3.371 -3.028 1.00 0.40 C ATOM 97 NE1 TRP A 8 0.608 -4.188 -3.296 1.00 0.79 N ATOM 98 CE2 TRP A 8 0.002 -2.940 -3.120 1.00 0.81 C ATOM 99 CE3 TRP A 8 -2.051 -2.910 -4.150 1.00 0.77 C ATOM 100 CZ2 TRP A 8 0.168 -1.676 -3.738 1.00 1.06 C ATOM 101 CZ3 TRP A 8 -1.246 -2.591 -5.288 1.00 0.75 C ATOM 102 CH2 TRP A 8 -0.223 -1.679 -5.062 1.00 0.48 C ATOM 0 H TRP A 8 -4.749 -3.702 -1.635 1.00 0.27 H new ATOM 0 HA TRP A 8 -3.688 -6.348 -2.208 1.00 0.30 H new ATOM 0 HB2 TRP A 8 -2.202 -4.388 -0.489 1.00 0.34 H new ATOM 0 HB3 TRP A 8 -1.743 -6.036 -0.868 1.00 0.34 H new ATOM 0 HD1 TRP A 8 0.072 -6.264 -2.720 1.00 0.49 H new ATOM 0 HE1 TRP A 8 1.512 -4.330 -3.746 1.00 0.79 H new ATOM 0 HE3 TRP A 8 -3.126 -2.805 -4.152 1.00 0.77 H new ATOM 0 HZ2 TRP A 8 0.557 -0.806 -3.230 1.00 1.06 H new ATOM 0 HZ3 TRP A 8 -1.422 -3.030 -6.259 1.00 0.75 H new ATOM 0 HH2 TRP A 8 0.212 -1.051 -5.826 1.00 0.48 H new ATOM 113 N LYS A 9 -3.984 -6.977 0.349 1.00 0.31 N ATOM 114 CA LYS A 9 -4.569 -7.573 1.540 1.00 0.32 C ATOM 115 C LYS A 9 -3.504 -7.576 2.636 1.00 0.48 C ATOM 116 O LYS A 9 -2.679 -8.485 2.659 1.00 0.81 O ATOM 117 CB LYS A 9 -4.979 -9.013 1.186 1.00 0.37 C ATOM 118 CG LYS A 9 -6.089 -9.020 0.127 1.00 1.46 C ATOM 119 CD LYS A 9 -6.124 -10.321 -0.684 1.00 1.15 C ATOM 120 CE LYS A 9 -6.434 -11.532 0.206 1.00 1.31 C ATOM 121 NZ LYS A 9 -6.944 -12.669 -0.587 1.00 2.07 N ATOM 0 H LYS A 9 -3.243 -7.555 -0.048 1.00 0.31 H new ATOM 0 HA LYS A 9 -5.441 -7.020 1.888 1.00 0.32 H new ATOM 0 HB2 LYS A 9 -4.113 -9.561 0.815 1.00 0.37 H new ATOM 0 HB3 LYS A 9 -5.323 -9.529 2.083 1.00 0.37 H new ATOM 0 HG2 LYS A 9 -7.053 -8.875 0.615 1.00 1.46 H new ATOM 0 HG3 LYS A 9 -5.945 -8.178 -0.550 1.00 1.46 H new ATOM 0 HD2 LYS A 9 -6.878 -10.242 -1.468 1.00 1.15 H new ATOM 0 HD3 LYS A 9 -5.164 -10.468 -1.179 1.00 1.15 H new ATOM 0 HE2 LYS A 9 -5.532 -11.834 0.739 1.00 1.31 H new ATOM 0 HE3 LYS A 9 -7.171 -11.253 0.959 1.00 1.31 H new ATOM 0 HZ1 LYS A 9 -7.144 -13.471 0.044 1.00 2.07 H new ATOM 0 HZ2 LYS A 9 -7.818 -12.387 -1.076 1.00 2.07 H new ATOM 0 HZ3 LYS A 9 -6.230 -12.951 -1.289 1.00 2.07 H new ATOM 135 N VAL A 10 -3.476 -6.566 3.507 1.00 0.45 N ATOM 136 CA VAL A 10 -2.368 -6.338 4.417 1.00 0.56 C ATOM 137 C VAL A 10 -2.681 -6.939 5.780 1.00 0.69 C ATOM 138 O VAL A 10 -3.673 -6.571 6.405 1.00 1.34 O ATOM 139 CB VAL A 10 -2.097 -4.835 4.571 1.00 0.64 C ATOM 140 CG1 VAL A 10 -0.698 -4.627 5.149 1.00 0.78 C ATOM 141 CG2 VAL A 10 -2.153 -4.116 3.231 1.00 0.52 C ATOM 0 H VAL A 10 -4.229 -5.883 3.596 1.00 0.45 H new ATOM 0 HA VAL A 10 -1.480 -6.817 4.004 1.00 0.56 H new ATOM 0 HB VAL A 10 -2.865 -4.430 5.230 1.00 0.64 H new ATOM 0 HG11 VAL A 10 -0.505 -3.560 5.259 1.00 0.78 H new ATOM 0 HG12 VAL A 10 -0.632 -5.110 6.124 1.00 0.78 H new ATOM 0 HG13 VAL A 10 0.042 -5.063 4.477 1.00 0.78 H new ATOM 0 HG21 VAL A 10 -1.956 -3.054 3.379 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -1.401 -4.534 2.562 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.142 -4.244 2.791 1.00 0.52 H new ATOM 151 N SER A 11 -1.797 -7.811 6.260 1.00 0.46 N ATOM 152 CA SER A 11 -1.830 -8.323 7.617 1.00 0.38 C ATOM 153 C SER A 11 -0.542 -7.864 8.288 1.00 0.43 C ATOM 154 O SER A 11 0.534 -8.351 7.939 1.00 0.72 O ATOM 155 CB SER A 11 -1.945 -9.852 7.606 1.00 0.59 C ATOM 156 OG SER A 11 -3.293 -10.244 7.432 1.00 1.48 O ATOM 0 H SER A 11 -1.028 -8.184 5.704 1.00 0.46 H new ATOM 0 HA SER A 11 -2.695 -7.949 8.164 1.00 0.38 H new ATOM 0 HB2 SER A 11 -1.334 -10.263 6.803 1.00 0.59 H new ATOM 0 HB3 SER A 11 -1.559 -10.259 8.541 1.00 0.59 H new ATOM 0 HG SER A 11 -3.351 -11.222 7.425 1.00 1.48 H new ATOM 162 N GLY A 12 -0.659 -6.916 9.220 1.00 0.48 N ATOM 163 CA GLY A 12 0.443 -6.478 10.066 1.00 0.75 C ATOM 164 C GLY A 12 0.339 -4.987 10.366 1.00 0.88 C ATOM 165 O GLY A 12 0.813 -4.519 11.402 1.00 1.14 O ATOM 0 H GLY A 12 -1.534 -6.427 9.407 1.00 0.48 H new ATOM 0 HA2 GLY A 12 0.437 -7.042 10.999 1.00 0.75 H new ATOM 0 HA3 GLY A 12 1.392 -6.688 9.572 1.00 0.75 H new ATOM 169 N MET A 13 -0.254 -4.225 9.443 1.00 0.78 N ATOM 170 CA MET A 13 -0.513 -2.815 9.667 1.00 0.80 C ATOM 171 C MET A 13 -1.626 -2.672 10.691 1.00 0.93 C ATOM 172 O MET A 13 -2.774 -2.423 10.329 1.00 1.14 O ATOM 173 CB MET A 13 -0.878 -2.142 8.346 1.00 0.68 C ATOM 174 CG MET A 13 -0.666 -0.627 8.351 1.00 2.01 C ATOM 175 SD MET A 13 -1.938 0.467 9.041 1.00 3.12 S ATOM 176 CE MET A 13 -1.705 0.387 10.828 1.00 5.57 C ATOM 0 H MET A 13 -0.562 -4.570 8.534 1.00 0.78 H new ATOM 0 HA MET A 13 0.379 -2.324 10.056 1.00 0.80 H new ATOM 0 HB2 MET A 13 -0.281 -2.581 7.547 1.00 0.68 H new ATOM 0 HB3 MET A 13 -1.922 -2.354 8.117 1.00 0.68 H new ATOM 0 HG2 MET A 13 0.259 -0.431 8.894 1.00 2.01 H new ATOM 0 HG3 MET A 13 -0.500 -0.320 7.318 1.00 2.01 H new ATOM 0 HE1 MET A 13 -2.557 -0.118 11.284 1.00 5.57 H new ATOM 0 HE2 MET A 13 -0.793 -0.166 11.052 1.00 5.57 H new ATOM 0 HE3 MET A 13 -1.624 1.397 11.230 1.00 5.57 H new ATOM 186 N ASP A 14 -1.268 -2.792 11.969 1.00 1.19 N ATOM 187 CA ASP A 14 -2.239 -2.757 13.040 1.00 1.50 C ATOM 188 C ASP A 14 -1.676 -1.990 14.236 1.00 1.65 C ATOM 189 O ASP A 14 -1.395 -2.567 15.284 1.00 2.10 O ATOM 190 CB ASP A 14 -2.667 -4.192 13.389 1.00 1.98 C ATOM 191 CG ASP A 14 -3.329 -4.904 12.211 1.00 3.48 C ATOM 192 OD1 ASP A 14 -4.567 -4.779 12.113 1.00 3.59 O ATOM 193 OD2 ASP A 14 -2.586 -5.548 11.430 1.00 5.19 O ATOM 0 H ASP A 14 -0.304 -2.915 12.280 1.00 1.19 H new ATOM 0 HA ASP A 14 -3.134 -2.221 12.724 1.00 1.50 H new ATOM 0 HB2 ASP A 14 -1.794 -4.761 13.710 1.00 1.98 H new ATOM 0 HB3 ASP A 14 -3.359 -4.167 14.231 1.00 1.98 H new ATOM 198 N CYS A 15 -1.511 -0.671 14.080 1.00 1.35 N ATOM 199 CA CYS A 15 -1.138 0.211 15.189 1.00 1.48 C ATOM 200 C CYS A 15 -1.715 1.612 14.971 1.00 1.47 C ATOM 201 O CYS A 15 -2.874 1.849 15.295 1.00 2.54 O ATOM 202 CB CYS A 15 0.382 0.203 15.396 1.00 1.40 C ATOM 203 SG CYS A 15 0.820 1.371 16.707 1.00 1.99 S ATOM 0 H CYS A 15 -1.631 -0.190 13.189 1.00 1.35 H new ATOM 0 HA CYS A 15 -1.574 -0.163 16.116 1.00 1.48 H new ATOM 0 HB2 CYS A 15 0.718 -0.800 15.661 1.00 1.40 H new ATOM 0 HB3 CYS A 15 0.887 0.474 14.469 1.00 1.40 H new ATOM 0 HG CYS A 15 2.108 1.362 16.884 1.00 1.99 H new ATOM 209 N ALA A 16 -0.931 2.538 14.409 1.00 1.36 N ATOM 210 CA ALA A 16 -1.356 3.899 14.108 1.00 1.24 C ATOM 211 C ALA A 16 -0.324 4.546 13.187 1.00 1.01 C ATOM 212 O ALA A 16 -0.582 4.755 12.007 1.00 2.03 O ATOM 213 CB ALA A 16 -1.553 4.710 15.395 1.00 1.69 C ATOM 0 H ALA A 16 0.037 2.353 14.147 1.00 1.36 H new ATOM 0 HA ALA A 16 -2.320 3.878 13.600 1.00 1.24 H new ATOM 0 HB1 ALA A 16 -1.870 5.722 15.143 1.00 1.69 H new ATOM 0 HB2 ALA A 16 -2.315 4.234 16.012 1.00 1.69 H new ATOM 0 HB3 ALA A 16 -0.614 4.751 15.947 1.00 1.69 H new ATOM 219 N ALA A 17 0.892 4.781 13.689 1.00 0.78 N ATOM 220 CA ALA A 17 1.998 5.291 12.877 1.00 0.61 C ATOM 221 C ALA A 17 2.363 4.334 11.730 1.00 0.50 C ATOM 222 O ALA A 17 2.994 4.728 10.748 1.00 0.53 O ATOM 223 CB ALA A 17 3.207 5.547 13.780 1.00 1.16 C ATOM 0 H ALA A 17 1.136 4.623 14.667 1.00 0.78 H new ATOM 0 HA ALA A 17 1.682 6.225 12.413 1.00 0.61 H new ATOM 0 HB1 ALA A 17 4.035 5.927 13.181 1.00 1.16 H new ATOM 0 HB2 ALA A 17 2.943 6.281 14.542 1.00 1.16 H new ATOM 0 HB3 ALA A 17 3.505 4.616 14.261 1.00 1.16 H new ATOM 229 N CYS A 18 1.952 3.069 11.849 1.00 0.47 N ATOM 230 CA CYS A 18 2.127 2.050 10.835 1.00 0.43 C ATOM 231 C CYS A 18 1.242 2.379 9.635 1.00 0.33 C ATOM 232 O CYS A 18 1.575 2.016 8.507 1.00 0.37 O ATOM 233 CB CYS A 18 1.816 0.674 11.436 1.00 0.59 C ATOM 234 SG CYS A 18 3.305 0.004 12.212 1.00 2.06 S ATOM 0 H CYS A 18 1.475 2.725 12.682 1.00 0.47 H new ATOM 0 HA CYS A 18 3.159 2.025 10.485 1.00 0.43 H new ATOM 0 HB2 CYS A 18 1.016 0.759 12.172 1.00 0.59 H new ATOM 0 HB3 CYS A 18 1.462 -0.003 10.658 1.00 0.59 H new ATOM 0 HG CYS A 18 3.041 -1.162 12.723 1.00 2.06 H new ATOM 240 N ALA A 19 0.146 3.113 9.860 1.00 0.46 N ATOM 241 CA ALA A 19 -0.661 3.620 8.772 1.00 0.48 C ATOM 242 C ALA A 19 0.158 4.596 7.941 1.00 0.42 C ATOM 243 O ALA A 19 0.252 4.451 6.725 1.00 0.47 O ATOM 244 CB ALA A 19 -1.969 4.231 9.284 1.00 0.61 C ATOM 0 H ALA A 19 -0.193 3.363 10.789 1.00 0.46 H new ATOM 0 HA ALA A 19 -0.952 2.793 8.124 1.00 0.48 H new ATOM 0 HB1 ALA A 19 -2.552 4.602 8.441 1.00 0.61 H new ATOM 0 HB2 ALA A 19 -2.542 3.471 9.815 1.00 0.61 H new ATOM 0 HB3 ALA A 19 -1.745 5.055 9.961 1.00 0.61 H new ATOM 250 N ARG A 20 0.817 5.561 8.589 1.00 0.40 N ATOM 251 CA ARG A 20 1.663 6.467 7.865 1.00 0.41 C ATOM 252 C ARG A 20 2.751 5.700 7.119 1.00 0.34 C ATOM 253 O ARG A 20 2.983 5.991 5.952 1.00 0.37 O ATOM 254 CB ARG A 20 2.176 7.602 8.737 1.00 0.48 C ATOM 255 CG ARG A 20 0.993 8.507 9.120 1.00 0.62 C ATOM 256 CD ARG A 20 1.211 9.240 10.446 1.00 0.85 C ATOM 257 NE ARG A 20 0.052 10.101 10.733 1.00 1.29 N ATOM 258 CZ ARG A 20 -0.251 10.634 11.927 1.00 1.71 C ATOM 259 NH1 ARG A 20 0.558 10.431 12.973 1.00 2.59 N ATOM 260 NH2 ARG A 20 -1.363 11.365 12.068 1.00 2.27 N ATOM 0 H ARG A 20 0.772 5.720 9.595 1.00 0.40 H new ATOM 0 HA ARG A 20 1.066 6.968 7.103 1.00 0.41 H new ATOM 0 HB2 ARG A 20 2.652 7.204 9.633 1.00 0.48 H new ATOM 0 HB3 ARG A 20 2.933 8.176 8.202 1.00 0.48 H new ATOM 0 HG2 ARG A 20 0.830 9.238 8.328 1.00 0.62 H new ATOM 0 HG3 ARG A 20 0.088 7.904 9.188 1.00 0.62 H new ATOM 0 HD2 ARG A 20 1.350 8.520 11.252 1.00 0.85 H new ATOM 0 HD3 ARG A 20 2.119 9.841 10.396 1.00 0.85 H new ATOM 0 HE ARG A 20 -0.576 10.311 9.957 1.00 1.29 H new ATOM 0 HH11 ARG A 20 1.404 9.872 12.863 1.00 2.59 H new ATOM 0 HH12 ARG A 20 0.329 10.835 13.881 1.00 2.59 H new ATOM 0 HH21 ARG A 20 -1.979 11.516 11.269 1.00 2.27 H new ATOM 0 HH22 ARG A 20 -1.595 11.771 12.975 1.00 2.27 H new ATOM 274 N LYS A 21 3.380 4.689 7.730 1.00 0.27 N ATOM 275 CA LYS A 21 4.318 3.848 6.991 1.00 0.32 C ATOM 276 C LYS A 21 3.764 3.431 5.621 1.00 0.33 C ATOM 277 O LYS A 21 4.494 3.520 4.641 1.00 0.34 O ATOM 278 CB LYS A 21 4.735 2.616 7.800 1.00 0.56 C ATOM 279 CG LYS A 21 6.090 2.755 8.501 1.00 0.95 C ATOM 280 CD LYS A 21 5.988 3.627 9.757 1.00 1.15 C ATOM 281 CE LYS A 21 7.363 3.721 10.435 1.00 1.76 C ATOM 282 NZ LYS A 21 7.272 4.285 11.796 1.00 3.14 N ATOM 0 H LYS A 21 3.259 4.440 8.712 1.00 0.27 H new ATOM 0 HA LYS A 21 5.206 4.456 6.819 1.00 0.32 H new ATOM 0 HB2 LYS A 21 3.970 2.411 8.549 1.00 0.56 H new ATOM 0 HB3 LYS A 21 4.769 1.753 7.135 1.00 0.56 H new ATOM 0 HG2 LYS A 21 6.463 1.767 8.772 1.00 0.95 H new ATOM 0 HG3 LYS A 21 6.814 3.191 7.812 1.00 0.95 H new ATOM 0 HD2 LYS A 21 5.634 4.623 9.492 1.00 1.15 H new ATOM 0 HD3 LYS A 21 5.259 3.203 10.448 1.00 1.15 H new ATOM 0 HE2 LYS A 21 7.812 2.729 10.483 1.00 1.76 H new ATOM 0 HE3 LYS A 21 8.024 4.341 9.829 1.00 1.76 H new ATOM 0 HZ1 LYS A 21 8.222 4.331 12.217 1.00 3.14 H new ATOM 0 HZ2 LYS A 21 6.868 5.242 11.749 1.00 3.14 H new ATOM 0 HZ3 LYS A 21 6.662 3.680 12.382 1.00 3.14 H new ATOM 296 N VAL A 22 2.494 3.019 5.519 1.00 0.45 N ATOM 297 CA VAL A 22 1.915 2.676 4.234 1.00 0.57 C ATOM 298 C VAL A 22 1.910 3.880 3.305 1.00 0.55 C ATOM 299 O VAL A 22 2.459 3.813 2.206 1.00 0.62 O ATOM 300 CB VAL A 22 0.471 2.211 4.411 1.00 0.76 C ATOM 301 CG1 VAL A 22 -0.169 1.982 3.047 1.00 0.87 C ATOM 302 CG2 VAL A 22 0.400 0.899 5.191 1.00 0.85 C ATOM 0 H VAL A 22 1.859 2.919 6.311 1.00 0.45 H new ATOM 0 HA VAL A 22 2.521 1.879 3.803 1.00 0.57 H new ATOM 0 HB VAL A 22 -0.057 2.988 4.963 1.00 0.76 H new ATOM 0 HG11 VAL A 22 -1.199 1.650 3.179 1.00 0.87 H new ATOM 0 HG12 VAL A 22 -0.157 2.912 2.479 1.00 0.87 H new ATOM 0 HG13 VAL A 22 0.391 1.219 2.506 1.00 0.87 H new ATOM 0 HG21 VAL A 22 -0.641 0.596 5.299 1.00 0.85 H new ATOM 0 HG22 VAL A 22 0.949 0.126 4.653 1.00 0.85 H new ATOM 0 HG23 VAL A 22 0.842 1.038 6.178 1.00 0.85 H new ATOM 312 N GLU A 23 1.218 4.956 3.699 1.00 0.52 N ATOM 313 CA GLU A 23 0.970 6.026 2.750 1.00 0.58 C ATOM 314 C GLU A 23 2.334 6.563 2.321 1.00 0.52 C ATOM 315 O GLU A 23 2.562 6.825 1.157 1.00 0.63 O ATOM 316 CB GLU A 23 0.008 7.103 3.280 1.00 0.63 C ATOM 317 CG GLU A 23 0.675 7.865 4.421 1.00 0.60 C ATOM 318 CD GLU A 23 -0.082 9.087 4.902 1.00 0.83 C ATOM 319 OE1 GLU A 23 -0.025 10.090 4.154 1.00 2.06 O ATOM 320 OE2 GLU A 23 -0.613 9.030 6.030 1.00 1.68 O ATOM 0 H GLU A 23 0.836 5.100 4.634 1.00 0.52 H new ATOM 0 HA GLU A 23 0.438 5.644 1.879 1.00 0.58 H new ATOM 0 HB2 GLU A 23 -0.262 7.791 2.478 1.00 0.63 H new ATOM 0 HB3 GLU A 23 -0.916 6.641 3.628 1.00 0.63 H new ATOM 0 HG2 GLU A 23 0.810 7.185 5.262 1.00 0.60 H new ATOM 0 HG3 GLU A 23 1.669 8.175 4.099 1.00 0.60 H new ATOM 327 N ASN A 24 3.285 6.653 3.247 1.00 0.37 N ATOM 328 CA ASN A 24 4.615 7.163 2.982 1.00 0.34 C ATOM 329 C ASN A 24 5.405 6.182 2.112 1.00 0.31 C ATOM 330 O ASN A 24 6.123 6.607 1.205 1.00 0.33 O ATOM 331 CB ASN A 24 5.309 7.480 4.303 1.00 0.35 C ATOM 332 CG ASN A 24 4.726 8.737 4.962 1.00 0.43 C ATOM 333 OD1 ASN A 24 5.300 9.817 4.874 1.00 0.59 O ATOM 334 ND2 ASN A 24 3.567 8.608 5.604 1.00 0.40 N ATOM 0 H ASN A 24 3.145 6.367 4.216 1.00 0.37 H new ATOM 0 HA ASN A 24 4.552 8.091 2.414 1.00 0.34 H new ATOM 0 HB2 ASN A 24 5.206 6.633 4.981 1.00 0.35 H new ATOM 0 HB3 ASN A 24 6.376 7.621 4.129 1.00 0.35 H new ATOM 0 HD21 ASN A 24 3.132 9.421 6.040 1.00 0.40 H new ATOM 0 HD22 ASN A 24 3.114 7.696 5.660 1.00 0.40 H new ATOM 341 N ALA A 25 5.252 4.873 2.354 1.00 0.30 N ATOM 342 CA ALA A 25 5.806 3.818 1.513 1.00 0.30 C ATOM 343 C ALA A 25 5.382 3.965 0.057 1.00 0.30 C ATOM 344 O ALA A 25 6.109 3.498 -0.815 1.00 0.31 O ATOM 345 CB ALA A 25 5.449 2.427 2.048 1.00 0.41 C ATOM 0 H ALA A 25 4.730 4.518 3.155 1.00 0.30 H new ATOM 0 HA ALA A 25 6.890 3.925 1.549 1.00 0.30 H new ATOM 0 HB1 ALA A 25 5.878 1.666 1.397 1.00 0.41 H new ATOM 0 HB2 ALA A 25 5.849 2.311 3.055 1.00 0.41 H new ATOM 0 HB3 ALA A 25 4.365 2.314 2.073 1.00 0.41 H new ATOM 351 N VAL A 26 4.241 4.608 -0.223 1.00 0.34 N ATOM 352 CA VAL A 26 3.784 4.833 -1.582 1.00 0.37 C ATOM 353 C VAL A 26 3.996 6.276 -2.063 1.00 0.34 C ATOM 354 O VAL A 26 4.361 6.517 -3.208 1.00 0.38 O ATOM 355 CB VAL A 26 2.344 4.344 -1.720 1.00 0.44 C ATOM 356 CG1 VAL A 26 2.204 2.917 -1.178 1.00 1.72 C ATOM 357 CG2 VAL A 26 1.266 5.197 -1.072 1.00 1.88 C ATOM 0 H VAL A 26 3.617 4.983 0.491 1.00 0.34 H new ATOM 0 HA VAL A 26 4.405 4.245 -2.257 1.00 0.37 H new ATOM 0 HB VAL A 26 2.168 4.405 -2.794 1.00 0.44 H new ATOM 0 HG11 VAL A 26 1.171 2.587 -1.285 1.00 1.72 H new ATOM 0 HG12 VAL A 26 2.858 2.249 -1.738 1.00 1.72 H new ATOM 0 HG13 VAL A 26 2.483 2.899 -0.124 1.00 1.72 H new ATOM 0 HG21 VAL A 26 0.290 4.742 -1.242 1.00 1.88 H new ATOM 0 HG22 VAL A 26 1.452 5.266 -0.000 1.00 1.88 H new ATOM 0 HG23 VAL A 26 1.281 6.196 -1.508 1.00 1.88 H new ATOM 367 N ARG A 27 3.811 7.256 -1.184 1.00 0.30 N ATOM 368 CA ARG A 27 4.002 8.676 -1.486 1.00 0.32 C ATOM 369 C ARG A 27 5.428 8.917 -1.991 1.00 0.31 C ATOM 370 O ARG A 27 5.663 9.827 -2.779 1.00 0.39 O ATOM 371 CB ARG A 27 3.717 9.555 -0.252 1.00 0.33 C ATOM 372 CG ARG A 27 2.221 9.689 0.092 1.00 0.58 C ATOM 373 CD ARG A 27 1.955 10.330 1.460 1.00 0.87 C ATOM 374 NE ARG A 27 2.405 11.726 1.503 1.00 0.97 N ATOM 375 CZ ARG A 27 2.124 12.596 2.489 1.00 1.39 C ATOM 376 NH1 ARG A 27 1.361 12.240 3.527 1.00 2.39 N ATOM 377 NH2 ARG A 27 2.616 13.839 2.422 1.00 1.92 N ATOM 0 H ARG A 27 3.518 7.085 -0.222 1.00 0.30 H new ATOM 0 HA ARG A 27 3.293 8.955 -2.266 1.00 0.32 H new ATOM 0 HB2 ARG A 27 4.241 9.137 0.608 1.00 0.33 H new ATOM 0 HB3 ARG A 27 4.130 10.549 -0.424 1.00 0.33 H new ATOM 0 HG2 ARG A 27 1.732 10.285 -0.679 1.00 0.58 H new ATOM 0 HG3 ARG A 27 1.763 8.700 0.069 1.00 0.58 H new ATOM 0 HD2 ARG A 27 0.889 10.285 1.682 1.00 0.87 H new ATOM 0 HD3 ARG A 27 2.466 9.759 2.235 1.00 0.87 H new ATOM 0 HE ARG A 27 2.974 12.062 0.726 1.00 0.97 H new ATOM 0 HH11 ARG A 27 0.981 11.295 3.580 1.00 2.39 H new ATOM 0 HH12 ARG A 27 1.158 12.913 4.266 1.00 2.39 H new ATOM 0 HH21 ARG A 27 3.196 14.116 1.630 1.00 1.92 H new ATOM 0 HH22 ARG A 27 2.411 14.509 3.163 1.00 1.92 H new ATOM 391 N GLN A 28 6.376 8.087 -1.545 1.00 0.30 N ATOM 392 CA GLN A 28 7.770 8.140 -1.958 1.00 0.33 C ATOM 393 C GLN A 28 7.996 7.745 -3.423 1.00 0.32 C ATOM 394 O GLN A 28 9.115 7.891 -3.903 1.00 0.36 O ATOM 395 CB GLN A 28 8.641 7.345 -0.983 1.00 0.37 C ATOM 396 CG GLN A 28 8.396 5.831 -1.023 1.00 0.32 C ATOM 397 CD GLN A 28 9.085 5.149 0.153 1.00 0.40 C ATOM 398 OE1 GLN A 28 9.962 4.310 -0.020 1.00 0.50 O ATOM 399 NE2 GLN A 28 8.712 5.529 1.369 1.00 0.53 N ATOM 0 H GLN A 28 6.185 7.345 -0.872 1.00 0.30 H new ATOM 0 HA GLN A 28 8.080 9.184 -1.914 1.00 0.33 H new ATOM 0 HB2 GLN A 28 9.690 7.539 -1.207 1.00 0.37 H new ATOM 0 HB3 GLN A 28 8.459 7.706 0.029 1.00 0.37 H new ATOM 0 HG2 GLN A 28 7.325 5.629 -0.992 1.00 0.32 H new ATOM 0 HG3 GLN A 28 8.771 5.420 -1.960 1.00 0.32 H new ATOM 0 HE21 GLN A 28 7.979 6.229 1.482 1.00 0.53 H new ATOM 0 HE22 GLN A 28 9.158 5.121 2.190 1.00 0.53 H new ATOM 408 N LEU A 29 6.997 7.150 -4.091 1.00 0.31 N ATOM 409 CA LEU A 29 7.093 6.704 -5.470 1.00 0.32 C ATOM 410 C LEU A 29 7.147 7.929 -6.397 1.00 0.36 C ATOM 411 O LEU A 29 8.096 8.706 -6.361 1.00 0.46 O ATOM 412 CB LEU A 29 5.925 5.749 -5.775 1.00 0.34 C ATOM 413 CG LEU A 29 5.764 4.466 -4.921 1.00 0.44 C ATOM 414 CD1 LEU A 29 5.771 3.258 -5.836 1.00 0.37 C ATOM 415 CD2 LEU A 29 6.767 4.125 -3.814 1.00 0.68 C ATOM 0 H LEU A 29 6.086 6.966 -3.671 1.00 0.31 H new ATOM 0 HA LEU A 29 8.011 6.142 -5.642 1.00 0.32 H new ATOM 0 HB2 LEU A 29 5.001 6.321 -5.689 1.00 0.34 H new ATOM 0 HB3 LEU A 29 6.014 5.442 -6.817 1.00 0.34 H new ATOM 0 HG LEU A 29 4.838 4.699 -4.396 1.00 0.44 H new ATOM 0 HD11 LEU A 29 5.658 2.351 -5.242 1.00 0.37 H new ATOM 0 HD12 LEU A 29 4.946 3.333 -6.544 1.00 0.37 H new ATOM 0 HD13 LEU A 29 6.714 3.220 -6.381 1.00 0.37 H new ATOM 0 HD21 LEU A 29 6.477 3.189 -3.336 1.00 0.68 H new ATOM 0 HD22 LEU A 29 7.763 4.019 -4.245 1.00 0.68 H new ATOM 0 HD23 LEU A 29 6.776 4.924 -3.072 1.00 0.68 H new ATOM 427 N ALA A 30 6.133 8.105 -7.245 1.00 0.35 N ATOM 428 CA ALA A 30 6.033 9.201 -8.200 1.00 0.37 C ATOM 429 C ALA A 30 4.691 9.095 -8.915 1.00 0.37 C ATOM 430 O ALA A 30 3.961 10.072 -9.038 1.00 0.37 O ATOM 431 CB ALA A 30 7.172 9.136 -9.227 1.00 0.42 C ATOM 0 H ALA A 30 5.337 7.468 -7.285 1.00 0.35 H new ATOM 0 HA ALA A 30 6.110 10.150 -7.670 1.00 0.37 H new ATOM 0 HB1 ALA A 30 7.076 9.964 -9.929 1.00 0.42 H new ATOM 0 HB2 ALA A 30 8.130 9.206 -8.712 1.00 0.42 H new ATOM 0 HB3 ALA A 30 7.119 8.192 -9.770 1.00 0.42 H new ATOM 437 N GLY A 31 4.378 7.886 -9.387 1.00 0.38 N ATOM 438 CA GLY A 31 3.184 7.647 -10.193 1.00 0.42 C ATOM 439 C GLY A 31 1.896 7.654 -9.370 1.00 0.41 C ATOM 440 O GLY A 31 0.808 7.831 -9.915 1.00 0.54 O ATOM 0 H GLY A 31 4.942 7.052 -9.222 1.00 0.38 H new ATOM 0 HA2 GLY A 31 3.117 8.410 -10.968 1.00 0.42 H new ATOM 0 HA3 GLY A 31 3.280 6.686 -10.699 1.00 0.42 H new ATOM 444 N VAL A 32 2.013 7.405 -8.064 1.00 0.33 N ATOM 445 CA VAL A 32 0.917 7.480 -7.106 1.00 0.33 C ATOM 446 C VAL A 32 0.148 8.800 -7.218 1.00 0.41 C ATOM 447 O VAL A 32 0.761 9.858 -7.340 1.00 0.56 O ATOM 448 CB VAL A 32 1.531 7.304 -5.707 1.00 0.43 C ATOM 449 CG1 VAL A 32 0.591 7.757 -4.588 1.00 0.72 C ATOM 450 CG2 VAL A 32 1.901 5.831 -5.510 1.00 0.52 C ATOM 0 H VAL A 32 2.899 7.138 -7.635 1.00 0.33 H new ATOM 0 HA VAL A 32 0.186 6.697 -7.308 1.00 0.33 H new ATOM 0 HB VAL A 32 2.417 7.937 -5.650 1.00 0.43 H new ATOM 0 HG11 VAL A 32 1.076 7.610 -3.623 1.00 0.72 H new ATOM 0 HG12 VAL A 32 0.354 8.813 -4.717 1.00 0.72 H new ATOM 0 HG13 VAL A 32 -0.328 7.171 -4.625 1.00 0.72 H new ATOM 0 HG21 VAL A 32 2.338 5.695 -4.521 1.00 0.52 H new ATOM 0 HG22 VAL A 32 1.006 5.216 -5.599 1.00 0.52 H new ATOM 0 HG23 VAL A 32 2.624 5.533 -6.270 1.00 0.52 H new ATOM 460 N ASN A 33 -1.188 8.731 -7.113 1.00 0.41 N ATOM 461 CA ASN A 33 -2.059 9.899 -7.045 1.00 0.55 C ATOM 462 C ASN A 33 -2.942 9.892 -5.784 1.00 0.62 C ATOM 463 O ASN A 33 -2.847 10.829 -4.994 1.00 0.80 O ATOM 464 CB ASN A 33 -2.812 10.126 -8.373 1.00 0.70 C ATOM 465 CG ASN A 33 -3.765 9.005 -8.791 1.00 1.63 C ATOM 466 OD1 ASN A 33 -4.741 8.723 -8.105 1.00 3.51 O ATOM 467 ND2 ASN A 33 -3.553 8.373 -9.938 1.00 1.06 N ATOM 0 H ASN A 33 -1.694 7.846 -7.073 1.00 0.41 H new ATOM 0 HA ASN A 33 -1.434 10.784 -6.927 1.00 0.55 H new ATOM 0 HB2 ASN A 33 -3.381 11.052 -8.294 1.00 0.70 H new ATOM 0 HB3 ASN A 33 -2.078 10.270 -9.166 1.00 0.70 H new ATOM 0 HD21 ASN A 33 -4.203 7.651 -10.250 1.00 1.06 H new ATOM 0 HD22 ASN A 33 -2.740 8.609 -10.508 1.00 1.06 H new ATOM 474 N GLN A 34 -3.813 8.893 -5.577 1.00 0.77 N ATOM 475 CA GLN A 34 -4.928 8.994 -4.617 1.00 1.04 C ATOM 476 C GLN A 34 -5.107 7.701 -3.808 1.00 1.27 C ATOM 477 O GLN A 34 -6.018 6.906 -4.027 1.00 2.44 O ATOM 478 CB GLN A 34 -6.219 9.396 -5.350 1.00 1.12 C ATOM 479 CG GLN A 34 -6.160 10.839 -5.880 1.00 1.56 C ATOM 480 CD GLN A 34 -7.184 11.090 -6.979 1.00 1.34 C ATOM 481 OE1 GLN A 34 -8.096 11.896 -6.825 1.00 1.75 O ATOM 482 NE2 GLN A 34 -7.023 10.414 -8.111 1.00 1.08 N ATOM 0 H GLN A 34 -3.767 7.998 -6.065 1.00 0.77 H new ATOM 0 HA GLN A 34 -4.688 9.774 -3.895 1.00 1.04 H new ATOM 0 HB2 GLN A 34 -6.391 8.712 -6.181 1.00 1.12 H new ATOM 0 HB3 GLN A 34 -7.067 9.294 -4.672 1.00 1.12 H new ATOM 0 HG2 GLN A 34 -6.334 11.534 -5.058 1.00 1.56 H new ATOM 0 HG3 GLN A 34 -5.160 11.043 -6.264 1.00 1.56 H new ATOM 0 HE21 GLN A 34 -6.253 9.751 -8.204 1.00 1.08 H new ATOM 0 HE22 GLN A 34 -7.669 10.558 -8.887 1.00 1.08 H new ATOM 491 N VAL A 35 -4.236 7.503 -2.825 1.00 0.51 N ATOM 492 CA VAL A 35 -4.124 6.275 -2.056 1.00 0.51 C ATOM 493 C VAL A 35 -5.172 6.273 -0.952 1.00 0.47 C ATOM 494 O VAL A 35 -5.475 7.318 -0.383 1.00 0.54 O ATOM 495 CB VAL A 35 -2.715 6.245 -1.449 1.00 0.58 C ATOM 496 CG1 VAL A 35 -2.480 5.098 -0.457 1.00 2.28 C ATOM 497 CG2 VAL A 35 -1.678 6.199 -2.574 1.00 2.76 C ATOM 0 H VAL A 35 -3.568 8.217 -2.534 1.00 0.51 H new ATOM 0 HA VAL A 35 -4.286 5.399 -2.685 1.00 0.51 H new ATOM 0 HB VAL A 35 -2.609 7.159 -0.865 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -1.460 5.150 -0.075 1.00 2.28 H new ATOM 0 HG12 VAL A 35 -3.183 5.184 0.372 1.00 2.28 H new ATOM 0 HG13 VAL A 35 -2.630 4.144 -0.962 1.00 2.28 H new ATOM 0 HG21 VAL A 35 -0.676 6.178 -2.145 1.00 2.76 H new ATOM 0 HG22 VAL A 35 -1.834 5.304 -3.176 1.00 2.76 H new ATOM 0 HG23 VAL A 35 -1.784 7.083 -3.203 1.00 2.76 H new ATOM 507 N GLN A 36 -5.703 5.091 -0.630 1.00 0.39 N ATOM 508 CA GLN A 36 -6.636 4.918 0.462 1.00 0.44 C ATOM 509 C GLN A 36 -6.301 3.628 1.230 1.00 0.38 C ATOM 510 O GLN A 36 -6.608 2.513 0.807 1.00 0.49 O ATOM 511 CB GLN A 36 -8.060 4.996 -0.097 1.00 0.78 C ATOM 512 CG GLN A 36 -8.303 3.895 -1.127 1.00 1.34 C ATOM 513 CD GLN A 36 -8.994 4.341 -2.413 1.00 1.34 C ATOM 514 OE1 GLN A 36 -10.051 3.819 -2.761 1.00 2.00 O ATOM 515 NE2 GLN A 36 -8.360 5.228 -3.177 1.00 1.28 N ATOM 0 H GLN A 36 -5.490 4.227 -1.129 1.00 0.39 H new ATOM 0 HA GLN A 36 -6.556 5.715 1.202 1.00 0.44 H new ATOM 0 HB2 GLN A 36 -8.780 4.904 0.716 1.00 0.78 H new ATOM 0 HB3 GLN A 36 -8.222 5.971 -0.556 1.00 0.78 H new ATOM 0 HG2 GLN A 36 -7.344 3.446 -1.387 1.00 1.34 H new ATOM 0 HG3 GLN A 36 -8.905 3.114 -0.663 1.00 1.34 H new ATOM 0 HE21 GLN A 36 -7.484 5.642 -2.858 1.00 1.28 H new ATOM 0 HE22 GLN A 36 -8.750 5.493 -4.081 1.00 1.28 H new ATOM 524 N VAL A 37 -5.673 3.810 2.390 1.00 0.29 N ATOM 525 CA VAL A 37 -5.275 2.770 3.328 1.00 0.32 C ATOM 526 C VAL A 37 -6.405 2.602 4.344 1.00 0.34 C ATOM 527 O VAL A 37 -6.572 3.447 5.221 1.00 0.52 O ATOM 528 CB VAL A 37 -4.008 3.224 4.083 1.00 0.36 C ATOM 529 CG1 VAL A 37 -3.460 2.082 4.949 1.00 1.98 C ATOM 530 CG2 VAL A 37 -2.925 3.759 3.146 1.00 1.96 C ATOM 0 H VAL A 37 -5.415 4.741 2.716 1.00 0.29 H new ATOM 0 HA VAL A 37 -5.076 1.838 2.799 1.00 0.32 H new ATOM 0 HB VAL A 37 -4.302 4.051 4.729 1.00 0.36 H new ATOM 0 HG11 VAL A 37 -2.567 2.420 5.474 1.00 1.98 H new ATOM 0 HG12 VAL A 37 -4.215 1.781 5.675 1.00 1.98 H new ATOM 0 HG13 VAL A 37 -3.208 1.233 4.314 1.00 1.98 H new ATOM 0 HG21 VAL A 37 -2.057 4.064 3.730 1.00 1.96 H new ATOM 0 HG22 VAL A 37 -2.634 2.978 2.443 1.00 1.96 H new ATOM 0 HG23 VAL A 37 -3.311 4.617 2.596 1.00 1.96 H new ATOM 540 N LEU A 38 -7.183 1.521 4.255 1.00 0.44 N ATOM 541 CA LEU A 38 -8.247 1.263 5.197 1.00 0.45 C ATOM 542 C LEU A 38 -7.729 0.242 6.212 1.00 0.42 C ATOM 543 O LEU A 38 -8.072 -0.944 6.201 1.00 0.44 O ATOM 544 CB LEU A 38 -9.497 0.877 4.407 1.00 0.48 C ATOM 545 CG LEU A 38 -10.647 0.410 5.294 1.00 0.48 C ATOM 546 CD1 LEU A 38 -10.923 1.318 6.500 1.00 0.55 C ATOM 547 CD2 LEU A 38 -11.923 0.285 4.456 1.00 0.45 C ATOM 0 H LEU A 38 -7.085 0.811 3.529 1.00 0.44 H new ATOM 0 HA LEU A 38 -8.547 2.129 5.788 1.00 0.45 H new ATOM 0 HB2 LEU A 38 -9.825 1.733 3.818 1.00 0.48 H new ATOM 0 HB3 LEU A 38 -9.244 0.084 3.703 1.00 0.48 H new ATOM 0 HG LEU A 38 -10.341 -0.555 5.699 1.00 0.48 H new ATOM 0 HD11 LEU A 38 -11.755 0.914 7.077 1.00 0.55 H new ATOM 0 HD12 LEU A 38 -10.035 1.367 7.130 1.00 0.55 H new ATOM 0 HD13 LEU A 38 -11.176 2.319 6.151 1.00 0.55 H new ATOM 0 HD21 LEU A 38 -12.744 -0.049 5.091 1.00 0.45 H new ATOM 0 HD22 LEU A 38 -12.170 1.254 4.023 1.00 0.45 H new ATOM 0 HD23 LEU A 38 -11.764 -0.440 3.657 1.00 0.45 H new ATOM 559 N PHE A 39 -6.890 0.751 7.117 1.00 0.97 N ATOM 560 CA PHE A 39 -6.554 0.072 8.355 1.00 1.07 C ATOM 561 C PHE A 39 -7.854 -0.119 9.139 1.00 1.21 C ATOM 562 O PHE A 39 -8.380 0.848 9.682 1.00 2.18 O ATOM 563 CB PHE A 39 -5.517 0.896 9.131 1.00 1.87 C ATOM 564 CG PHE A 39 -5.342 0.555 10.593 1.00 0.94 C ATOM 565 CD1 PHE A 39 -5.394 -0.782 11.018 1.00 2.27 C ATOM 566 CD2 PHE A 39 -5.059 1.574 11.520 1.00 1.62 C ATOM 567 CE1 PHE A 39 -5.317 -1.088 12.383 1.00 3.31 C ATOM 568 CE2 PHE A 39 -4.911 1.260 12.882 1.00 2.29 C ATOM 569 CZ PHE A 39 -5.053 -0.070 13.318 1.00 3.05 C ATOM 0 H PHE A 39 -6.426 1.652 7.004 1.00 0.97 H new ATOM 0 HA PHE A 39 -6.104 -0.904 8.172 1.00 1.07 H new ATOM 0 HB2 PHE A 39 -4.552 0.783 8.636 1.00 1.87 H new ATOM 0 HB3 PHE A 39 -5.792 1.948 9.057 1.00 1.87 H new ATOM 0 HD1 PHE A 39 -5.493 -1.575 10.292 1.00 2.27 H new ATOM 0 HD2 PHE A 39 -4.956 2.596 11.186 1.00 1.62 H new ATOM 0 HE1 PHE A 39 -5.460 -2.105 12.718 1.00 3.31 H new ATOM 0 HE2 PHE A 39 -4.688 2.040 13.594 1.00 2.29 H new ATOM 0 HZ PHE A 39 -4.960 -0.309 14.367 1.00 3.05 H new ATOM 579 N ALA A 40 -8.362 -1.357 9.120 1.00 1.06 N ATOM 580 CA ALA A 40 -9.599 -1.859 9.722 1.00 1.27 C ATOM 581 C ALA A 40 -10.245 -2.896 8.803 1.00 1.10 C ATOM 582 O ALA A 40 -10.928 -3.791 9.292 1.00 1.58 O ATOM 583 CB ALA A 40 -10.622 -0.768 10.058 1.00 1.74 C ATOM 0 H ALA A 40 -7.867 -2.105 8.634 1.00 1.06 H new ATOM 0 HA ALA A 40 -9.306 -2.309 10.670 1.00 1.27 H new ATOM 0 HB1 ALA A 40 -11.508 -1.224 10.500 1.00 1.74 H new ATOM 0 HB2 ALA A 40 -10.184 -0.065 10.766 1.00 1.74 H new ATOM 0 HB3 ALA A 40 -10.902 -0.239 9.147 1.00 1.74 H new ATOM 589 N THR A 41 -10.047 -2.783 7.484 1.00 0.77 N ATOM 590 CA THR A 41 -10.567 -3.749 6.514 1.00 0.55 C ATOM 591 C THR A 41 -9.415 -4.291 5.672 1.00 0.76 C ATOM 592 O THR A 41 -9.557 -4.447 4.463 1.00 1.44 O ATOM 593 CB THR A 41 -11.684 -3.108 5.675 1.00 0.74 C ATOM 594 OG1 THR A 41 -12.470 -2.274 6.505 1.00 0.93 O ATOM 595 CG2 THR A 41 -12.611 -4.155 5.048 1.00 1.19 C ATOM 0 H THR A 41 -9.521 -2.018 7.061 1.00 0.77 H new ATOM 0 HA THR A 41 -11.018 -4.599 7.026 1.00 0.55 H new ATOM 0 HB THR A 41 -11.205 -2.543 4.875 1.00 0.74 H new ATOM 0 HG1 THR A 41 -13.271 -1.989 6.018 1.00 0.93 H new ATOM 0 HG21 THR A 41 -13.384 -3.654 4.465 1.00 1.19 H new ATOM 0 HG22 THR A 41 -12.032 -4.810 4.397 1.00 1.19 H new ATOM 0 HG23 THR A 41 -13.077 -4.747 5.836 1.00 1.19 H new ATOM 603 N GLU A 42 -8.269 -4.501 6.337 1.00 0.69 N ATOM 604 CA GLU A 42 -7.002 -5.022 5.827 1.00 0.96 C ATOM 605 C GLU A 42 -6.653 -4.592 4.397 1.00 0.69 C ATOM 606 O GLU A 42 -5.933 -5.301 3.694 1.00 0.85 O ATOM 607 CB GLU A 42 -6.936 -6.547 6.029 1.00 1.54 C ATOM 608 CG GLU A 42 -8.113 -7.343 5.439 1.00 3.83 C ATOM 609 CD GLU A 42 -9.298 -7.448 6.394 1.00 4.65 C ATOM 610 OE1 GLU A 42 -9.080 -7.984 7.501 1.00 4.66 O ATOM 611 OE2 GLU A 42 -10.397 -6.999 6.004 1.00 5.77 O ATOM 0 H GLU A 42 -8.205 -4.290 7.333 1.00 0.69 H new ATOM 0 HA GLU A 42 -6.217 -4.556 6.423 1.00 0.96 H new ATOM 0 HB2 GLU A 42 -6.011 -6.915 5.585 1.00 1.54 H new ATOM 0 HB3 GLU A 42 -6.880 -6.753 7.098 1.00 1.54 H new ATOM 0 HG2 GLU A 42 -8.439 -6.867 4.514 1.00 3.83 H new ATOM 0 HG3 GLU A 42 -7.773 -8.345 5.179 1.00 3.83 H new ATOM 618 N LYS A 43 -7.131 -3.428 3.954 1.00 0.45 N ATOM 619 CA LYS A 43 -7.156 -3.096 2.550 1.00 0.53 C ATOM 620 C LYS A 43 -6.142 -1.994 2.296 1.00 0.35 C ATOM 621 O LYS A 43 -6.205 -0.905 2.874 1.00 0.46 O ATOM 622 CB LYS A 43 -8.589 -2.762 2.108 1.00 0.84 C ATOM 623 CG LYS A 43 -8.644 -2.165 0.695 1.00 1.30 C ATOM 624 CD LYS A 43 -8.714 -0.636 0.794 1.00 0.95 C ATOM 625 CE LYS A 43 -10.162 -0.158 0.936 1.00 0.62 C ATOM 626 NZ LYS A 43 -10.827 0.005 -0.373 1.00 1.41 N ATOM 0 H LYS A 43 -7.507 -2.701 4.563 1.00 0.45 H new ATOM 0 HA LYS A 43 -6.861 -3.945 1.933 1.00 0.53 H new ATOM 0 HB2 LYS A 43 -9.196 -3.667 2.141 1.00 0.84 H new ATOM 0 HB3 LYS A 43 -9.029 -2.058 2.814 1.00 0.84 H new ATOM 0 HG2 LYS A 43 -7.763 -2.464 0.127 1.00 1.30 H new ATOM 0 HG3 LYS A 43 -9.514 -2.547 0.160 1.00 1.30 H new ATOM 0 HD2 LYS A 43 -8.130 -0.297 1.650 1.00 0.95 H new ATOM 0 HD3 LYS A 43 -8.266 -0.190 -0.094 1.00 0.95 H new ATOM 0 HE2 LYS A 43 -10.721 -0.873 1.539 1.00 0.62 H new ATOM 0 HE3 LYS A 43 -10.178 0.792 1.471 1.00 0.62 H new ATOM 0 HZ1 LYS A 43 -11.804 0.330 -0.228 1.00 1.41 H new ATOM 0 HZ2 LYS A 43 -10.310 0.707 -0.940 1.00 1.41 H new ATOM 0 HZ3 LYS A 43 -10.836 -0.906 -0.874 1.00 1.41 H new ATOM 640 N LEU A 44 -5.244 -2.297 1.366 1.00 0.25 N ATOM 641 CA LEU A 44 -4.363 -1.352 0.728 1.00 0.34 C ATOM 642 C LEU A 44 -5.049 -1.013 -0.572 1.00 0.30 C ATOM 643 O LEU A 44 -5.328 -1.943 -1.323 1.00 0.37 O ATOM 644 CB LEU A 44 -3.032 -2.066 0.429 1.00 0.53 C ATOM 645 CG LEU A 44 -1.762 -1.406 0.958 1.00 0.85 C ATOM 646 CD1 LEU A 44 -1.133 -0.461 -0.067 1.00 0.63 C ATOM 647 CD2 LEU A 44 -2.023 -0.645 2.248 1.00 1.49 C ATOM 0 H LEU A 44 -5.112 -3.250 1.028 1.00 0.25 H new ATOM 0 HA LEU A 44 -4.164 -0.468 1.334 1.00 0.34 H new ATOM 0 HB2 LEU A 44 -3.087 -3.074 0.840 1.00 0.53 H new ATOM 0 HB3 LEU A 44 -2.937 -2.168 -0.652 1.00 0.53 H new ATOM 0 HG LEU A 44 -1.061 -2.217 1.157 1.00 0.85 H new ATOM 0 HD11 LEU A 44 -0.232 -0.015 0.354 1.00 0.63 H new ATOM 0 HD12 LEU A 44 -0.875 -1.020 -0.967 1.00 0.63 H new ATOM 0 HD13 LEU A 44 -1.843 0.326 -0.320 1.00 0.63 H new ATOM 0 HD21 LEU A 44 -1.096 -0.188 2.595 1.00 1.49 H new ATOM 0 HD22 LEU A 44 -2.765 0.133 2.068 1.00 1.49 H new ATOM 0 HD23 LEU A 44 -2.395 -1.333 3.007 1.00 1.49 H new ATOM 659 N VAL A 45 -5.325 0.268 -0.841 1.00 0.25 N ATOM 660 CA VAL A 45 -5.564 0.696 -2.205 1.00 0.25 C ATOM 661 C VAL A 45 -4.670 1.857 -2.573 1.00 0.25 C ATOM 662 O VAL A 45 -4.557 2.825 -1.823 1.00 0.40 O ATOM 663 CB VAL A 45 -7.040 0.968 -2.501 1.00 0.32 C ATOM 664 CG1 VAL A 45 -7.239 1.872 -3.727 1.00 0.66 C ATOM 665 CG2 VAL A 45 -7.667 -0.368 -2.851 1.00 0.60 C ATOM 0 H VAL A 45 -5.386 1.007 -0.140 1.00 0.25 H new ATOM 0 HA VAL A 45 -5.297 -0.140 -2.852 1.00 0.25 H new ATOM 0 HB VAL A 45 -7.479 1.457 -1.632 1.00 0.32 H new ATOM 0 HG11 VAL A 45 -8.304 2.032 -3.892 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -6.750 2.831 -3.555 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -6.804 1.395 -4.605 1.00 0.66 H new ATOM 0 HG21 VAL A 45 -8.725 -0.227 -3.071 1.00 0.60 H new ATOM 0 HG22 VAL A 45 -7.167 -0.787 -3.724 1.00 0.60 H new ATOM 0 HG23 VAL A 45 -7.560 -1.052 -2.009 1.00 0.60 H new ATOM 675 N VAL A 46 -4.061 1.739 -3.750 1.00 0.24 N ATOM 676 CA VAL A 46 -3.203 2.732 -4.343 1.00 0.21 C ATOM 677 C VAL A 46 -3.756 3.019 -5.735 1.00 0.20 C ATOM 678 O VAL A 46 -3.813 2.111 -6.564 1.00 0.30 O ATOM 679 CB VAL A 46 -1.776 2.170 -4.361 1.00 0.28 C ATOM 680 CG1 VAL A 46 -0.836 3.070 -5.163 1.00 0.37 C ATOM 681 CG2 VAL A 46 -1.270 2.025 -2.919 1.00 0.29 C ATOM 0 H VAL A 46 -4.164 0.908 -4.333 1.00 0.24 H new ATOM 0 HA VAL A 46 -3.173 3.670 -3.789 1.00 0.21 H new ATOM 0 HB VAL A 46 -1.792 1.193 -4.845 1.00 0.28 H new ATOM 0 HG11 VAL A 46 0.168 2.645 -5.157 1.00 0.37 H new ATOM 0 HG12 VAL A 46 -1.192 3.145 -6.190 1.00 0.37 H new ATOM 0 HG13 VAL A 46 -0.812 4.063 -4.714 1.00 0.37 H new ATOM 0 HG21 VAL A 46 -0.256 1.626 -2.928 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -1.272 3.001 -2.433 1.00 0.29 H new ATOM 0 HG23 VAL A 46 -1.923 1.346 -2.371 1.00 0.29 H new ATOM 691 N ASP A 47 -4.172 4.268 -5.970 1.00 0.23 N ATOM 692 CA ASP A 47 -4.550 4.764 -7.282 1.00 0.22 C ATOM 693 C ASP A 47 -3.334 5.533 -7.830 1.00 0.20 C ATOM 694 O ASP A 47 -2.865 6.473 -7.177 1.00 0.31 O ATOM 695 CB ASP A 47 -5.831 5.616 -7.199 1.00 0.38 C ATOM 696 CG ASP A 47 -7.125 4.817 -6.973 1.00 1.16 C ATOM 697 OD1 ASP A 47 -7.427 4.441 -5.816 1.00 2.30 O ATOM 698 OD2 ASP A 47 -7.850 4.611 -7.970 1.00 1.96 O ATOM 0 H ASP A 47 -4.254 4.970 -5.234 1.00 0.23 H new ATOM 0 HA ASP A 47 -4.799 3.954 -7.967 1.00 0.22 H new ATOM 0 HB2 ASP A 47 -5.719 6.336 -6.388 1.00 0.38 H new ATOM 0 HB3 ASP A 47 -5.930 6.188 -8.122 1.00 0.38 H new ATOM 703 N ALA A 48 -2.777 5.084 -8.966 1.00 0.23 N ATOM 704 CA ALA A 48 -1.511 5.528 -9.550 1.00 0.26 C ATOM 705 C ALA A 48 -1.570 5.538 -11.087 1.00 0.34 C ATOM 706 O ALA A 48 -2.168 4.649 -11.703 1.00 0.51 O ATOM 707 CB ALA A 48 -0.383 4.591 -9.089 1.00 0.30 C ATOM 0 H ALA A 48 -3.226 4.362 -9.529 1.00 0.23 H new ATOM 0 HA ALA A 48 -1.320 6.547 -9.213 1.00 0.26 H new ATOM 0 HB1 ALA A 48 0.562 4.919 -9.522 1.00 0.30 H new ATOM 0 HB2 ALA A 48 -0.311 4.615 -8.002 1.00 0.30 H new ATOM 0 HB3 ALA A 48 -0.599 3.574 -9.416 1.00 0.30 H new ATOM 713 N ASP A 49 -0.905 6.512 -11.718 1.00 0.38 N ATOM 714 CA ASP A 49 -0.836 6.651 -13.174 1.00 0.53 C ATOM 715 C ASP A 49 0.379 5.883 -13.715 1.00 0.54 C ATOM 716 O ASP A 49 1.221 6.444 -14.409 1.00 0.71 O ATOM 717 CB ASP A 49 -0.762 8.140 -13.563 1.00 0.75 C ATOM 718 CG ASP A 49 -2.051 8.903 -13.300 1.00 1.01 C ATOM 719 OD1 ASP A 49 -2.290 9.208 -12.112 1.00 2.11 O ATOM 720 OD2 ASP A 49 -2.771 9.176 -14.289 1.00 1.73 O ATOM 0 H ASP A 49 -0.391 7.239 -11.220 1.00 0.38 H new ATOM 0 HA ASP A 49 -1.737 6.228 -13.617 1.00 0.53 H new ATOM 0 HB2 ASP A 49 0.049 8.612 -13.009 1.00 0.75 H new ATOM 0 HB3 ASP A 49 -0.513 8.218 -14.621 1.00 0.75 H new ATOM 725 N ASN A 50 0.444 4.580 -13.422 1.00 0.42 N ATOM 726 CA ASN A 50 1.445 3.609 -13.883 1.00 0.45 C ATOM 727 C ASN A 50 1.228 2.333 -13.078 1.00 0.58 C ATOM 728 O ASN A 50 0.522 2.407 -12.071 1.00 1.73 O ATOM 729 CB ASN A 50 2.903 4.089 -13.715 1.00 0.56 C ATOM 730 CG ASN A 50 3.350 4.433 -12.289 1.00 0.64 C ATOM 731 OD1 ASN A 50 2.526 4.234 -11.261 1.00 1.42 O flip ATOM 732 ND2 ASN A 50 4.473 4.886 -12.096 1.00 0.68 N flip ATOM 0 H ASN A 50 -0.250 4.144 -12.814 1.00 0.42 H new ATOM 0 HA ASN A 50 1.309 3.457 -14.954 1.00 0.45 H new ATOM 0 HB2 ASN A 50 3.564 3.314 -14.102 1.00 0.56 H new ATOM 0 HB3 ASN A 50 3.046 4.971 -14.339 1.00 0.56 H new ATOM 0 HD21 ASN A 50 5.104 5.038 -12.883 1.00 0.68 H new ATOM 0 HD22 ASN A 50 4.776 5.111 -11.148 1.00 0.68 H new ATOM 739 N ASP A 51 1.842 1.203 -13.443 1.00 0.76 N ATOM 740 CA ASP A 51 1.931 0.077 -12.518 1.00 0.64 C ATOM 741 C ASP A 51 3.131 0.281 -11.607 1.00 0.48 C ATOM 742 O ASP A 51 4.226 0.570 -12.088 1.00 0.63 O ATOM 743 CB ASP A 51 2.035 -1.275 -13.226 1.00 0.91 C ATOM 744 CG ASP A 51 1.835 -2.384 -12.197 1.00 2.15 C ATOM 745 OD1 ASP A 51 2.693 -2.529 -11.297 1.00 3.38 O ATOM 746 OD2 ASP A 51 0.771 -3.036 -12.265 1.00 2.81 O ATOM 0 H ASP A 51 2.275 1.048 -14.353 1.00 0.76 H new ATOM 0 HA ASP A 51 1.007 0.052 -11.941 1.00 0.64 H new ATOM 0 HB2 ASP A 51 1.283 -1.349 -14.012 1.00 0.91 H new ATOM 0 HB3 ASP A 51 3.008 -1.376 -13.706 1.00 0.91 H new ATOM 751 N ILE A 52 2.915 0.137 -10.300 1.00 0.35 N ATOM 752 CA ILE A 52 3.986 0.117 -9.316 1.00 0.33 C ATOM 753 C ILE A 52 3.688 -0.944 -8.255 1.00 0.30 C ATOM 754 O ILE A 52 4.092 -0.788 -7.107 1.00 0.34 O ATOM 755 CB ILE A 52 4.174 1.529 -8.713 1.00 0.43 C ATOM 756 CG1 ILE A 52 2.849 2.265 -8.454 1.00 0.43 C ATOM 757 CG2 ILE A 52 5.063 2.398 -9.613 1.00 0.61 C ATOM 758 CD1 ILE A 52 1.888 1.502 -7.543 1.00 0.60 C ATOM 0 H ILE A 52 1.984 0.031 -9.896 1.00 0.35 H new ATOM 0 HA ILE A 52 4.929 -0.154 -9.790 1.00 0.33 H new ATOM 0 HB ILE A 52 4.656 1.371 -7.748 1.00 0.43 H new ATOM 0 HG12 ILE A 52 3.065 3.236 -8.008 1.00 0.43 H new ATOM 0 HG13 ILE A 52 2.357 2.455 -9.408 1.00 0.43 H new ATOM 0 HG21 ILE A 52 5.179 3.385 -9.166 1.00 0.61 H new ATOM 0 HG22 ILE A 52 6.042 1.930 -9.718 1.00 0.61 H new ATOM 0 HG23 ILE A 52 4.601 2.497 -10.595 1.00 0.61 H new ATOM 0 HD11 ILE A 52 0.976 2.084 -7.407 1.00 0.60 H new ATOM 0 HD12 ILE A 52 1.641 0.542 -7.997 1.00 0.60 H new ATOM 0 HD13 ILE A 52 2.360 1.335 -6.575 1.00 0.60 H new ATOM 770 N ARG A 53 2.986 -2.031 -8.589 1.00 0.35 N ATOM 771 CA ARG A 53 2.470 -2.910 -7.536 1.00 0.37 C ATOM 772 C ARG A 53 3.597 -3.570 -6.767 1.00 0.31 C ATOM 773 O ARG A 53 3.633 -3.502 -5.541 1.00 0.30 O ATOM 774 CB ARG A 53 1.505 -3.963 -8.070 1.00 0.45 C ATOM 775 CG ARG A 53 0.387 -3.246 -8.811 1.00 0.48 C ATOM 776 CD ARG A 53 -0.803 -4.149 -9.129 1.00 0.55 C ATOM 777 NE ARG A 53 -0.434 -5.560 -9.329 1.00 0.87 N ATOM 778 CZ ARG A 53 -0.174 -6.146 -10.508 1.00 1.80 C ATOM 779 NH1 ARG A 53 0.015 -5.423 -11.615 1.00 2.84 N ATOM 780 NH2 ARG A 53 -0.106 -7.475 -10.592 1.00 2.21 N ATOM 0 H ARG A 53 2.768 -2.317 -9.544 1.00 0.35 H new ATOM 0 HA ARG A 53 1.908 -2.271 -6.855 1.00 0.37 H new ATOM 0 HB2 ARG A 53 2.024 -4.651 -8.737 1.00 0.45 H new ATOM 0 HB3 ARG A 53 1.099 -4.558 -7.251 1.00 0.45 H new ATOM 0 HG2 ARG A 53 0.045 -2.403 -8.210 1.00 0.48 H new ATOM 0 HG3 ARG A 53 0.781 -2.836 -9.741 1.00 0.48 H new ATOM 0 HD2 ARG A 53 -1.526 -4.083 -8.316 1.00 0.55 H new ATOM 0 HD3 ARG A 53 -1.298 -3.781 -10.027 1.00 0.55 H new ATOM 0 HE ARG A 53 -0.370 -6.145 -8.496 1.00 0.87 H new ATOM 0 HH11 ARG A 53 -0.037 -4.405 -11.574 1.00 2.84 H new ATOM 0 HH12 ARG A 53 0.211 -5.889 -12.501 1.00 2.84 H new ATOM 0 HH21 ARG A 53 -0.252 -8.047 -9.760 1.00 2.21 H new ATOM 0 HH22 ARG A 53 0.092 -7.920 -11.488 1.00 2.21 H new ATOM 794 N ALA A 54 4.542 -4.152 -7.506 1.00 0.35 N ATOM 795 CA ALA A 54 5.760 -4.701 -6.935 1.00 0.38 C ATOM 796 C ALA A 54 6.529 -3.613 -6.188 1.00 0.31 C ATOM 797 O ALA A 54 7.186 -3.883 -5.184 1.00 0.36 O ATOM 798 CB ALA A 54 6.618 -5.302 -8.047 1.00 0.50 C ATOM 0 H ALA A 54 4.479 -4.253 -8.519 1.00 0.35 H new ATOM 0 HA ALA A 54 5.505 -5.486 -6.223 1.00 0.38 H new ATOM 0 HB1 ALA A 54 7.532 -5.714 -7.619 1.00 0.50 H new ATOM 0 HB2 ALA A 54 6.062 -6.095 -8.547 1.00 0.50 H new ATOM 0 HB3 ALA A 54 6.873 -4.526 -8.769 1.00 0.50 H new ATOM 804 N GLN A 55 6.452 -2.363 -6.663 1.00 0.25 N ATOM 805 CA GLN A 55 7.181 -1.295 -6.007 1.00 0.23 C ATOM 806 C GLN A 55 6.569 -1.021 -4.645 1.00 0.22 C ATOM 807 O GLN A 55 7.283 -0.908 -3.648 1.00 0.25 O ATOM 808 CB GLN A 55 7.242 -0.037 -6.884 1.00 0.28 C ATOM 809 CG GLN A 55 8.637 0.179 -7.480 1.00 0.72 C ATOM 810 CD GLN A 55 9.007 -0.920 -8.468 1.00 2.17 C ATOM 811 OE1 GLN A 55 9.815 -1.790 -8.167 1.00 3.54 O ATOM 812 NE2 GLN A 55 8.422 -0.888 -9.662 1.00 2.36 N ATOM 0 H GLN A 55 5.906 -2.081 -7.477 1.00 0.25 H new ATOM 0 HA GLN A 55 8.214 -1.609 -5.856 1.00 0.23 H new ATOM 0 HB2 GLN A 55 6.512 -0.121 -7.689 1.00 0.28 H new ATOM 0 HB3 GLN A 55 6.963 0.833 -6.290 1.00 0.28 H new ATOM 0 HG2 GLN A 55 8.672 1.146 -7.982 1.00 0.72 H new ATOM 0 HG3 GLN A 55 9.374 0.210 -6.678 1.00 0.72 H new ATOM 0 HE21 GLN A 55 7.753 -0.150 -9.883 1.00 2.36 H new ATOM 0 HE22 GLN A 55 8.642 -1.601 -10.357 1.00 2.36 H new ATOM 821 N VAL A 56 5.244 -0.922 -4.598 1.00 0.20 N ATOM 822 CA VAL A 56 4.584 -0.631 -3.354 1.00 0.18 C ATOM 823 C VAL A 56 4.795 -1.827 -2.418 1.00 0.21 C ATOM 824 O VAL A 56 5.269 -1.669 -1.294 1.00 0.23 O ATOM 825 CB VAL A 56 3.113 -0.331 -3.635 1.00 0.20 C ATOM 826 CG1 VAL A 56 2.338 -0.333 -2.319 1.00 0.35 C ATOM 827 CG2 VAL A 56 3.039 1.084 -4.214 1.00 0.36 C ATOM 0 H VAL A 56 4.624 -1.039 -5.400 1.00 0.20 H new ATOM 0 HA VAL A 56 4.995 0.251 -2.862 1.00 0.18 H new ATOM 0 HB VAL A 56 2.697 -1.073 -4.317 1.00 0.20 H new ATOM 0 HG11 VAL A 56 1.287 -0.119 -2.515 1.00 0.35 H new ATOM 0 HG12 VAL A 56 2.427 -1.311 -1.846 1.00 0.35 H new ATOM 0 HG13 VAL A 56 2.746 0.430 -1.656 1.00 0.35 H new ATOM 0 HG21 VAL A 56 2.000 1.336 -4.428 1.00 0.36 H new ATOM 0 HG22 VAL A 56 3.443 1.794 -3.492 1.00 0.36 H new ATOM 0 HG23 VAL A 56 3.621 1.131 -5.134 1.00 0.36 H new ATOM 837 N GLU A 57 4.469 -3.031 -2.898 1.00 0.24 N ATOM 838 CA GLU A 57 4.670 -4.272 -2.161 1.00 0.28 C ATOM 839 C GLU A 57 6.056 -4.344 -1.552 1.00 0.33 C ATOM 840 O GLU A 57 6.150 -4.459 -0.337 1.00 0.38 O ATOM 841 CB GLU A 57 4.342 -5.465 -3.055 1.00 0.32 C ATOM 842 CG GLU A 57 4.839 -6.840 -2.588 1.00 0.43 C ATOM 843 CD GLU A 57 6.245 -7.193 -3.050 1.00 1.69 C ATOM 844 OE1 GLU A 57 6.615 -6.779 -4.168 1.00 2.78 O ATOM 845 OE2 GLU A 57 6.909 -7.906 -2.271 1.00 2.84 O ATOM 0 H GLU A 57 4.054 -3.168 -3.820 1.00 0.24 H new ATOM 0 HA GLU A 57 3.982 -4.300 -1.316 1.00 0.28 H new ATOM 0 HB2 GLU A 57 3.259 -5.516 -3.169 1.00 0.32 H new ATOM 0 HB3 GLU A 57 4.757 -5.272 -4.044 1.00 0.32 H new ATOM 0 HG2 GLU A 57 4.809 -6.872 -1.499 1.00 0.43 H new ATOM 0 HG3 GLU A 57 4.149 -7.603 -2.949 1.00 0.43 H new ATOM 852 N SER A 58 7.116 -4.222 -2.351 1.00 0.35 N ATOM 853 CA SER A 58 8.480 -4.225 -1.843 1.00 0.39 C ATOM 854 C SER A 58 8.627 -3.275 -0.645 1.00 0.40 C ATOM 855 O SER A 58 9.233 -3.622 0.372 1.00 0.41 O ATOM 856 CB SER A 58 9.430 -3.872 -2.994 1.00 0.41 C ATOM 857 OG SER A 58 10.781 -3.925 -2.577 1.00 0.66 O ATOM 0 H SER A 58 7.050 -4.119 -3.364 1.00 0.35 H new ATOM 0 HA SER A 58 8.739 -5.216 -1.471 1.00 0.39 H new ATOM 0 HB2 SER A 58 9.275 -4.564 -3.822 1.00 0.41 H new ATOM 0 HB3 SER A 58 9.200 -2.873 -3.365 1.00 0.41 H new ATOM 0 HG SER A 58 11.365 -3.697 -3.330 1.00 0.66 H new ATOM 863 N ALA A 59 8.028 -2.081 -0.727 1.00 0.43 N ATOM 864 CA ALA A 59 8.156 -1.078 0.310 1.00 0.39 C ATOM 865 C ALA A 59 7.401 -1.505 1.564 1.00 0.40 C ATOM 866 O ALA A 59 7.925 -1.380 2.667 1.00 0.46 O ATOM 867 CB ALA A 59 7.630 0.254 -0.211 1.00 0.35 C ATOM 0 H ALA A 59 7.446 -1.794 -1.514 1.00 0.43 H new ATOM 0 HA ALA A 59 9.207 -0.967 0.576 1.00 0.39 H new ATOM 0 HB1 ALA A 59 7.725 1.012 0.567 1.00 0.35 H new ATOM 0 HB2 ALA A 59 8.207 0.557 -1.085 1.00 0.35 H new ATOM 0 HB3 ALA A 59 6.581 0.148 -0.488 1.00 0.35 H new ATOM 873 N LEU A 60 6.171 -2.001 1.415 1.00 0.36 N ATOM 874 CA LEU A 60 5.369 -2.458 2.541 1.00 0.38 C ATOM 875 C LEU A 60 6.028 -3.656 3.211 1.00 0.41 C ATOM 876 O LEU A 60 6.090 -3.751 4.439 1.00 0.46 O ATOM 877 CB LEU A 60 3.956 -2.822 2.074 1.00 0.38 C ATOM 878 CG LEU A 60 3.051 -1.587 2.067 1.00 0.62 C ATOM 879 CD1 LEU A 60 3.270 -0.721 0.837 1.00 1.60 C ATOM 880 CD2 LEU A 60 1.583 -2.005 2.125 1.00 1.69 C ATOM 0 H LEU A 60 5.708 -2.095 0.511 1.00 0.36 H new ATOM 0 HA LEU A 60 5.299 -1.649 3.268 1.00 0.38 H new ATOM 0 HB2 LEU A 60 3.998 -3.253 1.074 1.00 0.38 H new ATOM 0 HB3 LEU A 60 3.535 -3.583 2.731 1.00 0.38 H new ATOM 0 HG LEU A 60 3.311 -1.000 2.948 1.00 0.62 H new ATOM 0 HD11 LEU A 60 2.606 0.142 0.877 1.00 1.60 H new ATOM 0 HD12 LEU A 60 4.305 -0.382 0.811 1.00 1.60 H new ATOM 0 HD13 LEU A 60 3.056 -1.302 -0.060 1.00 1.60 H new ATOM 0 HD21 LEU A 60 0.951 -1.117 2.119 1.00 1.69 H new ATOM 0 HD22 LEU A 60 1.346 -2.624 1.260 1.00 1.69 H new ATOM 0 HD23 LEU A 60 1.402 -2.573 3.038 1.00 1.69 H new ATOM 892 N GLN A 61 6.528 -4.574 2.392 1.00 0.41 N ATOM 893 CA GLN A 61 7.262 -5.717 2.908 1.00 0.53 C ATOM 894 C GLN A 61 8.455 -5.235 3.724 1.00 0.52 C ATOM 895 O GLN A 61 8.625 -5.644 4.871 1.00 0.56 O ATOM 896 CB GLN A 61 7.661 -6.674 1.780 1.00 0.62 C ATOM 897 CG GLN A 61 7.215 -8.110 2.093 1.00 0.83 C ATOM 898 CD GLN A 61 7.142 -8.907 0.803 1.00 0.98 C ATOM 899 OE1 GLN A 61 6.049 -8.711 0.078 1.00 2.19 O flip ATOM 900 NE2 GLN A 61 8.065 -9.634 0.453 1.00 0.68 N flip ATOM 0 H GLN A 61 6.438 -4.548 1.376 1.00 0.41 H new ATOM 0 HA GLN A 61 6.617 -6.290 3.574 1.00 0.53 H new ATOM 0 HB2 GLN A 61 7.211 -6.346 0.843 1.00 0.62 H new ATOM 0 HB3 GLN A 61 8.742 -6.647 1.641 1.00 0.62 H new ATOM 0 HG2 GLN A 61 7.916 -8.578 2.784 1.00 0.83 H new ATOM 0 HG3 GLN A 61 6.242 -8.102 2.584 1.00 0.83 H new ATOM 0 HE21 GLN A 61 8.882 -9.746 1.054 1.00 0.68 H new ATOM 0 HE22 GLN A 61 8.016 -10.127 -0.439 1.00 0.68 H new ATOM 909 N LYS A 62 9.251 -4.321 3.164 1.00 0.49 N ATOM 910 CA LYS A 62 10.400 -3.783 3.869 1.00 0.49 C ATOM 911 C LYS A 62 9.976 -3.019 5.131 1.00 0.48 C ATOM 912 O LYS A 62 10.676 -3.058 6.142 1.00 0.51 O ATOM 913 CB LYS A 62 11.253 -2.939 2.909 1.00 0.51 C ATOM 914 CG LYS A 62 12.622 -2.596 3.514 1.00 1.39 C ATOM 915 CD LYS A 62 12.614 -1.265 4.280 1.00 2.44 C ATOM 916 CE LYS A 62 13.706 -1.283 5.359 1.00 3.81 C ATOM 917 NZ LYS A 62 13.749 -0.022 6.126 1.00 4.88 N ATOM 0 H LYS A 62 9.115 -3.943 2.226 1.00 0.49 H new ATOM 0 HA LYS A 62 11.024 -4.605 4.220 1.00 0.49 H new ATOM 0 HB2 LYS A 62 11.394 -3.483 1.975 1.00 0.51 H new ATOM 0 HB3 LYS A 62 10.723 -2.019 2.665 1.00 0.51 H new ATOM 0 HG2 LYS A 62 12.928 -3.396 4.188 1.00 1.39 H new ATOM 0 HG3 LYS A 62 13.365 -2.548 2.718 1.00 1.39 H new ATOM 0 HD2 LYS A 62 12.783 -0.437 3.592 1.00 2.44 H new ATOM 0 HD3 LYS A 62 11.638 -1.104 4.739 1.00 2.44 H new ATOM 0 HE2 LYS A 62 13.529 -2.115 6.040 1.00 3.81 H new ATOM 0 HE3 LYS A 62 14.675 -1.455 4.891 1.00 3.81 H new ATOM 0 HZ1 LYS A 62 14.500 -0.077 6.843 1.00 4.88 H new ATOM 0 HZ2 LYS A 62 13.944 0.770 5.481 1.00 4.88 H new ATOM 0 HZ3 LYS A 62 12.833 0.131 6.595 1.00 4.88 H new ATOM 931 N ALA A 63 8.858 -2.286 5.069 1.00 0.47 N ATOM 932 CA ALA A 63 8.293 -1.569 6.206 1.00 0.49 C ATOM 933 C ALA A 63 7.944 -2.548 7.326 1.00 0.49 C ATOM 934 O ALA A 63 8.160 -2.243 8.497 1.00 0.53 O ATOM 935 CB ALA A 63 7.062 -0.765 5.776 1.00 0.50 C ATOM 0 H ALA A 63 8.316 -2.176 4.212 1.00 0.47 H new ATOM 0 HA ALA A 63 9.037 -0.868 6.584 1.00 0.49 H new ATOM 0 HB1 ALA A 63 6.654 -0.236 6.637 1.00 0.50 H new ATOM 0 HB2 ALA A 63 7.348 -0.044 5.010 1.00 0.50 H new ATOM 0 HB3 ALA A 63 6.308 -1.442 5.374 1.00 0.50 H new ATOM 941 N GLY A 64 7.423 -3.719 6.952 1.00 0.51 N ATOM 942 CA GLY A 64 7.247 -4.859 7.837 1.00 0.53 C ATOM 943 C GLY A 64 5.817 -5.382 7.801 1.00 0.49 C ATOM 944 O GLY A 64 5.265 -5.718 8.847 1.00 0.60 O ATOM 0 H GLY A 64 7.106 -3.899 5.999 1.00 0.51 H new ATOM 0 HA2 GLY A 64 7.933 -5.655 7.547 1.00 0.53 H new ATOM 0 HA3 GLY A 64 7.504 -4.572 8.857 1.00 0.53 H new ATOM 948 N TYR A 65 5.217 -5.461 6.610 1.00 0.45 N ATOM 949 CA TYR A 65 3.896 -6.045 6.422 1.00 0.45 C ATOM 950 C TYR A 65 3.992 -7.281 5.531 1.00 0.44 C ATOM 951 O TYR A 65 5.006 -7.519 4.882 1.00 0.90 O ATOM 952 CB TYR A 65 2.943 -4.995 5.837 1.00 0.51 C ATOM 953 CG TYR A 65 2.899 -3.683 6.605 1.00 0.64 C ATOM 954 CD1 TYR A 65 2.802 -3.691 8.009 1.00 1.80 C ATOM 955 CD2 TYR A 65 3.039 -2.458 5.926 1.00 2.08 C ATOM 956 CE1 TYR A 65 2.932 -2.494 8.731 1.00 1.81 C ATOM 957 CE2 TYR A 65 3.102 -1.252 6.647 1.00 2.19 C ATOM 958 CZ TYR A 65 3.081 -1.278 8.051 1.00 0.97 C ATOM 959 OH TYR A 65 3.183 -0.121 8.763 1.00 1.17 O ATOM 0 H TYR A 65 5.640 -5.118 5.748 1.00 0.45 H new ATOM 0 HA TYR A 65 3.495 -6.363 7.384 1.00 0.45 H new ATOM 0 HB2 TYR A 65 3.238 -4.789 4.808 1.00 0.51 H new ATOM 0 HB3 TYR A 65 1.938 -5.415 5.803 1.00 0.51 H new ATOM 0 HD1 TYR A 65 2.627 -4.620 8.532 1.00 1.80 H new ATOM 0 HD2 TYR A 65 3.098 -2.444 4.848 1.00 2.08 H new ATOM 0 HE1 TYR A 65 2.917 -2.510 9.811 1.00 1.81 H new ATOM 0 HE2 TYR A 65 3.166 -0.310 6.123 1.00 2.19 H new ATOM 0 HH TYR A 65 2.612 0.564 8.357 1.00 1.17 H new ATOM 969 N SER A 66 2.917 -8.064 5.504 1.00 0.61 N ATOM 970 CA SER A 66 2.717 -9.176 4.601 1.00 0.58 C ATOM 971 C SER A 66 1.479 -8.824 3.794 1.00 0.49 C ATOM 972 O SER A 66 0.470 -8.418 4.377 1.00 0.66 O ATOM 973 CB SER A 66 2.487 -10.458 5.402 1.00 0.82 C ATOM 974 OG SER A 66 3.640 -10.752 6.162 1.00 1.34 O ATOM 0 H SER A 66 2.132 -7.929 6.141 1.00 0.61 H new ATOM 0 HA SER A 66 3.580 -9.345 3.957 1.00 0.58 H new ATOM 0 HB2 SER A 66 1.626 -10.339 6.059 1.00 0.82 H new ATOM 0 HB3 SER A 66 2.262 -11.285 4.728 1.00 0.82 H new ATOM 0 HG SER A 66 3.492 -11.573 6.677 1.00 1.34 H new ATOM 980 N LEU A 67 1.576 -8.963 2.474 1.00 0.48 N ATOM 981 CA LEU A 67 0.476 -8.769 1.561 1.00 0.44 C ATOM 982 C LEU A 67 0.578 -9.800 0.454 1.00 0.43 C ATOM 983 O LEU A 67 1.575 -10.516 0.363 1.00 0.42 O ATOM 984 CB LEU A 67 0.442 -7.324 1.045 1.00 0.37 C ATOM 985 CG LEU A 67 1.704 -6.796 0.357 1.00 0.37 C ATOM 986 CD1 LEU A 67 1.934 -7.477 -0.997 1.00 0.81 C ATOM 987 CD2 LEU A 67 1.472 -5.286 0.234 1.00 0.78 C ATOM 0 H LEU A 67 2.446 -9.220 2.009 1.00 0.48 H new ATOM 0 HA LEU A 67 -0.475 -8.919 2.072 1.00 0.44 H new ATOM 0 HB2 LEU A 67 -0.387 -7.235 0.343 1.00 0.37 H new ATOM 0 HB3 LEU A 67 0.218 -6.670 1.888 1.00 0.37 H new ATOM 0 HG LEU A 67 2.611 -7.012 0.922 1.00 0.37 H new ATOM 0 HD11 LEU A 67 2.838 -7.077 -1.456 1.00 0.81 H new ATOM 0 HD12 LEU A 67 2.046 -8.551 -0.850 1.00 0.81 H new ATOM 0 HD13 LEU A 67 1.081 -7.287 -1.649 1.00 0.81 H new ATOM 0 HD21 LEU A 67 2.332 -4.824 -0.251 1.00 0.78 H new ATOM 0 HD22 LEU A 67 0.578 -5.103 -0.362 1.00 0.78 H new ATOM 0 HD23 LEU A 67 1.341 -4.856 1.227 1.00 0.78 H new ATOM 999 N ARG A 68 -0.465 -9.877 -0.370 1.00 0.51 N ATOM 1000 CA ARG A 68 -0.539 -10.728 -1.536 1.00 0.61 C ATOM 1001 C ARG A 68 -1.111 -9.824 -2.616 1.00 0.70 C ATOM 1002 O ARG A 68 -2.117 -9.161 -2.361 1.00 0.93 O ATOM 1003 CB ARG A 68 -1.448 -11.929 -1.236 1.00 0.71 C ATOM 1004 CG ARG A 68 -0.967 -12.615 0.053 1.00 0.52 C ATOM 1005 CD ARG A 68 -1.326 -14.099 0.201 1.00 1.09 C ATOM 1006 NE ARG A 68 -0.570 -14.676 1.328 1.00 1.83 N ATOM 1007 CZ ARG A 68 -0.638 -15.943 1.769 1.00 2.87 C ATOM 1008 NH1 ARG A 68 -1.500 -16.801 1.213 1.00 3.57 N ATOM 1009 NH2 ARG A 68 0.161 -16.345 2.765 1.00 3.70 N ATOM 0 H ARG A 68 -1.310 -9.323 -0.231 1.00 0.51 H new ATOM 0 HA ARG A 68 0.420 -11.148 -1.841 1.00 0.61 H new ATOM 0 HB2 ARG A 68 -2.481 -11.600 -1.124 1.00 0.71 H new ATOM 0 HB3 ARG A 68 -1.427 -12.634 -2.067 1.00 0.71 H new ATOM 0 HG2 ARG A 68 0.117 -12.517 0.110 1.00 0.52 H new ATOM 0 HG3 ARG A 68 -1.381 -12.075 0.904 1.00 0.52 H new ATOM 0 HD2 ARG A 68 -2.397 -14.210 0.372 1.00 1.09 H new ATOM 0 HD3 ARG A 68 -1.093 -14.634 -0.719 1.00 1.09 H new ATOM 0 HE ARG A 68 0.068 -14.051 1.821 1.00 1.83 H new ATOM 0 HH11 ARG A 68 -2.107 -16.494 0.453 1.00 3.57 H new ATOM 0 HH12 ARG A 68 -1.551 -17.763 1.549 1.00 3.57 H new ATOM 0 HH21 ARG A 68 0.819 -15.690 3.187 1.00 3.70 H new ATOM 0 HH22 ARG A 68 0.112 -17.306 3.102 1.00 3.70 H new ATOM 1023 N ASP A 69 -0.424 -9.737 -3.757 1.00 0.68 N ATOM 1024 CA ASP A 69 -0.822 -8.923 -4.883 1.00 0.75 C ATOM 1025 C ASP A 69 -2.249 -9.270 -5.243 1.00 0.67 C ATOM 1026 O ASP A 69 -2.553 -10.403 -5.615 1.00 0.93 O ATOM 1027 CB ASP A 69 0.058 -9.234 -6.085 1.00 1.04 C ATOM 1028 CG ASP A 69 -0.230 -8.324 -7.269 1.00 1.80 C ATOM 1029 OD1 ASP A 69 -0.199 -7.085 -7.101 1.00 2.94 O ATOM 1030 OD2 ASP A 69 -0.439 -8.868 -8.372 1.00 3.02 O ATOM 0 H ASP A 69 0.445 -10.247 -3.917 1.00 0.68 H new ATOM 0 HA ASP A 69 -0.727 -7.869 -4.620 1.00 0.75 H new ATOM 0 HB2 ASP A 69 1.105 -9.134 -5.800 1.00 1.04 H new ATOM 0 HB3 ASP A 69 -0.093 -10.271 -6.383 1.00 1.04 H new ATOM 1035 N GLU A 70 -3.117 -8.297 -5.058 1.00 0.53 N ATOM 1036 CA GLU A 70 -4.521 -8.457 -5.330 1.00 0.47 C ATOM 1037 C GLU A 70 -4.808 -7.942 -6.735 1.00 0.49 C ATOM 1038 O GLU A 70 -3.990 -7.270 -7.364 1.00 0.57 O ATOM 1039 CB GLU A 70 -5.306 -7.721 -4.245 1.00 0.50 C ATOM 1040 CG GLU A 70 -6.404 -8.533 -3.585 1.00 0.45 C ATOM 1041 CD GLU A 70 -7.641 -8.497 -4.444 1.00 1.34 C ATOM 1042 OE1 GLU A 70 -7.698 -9.342 -5.362 1.00 2.22 O ATOM 1043 OE2 GLU A 70 -8.457 -7.568 -4.230 1.00 2.41 O ATOM 0 H GLU A 70 -2.862 -7.371 -4.713 1.00 0.53 H new ATOM 0 HA GLU A 70 -4.828 -9.502 -5.304 1.00 0.47 H new ATOM 0 HB2 GLU A 70 -4.609 -7.388 -3.476 1.00 0.50 H new ATOM 0 HB3 GLU A 70 -5.749 -6.826 -4.682 1.00 0.50 H new ATOM 0 HG2 GLU A 70 -6.075 -9.563 -3.445 1.00 0.45 H new ATOM 0 HG3 GLU A 70 -6.623 -8.131 -2.596 1.00 0.45 H new ATOM 1050 N GLN A 71 -5.998 -8.270 -7.216 1.00 0.52 N ATOM 1051 CA GLN A 71 -6.564 -7.704 -8.428 1.00 0.53 C ATOM 1052 C GLN A 71 -6.463 -6.168 -8.416 1.00 0.54 C ATOM 1053 O GLN A 71 -6.405 -5.534 -7.361 1.00 0.66 O ATOM 1054 CB GLN A 71 -8.019 -8.180 -8.563 1.00 0.67 C ATOM 1055 CG GLN A 71 -8.926 -7.444 -7.567 1.00 2.03 C ATOM 1056 CD GLN A 71 -10.182 -8.223 -7.195 1.00 2.97 C ATOM 1057 OE1 GLN A 71 -10.862 -8.770 -8.057 1.00 3.43 O ATOM 1058 NE2 GLN A 71 -10.508 -8.265 -5.907 1.00 3.84 N ATOM 0 H GLN A 71 -6.608 -8.951 -6.764 1.00 0.52 H new ATOM 0 HA GLN A 71 -5.999 -8.047 -9.295 1.00 0.53 H new ATOM 0 HB2 GLN A 71 -8.371 -8.006 -9.580 1.00 0.67 H new ATOM 0 HB3 GLN A 71 -8.073 -9.254 -8.386 1.00 0.67 H new ATOM 0 HG2 GLN A 71 -8.359 -7.231 -6.661 1.00 2.03 H new ATOM 0 HG3 GLN A 71 -9.217 -6.484 -7.994 1.00 2.03 H new ATOM 0 HE21 GLN A 71 -9.920 -7.799 -5.217 1.00 3.84 H new ATOM 0 HE22 GLN A 71 -11.347 -8.763 -5.609 1.00 3.84 H new