USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 552 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 21 MET CE :methyl -152:sc= -0.3 (180deg=-1.67!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= -3.58! K(o=-3.9!,f=-2.3) USER MOD Set 2.1: A 28 ASN : amide:sc= 0.0728 X(o=-1.3,f=-1.2) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 14 SER OG : rot -170:sc= -0.608 USER MOD Single : A 19 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.19) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -115:sc= -4.66! (180deg=-8.26!) USER MOD Single : A 34 CYS SG : rot 60:sc= -5.3! USER MOD Single : A 37 SER OG : rot -140:sc= -0.947 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.19) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0595 USER MOD Single : A 68 THR OG1 : rot 49:sc= -2.68! USER MOD Single : A 71 LYS NZ :NH3+ 138:sc= 0.461 (180deg=0.00276) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 6 8.089 2.916 26.888 1.00 0.00 N ATOM 84 CA VAL A 6 7.645 3.473 28.191 1.00 0.00 C ATOM 85 C VAL A 6 6.129 3.558 28.265 1.00 0.00 C ATOM 86 O VAL A 6 5.462 3.699 27.260 1.00 0.00 O ATOM 87 CB VAL A 6 8.221 4.889 28.331 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.728 4.801 28.577 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.967 5.663 27.034 1.00 0.00 C ATOM 0 HA VAL A 6 7.995 2.819 28.990 1.00 0.00 H new ATOM 0 HB VAL A 6 7.743 5.400 29.167 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.140 5.805 28.677 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.915 4.240 29.492 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.205 4.295 27.737 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.373 6.670 27.126 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.452 5.150 26.203 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.894 5.720 26.848 1.00 0.00 H new ATOM 99 N ILE A 7 5.614 3.468 29.463 1.00 0.00 N ATOM 100 CA ILE A 7 4.142 3.540 29.635 1.00 0.00 C ATOM 101 C ILE A 7 3.715 4.965 29.978 1.00 0.00 C ATOM 102 O ILE A 7 3.933 5.430 31.078 1.00 0.00 O ATOM 103 CB ILE A 7 3.747 2.613 30.789 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.464 1.276 30.648 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.226 2.362 30.728 1.00 0.00 C ATOM 106 CD1 ILE A 7 4.299 0.764 29.215 1.00 0.00 C ATOM 0 H ILE A 7 6.150 3.348 30.323 1.00 0.00 H new ATOM 0 HA ILE A 7 3.653 3.239 28.708 1.00 0.00 H new ATOM 0 HB ILE A 7 4.022 3.078 31.736 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.521 1.390 30.886 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.054 0.554 31.354 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.933 1.703 31.545 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.697 3.311 30.819 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.972 1.895 29.776 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.811 -0.193 29.109 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.239 0.635 28.994 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.729 1.484 28.519 1.00 0.00 H new ATOM 118 N GLU A 8 3.116 5.631 29.029 1.00 0.00 N ATOM 119 CA GLU A 8 2.672 7.024 29.288 1.00 0.00 C ATOM 120 C GLU A 8 1.404 7.050 30.133 1.00 0.00 C ATOM 121 O GLU A 8 0.352 6.636 29.686 1.00 0.00 O ATOM 122 CB GLU A 8 2.380 7.700 27.940 1.00 0.00 C ATOM 123 CG GLU A 8 2.061 6.630 26.897 1.00 0.00 C ATOM 124 CD GLU A 8 1.549 7.305 25.622 1.00 0.00 C ATOM 125 OE1 GLU A 8 0.370 7.144 25.360 1.00 0.00 O ATOM 126 OE2 GLU A 8 2.369 7.947 24.984 1.00 0.00 O ATOM 0 H GLU A 8 2.918 5.273 28.095 1.00 0.00 H new ATOM 0 HA GLU A 8 3.459 7.548 29.830 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.541 8.389 28.040 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.240 8.289 27.622 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.952 6.042 26.678 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.311 5.940 27.284 1.00 0.00 H new ATOM 133 N LEU A 9 1.533 7.537 31.346 1.00 0.00 N ATOM 134 CA LEU A 9 0.350 7.607 32.250 1.00 0.00 C ATOM 135 C LEU A 9 0.275 8.970 32.932 1.00 0.00 C ATOM 136 O LEU A 9 1.233 9.719 32.935 1.00 0.00 O ATOM 137 CB LEU A 9 0.491 6.517 33.324 1.00 0.00 C ATOM 138 CG LEU A 9 0.092 5.164 32.725 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.215 4.081 33.800 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.360 5.232 32.244 1.00 0.00 C ATOM 0 H LEU A 9 2.405 7.887 31.744 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.557 7.458 31.665 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.518 6.479 33.687 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.142 6.750 34.181 1.00 0.00 H new ATOM 0 HG LEU A 9 0.746 4.927 31.886 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.068 3.116 33.379 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.245 4.035 34.154 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.445 4.320 34.634 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.647 4.271 31.817 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.012 5.464 33.086 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.456 6.009 31.486 1.00 0.00 H new ATOM 152 N GLU A 10 -0.863 9.266 33.503 1.00 0.00 N ATOM 153 CA GLU A 10 -1.016 10.576 34.189 1.00 0.00 C ATOM 154 C GLU A 10 -0.618 10.488 35.655 1.00 0.00 C ATOM 155 O GLU A 10 -0.854 9.491 36.308 1.00 0.00 O ATOM 156 CB GLU A 10 -2.492 10.994 34.104 1.00 0.00 C ATOM 157 CG GLU A 10 -2.799 11.462 32.680 1.00 0.00 C ATOM 158 CD GLU A 10 -4.315 11.491 32.472 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.760 10.740 31.619 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.944 12.261 33.180 1.00 0.00 O ATOM 0 H GLU A 10 -1.684 8.662 33.523 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.366 11.303 33.702 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.136 10.156 34.371 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.698 11.794 34.815 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.379 12.454 32.512 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.334 10.792 31.957 1.00 0.00 H new ATOM 167 N GLY A 11 -0.018 11.541 36.148 1.00 0.00 N ATOM 168 CA GLY A 11 0.404 11.541 37.571 1.00 0.00 C ATOM 169 C GLY A 11 0.457 12.975 38.080 1.00 0.00 C ATOM 170 O GLY A 11 0.750 13.880 37.325 1.00 0.00 O ATOM 0 H GLY A 11 0.194 12.392 35.628 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.295 10.956 38.169 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.382 11.071 37.672 1.00 0.00 H new ATOM 174 N THR A 12 0.177 13.158 39.346 1.00 0.00 N ATOM 175 CA THR A 12 0.209 14.533 39.904 1.00 0.00 C ATOM 176 C THR A 12 1.452 14.755 40.736 1.00 0.00 C ATOM 177 O THR A 12 1.790 13.949 41.579 1.00 0.00 O ATOM 178 CB THR A 12 -1.019 14.723 40.791 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.118 14.761 39.906 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.003 16.108 41.446 1.00 0.00 C ATOM 0 H THR A 12 -0.069 12.421 40.006 1.00 0.00 H new ATOM 0 HA THR A 12 0.213 15.247 39.081 1.00 0.00 H new ATOM 0 HB THR A 12 -1.054 13.940 41.549 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.946 14.880 40.417 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.886 16.224 42.074 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.107 16.211 42.058 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.004 16.876 40.673 1.00 0.00 H new ATOM 188 N VAL A 13 2.115 15.854 40.493 1.00 0.00 N ATOM 189 CA VAL A 13 3.350 16.133 41.275 1.00 0.00 C ATOM 190 C VAL A 13 3.025 16.297 42.744 1.00 0.00 C ATOM 191 O VAL A 13 2.300 17.197 43.124 1.00 0.00 O ATOM 192 CB VAL A 13 3.994 17.434 40.768 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.429 17.512 41.285 1.00 0.00 C ATOM 194 CG2 VAL A 13 4.020 17.425 39.247 1.00 0.00 C ATOM 0 H VAL A 13 1.860 16.558 39.800 1.00 0.00 H new ATOM 0 HA VAL A 13 4.034 15.294 41.149 1.00 0.00 H new ATOM 0 HB VAL A 13 3.419 18.290 41.122 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.894 18.432 40.930 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.424 17.505 42.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.995 16.655 40.919 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.476 18.347 38.885 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.601 16.571 38.898 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.001 17.351 38.866 1.00 0.00 H new ATOM 204 N SER A 14 3.569 15.425 43.550 1.00 0.00 N ATOM 205 CA SER A 14 3.301 15.513 45.003 1.00 0.00 C ATOM 206 C SER A 14 4.422 16.248 45.730 1.00 0.00 C ATOM 207 O SER A 14 4.196 16.878 46.745 1.00 0.00 O ATOM 208 CB SER A 14 3.207 14.086 45.563 1.00 0.00 C ATOM 209 OG SER A 14 1.834 13.929 45.890 1.00 0.00 O ATOM 0 H SER A 14 4.182 14.663 43.262 1.00 0.00 H new ATOM 0 HA SER A 14 2.372 16.063 45.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.528 13.348 44.828 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.842 13.960 46.440 1.00 0.00 H new ATOM 0 HG SER A 14 1.712 13.101 46.400 1.00 0.00 H new ATOM 215 N GLU A 15 5.614 16.155 45.203 1.00 0.00 N ATOM 216 CA GLU A 15 6.751 16.846 45.862 1.00 0.00 C ATOM 217 C GLU A 15 7.809 17.262 44.841 1.00 0.00 C ATOM 218 O GLU A 15 8.348 16.436 44.132 1.00 0.00 O ATOM 219 CB GLU A 15 7.387 15.873 46.870 1.00 0.00 C ATOM 220 CG GLU A 15 7.517 16.569 48.229 1.00 0.00 C ATOM 221 CD GLU A 15 7.779 15.518 49.312 1.00 0.00 C ATOM 222 OE1 GLU A 15 8.941 15.375 49.657 1.00 0.00 O ATOM 223 OE2 GLU A 15 6.803 14.918 49.731 1.00 0.00 O ATOM 0 H GLU A 15 5.844 15.636 44.355 1.00 0.00 H new ATOM 0 HA GLU A 15 6.381 17.743 46.359 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.774 14.976 46.964 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.367 15.553 46.516 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.332 17.293 48.204 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.606 17.123 48.456 1.00 0.00 H new ATOM 230 N ALA A 16 8.089 18.539 44.791 1.00 0.00 N ATOM 231 CA ALA A 16 9.105 19.027 43.826 1.00 0.00 C ATOM 232 C ALA A 16 10.489 19.056 44.458 1.00 0.00 C ATOM 233 O ALA A 16 10.786 19.918 45.261 1.00 0.00 O ATOM 234 CB ALA A 16 8.728 20.455 43.406 1.00 0.00 C ATOM 0 H ALA A 16 7.659 19.257 45.374 1.00 0.00 H new ATOM 0 HA ALA A 16 9.128 18.355 42.968 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.464 20.832 42.696 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.743 20.449 42.939 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.709 21.100 44.285 1.00 0.00 H new ATOM 240 N LEU A 17 11.312 18.112 44.084 1.00 0.00 N ATOM 241 CA LEU A 17 12.677 18.074 44.657 1.00 0.00 C ATOM 242 C LEU A 17 13.669 18.824 43.754 1.00 0.00 C ATOM 243 O LEU A 17 13.504 18.865 42.551 1.00 0.00 O ATOM 244 CB LEU A 17 13.120 16.615 44.752 1.00 0.00 C ATOM 245 CG LEU A 17 11.927 15.767 45.150 1.00 0.00 C ATOM 246 CD1 LEU A 17 12.348 14.300 45.181 1.00 0.00 C ATOM 247 CD2 LEU A 17 11.446 16.185 46.539 1.00 0.00 C ATOM 0 H LEU A 17 11.096 17.375 43.413 1.00 0.00 H new ATOM 0 HA LEU A 17 12.662 18.549 45.638 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.520 16.279 43.795 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.919 16.510 45.486 1.00 0.00 H new ATOM 0 HG LEU A 17 11.120 15.906 44.430 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.496 13.683 45.466 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.698 14.001 44.193 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.151 14.167 45.906 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.589 15.576 46.826 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.250 16.042 47.261 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.156 17.235 46.523 1.00 0.00 H new ATOM 259 N PRO A 18 14.686 19.410 44.358 1.00 0.00 N ATOM 260 CA PRO A 18 15.693 20.149 43.603 1.00 0.00 C ATOM 261 C PRO A 18 16.374 19.257 42.571 1.00 0.00 C ATOM 262 O PRO A 18 16.230 18.050 42.594 1.00 0.00 O ATOM 263 CB PRO A 18 16.726 20.608 44.659 1.00 0.00 C ATOM 264 CG PRO A 18 16.248 20.064 46.041 1.00 0.00 C ATOM 265 CD PRO A 18 14.892 19.374 45.813 1.00 0.00 C ATOM 0 HA PRO A 18 15.249 20.980 43.056 1.00 0.00 H new ATOM 0 HB2 PRO A 18 17.718 20.226 44.418 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.799 21.695 44.678 1.00 0.00 H new ATOM 0 HG2 PRO A 18 16.974 19.361 46.450 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.150 20.876 46.761 1.00 0.00 H new ATOM 0 HD2 PRO A 18 14.903 18.349 46.185 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.091 19.895 46.338 1.00 0.00 H new ATOM 273 N ASN A 19 17.095 19.875 41.679 1.00 0.00 N ATOM 274 CA ASN A 19 17.801 19.098 40.629 1.00 0.00 C ATOM 275 C ASN A 19 16.837 18.612 39.545 1.00 0.00 C ATOM 276 O ASN A 19 17.046 17.577 38.946 1.00 0.00 O ATOM 277 CB ASN A 19 18.477 17.880 41.283 1.00 0.00 C ATOM 278 CG ASN A 19 19.878 17.698 40.690 1.00 0.00 C ATOM 279 OD1 ASN A 19 20.724 17.036 41.258 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.164 18.267 39.549 1.00 0.00 N ATOM 0 H ASN A 19 17.225 20.886 41.633 1.00 0.00 H new ATOM 0 HA ASN A 19 18.540 19.748 40.159 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.542 18.022 42.362 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.879 16.984 41.115 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.092 18.154 39.141 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.459 18.824 39.066 1.00 0.00 H new ATOM 287 N ALA A 20 15.795 19.365 39.323 1.00 0.00 N ATOM 288 CA ALA A 20 14.806 18.972 38.286 1.00 0.00 C ATOM 289 C ALA A 20 14.278 17.544 38.511 1.00 0.00 C ATOM 290 O ALA A 20 14.438 16.670 37.677 1.00 0.00 O ATOM 291 CB ALA A 20 15.506 19.056 36.912 1.00 0.00 C ATOM 0 H ALA A 20 15.588 20.234 39.815 1.00 0.00 H new ATOM 0 HA ALA A 20 13.950 19.644 38.336 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.804 18.773 36.128 1.00 0.00 H new ATOM 0 HB2 ALA A 20 15.849 20.076 36.740 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.360 18.379 36.897 1.00 0.00 H new ATOM 297 N MET A 21 13.647 17.343 39.636 1.00 0.00 N ATOM 298 CA MET A 21 13.103 16.012 39.947 1.00 0.00 C ATOM 299 C MET A 21 11.946 16.151 40.929 1.00 0.00 C ATOM 300 O MET A 21 12.034 16.905 41.879 1.00 0.00 O ATOM 301 CB MET A 21 14.219 15.175 40.594 1.00 0.00 C ATOM 302 CG MET A 21 13.589 14.128 41.505 1.00 0.00 C ATOM 303 SD MET A 21 14.630 12.743 42.030 1.00 0.00 S ATOM 304 CE MET A 21 15.169 12.226 40.382 1.00 0.00 C ATOM 0 H MET A 21 13.489 18.054 40.350 1.00 0.00 H new ATOM 0 HA MET A 21 12.745 15.531 39.037 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.821 14.691 39.825 1.00 0.00 H new ATOM 0 HB3 MET A 21 14.888 15.818 41.166 1.00 0.00 H new ATOM 0 HG2 MET A 21 13.227 14.635 42.400 1.00 0.00 H new ATOM 0 HG3 MET A 21 12.717 13.719 40.995 1.00 0.00 H new ATOM 0 HE1 MET A 21 15.390 11.159 40.390 1.00 0.00 H new ATOM 0 HE2 MET A 21 14.377 12.428 39.660 1.00 0.00 H new ATOM 0 HE3 MET A 21 16.065 12.780 40.102 1.00 0.00 H new ATOM 314 N PHE A 22 10.881 15.425 40.683 1.00 0.00 N ATOM 315 CA PHE A 22 9.715 15.510 41.601 1.00 0.00 C ATOM 316 C PHE A 22 9.123 14.148 41.930 1.00 0.00 C ATOM 317 O PHE A 22 9.402 13.156 41.284 1.00 0.00 O ATOM 318 CB PHE A 22 8.580 16.316 40.928 1.00 0.00 C ATOM 319 CG PHE A 22 9.083 17.138 39.747 1.00 0.00 C ATOM 320 CD1 PHE A 22 8.710 16.795 38.454 1.00 0.00 C ATOM 321 CD2 PHE A 22 9.791 18.307 39.952 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.027 17.613 37.398 1.00 0.00 C ATOM 323 CE2 PHE A 22 10.105 19.124 38.887 1.00 0.00 C ATOM 324 CZ PHE A 22 9.720 18.776 37.612 1.00 0.00 C ATOM 0 H PHE A 22 10.774 14.786 39.895 1.00 0.00 H new ATOM 0 HA PHE A 22 10.084 15.980 42.513 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.802 15.632 40.588 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.122 16.979 41.662 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.167 15.878 38.278 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.099 18.581 40.950 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.730 17.339 36.396 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.654 20.039 39.053 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.964 19.420 36.780 1.00 0.00 H new ATOM 334 N LYS A 23 8.300 14.152 42.948 1.00 0.00 N ATOM 335 CA LYS A 23 7.637 12.909 43.387 1.00 0.00 C ATOM 336 C LYS A 23 6.188 12.982 42.931 1.00 0.00 C ATOM 337 O LYS A 23 5.412 13.750 43.466 1.00 0.00 O ATOM 338 CB LYS A 23 7.681 12.845 44.924 1.00 0.00 C ATOM 339 CG LYS A 23 7.524 11.391 45.376 1.00 0.00 C ATOM 340 CD LYS A 23 7.003 11.361 46.821 1.00 0.00 C ATOM 341 CE LYS A 23 7.926 10.484 47.669 1.00 0.00 C ATOM 342 NZ LYS A 23 9.174 11.222 48.012 1.00 0.00 N ATOM 0 H LYS A 23 8.063 14.980 43.494 1.00 0.00 H new ATOM 0 HA LYS A 23 8.129 12.030 42.971 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.624 13.251 45.289 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.885 13.457 45.348 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.832 10.866 44.717 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.481 10.873 45.312 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.966 12.371 47.228 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.986 10.970 46.846 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.413 10.181 48.582 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.173 9.572 47.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.790 10.613 48.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.670 11.489 47.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.934 12.079 48.550 1.00 0.00 H new ATOM 356 N VAL A 24 5.842 12.185 41.957 1.00 0.00 N ATOM 357 CA VAL A 24 4.445 12.213 41.461 1.00 0.00 C ATOM 358 C VAL A 24 3.600 11.139 42.090 1.00 0.00 C ATOM 359 O VAL A 24 4.068 10.048 42.344 1.00 0.00 O ATOM 360 CB VAL A 24 4.482 11.995 39.951 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.056 11.811 39.426 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.114 13.220 39.291 1.00 0.00 C ATOM 0 H VAL A 24 6.462 11.523 41.490 1.00 0.00 H new ATOM 0 HA VAL A 24 4.001 13.174 41.721 1.00 0.00 H new ATOM 0 HB VAL A 24 5.067 11.105 39.719 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.083 11.655 38.348 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.600 10.945 39.906 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.468 12.701 39.650 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.146 13.076 38.211 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.520 14.104 39.522 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.127 13.355 39.669 1.00 0.00 H new ATOM 372 N LYS A 25 2.357 11.475 42.329 1.00 0.00 N ATOM 373 CA LYS A 25 1.430 10.493 42.947 1.00 0.00 C ATOM 374 C LYS A 25 0.365 10.045 41.950 1.00 0.00 C ATOM 375 O LYS A 25 -0.295 10.850 41.325 1.00 0.00 O ATOM 376 CB LYS A 25 0.755 11.154 44.172 1.00 0.00 C ATOM 377 CG LYS A 25 -0.546 11.835 43.752 1.00 0.00 C ATOM 378 CD LYS A 25 -1.109 12.618 44.939 1.00 0.00 C ATOM 379 CE LYS A 25 -2.343 13.393 44.478 1.00 0.00 C ATOM 380 NZ LYS A 25 -1.939 14.565 43.648 1.00 0.00 N ATOM 0 H LYS A 25 1.950 12.387 42.121 1.00 0.00 H new ATOM 0 HA LYS A 25 1.995 9.613 43.254 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.551 10.402 44.934 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.429 11.885 44.618 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.365 12.505 42.912 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.268 11.091 43.416 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.372 11.938 45.749 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.357 13.304 45.330 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.997 12.739 43.902 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.913 13.731 45.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.200 15.444 44.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.910 14.545 43.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.424 14.523 42.729 1.00 0.00 H new ATOM 394 N LEU A 26 0.247 8.765 41.793 1.00 0.00 N ATOM 395 CA LEU A 26 -0.749 8.239 40.858 1.00 0.00 C ATOM 396 C LEU A 26 -2.115 8.146 41.508 1.00 0.00 C ATOM 397 O LEU A 26 -2.266 8.406 42.687 1.00 0.00 O ATOM 398 CB LEU A 26 -0.299 6.843 40.440 1.00 0.00 C ATOM 399 CG LEU A 26 0.985 6.980 39.641 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.182 6.760 40.557 1.00 0.00 C ATOM 401 CD2 LEU A 26 0.999 5.935 38.529 1.00 0.00 C ATOM 0 H LEU A 26 0.805 8.062 42.279 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.829 8.907 40.000 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.136 6.217 41.317 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.070 6.358 39.841 1.00 0.00 H new ATOM 0 HG LEU A 26 1.040 7.979 39.208 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.103 6.859 39.982 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.171 7.503 41.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.130 5.761 40.990 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.919 6.030 37.952 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.945 4.938 38.966 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.142 6.090 37.873 1.00 0.00 H new ATOM 413 N GLU A 27 -3.086 7.776 40.730 1.00 0.00 N ATOM 414 CA GLU A 27 -4.452 7.658 41.277 1.00 0.00 C ATOM 415 C GLU A 27 -4.578 6.419 42.152 1.00 0.00 C ATOM 416 O GLU A 27 -5.390 6.375 43.054 1.00 0.00 O ATOM 417 CB GLU A 27 -5.432 7.531 40.101 1.00 0.00 C ATOM 418 CG GLU A 27 -6.076 8.893 39.834 1.00 0.00 C ATOM 419 CD GLU A 27 -7.365 9.008 40.650 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.347 8.453 40.188 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.293 9.644 41.688 1.00 0.00 O ATOM 0 H GLU A 27 -2.990 7.551 39.740 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.672 8.538 41.882 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.908 7.182 39.211 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.199 6.791 40.329 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.387 9.694 40.104 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.293 9.004 38.772 1.00 0.00 H new ATOM 428 N ASN A 28 -3.770 5.433 41.873 1.00 0.00 N ATOM 429 CA ASN A 28 -3.834 4.195 42.683 1.00 0.00 C ATOM 430 C ASN A 28 -3.403 4.463 44.122 1.00 0.00 C ATOM 431 O ASN A 28 -3.667 3.671 45.005 1.00 0.00 O ATOM 432 CB ASN A 28 -2.892 3.155 42.063 1.00 0.00 C ATOM 433 CG ASN A 28 -3.408 1.750 42.390 1.00 0.00 C ATOM 434 OD1 ASN A 28 -3.596 0.926 41.516 1.00 0.00 O ATOM 435 ND2 ASN A 28 -3.649 1.440 43.634 1.00 0.00 N ATOM 0 H ASN A 28 -3.076 5.435 41.125 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.861 3.830 42.692 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.838 3.293 40.983 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.882 3.284 42.452 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.994 0.510 43.870 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.493 2.128 44.371 1.00 0.00 H new ATOM 442 N GLY A 29 -2.742 5.579 44.328 1.00 0.00 N ATOM 443 CA GLY A 29 -2.281 5.926 45.710 1.00 0.00 C ATOM 444 C GLY A 29 -0.757 5.797 45.840 1.00 0.00 C ATOM 445 O GLY A 29 -0.182 6.242 46.815 1.00 0.00 O ATOM 0 H GLY A 29 -2.504 6.258 43.605 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.583 6.945 45.951 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.766 5.270 46.433 1.00 0.00 H new ATOM 449 N HIS A 30 -0.129 5.199 44.863 1.00 0.00 N ATOM 450 CA HIS A 30 1.348 5.050 44.945 1.00 0.00 C ATOM 451 C HIS A 30 2.057 6.304 44.459 1.00 0.00 C ATOM 452 O HIS A 30 1.428 7.232 43.987 1.00 0.00 O ATOM 453 CB HIS A 30 1.758 3.870 44.064 1.00 0.00 C ATOM 454 CG HIS A 30 0.915 2.663 44.456 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.099 2.281 43.847 1.00 0.00 N ATOM 456 CD2 HIS A 30 1.050 1.805 45.527 1.00 0.00 C ATOM 457 CE1 HIS A 30 -0.629 1.282 44.409 1.00 0.00 C ATOM 458 NE2 HIS A 30 0.037 0.898 45.498 1.00 0.00 N ATOM 0 H HIS A 30 -0.568 4.814 44.026 1.00 0.00 H new ATOM 0 HA HIS A 30 1.631 4.883 45.984 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.608 4.112 43.012 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.818 3.651 44.193 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.834 1.847 46.269 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.522 0.793 44.048 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.160 0.129 46.139 1.00 0.00 H new ATOM 466 N GLU A 31 3.361 6.305 44.590 1.00 0.00 N ATOM 467 CA GLU A 31 4.148 7.475 44.149 1.00 0.00 C ATOM 468 C GLU A 31 5.348 7.035 43.329 1.00 0.00 C ATOM 469 O GLU A 31 5.858 5.946 43.510 1.00 0.00 O ATOM 470 CB GLU A 31 4.636 8.225 45.397 1.00 0.00 C ATOM 471 CG GLU A 31 3.426 8.597 46.256 1.00 0.00 C ATOM 472 CD GLU A 31 3.896 8.986 47.658 1.00 0.00 C ATOM 473 OE1 GLU A 31 4.375 8.093 48.337 1.00 0.00 O ATOM 474 OE2 GLU A 31 3.747 10.155 47.972 1.00 0.00 O ATOM 0 H GLU A 31 3.907 5.539 44.986 1.00 0.00 H new ATOM 0 HA GLU A 31 3.524 8.119 43.529 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.325 7.601 45.966 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.183 9.122 45.108 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.884 9.425 45.800 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.735 7.756 46.313 1.00 0.00 H new ATOM 481 N ILE A 32 5.780 7.890 42.433 1.00 0.00 N ATOM 482 CA ILE A 32 6.948 7.533 41.587 1.00 0.00 C ATOM 483 C ILE A 32 7.845 8.734 41.369 1.00 0.00 C ATOM 484 O ILE A 32 7.404 9.863 41.450 1.00 0.00 O ATOM 485 CB ILE A 32 6.433 7.054 40.246 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.451 5.909 40.445 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.614 6.533 39.412 1.00 0.00 C ATOM 488 CD1 ILE A 32 4.824 5.553 39.101 1.00 0.00 C ATOM 0 H ILE A 32 5.375 8.809 42.256 1.00 0.00 H new ATOM 0 HA ILE A 32 7.527 6.756 42.086 1.00 0.00 H new ATOM 0 HB ILE A 32 5.938 7.883 39.740 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.963 5.042 40.863 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.677 6.196 41.157 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.251 6.186 38.444 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.336 7.336 39.262 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.094 5.707 39.937 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.119 4.733 39.234 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.300 6.422 38.703 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.605 5.250 38.404 1.00 0.00 H new ATOM 500 N LEU A 33 9.093 8.478 41.097 1.00 0.00 N ATOM 501 CA LEU A 33 10.019 9.592 40.873 1.00 0.00 C ATOM 502 C LEU A 33 9.994 9.984 39.413 1.00 0.00 C ATOM 503 O LEU A 33 10.031 9.131 38.547 1.00 0.00 O ATOM 504 CB LEU A 33 11.437 9.134 41.253 1.00 0.00 C ATOM 505 CG LEU A 33 11.405 8.501 42.652 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.843 7.079 42.561 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.827 8.439 43.213 1.00 0.00 C ATOM 0 H LEU A 33 9.500 7.545 41.023 1.00 0.00 H new ATOM 0 HA LEU A 33 9.725 10.449 41.480 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.807 8.414 40.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.122 9.982 41.240 1.00 0.00 H new ATOM 0 HG LEU A 33 10.774 9.103 43.305 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.821 6.632 43.555 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.832 7.113 42.156 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.476 6.479 41.907 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.807 7.990 44.206 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.452 7.836 42.555 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.236 9.447 43.279 1.00 0.00 H new ATOM 519 N CYS A 34 9.922 11.267 39.160 1.00 0.00 N ATOM 520 CA CYS A 34 9.890 11.730 37.752 1.00 0.00 C ATOM 521 C CYS A 34 10.865 12.873 37.534 1.00 0.00 C ATOM 522 O CYS A 34 10.985 13.752 38.363 1.00 0.00 O ATOM 523 CB CYS A 34 8.472 12.220 37.440 1.00 0.00 C ATOM 524 SG CYS A 34 7.119 11.049 37.705 1.00 0.00 S ATOM 0 H CYS A 34 9.885 12.003 39.865 1.00 0.00 H new ATOM 0 HA CYS A 34 10.174 10.905 37.098 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.278 13.104 38.047 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.445 12.537 36.398 1.00 0.00 H new ATOM 0 HG CYS A 34 7.097 10.687 38.953 1.00 0.00 H new ATOM 530 N HIS A 35 11.546 12.836 36.414 1.00 0.00 N ATOM 531 CA HIS A 35 12.526 13.910 36.106 1.00 0.00 C ATOM 532 C HIS A 35 12.005 14.817 34.997 1.00 0.00 C ATOM 533 O HIS A 35 10.987 14.541 34.392 1.00 0.00 O ATOM 534 CB HIS A 35 13.827 13.246 35.624 1.00 0.00 C ATOM 535 CG HIS A 35 15.032 13.937 36.270 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.686 13.480 37.229 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.637 15.139 35.950 1.00 0.00 C ATOM 538 CE1 HIS A 35 16.637 14.253 37.554 1.00 0.00 C ATOM 539 NE2 HIS A 35 16.687 15.345 36.790 1.00 0.00 N ATOM 0 H HIS A 35 11.462 12.108 35.705 1.00 0.00 H new ATOM 0 HA HIS A 35 12.693 14.510 37.000 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.823 12.187 35.881 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.898 13.310 34.538 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.326 15.807 35.160 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.328 14.050 38.359 1.00 0.00 H new ATOM 0 HE2 HIS A 35 17.340 16.128 36.826 1.00 0.00 H new ATOM 547 N ILE A 36 12.717 15.884 34.755 1.00 0.00 N ATOM 548 CA ILE A 36 12.293 16.830 33.696 1.00 0.00 C ATOM 549 C ILE A 36 13.051 16.599 32.393 1.00 0.00 C ATOM 550 O ILE A 36 14.034 15.884 32.360 1.00 0.00 O ATOM 551 CB ILE A 36 12.612 18.234 34.184 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.572 18.671 35.193 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.580 19.207 32.991 1.00 0.00 C ATOM 554 CD1 ILE A 36 12.155 19.796 36.064 1.00 0.00 C ATOM 0 H ILE A 36 13.573 16.137 35.248 1.00 0.00 H new ATOM 0 HA ILE A 36 11.230 16.687 33.502 1.00 0.00 H new ATOM 0 HB ILE A 36 13.599 18.237 34.646 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.675 19.019 34.681 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.276 17.828 35.817 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.808 20.215 33.337 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.320 18.901 32.252 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.589 19.195 32.538 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.410 20.115 36.793 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.040 19.431 36.585 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.429 20.641 35.432 1.00 0.00 H new ATOM 566 N SER A 37 12.562 17.213 31.340 1.00 0.00 N ATOM 567 CA SER A 37 13.212 17.070 30.020 1.00 0.00 C ATOM 568 C SER A 37 13.412 18.440 29.393 1.00 0.00 C ATOM 569 O SER A 37 12.460 19.151 29.135 1.00 0.00 O ATOM 570 CB SER A 37 12.306 16.235 29.106 1.00 0.00 C ATOM 571 OG SER A 37 12.111 15.027 29.821 1.00 0.00 O ATOM 0 H SER A 37 11.734 17.809 31.350 1.00 0.00 H new ATOM 0 HA SER A 37 14.179 16.582 30.144 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.360 16.741 28.913 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.774 16.054 28.138 1.00 0.00 H new ATOM 0 HG SER A 37 12.137 14.271 29.199 1.00 0.00 H new ATOM 577 N GLY A 38 14.644 18.792 29.172 1.00 0.00 N ATOM 578 CA GLY A 38 14.935 20.123 28.558 1.00 0.00 C ATOM 579 C GLY A 38 13.994 20.397 27.381 1.00 0.00 C ATOM 580 O GLY A 38 13.874 21.519 26.926 1.00 0.00 O ATOM 0 H GLY A 38 15.462 18.222 29.387 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.824 20.906 29.308 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.970 20.153 28.217 1.00 0.00 H new ATOM 584 N LYS A 39 13.343 19.372 26.910 1.00 0.00 N ATOM 585 CA LYS A 39 12.420 19.568 25.777 1.00 0.00 C ATOM 586 C LYS A 39 11.166 20.300 26.212 1.00 0.00 C ATOM 587 O LYS A 39 10.882 21.382 25.735 1.00 0.00 O ATOM 588 CB LYS A 39 12.030 18.189 25.216 1.00 0.00 C ATOM 589 CG LYS A 39 13.191 17.632 24.386 1.00 0.00 C ATOM 590 CD LYS A 39 12.628 16.787 23.241 1.00 0.00 C ATOM 591 CE LYS A 39 11.801 15.637 23.820 1.00 0.00 C ATOM 592 NZ LYS A 39 11.459 14.657 22.751 1.00 0.00 N ATOM 0 H LYS A 39 13.414 18.417 27.262 1.00 0.00 H new ATOM 0 HA LYS A 39 12.920 20.169 25.017 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.791 17.506 26.032 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.135 18.275 24.599 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.795 18.448 23.989 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.845 17.027 25.013 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.009 17.403 22.589 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.441 16.394 22.630 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.361 15.140 24.613 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.888 16.027 24.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.898 13.882 23.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.907 15.132 22.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.333 14.273 22.340 1.00 0.00 H new ATOM 606 N LEU A 40 10.433 19.712 27.106 1.00 0.00 N ATOM 607 CA LEU A 40 9.204 20.383 27.562 1.00 0.00 C ATOM 608 C LEU A 40 9.522 21.785 28.019 1.00 0.00 C ATOM 609 O LEU A 40 8.658 22.641 28.054 1.00 0.00 O ATOM 610 CB LEU A 40 8.605 19.583 28.730 1.00 0.00 C ATOM 611 CG LEU A 40 9.304 19.977 30.037 1.00 0.00 C ATOM 612 CD1 LEU A 40 8.486 21.055 30.764 1.00 0.00 C ATOM 613 CD2 LEU A 40 9.399 18.749 30.935 1.00 0.00 C ATOM 0 H LEU A 40 10.631 18.807 27.534 1.00 0.00 H new ATOM 0 HA LEU A 40 8.489 20.434 26.741 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.535 19.777 28.806 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.724 18.514 28.550 1.00 0.00 H new ATOM 0 HG LEU A 40 10.298 20.364 29.811 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.989 21.330 31.691 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.395 21.934 30.126 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.493 20.667 30.991 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.895 19.018 31.868 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.397 18.377 31.150 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.973 17.972 30.430 1.00 0.00 H new ATOM 625 N ARG A 41 10.764 22.012 28.349 1.00 0.00 N ATOM 626 CA ARG A 41 11.139 23.350 28.797 1.00 0.00 C ATOM 627 C ARG A 41 11.140 24.274 27.601 1.00 0.00 C ATOM 628 O ARG A 41 10.717 25.410 27.679 1.00 0.00 O ATOM 629 CB ARG A 41 12.551 23.297 29.416 1.00 0.00 C ATOM 630 CG ARG A 41 13.219 24.668 29.255 1.00 0.00 C ATOM 631 CD ARG A 41 14.199 24.915 30.407 1.00 0.00 C ATOM 632 NE ARG A 41 14.397 26.388 30.558 1.00 0.00 N ATOM 633 CZ ARG A 41 15.591 26.897 30.404 1.00 0.00 C ATOM 634 NH1 ARG A 41 16.060 27.050 29.197 1.00 0.00 N ATOM 635 NH2 ARG A 41 16.270 27.243 31.463 1.00 0.00 N ATOM 0 H ARG A 41 11.518 21.325 28.323 1.00 0.00 H new ATOM 0 HA ARG A 41 10.433 23.714 29.544 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.490 23.030 30.471 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.148 22.528 28.926 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.746 24.715 28.302 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.461 25.451 29.238 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.810 24.489 31.332 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.151 24.424 30.205 1.00 0.00 H new ATOM 0 HE ARG A 41 13.606 26.992 30.780 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.497 26.774 28.392 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.990 27.446 29.057 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.867 27.115 32.391 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.203 27.642 31.363 1.00 0.00 H new ATOM 649 N MET A 42 11.619 23.764 26.504 1.00 0.00 N ATOM 650 CA MET A 42 11.659 24.586 25.289 1.00 0.00 C ATOM 651 C MET A 42 10.241 24.943 24.863 1.00 0.00 C ATOM 652 O MET A 42 10.015 25.961 24.240 1.00 0.00 O ATOM 653 CB MET A 42 12.328 23.771 24.170 1.00 0.00 C ATOM 654 CG MET A 42 12.206 24.536 22.851 1.00 0.00 C ATOM 655 SD MET A 42 12.417 26.334 22.910 1.00 0.00 S ATOM 656 CE MET A 42 14.164 26.375 22.438 1.00 0.00 C ATOM 0 H MET A 42 11.981 22.816 26.406 1.00 0.00 H new ATOM 0 HA MET A 42 12.219 25.501 25.481 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.377 23.597 24.408 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.854 22.793 24.083 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.944 24.132 22.158 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.223 24.325 22.429 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.509 27.408 22.411 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.751 25.815 23.166 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.285 25.926 21.452 1.00 0.00 H new ATOM 666 N ASN A 43 9.301 24.091 25.215 1.00 0.00 N ATOM 667 CA ASN A 43 7.892 24.368 24.839 1.00 0.00 C ATOM 668 C ASN A 43 7.271 25.399 25.778 1.00 0.00 C ATOM 669 O ASN A 43 6.094 25.685 25.696 1.00 0.00 O ATOM 670 CB ASN A 43 7.093 23.058 24.946 1.00 0.00 C ATOM 671 CG ASN A 43 7.594 22.065 23.895 1.00 0.00 C ATOM 672 OD1 ASN A 43 7.730 22.391 22.732 1.00 0.00 O ATOM 673 ND2 ASN A 43 7.881 20.845 24.262 1.00 0.00 N ATOM 0 H ASN A 43 9.455 23.230 25.739 1.00 0.00 H new ATOM 0 HA ASN A 43 7.867 24.761 23.823 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.203 22.633 25.944 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.031 23.255 24.798 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.217 20.171 23.574 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.769 20.566 25.237 1.00 0.00 H new ATOM 680 N PHE A 44 8.082 25.937 26.659 1.00 0.00 N ATOM 681 CA PHE A 44 7.567 26.957 27.619 1.00 0.00 C ATOM 682 C PHE A 44 6.357 26.430 28.390 1.00 0.00 C ATOM 683 O PHE A 44 5.240 26.497 27.915 1.00 0.00 O ATOM 684 CB PHE A 44 7.144 28.207 26.826 1.00 0.00 C ATOM 685 CG PHE A 44 6.743 29.318 27.801 1.00 0.00 C ATOM 686 CD1 PHE A 44 5.433 29.767 27.857 1.00 0.00 C ATOM 687 CD2 PHE A 44 7.685 29.891 28.640 1.00 0.00 C ATOM 688 CE1 PHE A 44 5.075 30.769 28.734 1.00 0.00 C ATOM 689 CE2 PHE A 44 7.321 30.894 29.517 1.00 0.00 C ATOM 690 CZ PHE A 44 6.017 31.331 29.562 1.00 0.00 C ATOM 0 H PHE A 44 9.073 25.713 26.752 1.00 0.00 H new ATOM 0 HA PHE A 44 8.355 27.193 28.334 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.964 28.543 26.192 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.309 27.968 26.167 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.688 29.329 27.209 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.710 29.551 28.608 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.052 31.113 28.770 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.061 31.336 30.168 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.734 32.116 30.248 1.00 0.00 H new ATOM 700 N ILE A 45 6.608 25.921 29.574 1.00 0.00 N ATOM 701 CA ILE A 45 5.497 25.387 30.395 1.00 0.00 C ATOM 702 C ILE A 45 5.685 25.740 31.867 1.00 0.00 C ATOM 703 O ILE A 45 6.609 25.277 32.506 1.00 0.00 O ATOM 704 CB ILE A 45 5.481 23.866 30.262 1.00 0.00 C ATOM 705 CG1 ILE A 45 5.027 23.471 28.865 1.00 0.00 C ATOM 706 CG2 ILE A 45 4.478 23.299 31.283 1.00 0.00 C ATOM 707 CD1 ILE A 45 5.472 22.033 28.584 1.00 0.00 C ATOM 0 H ILE A 45 7.534 25.857 29.998 1.00 0.00 H new ATOM 0 HA ILE A 45 4.562 25.825 30.045 1.00 0.00 H new ATOM 0 HB ILE A 45 6.482 23.474 30.441 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.943 23.552 28.784 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.453 24.148 28.125 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.453 22.212 31.203 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.785 23.582 32.290 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.485 23.701 31.080 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.151 21.741 27.584 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.558 21.969 28.649 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.024 21.364 29.319 1.00 0.00 H new ATOM 719 N ARG A 46 4.803 26.554 32.380 1.00 0.00 N ATOM 720 CA ARG A 46 4.918 26.945 33.805 1.00 0.00 C ATOM 721 C ARG A 46 4.857 25.715 34.706 1.00 0.00 C ATOM 722 O ARG A 46 4.047 24.833 34.494 1.00 0.00 O ATOM 723 CB ARG A 46 3.740 27.870 34.150 1.00 0.00 C ATOM 724 CG ARG A 46 3.843 29.150 33.318 1.00 0.00 C ATOM 725 CD ARG A 46 2.794 30.149 33.809 1.00 0.00 C ATOM 726 NE ARG A 46 2.622 31.217 32.788 1.00 0.00 N ATOM 727 CZ ARG A 46 1.547 31.953 32.810 1.00 0.00 C ATOM 728 NH1 ARG A 46 1.550 33.052 33.514 1.00 0.00 N ATOM 729 NH2 ARG A 46 0.501 31.565 32.133 1.00 0.00 N ATOM 0 H ARG A 46 4.015 26.960 31.875 1.00 0.00 H new ATOM 0 HA ARG A 46 5.871 27.450 33.963 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.795 27.366 33.947 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.751 28.111 35.213 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.841 29.578 33.408 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.685 28.927 32.263 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.846 29.642 33.986 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.105 30.584 34.759 1.00 0.00 H new ATOM 0 HE ARG A 46 3.338 31.372 32.078 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.385 33.322 34.035 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.718 33.641 33.543 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.533 30.697 31.598 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.349 32.129 32.139 1.00 0.00 H new ATOM 743 N ILE A 47 5.715 25.681 35.699 1.00 0.00 N ATOM 744 CA ILE A 47 5.723 24.514 36.627 1.00 0.00 C ATOM 745 C ILE A 47 5.040 24.848 37.944 1.00 0.00 C ATOM 746 O ILE A 47 5.054 25.978 38.392 1.00 0.00 O ATOM 747 CB ILE A 47 7.167 24.136 36.928 1.00 0.00 C ATOM 748 CG1 ILE A 47 7.927 23.895 35.629 1.00 0.00 C ATOM 749 CG2 ILE A 47 7.157 22.834 37.753 1.00 0.00 C ATOM 750 CD1 ILE A 47 7.056 23.066 34.684 1.00 0.00 C ATOM 0 H ILE A 47 6.403 26.406 35.903 1.00 0.00 H new ATOM 0 HA ILE A 47 5.187 23.695 36.148 1.00 0.00 H new ATOM 0 HB ILE A 47 7.654 24.942 37.478 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.187 24.846 35.164 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.862 23.374 35.832 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.181 22.541 37.982 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.609 22.996 38.681 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.673 22.043 37.179 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.595 22.890 33.753 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.819 22.110 35.152 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.133 23.605 34.473 1.00 0.00 H new ATOM 762 N LEU A 48 4.454 23.849 38.543 1.00 0.00 N ATOM 763 CA LEU A 48 3.765 24.073 39.831 1.00 0.00 C ATOM 764 C LEU A 48 3.498 22.745 40.532 1.00 0.00 C ATOM 765 O LEU A 48 3.065 21.796 39.918 1.00 0.00 O ATOM 766 CB LEU A 48 2.418 24.756 39.543 1.00 0.00 C ATOM 767 CG LEU A 48 2.151 25.814 40.615 1.00 0.00 C ATOM 768 CD1 LEU A 48 3.009 27.048 40.328 1.00 0.00 C ATOM 769 CD2 LEU A 48 0.670 26.206 40.575 1.00 0.00 C ATOM 0 H LEU A 48 4.426 22.892 38.192 1.00 0.00 H new ATOM 0 HA LEU A 48 4.392 24.692 40.473 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.434 25.218 38.556 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.616 24.018 39.536 1.00 0.00 H new ATOM 0 HG LEU A 48 2.400 25.415 41.599 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.823 27.806 41.089 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.063 26.770 40.343 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.753 27.449 39.347 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.473 26.960 41.337 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.427 26.611 39.592 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.056 25.326 40.767 1.00 0.00 H new ATOM 781 N GLU A 49 3.771 22.699 41.803 1.00 0.00 N ATOM 782 CA GLU A 49 3.537 21.452 42.541 1.00 0.00 C ATOM 783 C GLU A 49 2.059 21.111 42.539 1.00 0.00 C ATOM 784 O GLU A 49 1.220 21.985 42.452 1.00 0.00 O ATOM 785 CB GLU A 49 4.005 21.649 43.990 1.00 0.00 C ATOM 786 CG GLU A 49 3.403 22.945 44.540 1.00 0.00 C ATOM 787 CD GLU A 49 1.934 22.711 44.900 1.00 0.00 C ATOM 788 OE1 GLU A 49 1.683 21.684 45.508 1.00 0.00 O ATOM 789 OE2 GLU A 49 1.147 23.573 44.544 1.00 0.00 O ATOM 0 H GLU A 49 4.144 23.473 42.353 1.00 0.00 H new ATOM 0 HA GLU A 49 4.087 20.639 42.067 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.697 20.802 44.603 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.093 21.693 44.031 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.957 23.271 45.420 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.485 23.740 43.799 1.00 0.00 H new ATOM 796 N GLY A 50 1.756 19.852 42.633 1.00 0.00 N ATOM 797 CA GLY A 50 0.328 19.458 42.633 1.00 0.00 C ATOM 798 C GLY A 50 -0.226 19.530 41.211 1.00 0.00 C ATOM 799 O GLY A 50 -1.337 19.112 40.952 1.00 0.00 O ATOM 0 H GLY A 50 2.427 19.087 42.709 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.220 18.447 43.025 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.241 20.117 43.289 1.00 0.00 H new ATOM 803 N ASP A 51 0.565 20.069 40.314 1.00 0.00 N ATOM 804 CA ASP A 51 0.104 20.175 38.915 1.00 0.00 C ATOM 805 C ASP A 51 0.099 18.810 38.259 1.00 0.00 C ATOM 806 O ASP A 51 1.050 18.066 38.366 1.00 0.00 O ATOM 807 CB ASP A 51 1.072 21.082 38.149 1.00 0.00 C ATOM 808 CG ASP A 51 0.585 21.246 36.710 1.00 0.00 C ATOM 809 OD1 ASP A 51 -0.532 20.823 36.465 1.00 0.00 O ATOM 810 OD2 ASP A 51 1.358 21.787 35.936 1.00 0.00 O ATOM 0 H ASP A 51 1.500 20.434 40.498 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.906 20.584 38.900 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.137 22.055 38.635 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.074 20.653 38.159 1.00 0.00 H new ATOM 815 N LYS A 52 -0.965 18.498 37.591 1.00 0.00 N ATOM 816 CA LYS A 52 -1.032 17.195 36.939 1.00 0.00 C ATOM 817 C LYS A 52 -0.206 17.167 35.694 1.00 0.00 C ATOM 818 O LYS A 52 -0.145 18.125 34.948 1.00 0.00 O ATOM 819 CB LYS A 52 -2.497 16.881 36.606 1.00 0.00 C ATOM 820 CG LYS A 52 -3.319 16.995 37.890 1.00 0.00 C ATOM 821 CD LYS A 52 -4.640 16.238 37.727 1.00 0.00 C ATOM 822 CE LYS A 52 -5.425 16.311 39.042 1.00 0.00 C ATOM 823 NZ LYS A 52 -6.664 15.486 38.961 1.00 0.00 N ATOM 0 H LYS A 52 -1.784 19.094 37.474 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.632 16.441 37.617 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.872 17.574 35.853 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.584 15.878 36.188 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.757 16.588 38.730 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.515 18.043 38.116 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.224 16.672 36.916 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.448 15.199 37.461 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.801 15.960 39.864 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.685 17.347 39.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.182 15.548 39.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.266 15.839 38.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.410 14.495 38.776 1.00 0.00 H new ATOM 837 N VAL A 53 0.420 16.056 35.491 1.00 0.00 N ATOM 838 CA VAL A 53 1.269 15.913 34.302 1.00 0.00 C ATOM 839 C VAL A 53 1.293 14.481 33.799 1.00 0.00 C ATOM 840 O VAL A 53 0.836 13.576 34.469 1.00 0.00 O ATOM 841 CB VAL A 53 2.681 16.289 34.730 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.662 17.674 35.356 1.00 0.00 C ATOM 843 CG2 VAL A 53 3.172 15.284 35.770 1.00 0.00 C ATOM 0 H VAL A 53 0.378 15.240 36.101 1.00 0.00 H new ATOM 0 HA VAL A 53 0.884 16.544 33.501 1.00 0.00 H new ATOM 0 HB VAL A 53 3.342 16.282 33.863 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.671 17.948 35.664 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.296 18.398 34.628 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.005 17.671 36.226 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.183 15.547 36.081 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.509 15.303 36.635 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.174 14.284 35.337 1.00 0.00 H new ATOM 853 N ASN A 54 1.833 14.295 32.621 1.00 0.00 N ATOM 854 CA ASN A 54 1.899 12.928 32.066 1.00 0.00 C ATOM 855 C ASN A 54 3.221 12.305 32.474 1.00 0.00 C ATOM 856 O ASN A 54 4.273 12.815 32.139 1.00 0.00 O ATOM 857 CB ASN A 54 1.817 13.006 30.534 1.00 0.00 C ATOM 858 CG ASN A 54 0.491 12.402 30.064 1.00 0.00 C ATOM 859 OD1 ASN A 54 -0.571 12.780 30.516 1.00 0.00 O ATOM 860 ND2 ASN A 54 0.510 11.462 29.158 1.00 0.00 N ATOM 0 H ASN A 54 2.225 15.029 32.031 1.00 0.00 H new ATOM 0 HA ASN A 54 1.073 12.324 32.442 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.893 14.043 30.207 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.653 12.469 30.086 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.364 11.049 28.833 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.399 11.141 28.775 1.00 0.00 H new ATOM 867 N VAL A 55 3.146 11.211 33.183 1.00 0.00 N ATOM 868 CA VAL A 55 4.386 10.540 33.629 1.00 0.00 C ATOM 869 C VAL A 55 4.691 9.287 32.831 1.00 0.00 C ATOM 870 O VAL A 55 3.941 8.331 32.855 1.00 0.00 O ATOM 871 CB VAL A 55 4.186 10.124 35.093 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.498 9.571 35.649 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.764 11.345 35.911 1.00 0.00 C ATOM 0 H VAL A 55 2.278 10.758 33.469 1.00 0.00 H new ATOM 0 HA VAL A 55 5.215 11.235 33.493 1.00 0.00 H new ATOM 0 HB VAL A 55 3.414 9.357 35.153 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.357 9.275 36.689 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.805 8.704 35.064 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.270 10.339 35.592 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.621 11.054 36.952 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.539 12.109 35.851 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.830 11.744 35.514 1.00 0.00 H new ATOM 883 N GLU A 56 5.793 9.313 32.138 1.00 0.00 N ATOM 884 CA GLU A 56 6.178 8.138 31.333 1.00 0.00 C ATOM 885 C GLU A 56 7.110 7.265 32.156 1.00 0.00 C ATOM 886 O GLU A 56 8.163 7.710 32.582 1.00 0.00 O ATOM 887 CB GLU A 56 6.916 8.621 30.082 1.00 0.00 C ATOM 888 CG GLU A 56 7.436 10.026 30.333 1.00 0.00 C ATOM 889 CD GLU A 56 8.341 10.444 29.175 1.00 0.00 C ATOM 890 OE1 GLU A 56 7.937 11.356 28.475 1.00 0.00 O ATOM 891 OE2 GLU A 56 9.386 9.826 29.056 1.00 0.00 O ATOM 0 H GLU A 56 6.440 10.101 32.098 1.00 0.00 H new ATOM 0 HA GLU A 56 5.294 7.569 31.047 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.742 7.949 29.848 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.246 8.614 29.222 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.603 10.723 30.429 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.989 10.059 31.272 1.00 0.00 H new ATOM 898 N LEU A 57 6.706 6.049 32.382 1.00 0.00 N ATOM 899 CA LEU A 57 7.558 5.134 33.180 1.00 0.00 C ATOM 900 C LEU A 57 8.477 4.304 32.284 1.00 0.00 C ATOM 901 O LEU A 57 8.218 4.141 31.108 1.00 0.00 O ATOM 902 CB LEU A 57 6.632 4.196 33.959 1.00 0.00 C ATOM 903 CG LEU A 57 5.635 5.040 34.762 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.399 4.196 35.082 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.294 5.487 36.064 1.00 0.00 C ATOM 0 H LEU A 57 5.827 5.652 32.050 1.00 0.00 H new ATOM 0 HA LEU A 57 8.187 5.720 33.850 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.101 3.535 33.274 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.214 3.561 34.628 1.00 0.00 H new ATOM 0 HG LEU A 57 5.339 5.913 34.181 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.688 4.793 35.653 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.933 3.867 34.153 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.694 3.326 35.668 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.590 6.088 36.640 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.584 4.611 36.645 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.179 6.082 35.838 1.00 0.00 H new ATOM 917 N SER A 58 9.538 3.787 32.865 1.00 0.00 N ATOM 918 CA SER A 58 10.486 2.966 32.058 1.00 0.00 C ATOM 919 C SER A 58 10.167 1.453 32.168 1.00 0.00 C ATOM 920 O SER A 58 9.820 0.970 33.229 1.00 0.00 O ATOM 921 CB SER A 58 11.898 3.206 32.606 1.00 0.00 C ATOM 922 OG SER A 58 12.131 4.585 32.369 1.00 0.00 O ATOM 0 H SER A 58 9.781 3.899 33.849 1.00 0.00 H new ATOM 0 HA SER A 58 10.400 3.257 31.011 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.959 2.968 33.668 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.634 2.584 32.097 1.00 0.00 H new ATOM 0 HG SER A 58 13.023 4.827 32.695 1.00 0.00 H new ATOM 928 N PRO A 59 10.297 0.728 31.049 1.00 0.00 N ATOM 929 CA PRO A 59 10.024 -0.717 31.025 1.00 0.00 C ATOM 930 C PRO A 59 11.076 -1.514 31.802 1.00 0.00 C ATOM 931 O PRO A 59 10.826 -2.625 32.224 1.00 0.00 O ATOM 932 CB PRO A 59 10.116 -1.108 29.537 1.00 0.00 C ATOM 933 CG PRO A 59 10.683 0.122 28.769 1.00 0.00 C ATOM 934 CD PRO A 59 10.683 1.305 29.748 1.00 0.00 C ATOM 0 HA PRO A 59 9.059 -0.933 31.483 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.764 -1.975 29.407 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.135 -1.383 29.151 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.692 -0.080 28.409 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.072 0.346 27.895 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.666 1.773 29.801 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.979 2.076 29.434 1.00 0.00 H new ATOM 942 N TYR A 60 12.233 -0.933 31.976 1.00 0.00 N ATOM 943 CA TYR A 60 13.286 -1.630 32.706 1.00 0.00 C ATOM 944 C TYR A 60 13.154 -1.338 34.170 1.00 0.00 C ATOM 945 O TYR A 60 13.564 -2.116 35.011 1.00 0.00 O ATOM 946 CB TYR A 60 14.650 -1.120 32.212 1.00 0.00 C ATOM 947 CG TYR A 60 15.175 -2.049 31.112 1.00 0.00 C ATOM 948 CD1 TYR A 60 14.302 -2.687 30.251 1.00 0.00 C ATOM 949 CD2 TYR A 60 16.532 -2.259 30.964 1.00 0.00 C ATOM 950 CE1 TYR A 60 14.781 -3.522 29.261 1.00 0.00 C ATOM 951 CE2 TYR A 60 17.008 -3.093 29.973 1.00 0.00 C ATOM 952 CZ TYR A 60 16.138 -3.731 29.114 1.00 0.00 C ATOM 953 OH TYR A 60 16.615 -4.564 28.123 1.00 0.00 O ATOM 0 H TYR A 60 12.478 -0.003 31.636 1.00 0.00 H new ATOM 0 HA TYR A 60 13.204 -2.704 32.540 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.553 -0.104 31.829 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.358 -1.083 33.040 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.238 -2.531 30.353 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.226 -1.767 31.629 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.088 -4.016 28.596 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.072 -3.248 29.869 1.00 0.00 H new ATOM 0 HH TYR A 60 17.594 -4.594 28.164 1.00 0.00 H new ATOM 963 N ASP A 61 12.579 -0.209 34.453 1.00 0.00 N ATOM 964 CA ASP A 61 12.397 0.173 35.849 1.00 0.00 C ATOM 965 C ASP A 61 11.127 0.997 36.005 1.00 0.00 C ATOM 966 O ASP A 61 11.148 2.209 35.919 1.00 0.00 O ATOM 967 CB ASP A 61 13.616 1.004 36.297 1.00 0.00 C ATOM 968 CG ASP A 61 14.441 1.400 35.070 1.00 0.00 C ATOM 969 OD1 ASP A 61 15.650 1.271 35.166 1.00 0.00 O ATOM 970 OD2 ASP A 61 13.816 1.808 34.106 1.00 0.00 O ATOM 0 H ASP A 61 12.230 0.460 33.766 1.00 0.00 H new ATOM 0 HA ASP A 61 12.309 -0.722 36.465 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.286 1.896 36.830 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.228 0.427 36.990 1.00 0.00 H new ATOM 975 N LEU A 62 10.033 0.318 36.216 1.00 0.00 N ATOM 976 CA LEU A 62 8.754 1.038 36.378 1.00 0.00 C ATOM 977 C LEU A 62 8.721 1.754 37.708 1.00 0.00 C ATOM 978 O LEU A 62 7.672 2.093 38.216 1.00 0.00 O ATOM 979 CB LEU A 62 7.610 0.020 36.318 1.00 0.00 C ATOM 980 CG LEU A 62 7.684 -0.727 34.987 1.00 0.00 C ATOM 981 CD1 LEU A 62 7.226 -2.169 35.193 1.00 0.00 C ATOM 982 CD2 LEU A 62 6.764 -0.045 33.973 1.00 0.00 C ATOM 0 H LEU A 62 9.976 -0.698 36.282 1.00 0.00 H new ATOM 0 HA LEU A 62 8.648 1.775 35.582 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.685 -0.681 37.149 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.649 0.526 36.414 1.00 0.00 H new ATOM 0 HG LEU A 62 8.709 -0.717 34.617 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.277 -2.706 34.246 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.874 -2.656 35.922 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.199 -2.176 35.559 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.814 -0.575 33.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.739 -0.061 34.344 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.082 0.988 33.830 1.00 0.00 H new ATOM 994 N THR A 63 9.882 1.969 38.242 1.00 0.00 N ATOM 995 CA THR A 63 9.981 2.662 39.544 1.00 0.00 C ATOM 996 C THR A 63 10.301 4.132 39.333 1.00 0.00 C ATOM 997 O THR A 63 10.216 4.924 40.245 1.00 0.00 O ATOM 998 CB THR A 63 11.117 2.020 40.341 1.00 0.00 C ATOM 999 OG1 THR A 63 12.166 1.838 39.414 1.00 0.00 O ATOM 1000 CG2 THR A 63 10.741 0.598 40.784 1.00 0.00 C ATOM 0 H THR A 63 10.773 1.692 37.829 1.00 0.00 H new ATOM 0 HA THR A 63 9.034 2.578 40.077 1.00 0.00 H new ATOM 0 HB THR A 63 11.355 2.638 41.207 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.933 1.428 39.865 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.565 0.163 41.349 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.851 0.636 41.412 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.540 -0.015 39.906 1.00 0.00 H new ATOM 1008 N ARG A 64 10.674 4.463 38.121 1.00 0.00 N ATOM 1009 CA ARG A 64 11.011 5.877 37.808 1.00 0.00 C ATOM 1010 C ARG A 64 10.434 6.281 36.459 1.00 0.00 C ATOM 1011 O ARG A 64 10.269 5.461 35.571 1.00 0.00 O ATOM 1012 CB ARG A 64 12.541 6.007 37.731 1.00 0.00 C ATOM 1013 CG ARG A 64 13.147 5.776 39.116 1.00 0.00 C ATOM 1014 CD ARG A 64 14.511 5.104 38.955 1.00 0.00 C ATOM 1015 NE ARG A 64 15.183 5.661 37.745 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.486 5.720 37.706 1.00 0.00 C ATOM 1017 NH1 ARG A 64 17.175 4.638 37.946 1.00 0.00 N ATOM 1018 NH2 ARG A 64 17.056 6.860 37.428 1.00 0.00 N ATOM 0 H ARG A 64 10.758 3.813 37.339 1.00 0.00 H new ATOM 0 HA ARG A 64 10.595 6.519 38.584 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.942 5.283 37.022 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.814 6.997 37.364 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.254 6.724 39.643 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.487 5.150 39.716 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.123 5.277 39.840 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.391 4.025 38.857 1.00 0.00 H new ATOM 0 HE ARG A 64 14.629 5.993 36.955 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.694 3.764 38.160 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.194 4.666 37.920 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.484 7.685 37.246 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.073 6.926 37.393 1.00 0.00 H new ATOM 1032 N GLY A 65 10.134 7.536 36.335 1.00 0.00 N ATOM 1033 CA GLY A 65 9.566 8.034 35.056 1.00 0.00 C ATOM 1034 C GLY A 65 10.050 9.460 34.807 1.00 0.00 C ATOM 1035 O GLY A 65 11.112 9.844 35.260 1.00 0.00 O ATOM 0 H GLY A 65 10.256 8.241 37.062 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.870 7.386 34.234 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.477 8.010 35.095 1.00 0.00 H new ATOM 1039 N ARG A 66 9.281 10.212 34.082 1.00 0.00 N ATOM 1040 CA ARG A 66 9.704 11.617 33.810 1.00 0.00 C ATOM 1041 C ARG A 66 8.551 12.455 33.262 1.00 0.00 C ATOM 1042 O ARG A 66 7.691 11.962 32.565 1.00 0.00 O ATOM 1043 CB ARG A 66 10.858 11.609 32.786 1.00 0.00 C ATOM 1044 CG ARG A 66 10.542 10.632 31.649 1.00 0.00 C ATOM 1045 CD ARG A 66 11.844 10.254 30.932 1.00 0.00 C ATOM 1046 NE ARG A 66 11.655 8.951 30.235 1.00 0.00 N ATOM 1047 CZ ARG A 66 12.686 8.176 30.028 1.00 0.00 C ATOM 1048 NH1 ARG A 66 12.502 7.036 29.423 1.00 0.00 N ATOM 1049 NH2 ARG A 66 13.864 8.568 30.433 1.00 0.00 N ATOM 0 H ARG A 66 8.392 9.928 33.670 1.00 0.00 H new ATOM 0 HA ARG A 66 10.029 12.062 34.750 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.006 12.612 32.385 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.788 11.321 33.276 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.058 9.739 32.045 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.845 11.087 30.946 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.117 11.028 30.215 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.661 10.182 31.650 1.00 0.00 H new ATOM 0 HE ARG A 66 10.727 8.666 29.922 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.566 6.764 29.121 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.294 6.416 29.252 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.969 9.467 30.903 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.680 7.975 30.279 1.00 0.00 H new ATOM 1063 N ILE A 67 8.561 13.719 33.604 1.00 0.00 N ATOM 1064 CA ILE A 67 7.484 14.629 33.124 1.00 0.00 C ATOM 1065 C ILE A 67 7.890 15.318 31.831 1.00 0.00 C ATOM 1066 O ILE A 67 8.852 16.059 31.805 1.00 0.00 O ATOM 1067 CB ILE A 67 7.272 15.711 34.179 1.00 0.00 C ATOM 1068 CG1 ILE A 67 7.117 15.079 35.553 1.00 0.00 C ATOM 1069 CG2 ILE A 67 5.987 16.481 33.840 1.00 0.00 C ATOM 1070 CD1 ILE A 67 6.039 13.999 35.491 1.00 0.00 C ATOM 0 H ILE A 67 9.268 14.157 34.194 1.00 0.00 H new ATOM 0 HA ILE A 67 6.581 14.044 32.951 1.00 0.00 H new ATOM 0 HB ILE A 67 8.132 16.381 34.188 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.064 14.646 35.876 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.846 15.838 36.287 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.821 17.259 34.586 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.086 16.938 32.855 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.141 15.794 33.838 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.924 13.543 36.474 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.093 14.446 35.186 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.329 13.236 34.769 1.00 0.00 H new ATOM 1082 N THR A 68 7.155 15.055 30.783 1.00 0.00 N ATOM 1083 CA THR A 68 7.474 15.685 29.472 1.00 0.00 C ATOM 1084 C THR A 68 6.244 16.363 28.879 1.00 0.00 C ATOM 1085 O THR A 68 6.267 16.807 27.748 1.00 0.00 O ATOM 1086 CB THR A 68 7.947 14.593 28.510 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.954 13.591 28.558 1.00 0.00 O ATOM 1088 CG2 THR A 68 9.213 13.907 29.040 1.00 0.00 C ATOM 0 H THR A 68 6.348 14.431 30.780 1.00 0.00 H new ATOM 0 HA THR A 68 8.248 16.438 29.621 1.00 0.00 H new ATOM 0 HB THR A 68 8.130 15.026 27.526 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.070 14.001 28.455 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.529 13.135 28.339 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.008 14.645 29.150 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.003 13.453 30.008 1.00 0.00 H new ATOM 1096 N TRP A 69 5.184 16.434 29.649 1.00 0.00 N ATOM 1097 CA TRP A 69 3.957 17.078 29.121 1.00 0.00 C ATOM 1098 C TRP A 69 2.902 17.300 30.211 1.00 0.00 C ATOM 1099 O TRP A 69 2.538 16.388 30.924 1.00 0.00 O ATOM 1100 CB TRP A 69 3.369 16.120 28.073 1.00 0.00 C ATOM 1101 CG TRP A 69 3.916 14.699 28.336 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.203 14.215 29.544 1.00 0.00 C ATOM 1103 CD2 TRP A 69 4.194 13.824 27.403 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.677 12.988 29.295 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.705 12.654 27.949 1.00 0.00 C ATOM 1106 CE3 TRP A 69 4.044 13.934 26.033 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 5.062 11.608 27.126 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 4.403 12.884 25.213 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.911 11.721 25.759 1.00 0.00 C ATOM 0 H TRP A 69 5.122 16.078 30.603 1.00 0.00 H new ATOM 0 HA TRP A 69 4.217 18.053 28.710 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.280 16.122 28.129 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.637 16.448 27.069 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.081 14.700 30.501 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.990 12.354 30.030 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.646 14.842 25.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.460 10.699 27.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.287 12.971 24.143 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.190 10.900 25.116 1.00 0.00 H new ATOM 1120 N ARG A 70 2.427 18.512 30.316 1.00 0.00 N ATOM 1121 CA ARG A 70 1.412 18.802 31.334 1.00 0.00 C ATOM 1122 C ARG A 70 0.066 18.183 30.942 1.00 0.00 C ATOM 1123 O ARG A 70 -0.151 17.846 29.795 1.00 0.00 O ATOM 1124 CB ARG A 70 1.246 20.328 31.438 1.00 0.00 C ATOM 1125 CG ARG A 70 0.466 20.664 32.712 1.00 0.00 C ATOM 1126 CD ARG A 70 -0.977 21.010 32.342 1.00 0.00 C ATOM 1127 NE ARG A 70 -0.987 22.279 31.560 1.00 0.00 N ATOM 1128 CZ ARG A 70 -2.097 22.674 30.999 1.00 0.00 C ATOM 1129 NH1 ARG A 70 -2.041 23.276 29.842 1.00 0.00 N ATOM 1130 NH2 ARG A 70 -3.227 22.458 31.615 1.00 0.00 N ATOM 0 H ARG A 70 2.706 19.304 29.736 1.00 0.00 H new ATOM 0 HA ARG A 70 1.730 18.380 32.288 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.223 20.812 31.457 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.719 20.709 30.563 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.485 19.817 33.398 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.933 21.503 33.228 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.419 20.204 31.757 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.581 21.118 33.243 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.136 22.832 31.464 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.139 23.431 29.391 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.899 23.591 29.389 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.233 21.987 32.520 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.104 22.760 31.192 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.811 18.050 31.900 1.00 0.00 N ATOM 1145 CA LYS A 71 -2.141 17.456 31.596 1.00 0.00 C ATOM 1146 C LYS A 71 -2.712 18.010 30.293 1.00 0.00 C ATOM 1147 O LYS A 71 -2.672 19.198 30.047 1.00 0.00 O ATOM 1148 CB LYS A 71 -3.102 17.811 32.742 1.00 0.00 C ATOM 1149 CG LYS A 71 -4.405 17.022 32.569 1.00 0.00 C ATOM 1150 CD LYS A 71 -4.718 16.280 33.871 1.00 0.00 C ATOM 1151 CE LYS A 71 -5.936 15.377 33.654 1.00 0.00 C ATOM 1152 NZ LYS A 71 -6.114 14.450 34.808 1.00 0.00 N ATOM 0 H LYS A 71 -0.665 18.325 32.871 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.027 16.377 31.491 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.645 17.575 33.703 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.308 18.881 32.742 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.222 17.697 32.315 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.309 16.314 31.746 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.859 15.685 34.180 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.916 16.993 34.671 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.830 15.987 33.530 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.811 14.803 32.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.123 14.389 35.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.762 13.506 34.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.581 14.808 35.626 1.00 0.00 H new