USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=12 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 28 ASN : amide:sc= -4.52! K(o=-6.4!,f=-5.8) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -1.9 K(o=-6.4,f=-7.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 90:sc= -0.171 USER MOD Single : A 19 ASN : amide:sc= 0.211 X(o=0.21,f=0) USER MOD Single : A 21 MET CE :methyl -164:sc= -0.0164 (180deg=-0.497) USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= -0.638 (180deg=-2.04!) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.2 (180deg=-1.04) USER MOD Single : A 34 CYS SG : rot -14:sc= -0.53 USER MOD Single : A 35 HIS : no HD1:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc=-0.00122 (180deg=-0.0783) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.04! K(o=-3!,f=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.44) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.086 USER MOD Single : A 68 THR OG1 : rot -38:sc= -1.78! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 6 7.253 3.076 25.887 1.00 0.00 N ATOM 84 CA VAL A 6 7.173 3.302 27.353 1.00 0.00 C ATOM 85 C VAL A 6 5.733 3.260 27.843 1.00 0.00 C ATOM 86 O VAL A 6 4.808 3.177 27.057 1.00 0.00 O ATOM 87 CB VAL A 6 7.739 4.700 27.648 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.236 4.597 27.928 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.518 5.598 26.429 1.00 0.00 C ATOM 0 HA VAL A 6 7.736 2.519 27.861 1.00 0.00 H new ATOM 0 HB VAL A 6 7.234 5.121 28.517 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.636 5.589 28.137 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.401 3.950 28.790 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.741 4.178 27.058 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.917 6.592 26.632 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.028 5.171 25.565 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.451 5.672 26.220 1.00 0.00 H new ATOM 99 N ILE A 7 5.572 3.320 29.143 1.00 0.00 N ATOM 100 CA ILE A 7 4.202 3.288 29.720 1.00 0.00 C ATOM 101 C ILE A 7 3.775 4.692 30.117 1.00 0.00 C ATOM 102 O ILE A 7 4.181 5.203 31.140 1.00 0.00 O ATOM 103 CB ILE A 7 4.223 2.404 30.968 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.824 1.050 30.623 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.776 2.192 31.447 1.00 0.00 C ATOM 106 CD1 ILE A 7 4.051 0.443 29.449 1.00 0.00 C ATOM 0 H ILE A 7 6.330 3.389 29.822 1.00 0.00 H new ATOM 0 HA ILE A 7 3.502 2.895 28.983 1.00 0.00 H new ATOM 0 HB ILE A 7 4.818 2.883 31.746 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.877 1.161 30.363 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.778 0.387 31.487 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.776 1.563 32.337 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.326 3.156 31.684 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.199 1.707 30.660 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.477 -0.528 29.196 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.005 0.319 29.728 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.121 1.105 28.586 1.00 0.00 H new ATOM 118 N GLU A 8 2.960 5.293 29.296 1.00 0.00 N ATOM 119 CA GLU A 8 2.496 6.666 29.606 1.00 0.00 C ATOM 120 C GLU A 8 1.314 6.654 30.566 1.00 0.00 C ATOM 121 O GLU A 8 0.275 6.098 30.267 1.00 0.00 O ATOM 122 CB GLU A 8 2.054 7.328 28.293 1.00 0.00 C ATOM 123 CG GLU A 8 3.198 7.254 27.280 1.00 0.00 C ATOM 124 CD GLU A 8 2.617 7.098 25.875 1.00 0.00 C ATOM 125 OE1 GLU A 8 3.366 6.642 25.026 1.00 0.00 O ATOM 126 OE2 GLU A 8 1.456 7.441 25.727 1.00 0.00 O ATOM 0 H GLU A 8 2.599 4.893 28.430 1.00 0.00 H new ATOM 0 HA GLU A 8 3.312 7.213 30.078 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.171 6.826 27.899 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.777 8.367 28.471 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.808 8.156 27.336 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.851 6.413 27.512 1.00 0.00 H new ATOM 133 N LEU A 9 1.504 7.267 31.709 1.00 0.00 N ATOM 134 CA LEU A 9 0.408 7.314 32.719 1.00 0.00 C ATOM 135 C LEU A 9 0.257 8.725 33.276 1.00 0.00 C ATOM 136 O LEU A 9 1.181 9.512 33.230 1.00 0.00 O ATOM 137 CB LEU A 9 0.766 6.364 33.873 1.00 0.00 C ATOM 138 CG LEU A 9 0.257 4.959 33.547 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.625 4.014 34.691 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.265 4.995 33.394 1.00 0.00 C ATOM 0 H LEU A 9 2.368 7.734 31.983 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.528 7.017 32.246 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.845 6.346 34.023 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.320 6.718 34.803 1.00 0.00 H new ATOM 0 HG LEU A 9 0.711 4.610 32.619 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.265 3.011 34.464 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.708 3.992 34.811 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.165 4.365 35.615 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.631 3.995 33.162 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.716 5.339 34.325 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.534 5.676 32.587 1.00 0.00 H new ATOM 152 N GLU A 10 -0.906 9.022 33.795 1.00 0.00 N ATOM 153 CA GLU A 10 -1.127 10.379 34.358 1.00 0.00 C ATOM 154 C GLU A 10 -0.826 10.409 35.846 1.00 0.00 C ATOM 155 O GLU A 10 -1.086 9.454 36.550 1.00 0.00 O ATOM 156 CB GLU A 10 -2.598 10.764 34.141 1.00 0.00 C ATOM 157 CG GLU A 10 -2.696 11.720 32.951 1.00 0.00 C ATOM 158 CD GLU A 10 -4.169 11.943 32.603 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.622 13.049 32.852 1.00 0.00 O ATOM 160 OE2 GLU A 10 -4.757 10.996 32.108 1.00 0.00 O ATOM 0 H GLU A 10 -1.703 8.388 33.852 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.461 11.081 33.856 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.197 9.872 33.957 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.999 11.237 35.037 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.219 12.670 33.193 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.166 11.307 32.093 1.00 0.00 H new ATOM 167 N GLY A 11 -0.282 11.510 36.308 1.00 0.00 N ATOM 168 CA GLY A 11 0.035 11.602 37.754 1.00 0.00 C ATOM 169 C GLY A 11 0.038 13.056 38.192 1.00 0.00 C ATOM 170 O GLY A 11 0.105 13.949 37.370 1.00 0.00 O ATOM 0 H GLY A 11 -0.050 12.332 35.751 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.699 11.041 38.332 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.008 11.152 37.951 1.00 0.00 H new ATOM 174 N THR A 12 -0.043 13.266 39.481 1.00 0.00 N ATOM 175 CA THR A 12 -0.045 14.654 40.004 1.00 0.00 C ATOM 176 C THR A 12 1.215 14.910 40.803 1.00 0.00 C ATOM 177 O THR A 12 1.574 14.128 41.661 1.00 0.00 O ATOM 178 CB THR A 12 -1.260 14.826 40.921 1.00 0.00 C ATOM 179 OG1 THR A 12 -2.370 14.949 40.053 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.199 16.170 41.662 1.00 0.00 C ATOM 0 H THR A 12 -0.108 12.534 40.188 1.00 0.00 H new ATOM 0 HA THR A 12 -0.089 15.357 39.172 1.00 0.00 H new ATOM 0 HB THR A 12 -1.307 14.000 41.631 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.188 15.061 40.581 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.072 16.270 42.307 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.294 16.211 42.268 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.188 16.985 40.938 1.00 0.00 H new ATOM 188 N VAL A 13 1.874 15.996 40.515 1.00 0.00 N ATOM 189 CA VAL A 13 3.117 16.291 41.268 1.00 0.00 C ATOM 190 C VAL A 13 2.821 16.545 42.729 1.00 0.00 C ATOM 191 O VAL A 13 2.144 17.498 43.075 1.00 0.00 O ATOM 192 CB VAL A 13 3.775 17.534 40.673 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.138 17.744 41.331 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.972 17.324 39.181 1.00 0.00 C ATOM 0 H VAL A 13 1.611 16.679 39.805 1.00 0.00 H new ATOM 0 HA VAL A 13 3.781 15.430 41.192 1.00 0.00 H new ATOM 0 HB VAL A 13 3.143 18.405 40.846 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.613 18.630 40.910 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.007 17.878 42.405 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.768 16.874 41.148 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.442 18.207 38.748 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.611 16.456 39.017 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.005 17.158 38.706 1.00 0.00 H new ATOM 204 N SER A 14 3.348 15.689 43.568 1.00 0.00 N ATOM 205 CA SER A 14 3.113 15.853 45.021 1.00 0.00 C ATOM 206 C SER A 14 4.282 16.562 45.708 1.00 0.00 C ATOM 207 O SER A 14 4.082 17.300 46.655 1.00 0.00 O ATOM 208 CB SER A 14 2.953 14.455 45.640 1.00 0.00 C ATOM 209 OG SER A 14 1.704 13.997 45.148 1.00 0.00 O ATOM 0 H SER A 14 3.926 14.891 43.305 1.00 0.00 H new ATOM 0 HA SER A 14 2.219 16.461 45.162 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.766 13.792 45.342 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.960 14.499 46.729 1.00 0.00 H new ATOM 0 HG SER A 14 1.840 13.521 44.303 1.00 0.00 H new ATOM 215 N GLU A 15 5.482 16.329 45.225 1.00 0.00 N ATOM 216 CA GLU A 15 6.664 16.993 45.855 1.00 0.00 C ATOM 217 C GLU A 15 7.682 17.414 44.805 1.00 0.00 C ATOM 218 O GLU A 15 7.707 16.880 43.713 1.00 0.00 O ATOM 219 CB GLU A 15 7.331 15.991 46.815 1.00 0.00 C ATOM 220 CG GLU A 15 7.899 16.748 48.019 1.00 0.00 C ATOM 221 CD GLU A 15 8.300 15.747 49.105 1.00 0.00 C ATOM 222 OE1 GLU A 15 9.289 16.029 49.763 1.00 0.00 O ATOM 223 OE2 GLU A 15 7.596 14.756 49.216 1.00 0.00 O ATOM 0 H GLU A 15 5.689 15.718 44.435 1.00 0.00 H new ATOM 0 HA GLU A 15 6.325 17.883 46.386 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.605 15.249 47.147 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.127 15.451 46.301 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.763 17.339 47.716 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.157 17.445 48.408 1.00 0.00 H new ATOM 230 N ALA A 16 8.508 18.374 45.164 1.00 0.00 N ATOM 231 CA ALA A 16 9.546 18.863 44.213 1.00 0.00 C ATOM 232 C ALA A 16 10.940 18.727 44.807 1.00 0.00 C ATOM 233 O ALA A 16 11.253 19.345 45.807 1.00 0.00 O ATOM 234 CB ALA A 16 9.276 20.348 43.924 1.00 0.00 C ATOM 0 H ALA A 16 8.503 18.835 46.074 1.00 0.00 H new ATOM 0 HA ALA A 16 9.498 18.268 43.301 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.026 20.726 43.229 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.285 20.459 43.484 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.325 20.914 44.854 1.00 0.00 H new ATOM 240 N LEU A 17 11.756 17.918 44.175 1.00 0.00 N ATOM 241 CA LEU A 17 13.138 17.725 44.685 1.00 0.00 C ATOM 242 C LEU A 17 14.138 18.606 43.917 1.00 0.00 C ATOM 243 O LEU A 17 13.962 18.868 42.744 1.00 0.00 O ATOM 244 CB LEU A 17 13.516 16.257 44.478 1.00 0.00 C ATOM 245 CG LEU A 17 12.358 15.390 44.947 1.00 0.00 C ATOM 246 CD1 LEU A 17 12.671 13.923 44.656 1.00 0.00 C ATOM 247 CD2 LEU A 17 12.168 15.577 46.450 1.00 0.00 C ATOM 0 H LEU A 17 11.522 17.389 43.335 1.00 0.00 H new ATOM 0 HA LEU A 17 13.174 18.002 45.739 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.731 16.066 43.427 1.00 0.00 H new ATOM 0 HB3 LEU A 17 14.420 16.016 45.037 1.00 0.00 H new ATOM 0 HG LEU A 17 11.448 15.679 44.422 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.842 13.300 44.992 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.816 13.788 43.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.579 13.633 45.184 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.339 14.958 46.792 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.079 15.283 46.971 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.950 16.624 46.662 1.00 0.00 H new ATOM 259 N PRO A 18 15.180 19.049 44.601 1.00 0.00 N ATOM 260 CA PRO A 18 16.197 19.893 43.978 1.00 0.00 C ATOM 261 C PRO A 18 16.876 19.182 42.810 1.00 0.00 C ATOM 262 O PRO A 18 16.950 17.970 42.780 1.00 0.00 O ATOM 263 CB PRO A 18 17.236 20.151 45.093 1.00 0.00 C ATOM 264 CG PRO A 18 16.771 19.356 46.352 1.00 0.00 C ATOM 265 CD PRO A 18 15.405 18.738 46.021 1.00 0.00 C ATOM 0 HA PRO A 18 15.758 20.807 43.579 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.227 19.826 44.777 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.306 21.216 45.315 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.493 18.580 46.605 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.695 20.015 47.217 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.407 17.662 46.194 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.619 19.160 46.647 1.00 0.00 H new ATOM 273 N ASN A 19 17.349 19.962 41.867 1.00 0.00 N ATOM 274 CA ASN A 19 18.036 19.373 40.680 1.00 0.00 C ATOM 275 C ASN A 19 17.038 18.836 39.640 1.00 0.00 C ATOM 276 O ASN A 19 17.189 17.739 39.138 1.00 0.00 O ATOM 277 CB ASN A 19 18.943 18.220 41.160 1.00 0.00 C ATOM 278 CG ASN A 19 20.208 18.185 40.303 1.00 0.00 C ATOM 279 OD1 ASN A 19 21.263 18.621 40.716 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.146 17.676 39.104 1.00 0.00 N ATOM 0 H ASN A 19 17.288 20.980 41.870 1.00 0.00 H new ATOM 0 HA ASN A 19 18.619 20.158 40.199 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.204 18.359 42.209 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.413 17.270 41.087 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.981 17.646 38.519 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.263 17.308 38.751 1.00 0.00 H new ATOM 287 N ALA A 20 16.039 19.624 39.337 1.00 0.00 N ATOM 288 CA ALA A 20 15.027 19.181 38.335 1.00 0.00 C ATOM 289 C ALA A 20 14.513 17.777 38.639 1.00 0.00 C ATOM 290 O ALA A 20 14.605 16.884 37.816 1.00 0.00 O ATOM 291 CB ALA A 20 15.695 19.172 36.950 1.00 0.00 C ATOM 0 H ALA A 20 15.881 20.549 39.737 1.00 0.00 H new ATOM 0 HA ALA A 20 14.181 19.867 38.367 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.973 18.851 36.200 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.046 20.175 36.709 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.540 18.484 36.958 1.00 0.00 H new ATOM 297 N MET A 21 13.968 17.617 39.809 1.00 0.00 N ATOM 298 CA MET A 21 13.441 16.302 40.202 1.00 0.00 C ATOM 299 C MET A 21 12.198 16.492 41.048 1.00 0.00 C ATOM 300 O MET A 21 12.121 17.401 41.843 1.00 0.00 O ATOM 301 CB MET A 21 14.510 15.572 41.032 1.00 0.00 C ATOM 302 CG MET A 21 15.514 14.903 40.088 1.00 0.00 C ATOM 303 SD MET A 21 16.584 13.619 40.784 1.00 0.00 S ATOM 304 CE MET A 21 17.005 14.480 42.319 1.00 0.00 C ATOM 0 H MET A 21 13.868 18.352 40.510 1.00 0.00 H new ATOM 0 HA MET A 21 13.192 15.720 39.315 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.023 16.277 41.687 1.00 0.00 H new ATOM 0 HB3 MET A 21 14.042 14.825 41.673 1.00 0.00 H new ATOM 0 HG2 MET A 21 14.957 14.465 39.260 1.00 0.00 H new ATOM 0 HG3 MET A 21 16.151 15.681 39.668 1.00 0.00 H new ATOM 0 HE1 MET A 21 17.873 14.005 42.776 1.00 0.00 H new ATOM 0 HE2 MET A 21 17.235 15.523 42.100 1.00 0.00 H new ATOM 0 HE3 MET A 21 16.161 14.432 43.007 1.00 0.00 H new ATOM 314 N PHE A 22 11.249 15.640 40.863 1.00 0.00 N ATOM 315 CA PHE A 22 10.004 15.770 41.657 1.00 0.00 C ATOM 316 C PHE A 22 9.289 14.440 41.846 1.00 0.00 C ATOM 317 O PHE A 22 9.590 13.456 41.199 1.00 0.00 O ATOM 318 CB PHE A 22 9.026 16.746 40.946 1.00 0.00 C ATOM 319 CG PHE A 22 9.153 16.676 39.409 1.00 0.00 C ATOM 320 CD1 PHE A 22 8.704 17.737 38.641 1.00 0.00 C ATOM 321 CD2 PHE A 22 9.710 15.581 38.765 1.00 0.00 C ATOM 322 CE1 PHE A 22 8.811 17.700 37.270 1.00 0.00 C ATOM 323 CE2 PHE A 22 9.814 15.565 37.393 1.00 0.00 C ATOM 324 CZ PHE A 22 9.367 16.619 36.655 1.00 0.00 C ATOM 0 H PHE A 22 11.274 14.863 40.203 1.00 0.00 H new ATOM 0 HA PHE A 22 10.297 16.146 42.637 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.002 16.509 41.236 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.224 17.765 41.280 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.267 18.600 39.122 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.063 14.739 39.342 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.453 18.530 36.679 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.253 14.711 36.898 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.454 16.598 35.579 1.00 0.00 H new ATOM 334 N LYS A 23 8.357 14.448 42.766 1.00 0.00 N ATOM 335 CA LYS A 23 7.581 13.224 43.051 1.00 0.00 C ATOM 336 C LYS A 23 6.178 13.379 42.494 1.00 0.00 C ATOM 337 O LYS A 23 5.609 14.452 42.550 1.00 0.00 O ATOM 338 CB LYS A 23 7.490 13.053 44.575 1.00 0.00 C ATOM 339 CG LYS A 23 6.628 11.830 44.893 1.00 0.00 C ATOM 340 CD LYS A 23 6.646 11.585 46.402 1.00 0.00 C ATOM 341 CE LYS A 23 7.893 10.778 46.763 1.00 0.00 C ATOM 342 NZ LYS A 23 8.018 9.593 45.869 1.00 0.00 N ATOM 0 H LYS A 23 8.106 15.260 43.330 1.00 0.00 H new ATOM 0 HA LYS A 23 8.064 12.360 42.595 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.487 12.931 44.999 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.058 13.945 45.028 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.606 11.991 44.550 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.007 10.955 44.365 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.645 12.535 46.937 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.748 11.046 46.706 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.780 11.406 46.672 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.837 10.454 47.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.540 8.840 46.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.070 9.248 45.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.531 9.862 45.005 1.00 0.00 H new ATOM 356 N VAL A 24 5.645 12.312 41.964 1.00 0.00 N ATOM 357 CA VAL A 24 4.273 12.383 41.396 1.00 0.00 C ATOM 358 C VAL A 24 3.438 11.215 41.862 1.00 0.00 C ATOM 359 O VAL A 24 3.872 10.080 41.816 1.00 0.00 O ATOM 360 CB VAL A 24 4.384 12.335 39.872 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.030 11.943 39.277 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.779 13.715 39.355 1.00 0.00 C ATOM 0 H VAL A 24 6.098 11.401 41.901 1.00 0.00 H new ATOM 0 HA VAL A 24 3.795 13.305 41.727 1.00 0.00 H new ATOM 0 HB VAL A 24 5.137 11.602 39.582 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.107 11.908 38.190 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.738 10.962 39.652 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.279 12.679 39.564 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.860 13.687 38.268 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.021 14.443 39.644 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.739 14.003 39.783 1.00 0.00 H new ATOM 372 N LYS A 25 2.249 11.513 42.302 1.00 0.00 N ATOM 373 CA LYS A 25 1.351 10.431 42.784 1.00 0.00 C ATOM 374 C LYS A 25 0.332 10.049 41.716 1.00 0.00 C ATOM 375 O LYS A 25 -0.326 10.897 41.147 1.00 0.00 O ATOM 376 CB LYS A 25 0.606 10.936 44.031 1.00 0.00 C ATOM 377 CG LYS A 25 -0.517 11.876 43.602 1.00 0.00 C ATOM 378 CD LYS A 25 -0.975 12.698 44.811 1.00 0.00 C ATOM 379 CE LYS A 25 -2.485 12.531 44.992 1.00 0.00 C ATOM 380 NZ LYS A 25 -3.199 12.845 43.723 1.00 0.00 N ATOM 0 H LYS A 25 1.862 12.455 42.348 1.00 0.00 H new ATOM 0 HA LYS A 25 1.950 9.551 43.018 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.197 10.094 44.590 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.296 11.455 44.696 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.171 12.537 42.808 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.352 11.304 43.199 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.451 12.369 45.708 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.729 13.750 44.665 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.710 11.510 45.300 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.837 13.188 45.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.144 13.222 43.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.658 13.553 43.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.294 11.979 43.155 1.00 0.00 H new ATOM 394 N LEU A 26 0.233 8.775 41.451 1.00 0.00 N ATOM 395 CA LEU A 26 -0.725 8.317 40.435 1.00 0.00 C ATOM 396 C LEU A 26 -2.106 8.107 41.041 1.00 0.00 C ATOM 397 O LEU A 26 -2.297 8.265 42.231 1.00 0.00 O ATOM 398 CB LEU A 26 -0.219 6.980 39.879 1.00 0.00 C ATOM 399 CG LEU A 26 1.181 7.186 39.293 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.243 6.829 40.336 1.00 0.00 C ATOM 401 CD2 LEU A 26 1.351 6.280 38.075 1.00 0.00 C ATOM 0 H LEU A 26 0.779 8.040 41.900 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.806 9.070 39.651 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.191 6.230 40.669 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.898 6.609 39.111 1.00 0.00 H new ATOM 0 HG LEU A 26 1.299 8.230 39.003 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.235 6.978 39.911 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.123 7.468 41.211 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.128 5.786 40.630 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.346 6.421 37.652 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.229 5.239 38.376 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.600 6.532 37.327 1.00 0.00 H new ATOM 413 N GLU A 27 -3.045 7.756 40.208 1.00 0.00 N ATOM 414 CA GLU A 27 -4.422 7.531 40.713 1.00 0.00 C ATOM 415 C GLU A 27 -4.497 6.226 41.494 1.00 0.00 C ATOM 416 O GLU A 27 -5.270 6.100 42.423 1.00 0.00 O ATOM 417 CB GLU A 27 -5.368 7.439 39.506 1.00 0.00 C ATOM 418 CG GLU A 27 -4.910 8.428 38.433 1.00 0.00 C ATOM 419 CD GLU A 27 -4.849 9.834 39.034 1.00 0.00 C ATOM 420 OE1 GLU A 27 -5.913 10.420 39.149 1.00 0.00 O ATOM 421 OE2 GLU A 27 -3.742 10.243 39.345 1.00 0.00 O ATOM 0 H GLU A 27 -2.917 7.617 39.206 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.704 8.353 41.371 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.370 6.425 39.106 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.390 7.663 39.812 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.930 8.140 38.051 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.599 8.411 37.588 1.00 0.00 H new ATOM 428 N ASN A 28 -3.688 5.280 41.103 1.00 0.00 N ATOM 429 CA ASN A 28 -3.696 3.977 41.809 1.00 0.00 C ATOM 430 C ASN A 28 -3.278 4.156 43.264 1.00 0.00 C ATOM 431 O ASN A 28 -3.404 3.251 44.066 1.00 0.00 O ATOM 432 CB ASN A 28 -2.693 3.044 41.111 1.00 0.00 C ATOM 433 CG ASN A 28 -2.895 1.611 41.609 1.00 0.00 C ATOM 434 OD1 ASN A 28 -2.274 0.683 41.130 1.00 0.00 O ATOM 435 ND2 ASN A 28 -3.751 1.386 42.567 1.00 0.00 N ATOM 0 H ASN A 28 -3.027 5.356 40.330 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.701 3.557 41.783 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.831 3.087 40.031 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.673 3.371 41.315 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.895 0.436 42.909 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.276 2.160 42.974 1.00 0.00 H new ATOM 442 N GLY A 29 -2.786 5.326 43.577 1.00 0.00 N ATOM 443 CA GLY A 29 -2.350 5.591 44.981 1.00 0.00 C ATOM 444 C GLY A 29 -0.834 5.421 45.128 1.00 0.00 C ATOM 445 O GLY A 29 -0.269 5.768 46.145 1.00 0.00 O ATOM 0 H GLY A 29 -2.668 6.104 42.928 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.635 6.603 45.269 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.863 4.910 45.659 1.00 0.00 H new ATOM 449 N HIS A 30 -0.206 4.889 44.115 1.00 0.00 N ATOM 450 CA HIS A 30 1.263 4.698 44.196 1.00 0.00 C ATOM 451 C HIS A 30 2.011 5.957 43.789 1.00 0.00 C ATOM 452 O HIS A 30 1.485 6.788 43.075 1.00 0.00 O ATOM 453 CB HIS A 30 1.639 3.562 43.251 1.00 0.00 C ATOM 454 CG HIS A 30 0.834 2.339 43.649 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.262 2.021 43.155 1.00 0.00 N ATOM 456 CD2 HIS A 30 1.088 1.402 44.626 1.00 0.00 C ATOM 457 CE1 HIS A 30 -0.737 0.990 43.708 1.00 0.00 C ATOM 458 NE2 HIS A 30 0.058 0.514 44.667 1.00 0.00 N ATOM 0 H HIS A 30 -0.643 4.583 43.246 1.00 0.00 H new ATOM 0 HA HIS A 30 1.538 4.466 45.225 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.427 3.839 42.218 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.707 3.352 43.312 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.964 1.376 45.258 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.682 0.544 43.435 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.071 -0.298 45.270 1.00 0.00 H new ATOM 466 N GLU A 31 3.234 6.070 44.259 1.00 0.00 N ATOM 467 CA GLU A 31 4.054 7.256 43.926 1.00 0.00 C ATOM 468 C GLU A 31 5.277 6.851 43.115 1.00 0.00 C ATOM 469 O GLU A 31 5.798 5.765 43.278 1.00 0.00 O ATOM 470 CB GLU A 31 4.523 7.901 45.241 1.00 0.00 C ATOM 471 CG GLU A 31 3.306 8.438 45.997 1.00 0.00 C ATOM 472 CD GLU A 31 3.758 9.027 47.334 1.00 0.00 C ATOM 473 OE1 GLU A 31 4.894 8.759 47.688 1.00 0.00 O ATOM 474 OE2 GLU A 31 2.941 9.713 47.928 1.00 0.00 O ATOM 0 H GLU A 31 3.690 5.384 44.860 1.00 0.00 H new ATOM 0 HA GLU A 31 3.458 7.953 43.337 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.052 7.169 45.851 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.224 8.710 45.034 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.802 9.200 45.403 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.586 7.637 46.165 1.00 0.00 H new ATOM 481 N ILE A 32 5.710 7.733 42.250 1.00 0.00 N ATOM 482 CA ILE A 32 6.899 7.418 41.416 1.00 0.00 C ATOM 483 C ILE A 32 7.781 8.641 41.249 1.00 0.00 C ATOM 484 O ILE A 32 7.302 9.758 41.248 1.00 0.00 O ATOM 485 CB ILE A 32 6.419 6.964 40.057 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.767 5.591 40.175 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.625 6.855 39.109 1.00 0.00 C ATOM 488 CD1 ILE A 32 4.995 5.282 38.890 1.00 0.00 C ATOM 0 H ILE A 32 5.292 8.650 42.089 1.00 0.00 H new ATOM 0 HA ILE A 32 7.483 6.637 41.904 1.00 0.00 H new ATOM 0 HB ILE A 32 5.697 7.683 39.671 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.527 4.829 40.348 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.093 5.569 41.031 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.287 6.528 38.126 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.108 7.828 39.021 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.337 6.132 39.507 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.528 4.300 38.973 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.225 6.038 38.737 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.681 5.287 38.043 1.00 0.00 H new ATOM 500 N LEU A 33 9.057 8.415 41.107 1.00 0.00 N ATOM 501 CA LEU A 33 9.973 9.553 40.939 1.00 0.00 C ATOM 502 C LEU A 33 9.960 10.007 39.501 1.00 0.00 C ATOM 503 O LEU A 33 9.646 9.234 38.618 1.00 0.00 O ATOM 504 CB LEU A 33 11.393 9.097 41.306 1.00 0.00 C ATOM 505 CG LEU A 33 11.491 8.938 42.823 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.323 8.082 43.314 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.808 8.244 43.175 1.00 0.00 C ATOM 0 H LEU A 33 9.494 7.493 41.101 1.00 0.00 H new ATOM 0 HA LEU A 33 9.660 10.376 41.581 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.624 8.152 40.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.124 9.826 40.956 1.00 0.00 H new ATOM 0 HG LEU A 33 11.455 9.918 43.299 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.387 7.965 44.396 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.382 8.569 43.057 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.366 7.102 42.840 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.881 8.129 44.256 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.839 7.262 42.703 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.643 8.846 42.817 1.00 0.00 H new ATOM 519 N CYS A 34 10.284 11.251 39.275 1.00 0.00 N ATOM 520 CA CYS A 34 10.284 11.735 37.882 1.00 0.00 C ATOM 521 C CYS A 34 11.374 12.755 37.649 1.00 0.00 C ATOM 522 O CYS A 34 11.818 13.419 38.566 1.00 0.00 O ATOM 523 CB CYS A 34 8.923 12.393 37.596 1.00 0.00 C ATOM 524 SG CYS A 34 7.438 11.427 37.966 1.00 0.00 S ATOM 0 H CYS A 34 10.543 11.936 39.985 1.00 0.00 H new ATOM 0 HA CYS A 34 10.463 10.887 37.220 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.871 13.321 38.165 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.895 12.664 36.541 1.00 0.00 H new ATOM 0 HG CYS A 34 7.766 10.185 38.162 1.00 0.00 H new ATOM 530 N HIS A 35 11.793 12.845 36.417 1.00 0.00 N ATOM 531 CA HIS A 35 12.859 13.812 36.059 1.00 0.00 C ATOM 532 C HIS A 35 12.395 14.664 34.894 1.00 0.00 C ATOM 533 O HIS A 35 11.703 14.189 34.015 1.00 0.00 O ATOM 534 CB HIS A 35 14.114 13.030 35.639 1.00 0.00 C ATOM 535 CG HIS A 35 15.361 13.872 35.939 1.00 0.00 C ATOM 536 ND1 HIS A 35 16.283 13.532 36.711 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.727 15.115 35.455 1.00 0.00 C ATOM 538 CE1 HIS A 35 17.191 14.417 36.770 1.00 0.00 C ATOM 539 NE2 HIS A 35 16.923 15.471 35.999 1.00 0.00 N ATOM 0 H HIS A 35 11.439 12.286 35.641 1.00 0.00 H new ATOM 0 HA HIS A 35 13.081 14.451 36.913 1.00 0.00 H new ATOM 0 HB2 HIS A 35 14.163 12.083 36.176 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.069 12.792 34.576 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.155 15.708 34.757 1.00 0.00 H new ATOM 0 HE1 HIS A 35 18.080 14.326 37.376 1.00 0.00 H new ATOM 0 HE2 HIS A 35 17.470 16.320 35.855 1.00 0.00 H new ATOM 547 N ILE A 36 12.769 15.908 34.901 1.00 0.00 N ATOM 548 CA ILE A 36 12.347 16.786 33.793 1.00 0.00 C ATOM 549 C ILE A 36 13.064 16.421 32.502 1.00 0.00 C ATOM 550 O ILE A 36 14.255 16.187 32.495 1.00 0.00 O ATOM 551 CB ILE A 36 12.675 18.223 34.172 1.00 0.00 C ATOM 552 CG1 ILE A 36 11.556 18.771 35.036 1.00 0.00 C ATOM 553 CG2 ILE A 36 12.768 19.072 32.891 1.00 0.00 C ATOM 554 CD1 ILE A 36 12.127 19.807 36.003 1.00 0.00 C ATOM 0 H ILE A 36 13.343 16.348 35.620 1.00 0.00 H new ATOM 0 HA ILE A 36 11.277 16.666 33.626 1.00 0.00 H new ATOM 0 HB ILE A 36 13.621 18.256 34.713 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.787 19.225 34.411 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.080 17.962 35.591 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.003 20.103 33.154 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.552 18.674 32.247 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.815 19.040 32.363 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.326 20.204 36.626 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.880 19.338 36.636 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.583 20.620 35.438 1.00 0.00 H new ATOM 566 N SER A 37 12.316 16.379 31.430 1.00 0.00 N ATOM 567 CA SER A 37 12.925 16.032 30.128 1.00 0.00 C ATOM 568 C SER A 37 13.331 17.289 29.364 1.00 0.00 C ATOM 569 O SER A 37 12.921 18.382 29.700 1.00 0.00 O ATOM 570 CB SER A 37 11.889 15.258 29.298 1.00 0.00 C ATOM 571 OG SER A 37 12.190 13.893 29.553 1.00 0.00 O ATOM 0 H SER A 37 11.314 16.570 31.407 1.00 0.00 H new ATOM 0 HA SER A 37 13.816 15.429 30.302 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.871 15.505 29.600 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.972 15.493 28.237 1.00 0.00 H new ATOM 0 HG SER A 37 11.567 13.322 29.057 1.00 0.00 H new ATOM 577 N GLY A 38 14.135 17.109 28.351 1.00 0.00 N ATOM 578 CA GLY A 38 14.583 18.285 27.551 1.00 0.00 C ATOM 579 C GLY A 38 13.508 18.691 26.537 1.00 0.00 C ATOM 580 O GLY A 38 13.624 19.706 25.875 1.00 0.00 O ATOM 0 H GLY A 38 14.498 16.207 28.045 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.798 19.122 28.215 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.510 18.045 27.030 1.00 0.00 H new ATOM 584 N LYS A 39 12.485 17.892 26.431 1.00 0.00 N ATOM 585 CA LYS A 39 11.412 18.224 25.471 1.00 0.00 C ATOM 586 C LYS A 39 10.553 19.358 25.989 1.00 0.00 C ATOM 587 O LYS A 39 10.493 20.422 25.395 1.00 0.00 O ATOM 588 CB LYS A 39 10.526 16.982 25.288 1.00 0.00 C ATOM 589 CG LYS A 39 10.892 16.278 23.981 1.00 0.00 C ATOM 590 CD LYS A 39 10.162 14.933 23.923 1.00 0.00 C ATOM 591 CE LYS A 39 11.071 13.893 23.265 1.00 0.00 C ATOM 592 NZ LYS A 39 12.137 13.456 24.212 1.00 0.00 N ATOM 0 H LYS A 39 12.350 17.033 26.964 1.00 0.00 H new ATOM 0 HA LYS A 39 11.864 18.531 24.528 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.659 16.301 26.129 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.475 17.271 25.275 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.612 16.896 23.128 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.970 16.125 23.924 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.889 14.611 24.928 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.236 15.033 23.358 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.481 13.032 22.951 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.524 14.314 22.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.558 12.567 23.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.873 14.189 24.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.724 13.307 25.155 1.00 0.00 H new ATOM 606 N LEU A 40 9.907 19.124 27.084 1.00 0.00 N ATOM 607 CA LEU A 40 9.055 20.181 27.643 1.00 0.00 C ATOM 608 C LEU A 40 9.868 21.438 27.843 1.00 0.00 C ATOM 609 O LEU A 40 9.334 22.525 27.928 1.00 0.00 O ATOM 610 CB LEU A 40 8.479 19.687 28.988 1.00 0.00 C ATOM 611 CG LEU A 40 9.443 20.015 30.137 1.00 0.00 C ATOM 612 CD1 LEU A 40 8.977 21.293 30.846 1.00 0.00 C ATOM 613 CD2 LEU A 40 9.434 18.859 31.137 1.00 0.00 C ATOM 0 H LEU A 40 9.934 18.251 27.611 1.00 0.00 H new ATOM 0 HA LEU A 40 8.237 20.409 26.960 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.512 20.156 29.171 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.308 18.611 28.944 1.00 0.00 H new ATOM 0 HG LEU A 40 10.448 20.162 29.742 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.661 21.526 31.662 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.964 22.119 30.135 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.974 21.143 31.245 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.116 19.082 31.957 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.426 18.725 31.529 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.754 17.944 30.638 1.00 0.00 H new ATOM 625 N ARG A 41 11.160 21.272 27.908 1.00 0.00 N ATOM 626 CA ARG A 41 12.010 22.428 28.098 1.00 0.00 C ATOM 627 C ARG A 41 12.020 23.242 26.824 1.00 0.00 C ATOM 628 O ARG A 41 11.960 24.456 26.854 1.00 0.00 O ATOM 629 CB ARG A 41 13.421 21.932 28.405 1.00 0.00 C ATOM 630 CG ARG A 41 14.390 23.092 28.299 1.00 0.00 C ATOM 631 CD ARG A 41 15.246 22.922 27.044 1.00 0.00 C ATOM 632 NE ARG A 41 16.295 21.904 27.315 1.00 0.00 N ATOM 633 CZ ARG A 41 17.398 21.923 26.623 1.00 0.00 C ATOM 634 NH1 ARG A 41 18.339 22.757 26.966 1.00 0.00 N ATOM 635 NH2 ARG A 41 17.522 21.108 25.612 1.00 0.00 N ATOM 0 H ARG A 41 11.643 20.377 27.835 1.00 0.00 H new ATOM 0 HA ARG A 41 11.646 23.048 28.917 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.458 21.501 29.406 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.702 21.143 27.708 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.844 24.034 28.256 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.025 23.132 29.184 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.626 22.611 26.203 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.704 23.872 26.768 1.00 0.00 H new ATOM 0 HE ARG A 41 16.152 21.197 28.036 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.204 23.379 27.763 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.211 22.788 26.437 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.762 20.470 25.375 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.379 21.109 25.058 1.00 0.00 H new ATOM 649 N MET A 42 12.095 22.555 25.716 1.00 0.00 N ATOM 650 CA MET A 42 12.105 23.267 24.431 1.00 0.00 C ATOM 651 C MET A 42 10.810 24.042 24.276 1.00 0.00 C ATOM 652 O MET A 42 10.759 25.045 23.593 1.00 0.00 O ATOM 653 CB MET A 42 12.216 22.235 23.298 1.00 0.00 C ATOM 654 CG MET A 42 13.692 21.904 23.066 1.00 0.00 C ATOM 655 SD MET A 42 14.765 23.249 22.503 1.00 0.00 S ATOM 656 CE MET A 42 16.219 22.238 22.133 1.00 0.00 C ATOM 0 H MET A 42 12.149 21.538 25.657 1.00 0.00 H new ATOM 0 HA MET A 42 12.948 23.957 24.393 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.664 21.331 23.557 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.771 22.630 22.385 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.101 21.514 23.998 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.746 21.100 22.333 1.00 0.00 H new ATOM 0 HE1 MET A 42 17.021 22.876 21.763 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.549 21.729 23.039 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.964 21.498 21.374 1.00 0.00 H new ATOM 666 N ASN A 43 9.770 23.555 24.919 1.00 0.00 N ATOM 667 CA ASN A 43 8.469 24.254 24.822 1.00 0.00 C ATOM 668 C ASN A 43 8.529 25.589 25.557 1.00 0.00 C ATOM 669 O ASN A 43 7.569 26.329 25.579 1.00 0.00 O ATOM 670 CB ASN A 43 7.395 23.368 25.467 1.00 0.00 C ATOM 671 CG ASN A 43 7.409 21.999 24.789 1.00 0.00 C ATOM 672 OD1 ASN A 43 6.736 21.077 25.208 1.00 0.00 O ATOM 673 ND2 ASN A 43 8.162 21.824 23.736 1.00 0.00 N ATOM 0 H ASN A 43 9.776 22.714 25.496 1.00 0.00 H new ATOM 0 HA ASN A 43 8.233 24.443 23.775 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.586 23.262 26.535 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.413 23.830 25.363 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.183 20.917 23.269 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.728 22.594 23.380 1.00 0.00 H new ATOM 680 N PHE A 44 9.669 25.858 26.153 1.00 0.00 N ATOM 681 CA PHE A 44 9.856 27.136 26.906 1.00 0.00 C ATOM 682 C PHE A 44 8.814 27.305 28.029 1.00 0.00 C ATOM 683 O PHE A 44 8.119 28.300 28.098 1.00 0.00 O ATOM 684 CB PHE A 44 9.752 28.311 25.894 1.00 0.00 C ATOM 685 CG PHE A 44 9.748 29.657 26.628 1.00 0.00 C ATOM 686 CD1 PHE A 44 8.868 30.654 26.243 1.00 0.00 C ATOM 687 CD2 PHE A 44 10.624 29.904 27.675 1.00 0.00 C ATOM 688 CE1 PHE A 44 8.862 31.872 26.889 1.00 0.00 C ATOM 689 CE2 PHE A 44 10.615 31.126 28.318 1.00 0.00 C ATOM 690 CZ PHE A 44 9.735 32.107 27.924 1.00 0.00 C ATOM 0 H PHE A 44 10.481 25.241 26.148 1.00 0.00 H new ATOM 0 HA PHE A 44 10.834 27.124 27.386 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.589 28.273 25.197 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.841 28.210 25.304 1.00 0.00 H new ATOM 0 HD1 PHE A 44 8.180 30.476 25.430 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.316 29.137 27.989 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.170 32.642 26.581 1.00 0.00 H new ATOM 0 HE2 PHE A 44 11.300 31.312 29.132 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.730 33.062 28.428 1.00 0.00 H new ATOM 700 N ILE A 45 8.737 26.318 28.892 1.00 0.00 N ATOM 701 CA ILE A 45 7.767 26.382 30.016 1.00 0.00 C ATOM 702 C ILE A 45 8.272 25.555 31.194 1.00 0.00 C ATOM 703 O ILE A 45 9.260 24.856 31.079 1.00 0.00 O ATOM 704 CB ILE A 45 6.426 25.800 29.560 1.00 0.00 C ATOM 705 CG1 ILE A 45 5.826 26.662 28.458 1.00 0.00 C ATOM 706 CG2 ILE A 45 5.457 25.797 30.765 1.00 0.00 C ATOM 707 CD1 ILE A 45 4.486 26.064 28.030 1.00 0.00 C ATOM 0 H ILE A 45 9.308 25.473 28.860 1.00 0.00 H new ATOM 0 HA ILE A 45 7.651 27.422 30.320 1.00 0.00 H new ATOM 0 HB ILE A 45 6.581 24.789 29.182 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.686 27.683 28.813 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.505 26.711 27.607 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.496 25.385 30.458 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.874 25.186 31.566 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.317 26.817 31.122 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.050 26.676 27.241 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.641 25.051 27.659 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.810 26.038 28.884 1.00 0.00 H new ATOM 719 N ARG A 46 7.589 25.650 32.309 1.00 0.00 N ATOM 720 CA ARG A 46 8.012 24.879 33.500 1.00 0.00 C ATOM 721 C ARG A 46 6.805 24.311 34.237 1.00 0.00 C ATOM 722 O ARG A 46 5.688 24.741 34.023 1.00 0.00 O ATOM 723 CB ARG A 46 8.768 25.820 34.443 1.00 0.00 C ATOM 724 CG ARG A 46 7.774 26.770 35.109 1.00 0.00 C ATOM 725 CD ARG A 46 8.550 27.825 35.897 1.00 0.00 C ATOM 726 NE ARG A 46 9.651 28.346 35.042 1.00 0.00 N ATOM 727 CZ ARG A 46 9.369 29.160 34.061 1.00 0.00 C ATOM 728 NH1 ARG A 46 9.787 28.870 32.859 1.00 0.00 N ATOM 729 NH2 ARG A 46 8.676 30.235 34.317 1.00 0.00 N ATOM 0 H ARG A 46 6.759 26.229 32.437 1.00 0.00 H new ATOM 0 HA ARG A 46 8.646 24.052 33.180 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.302 25.244 35.199 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.515 26.387 33.888 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.147 27.247 34.356 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.110 26.216 35.773 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.887 28.637 36.195 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.955 27.391 36.812 1.00 0.00 H new ATOM 0 HE ARG A 46 10.617 28.070 35.221 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.325 28.019 32.698 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.576 29.495 32.081 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.365 30.427 35.269 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.445 30.884 33.565 1.00 0.00 H new ATOM 743 N ILE A 47 7.060 23.351 35.093 1.00 0.00 N ATOM 744 CA ILE A 47 5.950 22.725 35.864 1.00 0.00 C ATOM 745 C ILE A 47 6.014 23.120 37.335 1.00 0.00 C ATOM 746 O ILE A 47 7.082 23.342 37.871 1.00 0.00 O ATOM 747 CB ILE A 47 6.096 21.211 35.748 1.00 0.00 C ATOM 748 CG1 ILE A 47 5.595 20.755 34.383 1.00 0.00 C ATOM 749 CG2 ILE A 47 5.240 20.546 36.841 1.00 0.00 C ATOM 750 CD1 ILE A 47 6.724 20.901 33.356 1.00 0.00 C ATOM 0 H ILE A 47 7.989 22.977 35.288 1.00 0.00 H new ATOM 0 HA ILE A 47 4.995 23.064 35.462 1.00 0.00 H new ATOM 0 HB ILE A 47 7.143 20.932 35.865 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.264 19.718 34.432 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.734 21.351 34.081 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.336 19.463 36.769 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.582 20.876 37.822 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.196 20.828 36.707 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.370 20.576 32.378 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.034 21.945 33.301 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.572 20.286 33.658 1.00 0.00 H new ATOM 762 N LEU A 48 4.858 23.195 37.958 1.00 0.00 N ATOM 763 CA LEU A 48 4.807 23.574 39.399 1.00 0.00 C ATOM 764 C LEU A 48 4.001 22.553 40.206 1.00 0.00 C ATOM 765 O LEU A 48 2.956 22.110 39.780 1.00 0.00 O ATOM 766 CB LEU A 48 4.122 24.947 39.502 1.00 0.00 C ATOM 767 CG LEU A 48 4.896 25.953 38.641 1.00 0.00 C ATOM 768 CD1 LEU A 48 4.020 27.182 38.383 1.00 0.00 C ATOM 769 CD2 LEU A 48 6.160 26.384 39.386 1.00 0.00 C ATOM 0 H LEU A 48 3.952 23.009 37.527 1.00 0.00 H new ATOM 0 HA LEU A 48 5.820 23.605 39.801 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.088 24.879 39.164 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.097 25.279 40.540 1.00 0.00 H new ATOM 0 HG LEU A 48 5.166 25.491 37.692 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.569 27.898 37.771 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.113 26.879 37.861 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.754 27.645 39.333 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.714 27.099 38.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.884 26.849 40.332 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.784 25.511 39.579 1.00 0.00 H new ATOM 781 N GLU A 49 4.510 22.202 41.358 1.00 0.00 N ATOM 782 CA GLU A 49 3.805 21.220 42.213 1.00 0.00 C ATOM 783 C GLU A 49 2.300 21.443 42.209 1.00 0.00 C ATOM 784 O GLU A 49 1.830 22.545 42.006 1.00 0.00 O ATOM 785 CB GLU A 49 4.311 21.374 43.655 1.00 0.00 C ATOM 786 CG GLU A 49 5.828 21.206 43.679 1.00 0.00 C ATOM 787 CD GLU A 49 6.400 21.980 44.866 1.00 0.00 C ATOM 788 OE1 GLU A 49 5.959 21.689 45.966 1.00 0.00 O ATOM 789 OE2 GLU A 49 7.244 22.822 44.607 1.00 0.00 O ATOM 0 H GLU A 49 5.387 22.558 41.739 1.00 0.00 H new ATOM 0 HA GLU A 49 4.006 20.223 41.820 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.036 22.354 44.046 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.841 20.630 44.299 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.088 20.150 43.758 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.261 21.572 42.748 1.00 0.00 H new ATOM 796 N GLY A 50 1.567 20.381 42.433 1.00 0.00 N ATOM 797 CA GLY A 50 0.084 20.506 42.449 1.00 0.00 C ATOM 798 C GLY A 50 -0.467 20.463 41.029 1.00 0.00 C ATOM 799 O GLY A 50 -1.662 20.378 40.827 1.00 0.00 O ATOM 0 H GLY A 50 1.930 19.443 42.604 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.349 19.698 43.039 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.204 21.441 42.930 1.00 0.00 H new ATOM 803 N ASP A 51 0.414 20.521 40.072 1.00 0.00 N ATOM 804 CA ASP A 51 -0.040 20.484 38.669 1.00 0.00 C ATOM 805 C ASP A 51 -0.034 19.061 38.144 1.00 0.00 C ATOM 806 O ASP A 51 0.903 18.320 38.370 1.00 0.00 O ATOM 807 CB ASP A 51 0.927 21.316 37.823 1.00 0.00 C ATOM 808 CG ASP A 51 0.808 22.790 38.214 1.00 0.00 C ATOM 809 OD1 ASP A 51 1.546 23.568 37.630 1.00 0.00 O ATOM 810 OD2 ASP A 51 -0.014 23.057 39.077 1.00 0.00 O ATOM 0 H ASP A 51 1.423 20.592 40.206 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.054 20.881 38.613 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.950 20.970 37.974 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.701 21.190 36.764 1.00 0.00 H new ATOM 815 N LYS A 52 -1.077 18.694 37.456 1.00 0.00 N ATOM 816 CA LYS A 52 -1.125 17.336 36.924 1.00 0.00 C ATOM 817 C LYS A 52 -0.233 17.206 35.743 1.00 0.00 C ATOM 818 O LYS A 52 -0.042 18.141 34.993 1.00 0.00 O ATOM 819 CB LYS A 52 -2.554 16.999 36.514 1.00 0.00 C ATOM 820 CG LYS A 52 -3.285 18.287 36.175 1.00 0.00 C ATOM 821 CD LYS A 52 -3.889 18.876 37.456 1.00 0.00 C ATOM 822 CE LYS A 52 -5.204 18.158 37.773 1.00 0.00 C ATOM 823 NZ LYS A 52 -5.476 18.191 39.239 1.00 0.00 N ATOM 0 H LYS A 52 -1.885 19.281 37.248 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.788 16.647 37.699 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.551 16.329 35.654 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.065 16.477 37.323 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.597 19.001 35.721 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.070 18.092 35.445 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.191 18.764 38.286 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.066 19.944 37.330 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.024 18.633 37.234 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.153 17.125 37.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.371 17.700 39.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.702 17.717 39.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.545 19.179 39.557 1.00 0.00 H new ATOM 837 N VAL A 53 0.285 16.042 35.582 1.00 0.00 N ATOM 838 CA VAL A 53 1.185 15.813 34.447 1.00 0.00 C ATOM 839 C VAL A 53 1.162 14.372 33.997 1.00 0.00 C ATOM 840 O VAL A 53 0.669 13.508 34.695 1.00 0.00 O ATOM 841 CB VAL A 53 2.604 16.111 34.938 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.657 17.487 35.584 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.997 15.066 35.980 1.00 0.00 C ATOM 0 H VAL A 53 0.125 15.237 36.188 1.00 0.00 H new ATOM 0 HA VAL A 53 0.874 16.444 33.614 1.00 0.00 H new ATOM 0 HB VAL A 53 3.288 16.083 34.090 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.671 17.688 35.929 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.366 18.243 34.855 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.972 17.518 36.432 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.007 15.269 36.336 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.301 15.108 36.818 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.964 14.074 35.530 1.00 0.00 H new ATOM 853 N ASN A 54 1.702 14.137 32.828 1.00 0.00 N ATOM 854 CA ASN A 54 1.733 12.761 32.309 1.00 0.00 C ATOM 855 C ASN A 54 3.105 12.199 32.607 1.00 0.00 C ATOM 856 O ASN A 54 4.103 12.777 32.226 1.00 0.00 O ATOM 857 CB ASN A 54 1.474 12.785 30.795 1.00 0.00 C ATOM 858 CG ASN A 54 0.083 12.209 30.520 1.00 0.00 C ATOM 859 OD1 ASN A 54 -0.058 11.109 30.024 1.00 0.00 O ATOM 860 ND2 ASN A 54 -0.970 12.918 30.828 1.00 0.00 N ATOM 0 H ASN A 54 2.118 14.844 32.222 1.00 0.00 H new ATOM 0 HA ASN A 54 0.966 12.142 32.775 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.541 13.805 30.417 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.233 12.202 30.274 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.904 12.547 30.652 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.858 13.842 31.245 1.00 0.00 H new ATOM 867 N VAL A 55 3.139 11.078 33.272 1.00 0.00 N ATOM 868 CA VAL A 55 4.446 10.472 33.608 1.00 0.00 C ATOM 869 C VAL A 55 4.799 9.301 32.714 1.00 0.00 C ATOM 870 O VAL A 55 4.028 8.378 32.546 1.00 0.00 O ATOM 871 CB VAL A 55 4.355 9.964 35.054 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.646 9.230 35.425 1.00 0.00 C ATOM 873 CG2 VAL A 55 4.165 11.156 35.990 1.00 0.00 C ATOM 0 H VAL A 55 2.320 10.562 33.594 1.00 0.00 H new ATOM 0 HA VAL A 55 5.219 11.228 33.472 1.00 0.00 H new ATOM 0 HB VAL A 55 3.512 9.280 35.148 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.578 8.871 36.452 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.789 8.384 34.753 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.491 9.912 35.334 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.099 10.804 37.019 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.013 11.834 35.892 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.247 11.682 35.727 1.00 0.00 H new ATOM 883 N GLU A 56 5.978 9.373 32.160 1.00 0.00 N ATOM 884 CA GLU A 56 6.444 8.294 31.268 1.00 0.00 C ATOM 885 C GLU A 56 7.386 7.378 32.033 1.00 0.00 C ATOM 886 O GLU A 56 8.483 7.771 32.387 1.00 0.00 O ATOM 887 CB GLU A 56 7.217 8.935 30.097 1.00 0.00 C ATOM 888 CG GLU A 56 7.028 8.092 28.832 1.00 0.00 C ATOM 889 CD GLU A 56 7.352 8.951 27.605 1.00 0.00 C ATOM 890 OE1 GLU A 56 6.592 9.877 27.378 1.00 0.00 O ATOM 891 OE2 GLU A 56 8.343 8.634 26.969 1.00 0.00 O ATOM 0 H GLU A 56 6.637 10.141 32.293 1.00 0.00 H new ATOM 0 HA GLU A 56 5.594 7.719 30.900 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.860 9.951 29.926 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.276 9.006 30.343 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.679 7.218 28.862 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.003 7.725 28.774 1.00 0.00 H new ATOM 898 N LEU A 57 6.938 6.181 32.297 1.00 0.00 N ATOM 899 CA LEU A 57 7.802 5.228 33.041 1.00 0.00 C ATOM 900 C LEU A 57 8.661 4.418 32.077 1.00 0.00 C ATOM 901 O LEU A 57 8.250 4.143 30.963 1.00 0.00 O ATOM 902 CB LEU A 57 6.898 4.272 33.834 1.00 0.00 C ATOM 903 CG LEU A 57 5.986 5.091 34.755 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.774 4.241 35.145 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.758 5.475 36.019 1.00 0.00 C ATOM 0 H LEU A 57 6.019 5.826 32.032 1.00 0.00 H new ATOM 0 HA LEU A 57 8.459 5.784 33.710 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.299 3.668 33.152 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.504 3.582 34.422 1.00 0.00 H new ATOM 0 HG LEU A 57 5.655 5.992 34.239 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.121 4.817 35.800 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.226 3.955 34.247 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.111 3.345 35.666 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.113 6.058 36.677 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.082 4.572 36.536 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.630 6.070 35.746 1.00 0.00 H new ATOM 917 N SER A 58 9.841 4.041 32.525 1.00 0.00 N ATOM 918 CA SER A 58 10.743 3.244 31.636 1.00 0.00 C ATOM 919 C SER A 58 10.689 1.731 31.958 1.00 0.00 C ATOM 920 O SER A 58 10.602 1.346 33.108 1.00 0.00 O ATOM 921 CB SER A 58 12.181 3.736 31.861 1.00 0.00 C ATOM 922 OG SER A 58 12.436 3.448 33.229 1.00 0.00 O ATOM 0 H SER A 58 10.210 4.248 33.453 1.00 0.00 H new ATOM 0 HA SER A 58 10.419 3.380 30.604 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.885 3.221 31.207 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.275 4.802 31.654 1.00 0.00 H new ATOM 0 HG SER A 58 13.345 3.732 33.459 1.00 0.00 H new ATOM 928 N PRO A 59 10.746 0.896 30.913 1.00 0.00 N ATOM 929 CA PRO A 59 10.708 -0.560 31.086 1.00 0.00 C ATOM 930 C PRO A 59 11.928 -1.066 31.852 1.00 0.00 C ATOM 931 O PRO A 59 12.037 -2.240 32.147 1.00 0.00 O ATOM 932 CB PRO A 59 10.744 -1.133 29.652 1.00 0.00 C ATOM 933 CG PRO A 59 10.929 0.066 28.677 1.00 0.00 C ATOM 934 CD PRO A 59 10.825 1.350 29.514 1.00 0.00 C ATOM 0 HA PRO A 59 9.827 -0.862 31.652 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.562 -1.846 29.544 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.822 -1.670 29.430 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.896 0.010 28.177 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.166 0.051 27.899 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.691 1.993 29.357 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.944 1.929 29.238 1.00 0.00 H new ATOM 942 N TYR A 60 12.826 -0.170 32.159 1.00 0.00 N ATOM 943 CA TYR A 60 14.020 -0.571 32.890 1.00 0.00 C ATOM 944 C TYR A 60 13.738 -0.505 34.363 1.00 0.00 C ATOM 945 O TYR A 60 14.378 -1.160 35.161 1.00 0.00 O ATOM 946 CB TYR A 60 15.158 0.408 32.553 1.00 0.00 C ATOM 947 CG TYR A 60 15.771 0.033 31.204 1.00 0.00 C ATOM 948 CD1 TYR A 60 15.403 0.706 30.056 1.00 0.00 C ATOM 949 CD2 TYR A 60 16.703 -0.980 31.115 1.00 0.00 C ATOM 950 CE1 TYR A 60 15.958 0.370 28.838 1.00 0.00 C ATOM 951 CE2 TYR A 60 17.260 -1.316 29.897 1.00 0.00 C ATOM 952 CZ TYR A 60 16.891 -0.643 28.749 1.00 0.00 C ATOM 953 OH TYR A 60 17.448 -0.978 27.532 1.00 0.00 O ATOM 0 H TYR A 60 12.768 0.821 31.926 1.00 0.00 H new ATOM 0 HA TYR A 60 14.305 -1.586 32.614 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.776 1.428 32.520 1.00 0.00 H new ATOM 0 HB3 TYR A 60 15.920 0.378 33.332 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.675 1.502 30.112 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.999 -1.515 32.005 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.660 0.904 27.948 1.00 0.00 H new ATOM 0 HE2 TYR A 60 17.989 -2.111 29.842 1.00 0.00 H new ATOM 0 HH TYR A 60 18.086 -1.712 27.655 1.00 0.00 H new ATOM 963 N ASP A 61 12.773 0.294 34.694 1.00 0.00 N ATOM 964 CA ASP A 61 12.404 0.442 36.099 1.00 0.00 C ATOM 965 C ASP A 61 11.066 1.153 36.221 1.00 0.00 C ATOM 966 O ASP A 61 11.001 2.365 36.189 1.00 0.00 O ATOM 967 CB ASP A 61 13.483 1.278 36.803 1.00 0.00 C ATOM 968 CG ASP A 61 14.316 0.371 37.711 1.00 0.00 C ATOM 969 OD1 ASP A 61 13.694 -0.385 38.439 1.00 0.00 O ATOM 970 OD2 ASP A 61 15.527 0.487 37.626 1.00 0.00 O ATOM 0 H ASP A 61 12.225 0.851 34.038 1.00 0.00 H new ATOM 0 HA ASP A 61 12.323 -0.544 36.557 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.124 1.760 36.065 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.019 2.071 37.389 1.00 0.00 H new ATOM 975 N LEU A 62 10.018 0.387 36.355 1.00 0.00 N ATOM 976 CA LEU A 62 8.682 1.010 36.478 1.00 0.00 C ATOM 977 C LEU A 62 8.564 1.760 37.786 1.00 0.00 C ATOM 978 O LEU A 62 7.478 2.059 38.244 1.00 0.00 O ATOM 979 CB LEU A 62 7.620 -0.094 36.429 1.00 0.00 C ATOM 980 CG LEU A 62 7.710 -0.810 35.081 1.00 0.00 C ATOM 981 CD1 LEU A 62 7.237 -2.251 35.246 1.00 0.00 C ATOM 982 CD2 LEU A 62 6.809 -0.096 34.069 1.00 0.00 C ATOM 0 H LEU A 62 10.034 -0.632 36.384 1.00 0.00 H new ATOM 0 HA LEU A 62 8.538 1.715 35.659 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.775 -0.802 37.243 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.626 0.333 36.563 1.00 0.00 H new ATOM 0 HG LEU A 62 8.741 -0.799 34.727 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.299 -2.766 34.288 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.869 -2.760 35.973 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.204 -2.257 35.595 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.870 -0.603 33.106 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.778 -0.113 34.424 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.136 0.938 33.956 1.00 0.00 H new ATOM 994 N THR A 63 9.692 2.047 38.358 1.00 0.00 N ATOM 995 CA THR A 63 9.710 2.781 39.643 1.00 0.00 C ATOM 996 C THR A 63 10.095 4.233 39.413 1.00 0.00 C ATOM 997 O THR A 63 10.011 5.050 40.308 1.00 0.00 O ATOM 998 CB THR A 63 10.757 2.129 40.551 1.00 0.00 C ATOM 999 OG1 THR A 63 11.729 1.596 39.677 1.00 0.00 O ATOM 1000 CG2 THR A 63 10.169 0.905 41.268 1.00 0.00 C ATOM 0 H THR A 63 10.610 1.802 37.987 1.00 0.00 H new ATOM 0 HA THR A 63 8.721 2.745 40.099 1.00 0.00 H new ATOM 0 HB THR A 63 11.124 2.857 41.275 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.435 1.162 40.199 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.930 0.458 41.907 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.319 1.213 41.877 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.840 0.174 40.529 1.00 0.00 H new ATOM 1008 N ARG A 64 10.527 4.524 38.206 1.00 0.00 N ATOM 1009 CA ARG A 64 10.928 5.918 37.876 1.00 0.00 C ATOM 1010 C ARG A 64 10.412 6.318 36.495 1.00 0.00 C ATOM 1011 O ARG A 64 10.353 5.504 35.580 1.00 0.00 O ATOM 1012 CB ARG A 64 12.463 5.995 37.860 1.00 0.00 C ATOM 1013 CG ARG A 64 13.010 5.553 39.217 1.00 0.00 C ATOM 1014 CD ARG A 64 14.500 5.236 39.074 1.00 0.00 C ATOM 1015 NE ARG A 64 15.234 6.490 38.740 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.232 6.870 39.494 1.00 0.00 C ATOM 1017 NH1 ARG A 64 16.347 8.134 39.800 1.00 0.00 N ATOM 1018 NH2 ARG A 64 17.081 5.974 39.914 1.00 0.00 N ATOM 0 H ARG A 64 10.617 3.854 37.442 1.00 0.00 H new ATOM 0 HA ARG A 64 10.506 6.591 38.622 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.861 5.358 37.070 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.784 7.013 37.641 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.862 6.339 39.957 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.471 4.675 39.573 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.885 4.810 40.001 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.653 4.491 38.293 1.00 0.00 H new ATOM 0 HE ARG A 64 14.960 7.047 37.930 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.664 8.807 39.452 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.119 8.448 40.387 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.960 4.995 39.653 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.866 6.252 40.503 1.00 0.00 H new ATOM 1032 N GLY A 65 10.047 7.567 36.366 1.00 0.00 N ATOM 1033 CA GLY A 65 9.530 8.055 35.053 1.00 0.00 C ATOM 1034 C GLY A 65 10.023 9.484 34.784 1.00 0.00 C ATOM 1035 O GLY A 65 11.078 9.880 35.242 1.00 0.00 O ATOM 0 H GLY A 65 10.084 8.266 37.108 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.863 7.392 34.254 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.440 8.033 35.053 1.00 0.00 H new ATOM 1039 N ARG A 66 9.261 10.224 34.027 1.00 0.00 N ATOM 1040 CA ARG A 66 9.680 11.623 33.731 1.00 0.00 C ATOM 1041 C ARG A 66 8.509 12.461 33.217 1.00 0.00 C ATOM 1042 O ARG A 66 7.585 11.942 32.622 1.00 0.00 O ATOM 1043 CB ARG A 66 10.775 11.587 32.651 1.00 0.00 C ATOM 1044 CG ARG A 66 10.576 10.354 31.769 1.00 0.00 C ATOM 1045 CD ARG A 66 11.699 10.291 30.732 1.00 0.00 C ATOM 1046 NE ARG A 66 11.437 9.153 29.805 1.00 0.00 N ATOM 1047 CZ ARG A 66 11.523 9.342 28.517 1.00 0.00 C ATOM 1048 NH1 ARG A 66 10.485 9.080 27.769 1.00 0.00 N ATOM 1049 NH2 ARG A 66 12.644 9.783 28.018 1.00 0.00 N ATOM 0 H ARG A 66 8.380 9.927 33.606 1.00 0.00 H new ATOM 0 HA ARG A 66 10.048 12.077 34.651 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.734 12.492 32.045 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.760 11.560 33.117 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.578 9.451 32.380 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.607 10.401 31.271 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.751 11.227 30.175 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.662 10.161 31.226 1.00 0.00 H new ATOM 0 HE ARG A 66 11.193 8.234 30.175 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.625 8.733 28.194 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.535 9.222 26.760 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.435 9.974 28.632 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.730 9.937 27.013 1.00 0.00 H new ATOM 1063 N ILE A 67 8.574 13.749 33.458 1.00 0.00 N ATOM 1064 CA ILE A 67 7.473 14.640 32.991 1.00 0.00 C ATOM 1065 C ILE A 67 7.781 15.212 31.625 1.00 0.00 C ATOM 1066 O ILE A 67 8.781 15.879 31.441 1.00 0.00 O ATOM 1067 CB ILE A 67 7.344 15.809 33.954 1.00 0.00 C ATOM 1068 CG1 ILE A 67 7.259 15.301 35.382 1.00 0.00 C ATOM 1069 CG2 ILE A 67 6.051 16.579 33.623 1.00 0.00 C ATOM 1070 CD1 ILE A 67 6.114 14.319 35.499 1.00 0.00 C ATOM 0 H ILE A 67 9.335 14.215 33.953 1.00 0.00 H new ATOM 0 HA ILE A 67 6.556 14.052 32.944 1.00 0.00 H new ATOM 0 HB ILE A 67 8.214 16.458 33.855 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.195 14.820 35.665 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.109 16.135 36.068 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.944 17.422 34.306 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.099 16.947 32.598 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.194 15.914 33.730 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.052 13.953 36.524 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.181 14.815 35.233 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.284 13.480 34.824 1.00 0.00 H new ATOM 1082 N THR A 68 6.916 14.941 30.694 1.00 0.00 N ATOM 1083 CA THR A 68 7.117 15.453 29.318 1.00 0.00 C ATOM 1084 C THR A 68 5.876 16.193 28.862 1.00 0.00 C ATOM 1085 O THR A 68 5.769 16.590 27.719 1.00 0.00 O ATOM 1086 CB THR A 68 7.356 14.262 28.386 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.070 13.844 27.978 1.00 0.00 O ATOM 1088 CG2 THR A 68 7.924 13.064 29.164 1.00 0.00 C ATOM 0 H THR A 68 6.073 14.383 30.829 1.00 0.00 H new ATOM 0 HA THR A 68 7.970 16.131 29.298 1.00 0.00 H new ATOM 0 HB THR A 68 8.034 14.551 27.583 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.447 13.919 28.731 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.085 12.230 28.481 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.871 13.345 29.624 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.218 12.766 29.940 1.00 0.00 H new ATOM 1096 N TRP A 69 4.951 16.368 29.770 1.00 0.00 N ATOM 1097 CA TRP A 69 3.709 17.075 29.412 1.00 0.00 C ATOM 1098 C TRP A 69 2.912 17.450 30.659 1.00 0.00 C ATOM 1099 O TRP A 69 2.384 16.588 31.336 1.00 0.00 O ATOM 1100 CB TRP A 69 2.870 16.100 28.573 1.00 0.00 C ATOM 1101 CG TRP A 69 3.374 14.661 28.827 1.00 0.00 C ATOM 1102 CD1 TRP A 69 3.852 14.226 29.992 1.00 0.00 C ATOM 1103 CD2 TRP A 69 3.427 13.716 27.919 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.209 12.958 29.741 1.00 0.00 N ATOM 1105 CE2 TRP A 69 3.969 12.551 28.440 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.029 13.753 26.596 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.110 11.434 27.641 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 3.173 12.633 25.799 1.00 0.00 C ATOM 1109 CH2 TRP A 69 3.713 11.476 26.322 1.00 0.00 C ATOM 0 H TRP A 69 5.011 16.050 30.737 1.00 0.00 H new ATOM 0 HA TRP A 69 3.946 17.991 28.871 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.816 16.183 28.840 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.951 16.347 27.514 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.933 14.768 30.922 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.621 12.347 30.447 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.605 14.657 26.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.531 10.527 28.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.862 12.664 24.765 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.825 10.602 25.697 1.00 0.00 H new ATOM 1120 N ARG A 70 2.832 18.734 30.935 1.00 0.00 N ATOM 1121 CA ARG A 70 2.084 19.185 32.115 1.00 0.00 C ATOM 1122 C ARG A 70 0.715 19.742 31.716 1.00 0.00 C ATOM 1123 O ARG A 70 0.499 20.101 30.574 1.00 0.00 O ATOM 1124 CB ARG A 70 2.928 20.276 32.834 1.00 0.00 C ATOM 1125 CG ARG A 70 2.195 21.624 32.835 1.00 0.00 C ATOM 1126 CD ARG A 70 2.073 22.134 31.397 1.00 0.00 C ATOM 1127 NE ARG A 70 2.860 23.393 31.262 1.00 0.00 N ATOM 1128 CZ ARG A 70 2.320 24.530 31.610 1.00 0.00 C ATOM 1129 NH1 ARG A 70 2.502 24.970 32.826 1.00 0.00 N ATOM 1130 NH2 ARG A 70 1.617 25.190 30.730 1.00 0.00 N ATOM 0 H ARG A 70 3.260 19.476 30.382 1.00 0.00 H new ATOM 0 HA ARG A 70 1.909 18.343 32.784 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.131 19.967 33.859 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.892 20.382 32.336 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.206 21.513 33.279 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.738 22.346 33.444 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.441 21.383 30.698 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.027 22.315 31.149 1.00 0.00 H new ATOM 0 HE ARG A 70 3.813 23.367 30.900 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.059 24.428 33.487 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.088 25.856 33.115 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.497 24.816 29.789 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.188 26.080 30.984 1.00 0.00 H new ATOM 1144 N LYS A 71 -0.187 19.791 32.673 1.00 0.00 N ATOM 1145 CA LYS A 71 -1.545 20.315 32.386 1.00 0.00 C ATOM 1146 C LYS A 71 -1.997 21.257 33.497 1.00 0.00 C ATOM 1147 O LYS A 71 -1.720 21.030 34.658 1.00 0.00 O ATOM 1148 CB LYS A 71 -2.521 19.116 32.304 1.00 0.00 C ATOM 1149 CG LYS A 71 -3.962 19.621 32.114 1.00 0.00 C ATOM 1150 CD LYS A 71 -4.147 20.118 30.675 1.00 0.00 C ATOM 1151 CE LYS A 71 -4.871 21.467 30.699 1.00 0.00 C ATOM 1152 NZ LYS A 71 -5.586 21.700 29.412 1.00 0.00 N ATOM 0 H LYS A 71 -0.032 19.489 33.635 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.533 20.867 31.446 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.243 18.466 31.474 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.453 18.519 33.213 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.670 18.820 32.327 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.172 20.427 32.818 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.179 20.220 30.185 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.721 19.393 30.098 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.581 21.490 31.526 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.153 22.268 30.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.071 22.619 29.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.901 21.699 28.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.285 20.945 29.262 1.00 0.00 H new