USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 SER OG : rot 105:sc= 1.34 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 81:sc= 1.24 USER MOD Single : A 22 ASN : amide:sc= -0.964! C(o=-0.96!,f=-4.5!) USER MOD Single : A 27 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0827) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 1.01 K(o=1,f=-4.7!) USER MOD Single : A 49 TYR OH : rot 90:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.14) USER MOD Single : A 55 SER OG : rot 180:sc= 0.183 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.739 F(o=-2.6,f=-0.74) USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= 1.16 (180deg=-0.942) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= -0.0216 (180deg=-0.0216) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -24:sc= 0.873 USER MOD Single : A 79 HIS : no HE2:sc= 0.866 K(o=0.87,f=-4.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0483 X(o=-0.048,f=-0.017) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.789 K(o=-0.79,f=-2.2!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : B 396 LYS NZ :NH3+ -134:sc= 1.01 (180deg=0.266) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -7.217 11.092 -9.749 1.00 0.00 N ATOM 140 CA PHE A 14 -6.336 10.259 -8.936 1.00 0.00 C ATOM 141 C PHE A 14 -6.662 10.387 -7.451 1.00 0.00 C ATOM 142 O PHE A 14 -5.777 10.299 -6.601 1.00 0.00 O ATOM 143 CB PHE A 14 -4.857 10.595 -9.199 1.00 0.00 C ATOM 144 CG PHE A 14 -4.495 12.060 -9.111 1.00 0.00 C ATOM 145 CD1 PHE A 14 -4.778 12.807 -7.974 1.00 0.00 C ATOM 146 CD2 PHE A 14 -3.849 12.682 -10.165 1.00 0.00 C ATOM 147 CE1 PHE A 14 -4.423 14.140 -7.895 1.00 0.00 C ATOM 148 CE2 PHE A 14 -3.494 14.014 -10.091 1.00 0.00 C ATOM 149 CZ PHE A 14 -3.782 14.744 -8.956 1.00 0.00 C ATOM 0 HA PHE A 14 -6.507 9.223 -9.228 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.245 10.044 -8.485 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.592 10.232 -10.192 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.282 12.340 -7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.620 12.118 -11.057 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.647 14.708 -7.004 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.990 14.485 -10.922 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.506 15.787 -8.899 1.00 0.00 H new ATOM 159 N SER A 15 -7.943 10.562 -7.154 1.00 0.00 N ATOM 160 CA SER A 15 -8.413 10.709 -5.781 1.00 0.00 C ATOM 161 C SER A 15 -7.950 9.545 -4.901 1.00 0.00 C ATOM 162 O SER A 15 -7.526 9.743 -3.759 1.00 0.00 O ATOM 163 CB SER A 15 -9.937 10.798 -5.778 1.00 0.00 C ATOM 164 OG SER A 15 -10.492 10.042 -6.848 1.00 0.00 O ATOM 0 H SER A 15 -8.683 10.606 -7.854 1.00 0.00 H new ATOM 0 HA SER A 15 -7.988 11.623 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.325 10.430 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.245 11.840 -5.866 1.00 0.00 H new ATOM 0 HG SER A 15 -10.880 9.214 -6.496 1.00 0.00 H new ATOM 170 N GLU A 16 -8.014 8.334 -5.445 1.00 0.00 N ATOM 171 CA GLU A 16 -7.604 7.143 -4.714 1.00 0.00 C ATOM 172 C GLU A 16 -6.098 7.123 -4.555 1.00 0.00 C ATOM 173 O GLU A 16 -5.576 6.790 -3.493 1.00 0.00 O ATOM 174 CB GLU A 16 -8.066 5.881 -5.440 1.00 0.00 C ATOM 175 CG GLU A 16 -9.570 5.688 -5.423 1.00 0.00 C ATOM 176 CD GLU A 16 -10.295 6.558 -6.426 1.00 0.00 C ATOM 177 OE1 GLU A 16 -10.202 6.277 -7.639 1.00 0.00 O ATOM 178 OE2 GLU A 16 -10.956 7.532 -6.008 1.00 0.00 O ATOM 0 H GLU A 16 -8.347 8.153 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.068 7.167 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.725 5.921 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.591 5.014 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.798 4.642 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.946 5.906 -4.424 1.00 0.00 H new ATOM 185 N TYR A 17 -5.408 7.490 -5.623 1.00 0.00 N ATOM 186 CA TYR A 17 -3.951 7.536 -5.613 1.00 0.00 C ATOM 187 C TYR A 17 -3.466 8.485 -4.523 1.00 0.00 C ATOM 188 O TYR A 17 -2.502 8.190 -3.815 1.00 0.00 O ATOM 189 CB TYR A 17 -3.404 7.975 -6.975 1.00 0.00 C ATOM 190 CG TYR A 17 -1.947 7.624 -7.178 1.00 0.00 C ATOM 191 CD1 TYR A 17 -1.569 6.322 -7.479 1.00 0.00 C ATOM 192 CD2 TYR A 17 -0.950 8.586 -7.061 1.00 0.00 C ATOM 193 CE1 TYR A 17 -0.240 5.987 -7.657 1.00 0.00 C ATOM 194 CE2 TYR A 17 0.382 8.257 -7.241 1.00 0.00 C ATOM 195 CZ TYR A 17 0.730 6.956 -7.537 1.00 0.00 C ATOM 196 OH TYR A 17 2.055 6.621 -7.712 1.00 0.00 O ATOM 0 H TYR A 17 -5.832 7.761 -6.510 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.580 6.532 -5.406 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.996 7.509 -7.763 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.528 9.053 -7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.326 5.558 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.219 9.605 -6.826 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.036 4.969 -7.889 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.145 9.016 -7.150 1.00 0.00 H new ATOM 0 HH TYR A 17 2.612 7.419 -7.595 1.00 0.00 H new ATOM 206 N SER A 18 -4.144 9.620 -4.391 1.00 0.00 N ATOM 207 CA SER A 18 -3.803 10.606 -3.377 1.00 0.00 C ATOM 208 C SER A 18 -3.952 10.016 -1.979 1.00 0.00 C ATOM 209 O SER A 18 -3.158 10.313 -1.088 1.00 0.00 O ATOM 210 CB SER A 18 -4.688 11.844 -3.520 1.00 0.00 C ATOM 211 OG SER A 18 -4.496 12.461 -4.780 1.00 0.00 O ATOM 0 H SER A 18 -4.937 9.879 -4.978 1.00 0.00 H new ATOM 0 HA SER A 18 -2.763 10.897 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.735 11.563 -3.404 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.459 12.553 -2.725 1.00 0.00 H new ATOM 0 HG SER A 18 -5.074 13.250 -4.849 1.00 0.00 H new ATOM 217 N ARG A 19 -4.965 9.172 -1.796 1.00 0.00 N ATOM 218 CA ARG A 19 -5.201 8.536 -0.506 1.00 0.00 C ATOM 219 C ARG A 19 -4.037 7.623 -0.146 1.00 0.00 C ATOM 220 O ARG A 19 -3.529 7.665 0.974 1.00 0.00 O ATOM 221 CB ARG A 19 -6.507 7.738 -0.520 1.00 0.00 C ATOM 222 CG ARG A 19 -7.751 8.593 -0.344 1.00 0.00 C ATOM 223 CD ARG A 19 -7.665 9.453 0.906 1.00 0.00 C ATOM 224 NE ARG A 19 -7.318 10.837 0.591 1.00 0.00 N ATOM 225 CZ ARG A 19 -6.449 11.574 1.284 1.00 0.00 C ATOM 226 NH1 ARG A 19 -5.831 11.070 2.348 1.00 0.00 N ATOM 227 NH2 ARG A 19 -6.195 12.820 0.909 1.00 0.00 N ATOM 0 H ARG A 19 -5.632 8.915 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.285 9.320 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.581 7.196 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.475 6.992 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.881 9.232 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.630 7.951 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.620 9.428 1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.919 9.036 1.583 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.771 11.269 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.020 10.111 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.168 11.642 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.664 13.212 0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.531 13.386 1.437 1.00 0.00 H new ATOM 241 N ILE A 20 -3.621 6.804 -1.107 1.00 0.00 N ATOM 242 CA ILE A 20 -2.504 5.882 -0.906 1.00 0.00 C ATOM 243 C ILE A 20 -1.214 6.659 -0.640 1.00 0.00 C ATOM 244 O ILE A 20 -0.481 6.363 0.304 1.00 0.00 O ATOM 245 CB ILE A 20 -2.313 4.949 -2.131 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.226 3.725 -2.026 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.865 4.498 -2.268 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.662 3.994 -2.412 1.00 0.00 C ATOM 0 H ILE A 20 -4.041 6.759 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.737 5.264 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.581 5.521 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.831 2.934 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.200 3.352 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.768 3.846 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.223 5.370 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.567 3.955 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.244 3.078 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.077 4.761 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.703 4.337 -3.446 1.00 0.00 H new ATOM 260 N SER A 21 -0.953 7.654 -1.479 1.00 0.00 N ATOM 261 CA SER A 21 0.239 8.486 -1.343 1.00 0.00 C ATOM 262 C SER A 21 0.271 9.164 0.025 1.00 0.00 C ATOM 263 O SER A 21 1.303 9.180 0.699 1.00 0.00 O ATOM 264 CB SER A 21 0.277 9.531 -2.458 1.00 0.00 C ATOM 265 OG SER A 21 0.114 8.919 -3.726 1.00 0.00 O ATOM 0 H SER A 21 -1.553 7.906 -2.264 1.00 0.00 H new ATOM 0 HA SER A 21 1.119 7.849 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.511 10.267 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.225 10.068 -2.427 1.00 0.00 H new ATOM 0 HG SER A 21 -0.838 8.756 -3.890 1.00 0.00 H new ATOM 271 N ASN A 22 -0.872 9.705 0.436 1.00 0.00 N ATOM 272 CA ASN A 22 -0.990 10.371 1.727 1.00 0.00 C ATOM 273 C ASN A 22 -0.728 9.378 2.852 1.00 0.00 C ATOM 274 O ASN A 22 -0.028 9.686 3.815 1.00 0.00 O ATOM 275 CB ASN A 22 -2.384 10.983 1.875 1.00 0.00 C ATOM 276 CG ASN A 22 -2.427 12.134 2.862 1.00 0.00 C ATOM 277 OD1 ASN A 22 -3.401 12.290 3.596 1.00 0.00 O ATOM 278 ND2 ASN A 22 -1.393 12.964 2.868 1.00 0.00 N ATOM 0 H ASN A 22 -1.733 9.694 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.249 11.169 1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.725 11.334 0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.081 10.210 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.387 13.767 3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.604 12.800 2.243 1.00 0.00 H new ATOM 285 N LEU A 23 -1.284 8.179 2.703 1.00 0.00 N ATOM 286 CA LEU A 23 -1.115 7.099 3.672 1.00 0.00 C ATOM 287 C LEU A 23 0.372 6.780 3.841 1.00 0.00 C ATOM 288 O LEU A 23 0.852 6.602 4.961 1.00 0.00 O ATOM 289 CB LEU A 23 -1.960 5.884 3.198 1.00 0.00 C ATOM 290 CG LEU A 23 -1.503 4.453 3.549 1.00 0.00 C ATOM 291 CD1 LEU A 23 -0.349 3.986 2.679 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.152 4.332 5.013 1.00 0.00 C ATOM 0 H LEU A 23 -1.867 7.928 1.904 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.475 7.388 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.966 6.012 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.037 5.944 2.112 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.349 3.797 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.064 2.974 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.655 3.995 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.502 4.654 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.834 3.312 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.343 5.022 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.026 4.575 5.618 1.00 0.00 H new ATOM 304 N ILE A 24 1.104 6.748 2.734 1.00 0.00 N ATOM 305 CA ILE A 24 2.531 6.456 2.771 1.00 0.00 C ATOM 306 C ILE A 24 3.278 7.511 3.580 1.00 0.00 C ATOM 307 O ILE A 24 4.082 7.183 4.460 1.00 0.00 O ATOM 308 CB ILE A 24 3.122 6.354 1.342 1.00 0.00 C ATOM 309 CG1 ILE A 24 2.960 4.930 0.814 1.00 0.00 C ATOM 310 CG2 ILE A 24 4.592 6.762 1.305 1.00 0.00 C ATOM 311 CD1 ILE A 24 3.661 3.890 1.662 1.00 0.00 C ATOM 0 H ILE A 24 0.733 6.921 1.800 1.00 0.00 H new ATOM 0 HA ILE A 24 2.658 5.489 3.259 1.00 0.00 H new ATOM 0 HB ILE A 24 2.572 7.046 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.898 4.689 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.349 4.881 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.968 6.676 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.692 7.793 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.168 6.108 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.504 2.902 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.729 4.107 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.255 3.912 2.673 1.00 0.00 H new ATOM 323 N VAL A 25 2.977 8.770 3.300 1.00 0.00 N ATOM 324 CA VAL A 25 3.618 9.882 3.982 1.00 0.00 C ATOM 325 C VAL A 25 3.220 9.929 5.458 1.00 0.00 C ATOM 326 O VAL A 25 4.079 10.008 6.337 1.00 0.00 O ATOM 327 CB VAL A 25 3.271 11.227 3.305 1.00 0.00 C ATOM 328 CG1 VAL A 25 4.006 12.375 3.980 1.00 0.00 C ATOM 329 CG2 VAL A 25 3.609 11.183 1.820 1.00 0.00 C ATOM 0 H VAL A 25 2.288 9.047 2.601 1.00 0.00 H new ATOM 0 HA VAL A 25 4.694 9.724 3.915 1.00 0.00 H new ATOM 0 HB VAL A 25 2.199 11.394 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.747 13.312 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.717 12.425 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.081 12.212 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.357 12.139 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.674 10.990 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.037 10.389 1.340 1.00 0.00 H new ATOM 339 N LEU A 26 1.922 9.854 5.720 1.00 0.00 N ATOM 340 CA LEU A 26 1.402 9.899 7.085 1.00 0.00 C ATOM 341 C LEU A 26 1.948 8.755 7.927 1.00 0.00 C ATOM 342 O LEU A 26 2.395 8.964 9.057 1.00 0.00 O ATOM 343 CB LEU A 26 -0.123 9.847 7.078 1.00 0.00 C ATOM 344 CG LEU A 26 -0.809 11.124 6.603 1.00 0.00 C ATOM 345 CD1 LEU A 26 -2.256 10.839 6.250 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.723 12.210 7.666 1.00 0.00 C ATOM 0 H LEU A 26 1.204 9.761 5.002 1.00 0.00 H new ATOM 0 HA LEU A 26 1.730 10.839 7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.441 9.023 6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.469 9.620 8.087 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.295 11.482 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.736 11.758 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.297 10.095 5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.777 10.460 7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.219 13.112 7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.212 11.866 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.323 12.431 7.877 1.00 0.00 H new ATOM 358 N HIS A 27 1.917 7.550 7.371 1.00 0.00 N ATOM 359 CA HIS A 27 2.408 6.374 8.074 1.00 0.00 C ATOM 360 C HIS A 27 3.880 6.534 8.428 1.00 0.00 C ATOM 361 O HIS A 27 4.271 6.303 9.566 1.00 0.00 O ATOM 362 CB HIS A 27 2.194 5.112 7.231 1.00 0.00 C ATOM 363 CG HIS A 27 2.873 3.887 7.769 1.00 0.00 C ATOM 364 ND1 HIS A 27 4.005 3.348 7.191 1.00 0.00 N ATOM 365 CD2 HIS A 27 2.567 3.080 8.813 1.00 0.00 C ATOM 366 CE1 HIS A 27 4.364 2.266 7.858 1.00 0.00 C ATOM 367 NE2 HIS A 27 3.510 2.082 8.843 1.00 0.00 N ATOM 0 H HIS A 27 1.557 7.363 6.435 1.00 0.00 H new ATOM 0 HA HIS A 27 1.842 6.270 8.999 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.124 4.917 7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.556 5.299 6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.737 3.199 9.494 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.214 1.639 7.633 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.543 1.320 9.520 1.00 0.00 H new ATOM 376 N LEU A 28 4.690 6.934 7.452 1.00 0.00 N ATOM 377 CA LEU A 28 6.114 7.120 7.689 1.00 0.00 C ATOM 378 C LEU A 28 6.333 8.194 8.748 1.00 0.00 C ATOM 379 O LEU A 28 7.139 8.014 9.661 1.00 0.00 O ATOM 380 CB LEU A 28 6.836 7.482 6.386 1.00 0.00 C ATOM 381 CG LEU A 28 8.341 7.171 6.356 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.147 8.312 6.955 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.637 5.867 7.088 1.00 0.00 C ATOM 0 H LEU A 28 4.387 7.133 6.499 1.00 0.00 H new ATOM 0 HA LEU A 28 6.533 6.183 8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.356 6.949 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.699 8.547 6.199 1.00 0.00 H new ATOM 0 HG LEU A 28 8.638 7.057 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.208 8.065 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.968 9.223 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.844 8.467 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.708 5.666 7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.316 5.952 8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.099 5.050 6.607 1.00 0.00 H new ATOM 395 N ARG A 29 5.590 9.294 8.633 1.00 0.00 N ATOM 396 CA ARG A 29 5.684 10.397 9.586 1.00 0.00 C ATOM 397 C ARG A 29 5.424 9.904 11.004 1.00 0.00 C ATOM 398 O ARG A 29 6.127 10.274 11.944 1.00 0.00 O ATOM 399 CB ARG A 29 4.669 11.485 9.246 1.00 0.00 C ATOM 400 CG ARG A 29 5.064 12.373 8.081 1.00 0.00 C ATOM 401 CD ARG A 29 3.902 13.254 7.659 1.00 0.00 C ATOM 402 NE ARG A 29 4.303 14.286 6.706 1.00 0.00 N ATOM 403 CZ ARG A 29 3.729 15.484 6.624 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.755 15.817 7.465 1.00 0.00 N ATOM 405 NH2 ARG A 29 4.130 16.350 5.704 1.00 0.00 N ATOM 0 H ARG A 29 4.913 9.444 7.885 1.00 0.00 H new ATOM 0 HA ARG A 29 6.692 10.807 9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.713 11.014 9.019 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.516 12.109 10.126 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.914 12.994 8.363 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.384 11.757 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.123 12.635 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.469 13.726 8.541 1.00 0.00 H new ATOM 0 HE ARG A 29 5.068 14.076 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.446 15.154 8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.317 16.736 7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.879 16.098 5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.690 17.268 5.641 1.00 0.00 H new ATOM 419 N LYS A 30 4.396 9.082 11.160 1.00 0.00 N ATOM 420 CA LYS A 30 4.049 8.543 12.466 1.00 0.00 C ATOM 421 C LYS A 30 5.098 7.543 12.937 1.00 0.00 C ATOM 422 O LYS A 30 5.486 7.546 14.098 1.00 0.00 O ATOM 423 CB LYS A 30 2.667 7.885 12.429 1.00 0.00 C ATOM 424 CG LYS A 30 1.514 8.877 12.517 1.00 0.00 C ATOM 425 CD LYS A 30 1.508 9.618 13.846 1.00 0.00 C ATOM 426 CE LYS A 30 1.116 8.705 15.000 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.325 8.341 14.958 1.00 0.00 N ATOM 0 H LYS A 30 3.789 8.775 10.400 1.00 0.00 H new ATOM 0 HA LYS A 30 4.021 9.371 13.175 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.572 7.312 11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.589 7.177 13.254 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.589 9.595 11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.569 8.349 12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.497 10.037 14.033 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.812 10.455 13.792 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.720 7.798 14.966 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.337 9.200 15.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.592 7.879 15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.896 9.200 14.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.495 7.689 14.166 1.00 0.00 H new ATOM 441 N VAL A 31 5.572 6.712 12.025 1.00 0.00 N ATOM 442 CA VAL A 31 6.564 5.699 12.351 1.00 0.00 C ATOM 443 C VAL A 31 7.887 6.320 12.811 1.00 0.00 C ATOM 444 O VAL A 31 8.454 5.906 13.823 1.00 0.00 O ATOM 445 CB VAL A 31 6.808 4.766 11.146 1.00 0.00 C ATOM 446 CG1 VAL A 31 8.048 3.925 11.354 1.00 0.00 C ATOM 447 CG2 VAL A 31 5.599 3.874 10.915 1.00 0.00 C ATOM 0 H VAL A 31 5.284 6.718 11.046 1.00 0.00 H new ATOM 0 HA VAL A 31 6.164 5.114 13.180 1.00 0.00 H new ATOM 0 HB VAL A 31 6.962 5.386 10.263 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.197 3.277 10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.914 4.576 11.472 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.928 3.315 12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.786 3.222 10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.419 3.268 11.803 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.724 4.492 10.714 1.00 0.00 H new ATOM 457 N GLU A 32 8.359 7.325 12.087 1.00 0.00 N ATOM 458 CA GLU A 32 9.617 7.986 12.428 1.00 0.00 C ATOM 459 C GLU A 32 9.482 8.811 13.709 1.00 0.00 C ATOM 460 O GLU A 32 10.453 9.002 14.440 1.00 0.00 O ATOM 461 CB GLU A 32 10.096 8.880 11.276 1.00 0.00 C ATOM 462 CG GLU A 32 9.201 10.085 11.015 1.00 0.00 C ATOM 463 CD GLU A 32 9.906 11.192 10.256 1.00 0.00 C ATOM 464 OE1 GLU A 32 11.119 11.394 10.483 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.251 11.878 9.448 1.00 0.00 O ATOM 0 H GLU A 32 7.893 7.702 11.261 1.00 0.00 H new ATOM 0 HA GLU A 32 10.359 7.206 12.599 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.105 9.230 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.158 8.282 10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.325 9.765 10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.841 10.476 11.966 1.00 0.00 H new ATOM 472 N GLU A 33 8.277 9.288 13.975 1.00 0.00 N ATOM 473 CA GLU A 33 8.020 10.113 15.147 1.00 0.00 C ATOM 474 C GLU A 33 7.730 9.275 16.396 1.00 0.00 C ATOM 475 O GLU A 33 8.187 9.605 17.492 1.00 0.00 O ATOM 476 CB GLU A 33 6.841 11.038 14.853 1.00 0.00 C ATOM 477 CG GLU A 33 6.700 12.203 15.811 1.00 0.00 C ATOM 478 CD GLU A 33 5.649 13.188 15.346 1.00 0.00 C ATOM 479 OE1 GLU A 33 4.487 12.773 15.150 1.00 0.00 O ATOM 480 OE2 GLU A 33 5.976 14.377 15.157 1.00 0.00 O ATOM 0 H GLU A 33 7.457 9.118 13.393 1.00 0.00 H new ATOM 0 HA GLU A 33 8.918 10.694 15.355 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.945 11.428 13.840 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.922 10.452 14.876 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.436 11.830 16.801 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.659 12.713 15.907 1.00 0.00 H new ATOM 487 N GLU A 34 6.985 8.191 16.228 1.00 0.00 N ATOM 488 CA GLU A 34 6.613 7.338 17.355 1.00 0.00 C ATOM 489 C GLU A 34 7.641 6.241 17.634 1.00 0.00 C ATOM 490 O GLU A 34 8.221 6.192 18.718 1.00 0.00 O ATOM 491 CB GLU A 34 5.245 6.698 17.110 1.00 0.00 C ATOM 492 CG GLU A 34 4.118 7.704 16.967 1.00 0.00 C ATOM 493 CD GLU A 34 4.001 8.621 18.162 1.00 0.00 C ATOM 494 OE1 GLU A 34 3.557 8.158 19.237 1.00 0.00 O ATOM 495 OE2 GLU A 34 4.338 9.813 18.033 1.00 0.00 O ATOM 0 H GLU A 34 6.626 7.880 15.326 1.00 0.00 H new ATOM 0 HA GLU A 34 6.575 7.984 18.232 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.295 6.090 16.206 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.016 6.024 17.935 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.281 8.302 16.070 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.177 7.172 16.829 1.00 0.00 H new ATOM 502 N GLU A 35 7.857 5.360 16.663 1.00 0.00 N ATOM 503 CA GLU A 35 8.788 4.243 16.834 1.00 0.00 C ATOM 504 C GLU A 35 10.237 4.667 16.627 1.00 0.00 C ATOM 505 O GLU A 35 11.148 4.061 17.196 1.00 0.00 O ATOM 506 CB GLU A 35 8.460 3.118 15.851 1.00 0.00 C ATOM 507 CG GLU A 35 7.010 2.676 15.881 1.00 0.00 C ATOM 508 CD GLU A 35 6.772 1.434 15.049 1.00 0.00 C ATOM 509 OE1 GLU A 35 6.921 1.503 13.813 1.00 0.00 O ATOM 510 OE2 GLU A 35 6.426 0.382 15.628 1.00 0.00 O ATOM 0 H GLU A 35 7.403 5.395 15.750 1.00 0.00 H new ATOM 0 HA GLU A 35 8.673 3.893 17.860 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.708 3.447 14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.095 2.260 16.071 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.712 2.483 16.912 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.378 3.484 15.513 1.00 0.00 H new ATOM 517 N ASP A 36 10.440 5.683 15.789 1.00 0.00 N ATOM 518 CA ASP A 36 11.779 6.190 15.469 1.00 0.00 C ATOM 519 C ASP A 36 12.542 5.174 14.621 1.00 0.00 C ATOM 520 O ASP A 36 13.764 5.249 14.481 1.00 0.00 O ATOM 521 CB ASP A 36 12.578 6.532 16.738 1.00 0.00 C ATOM 522 CG ASP A 36 12.409 7.974 17.172 1.00 0.00 C ATOM 523 OD1 ASP A 36 13.020 8.864 16.541 1.00 0.00 O ATOM 524 OD2 ASP A 36 11.682 8.229 18.154 1.00 0.00 O ATOM 0 H ASP A 36 9.686 6.178 15.313 1.00 0.00 H new ATOM 0 HA ASP A 36 11.655 7.111 14.899 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.262 5.875 17.548 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.635 6.333 16.560 1.00 0.00 H new ATOM 529 N GLU A 37 11.800 4.234 14.045 1.00 0.00 N ATOM 530 CA GLU A 37 12.370 3.187 13.208 1.00 0.00 C ATOM 531 C GLU A 37 11.539 3.036 11.944 1.00 0.00 C ATOM 532 O GLU A 37 10.541 2.319 11.932 1.00 0.00 O ATOM 533 CB GLU A 37 12.413 1.853 13.957 1.00 0.00 C ATOM 534 CG GLU A 37 13.414 1.820 15.098 1.00 0.00 C ATOM 535 CD GLU A 37 13.985 0.437 15.319 1.00 0.00 C ATOM 536 OE1 GLU A 37 14.920 0.058 14.586 1.00 0.00 O ATOM 537 OE2 GLU A 37 13.502 -0.275 16.227 1.00 0.00 O ATOM 0 H GLU A 37 10.787 4.177 14.146 1.00 0.00 H new ATOM 0 HA GLU A 37 13.390 3.470 12.947 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.420 1.637 14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.655 1.059 13.251 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.225 2.517 14.887 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.930 2.162 16.013 1.00 0.00 H new ATOM 544 N SER A 38 11.964 3.704 10.884 1.00 0.00 N ATOM 545 CA SER A 38 11.248 3.684 9.610 1.00 0.00 C ATOM 546 C SER A 38 11.409 2.361 8.846 1.00 0.00 C ATOM 547 O SER A 38 11.065 2.281 7.665 1.00 0.00 O ATOM 548 CB SER A 38 11.732 4.836 8.735 1.00 0.00 C ATOM 549 OG SER A 38 12.192 5.922 9.523 1.00 0.00 O ATOM 0 H SER A 38 12.810 4.274 10.877 1.00 0.00 H new ATOM 0 HA SER A 38 10.188 3.791 9.842 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.535 4.489 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.921 5.171 8.089 1.00 0.00 H new ATOM 0 HG SER A 38 12.498 6.645 8.937 1.00 0.00 H new ATOM 555 N ALA A 39 11.918 1.332 9.507 1.00 0.00 N ATOM 556 CA ALA A 39 12.102 0.032 8.872 1.00 0.00 C ATOM 557 C ALA A 39 11.006 -0.936 9.311 1.00 0.00 C ATOM 558 O ALA A 39 11.080 -1.526 10.390 1.00 0.00 O ATOM 559 CB ALA A 39 13.479 -0.529 9.204 1.00 0.00 C ATOM 0 H ALA A 39 12.212 1.370 10.483 1.00 0.00 H new ATOM 0 HA ALA A 39 12.033 0.159 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.602 -1.500 8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 39 14.247 0.155 8.843 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.574 -0.644 10.284 1.00 0.00 H new ATOM 565 N LEU A 40 9.991 -1.097 8.473 1.00 0.00 N ATOM 566 CA LEU A 40 8.874 -1.983 8.796 1.00 0.00 C ATOM 567 C LEU A 40 8.553 -2.932 7.642 1.00 0.00 C ATOM 568 O LEU A 40 9.268 -2.977 6.640 1.00 0.00 O ATOM 569 CB LEU A 40 7.609 -1.191 9.206 1.00 0.00 C ATOM 570 CG LEU A 40 7.246 0.084 8.406 1.00 0.00 C ATOM 571 CD1 LEU A 40 8.086 1.267 8.854 1.00 0.00 C ATOM 572 CD2 LEU A 40 7.379 -0.122 6.902 1.00 0.00 C ATOM 0 H LEU A 40 9.915 -0.630 7.569 1.00 0.00 H new ATOM 0 HA LEU A 40 9.191 -2.580 9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.759 -1.871 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.721 -0.906 10.252 1.00 0.00 H new ATOM 0 HG LEU A 40 6.198 0.299 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.810 2.149 8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.910 1.458 9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.141 1.045 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.114 0.800 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.408 -0.391 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.711 -0.922 6.584 1.00 0.00 H new ATOM 584 N LYS A 41 7.472 -3.689 7.796 1.00 0.00 N ATOM 585 CA LYS A 41 7.044 -4.636 6.777 1.00 0.00 C ATOM 586 C LYS A 41 6.049 -3.983 5.827 1.00 0.00 C ATOM 587 O LYS A 41 5.058 -3.387 6.258 1.00 0.00 O ATOM 588 CB LYS A 41 6.422 -5.876 7.424 1.00 0.00 C ATOM 589 CG LYS A 41 7.404 -7.019 7.639 1.00 0.00 C ATOM 590 CD LYS A 41 8.524 -6.645 8.599 1.00 0.00 C ATOM 591 CE LYS A 41 7.998 -6.338 9.994 1.00 0.00 C ATOM 592 NZ LYS A 41 9.090 -5.957 10.924 1.00 0.00 N ATOM 0 H LYS A 41 6.874 -3.663 8.622 1.00 0.00 H new ATOM 0 HA LYS A 41 7.920 -4.944 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.991 -5.595 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.602 -6.228 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.870 -7.886 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.833 -7.312 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.243 -7.462 8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.058 -5.777 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.270 -5.529 9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.475 -7.211 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.692 -5.756 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.772 -6.739 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.573 -5.109 10.564 1.00 0.00 H new ATOM 606 N ARG A 42 6.307 -4.119 4.536 1.00 0.00 N ATOM 607 CA ARG A 42 5.457 -3.528 3.509 1.00 0.00 C ATOM 608 C ARG A 42 4.044 -4.102 3.539 1.00 0.00 C ATOM 609 O ARG A 42 3.069 -3.366 3.400 1.00 0.00 O ATOM 610 CB ARG A 42 6.080 -3.728 2.126 1.00 0.00 C ATOM 611 CG ARG A 42 6.491 -5.163 1.843 1.00 0.00 C ATOM 612 CD ARG A 42 7.215 -5.285 0.514 1.00 0.00 C ATOM 613 NE ARG A 42 7.674 -6.650 0.271 1.00 0.00 N ATOM 614 CZ ARG A 42 7.086 -7.495 -0.572 1.00 0.00 C ATOM 615 NH1 ARG A 42 5.998 -7.127 -1.245 1.00 0.00 N ATOM 616 NH2 ARG A 42 7.578 -8.717 -0.730 1.00 0.00 N ATOM 0 H ARG A 42 7.105 -4.638 4.170 1.00 0.00 H new ATOM 0 HA ARG A 42 5.382 -2.461 3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.367 -3.407 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.955 -3.084 2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.137 -5.522 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.607 -5.801 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.550 -4.976 -0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.068 -4.607 0.501 1.00 0.00 H new ATOM 0 HE ARG A 42 8.496 -6.976 0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.610 -6.192 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.552 -7.780 -1.890 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.404 -9.006 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.130 -9.368 -1.375 1.00 0.00 H new ATOM 630 N SER A 43 3.932 -5.408 3.744 1.00 0.00 N ATOM 631 CA SER A 43 2.629 -6.053 3.782 1.00 0.00 C ATOM 632 C SER A 43 1.823 -5.588 4.994 1.00 0.00 C ATOM 633 O SER A 43 0.597 -5.556 4.949 1.00 0.00 O ATOM 634 CB SER A 43 2.781 -7.573 3.773 1.00 0.00 C ATOM 635 OG SER A 43 3.295 -8.016 2.523 1.00 0.00 O ATOM 0 H SER A 43 4.723 -6.037 3.885 1.00 0.00 H new ATOM 0 HA SER A 43 2.079 -5.762 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.449 -7.882 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.815 -8.042 3.962 1.00 0.00 H new ATOM 0 HG SER A 43 3.388 -8.992 2.535 1.00 0.00 H new ATOM 641 N GLU A 44 2.517 -5.213 6.069 1.00 0.00 N ATOM 642 CA GLU A 44 1.851 -4.729 7.275 1.00 0.00 C ATOM 643 C GLU A 44 1.296 -3.336 7.033 1.00 0.00 C ATOM 644 O GLU A 44 0.240 -2.976 7.555 1.00 0.00 O ATOM 645 CB GLU A 44 2.806 -4.721 8.463 1.00 0.00 C ATOM 646 CG GLU A 44 3.038 -6.101 9.044 1.00 0.00 C ATOM 647 CD GLU A 44 3.224 -6.072 10.544 1.00 0.00 C ATOM 648 OE1 GLU A 44 4.362 -5.858 11.003 1.00 0.00 O ATOM 649 OE2 GLU A 44 2.228 -6.257 11.277 1.00 0.00 O ATOM 0 H GLU A 44 3.535 -5.235 6.128 1.00 0.00 H new ATOM 0 HA GLU A 44 1.030 -5.406 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.761 -4.298 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.407 -4.068 9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.192 -6.743 8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.919 -6.544 8.580 1.00 0.00 H new ATOM 656 N LEU A 45 2.025 -2.560 6.241 1.00 0.00 N ATOM 657 CA LEU A 45 1.604 -1.216 5.875 1.00 0.00 C ATOM 658 C LEU A 45 0.263 -1.311 5.148 1.00 0.00 C ATOM 659 O LEU A 45 -0.673 -0.562 5.427 1.00 0.00 O ATOM 660 CB LEU A 45 2.684 -0.568 4.984 1.00 0.00 C ATOM 661 CG LEU A 45 2.403 0.843 4.440 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.696 0.776 3.095 1.00 0.00 C ATOM 663 CD2 LEU A 45 1.593 1.668 5.427 1.00 0.00 C ATOM 0 H LEU A 45 2.918 -2.843 5.837 1.00 0.00 H new ATOM 0 HA LEU A 45 1.480 -0.592 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.612 -0.530 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.859 -1.228 4.134 1.00 0.00 H new ATOM 0 HG LEU A 45 3.365 1.337 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.509 1.786 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.324 0.244 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.748 0.249 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.413 2.659 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.640 1.175 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.145 1.762 6.362 1.00 0.00 H new ATOM 675 N VAL A 46 0.189 -2.257 4.225 1.00 0.00 N ATOM 676 CA VAL A 46 -1.024 -2.496 3.463 1.00 0.00 C ATOM 677 C VAL A 46 -2.096 -3.120 4.354 1.00 0.00 C ATOM 678 O VAL A 46 -3.280 -2.820 4.226 1.00 0.00 O ATOM 679 CB VAL A 46 -0.753 -3.444 2.272 1.00 0.00 C ATOM 680 CG1 VAL A 46 -1.980 -3.566 1.384 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.443 -2.968 1.464 1.00 0.00 C ATOM 0 H VAL A 46 0.963 -2.876 3.985 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.370 -1.534 3.084 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.525 -4.431 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.763 -4.238 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.812 -3.964 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.247 -2.583 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.615 -3.650 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.247 -1.967 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.327 -2.944 2.102 1.00 0.00 H new ATOM 691 N ASN A 47 -1.649 -3.972 5.272 1.00 0.00 N ATOM 692 CA ASN A 47 -2.533 -4.685 6.191 1.00 0.00 C ATOM 693 C ASN A 47 -3.425 -3.741 6.991 1.00 0.00 C ATOM 694 O ASN A 47 -4.652 -3.840 6.922 1.00 0.00 O ATOM 695 CB ASN A 47 -1.704 -5.552 7.143 1.00 0.00 C ATOM 696 CG ASN A 47 -2.542 -6.558 7.907 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.516 -7.102 7.385 1.00 0.00 O ATOM 698 ND2 ASN A 47 -2.163 -6.813 9.149 1.00 0.00 N ATOM 0 H ASN A 47 -0.661 -4.189 5.401 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.187 -5.315 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.941 -6.081 6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.183 -4.908 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.684 -7.483 9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.349 -6.339 9.541 1.00 0.00 H new ATOM 705 N TRP A 48 -2.822 -2.819 7.735 1.00 0.00 N ATOM 706 CA TRP A 48 -3.608 -1.890 8.539 1.00 0.00 C ATOM 707 C TRP A 48 -4.353 -0.904 7.647 1.00 0.00 C ATOM 708 O TRP A 48 -5.430 -0.426 8.008 1.00 0.00 O ATOM 709 CB TRP A 48 -2.744 -1.156 9.587 1.00 0.00 C ATOM 710 CG TRP A 48 -1.872 -0.057 9.048 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.548 -0.142 8.735 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.257 1.300 8.779 1.00 0.00 C ATOM 713 NE1 TRP A 48 -0.091 1.069 8.277 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.120 1.969 8.295 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.455 2.008 8.895 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -1.150 3.313 7.923 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.483 3.339 8.526 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.336 3.979 8.045 1.00 0.00 C ATOM 0 H TRP A 48 -1.811 -2.696 7.798 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.343 -2.475 9.091 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.403 -0.734 10.346 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.110 -1.888 10.087 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.054 -1.033 8.833 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.862 1.265 7.972 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.345 1.523 9.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.266 3.810 7.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.405 3.894 8.610 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.389 5.021 7.765 1.00 0.00 H new ATOM 729 N TYR A 49 -3.784 -0.616 6.475 1.00 0.00 N ATOM 730 CA TYR A 49 -4.408 0.311 5.538 1.00 0.00 C ATOM 731 C TYR A 49 -5.797 -0.180 5.159 1.00 0.00 C ATOM 732 O TYR A 49 -6.772 0.570 5.222 1.00 0.00 O ATOM 733 CB TYR A 49 -3.563 0.480 4.270 1.00 0.00 C ATOM 734 CG TYR A 49 -4.115 1.542 3.338 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.483 2.787 3.835 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.294 1.300 1.977 1.00 0.00 C ATOM 737 CE1 TYR A 49 -5.005 3.760 3.010 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.822 2.271 1.148 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.174 3.500 1.670 1.00 0.00 C ATOM 740 OH TYR A 49 -5.705 4.468 0.850 1.00 0.00 O ATOM 0 H TYR A 49 -2.899 -1.010 6.156 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.483 1.279 6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.543 0.742 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.514 -0.472 3.741 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.358 2.996 4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.016 0.341 1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.280 4.723 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.959 2.070 0.096 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.982 5.021 0.486 1.00 0.00 H new ATOM 750 N LEU A 50 -5.878 -1.451 4.789 1.00 0.00 N ATOM 751 CA LEU A 50 -7.145 -2.054 4.396 1.00 0.00 C ATOM 752 C LEU A 50 -8.113 -2.077 5.563 1.00 0.00 C ATOM 753 O LEU A 50 -9.294 -1.795 5.401 1.00 0.00 O ATOM 754 CB LEU A 50 -6.927 -3.476 3.897 1.00 0.00 C ATOM 755 CG LEU A 50 -5.766 -3.650 2.929 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.431 -5.121 2.789 1.00 0.00 C ATOM 757 CD2 LEU A 50 -6.095 -3.035 1.576 1.00 0.00 C ATOM 0 H LEU A 50 -5.080 -2.085 4.753 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.567 -1.450 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.763 -4.125 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.840 -3.817 3.410 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.894 -3.130 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.599 -5.240 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.152 -5.525 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.300 -5.658 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.251 -3.171 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.976 -3.523 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.294 -1.970 1.699 1.00 0.00 H new ATOM 769 N LYS A 51 -7.602 -2.404 6.739 1.00 0.00 N ATOM 770 CA LYS A 51 -8.425 -2.476 7.937 1.00 0.00 C ATOM 771 C LYS A 51 -9.064 -1.132 8.268 1.00 0.00 C ATOM 772 O LYS A 51 -10.224 -1.070 8.676 1.00 0.00 O ATOM 773 CB LYS A 51 -7.594 -2.981 9.117 1.00 0.00 C ATOM 774 CG LYS A 51 -7.458 -4.492 9.129 1.00 0.00 C ATOM 775 CD LYS A 51 -8.818 -5.150 8.980 1.00 0.00 C ATOM 776 CE LYS A 51 -8.731 -6.488 8.264 1.00 0.00 C ATOM 777 NZ LYS A 51 -10.071 -7.110 8.093 1.00 0.00 N ATOM 0 H LYS A 51 -6.618 -2.625 6.890 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.234 -3.180 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.602 -2.531 9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.056 -2.654 10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.803 -4.810 8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.992 -4.814 10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.260 -5.295 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.483 -4.486 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.268 -6.348 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.087 -7.162 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.007 -7.888 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.400 -7.481 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.743 -6.396 7.747 1.00 0.00 H new ATOM 791 N GLU A 52 -8.314 -0.065 8.070 1.00 0.00 N ATOM 792 CA GLU A 52 -8.807 1.278 8.348 1.00 0.00 C ATOM 793 C GLU A 52 -9.806 1.746 7.294 1.00 0.00 C ATOM 794 O GLU A 52 -10.771 2.440 7.611 1.00 0.00 O ATOM 795 CB GLU A 52 -7.644 2.263 8.423 1.00 0.00 C ATOM 796 CG GLU A 52 -6.828 2.136 9.698 1.00 0.00 C ATOM 797 CD GLU A 52 -7.649 2.393 10.944 1.00 0.00 C ATOM 798 OE1 GLU A 52 -8.603 3.197 10.881 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.344 1.795 11.998 1.00 0.00 O ATOM 0 H GLU A 52 -7.358 -0.098 7.717 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.321 1.243 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.990 2.108 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.032 3.279 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.398 1.136 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.996 2.840 9.664 1.00 0.00 H new ATOM 806 N ILE A 53 -9.583 1.359 6.044 1.00 0.00 N ATOM 807 CA ILE A 53 -10.463 1.775 4.956 1.00 0.00 C ATOM 808 C ILE A 53 -11.629 0.814 4.754 1.00 0.00 C ATOM 809 O ILE A 53 -12.546 1.109 3.994 1.00 0.00 O ATOM 810 CB ILE A 53 -9.701 1.913 3.620 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.117 0.562 3.198 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.606 2.966 3.741 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.418 0.590 1.857 1.00 0.00 C ATOM 0 H ILE A 53 -8.807 0.762 5.758 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.853 2.748 5.253 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.400 2.237 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.411 0.229 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.919 -0.175 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.078 3.052 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.052 3.927 3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.904 2.673 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.031 -0.403 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.125 0.892 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.593 1.302 1.891 1.00 0.00 H new ATOM 825 N GLU A 54 -11.602 -0.325 5.429 1.00 0.00 N ATOM 826 CA GLU A 54 -12.668 -1.317 5.297 1.00 0.00 C ATOM 827 C GLU A 54 -14.037 -0.720 5.602 1.00 0.00 C ATOM 828 O GLU A 54 -15.048 -1.146 5.045 1.00 0.00 O ATOM 829 CB GLU A 54 -12.411 -2.512 6.212 1.00 0.00 C ATOM 830 CG GLU A 54 -11.748 -3.684 5.504 1.00 0.00 C ATOM 831 CD GLU A 54 -12.226 -5.020 6.027 1.00 0.00 C ATOM 832 OE1 GLU A 54 -11.865 -5.384 7.164 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.975 -5.709 5.302 1.00 0.00 O ATOM 0 H GLU A 54 -10.857 -0.589 6.074 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.667 -1.652 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.780 -2.195 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.358 -2.843 6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.952 -3.622 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.667 -3.615 5.627 1.00 0.00 H new ATOM 840 N SER A 55 -14.061 0.275 6.472 1.00 0.00 N ATOM 841 CA SER A 55 -15.296 0.928 6.859 1.00 0.00 C ATOM 842 C SER A 55 -15.771 1.936 5.805 1.00 0.00 C ATOM 843 O SER A 55 -16.960 2.243 5.731 1.00 0.00 O ATOM 844 CB SER A 55 -15.086 1.622 8.200 1.00 0.00 C ATOM 845 OG SER A 55 -13.709 1.611 8.552 1.00 0.00 O ATOM 0 H SER A 55 -13.229 0.650 6.927 1.00 0.00 H new ATOM 0 HA SER A 55 -16.075 0.170 6.944 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.446 2.649 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.669 1.120 8.972 1.00 0.00 H new ATOM 0 HG SER A 55 -13.588 2.061 9.414 1.00 0.00 H new ATOM 851 N GLU A 56 -14.852 2.442 4.984 1.00 0.00 N ATOM 852 CA GLU A 56 -15.212 3.414 3.955 1.00 0.00 C ATOM 853 C GLU A 56 -15.537 2.702 2.647 1.00 0.00 C ATOM 854 O GLU A 56 -16.216 3.253 1.780 1.00 0.00 O ATOM 855 CB GLU A 56 -14.089 4.444 3.743 1.00 0.00 C ATOM 856 CG GLU A 56 -12.840 3.884 3.078 1.00 0.00 C ATOM 857 CD GLU A 56 -11.856 4.957 2.658 1.00 0.00 C ATOM 858 OE1 GLU A 56 -11.554 5.852 3.477 1.00 0.00 O ATOM 859 OE2 GLU A 56 -11.376 4.913 1.505 1.00 0.00 O ATOM 0 H GLU A 56 -13.862 2.198 5.011 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.098 3.952 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.474 5.263 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.813 4.867 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.347 3.197 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.131 3.304 2.202 1.00 0.00 H new ATOM 866 N ILE A 57 -15.061 1.472 2.525 1.00 0.00 N ATOM 867 CA ILE A 57 -15.296 0.673 1.333 1.00 0.00 C ATOM 868 C ILE A 57 -16.772 0.313 1.211 1.00 0.00 C ATOM 869 O ILE A 57 -17.294 -0.480 1.996 1.00 0.00 O ATOM 870 CB ILE A 57 -14.460 -0.628 1.342 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.965 -0.316 1.429 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.753 -1.466 0.109 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.466 0.609 0.340 1.00 0.00 C ATOM 0 H ILE A 57 -14.507 1.004 3.242 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.991 1.278 0.479 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.743 -1.201 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.754 0.134 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.406 -1.250 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -14.154 -2.376 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.811 -1.728 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.505 -0.895 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.398 0.782 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.643 0.153 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.997 1.559 0.398 1.00 0.00 H new ATOM 885 N ASP A 58 -17.442 0.919 0.243 1.00 0.00 N ATOM 886 CA ASP A 58 -18.856 0.653 0.002 1.00 0.00 C ATOM 887 C ASP A 58 -18.991 -0.272 -1.199 1.00 0.00 C ATOM 888 O ASP A 58 -20.030 -0.893 -1.429 1.00 0.00 O ATOM 889 CB ASP A 58 -19.616 1.961 -0.243 1.00 0.00 C ATOM 890 CG ASP A 58 -21.085 1.738 -0.547 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.794 1.146 0.296 1.00 0.00 O ATOM 892 OD2 ASP A 58 -21.541 2.156 -1.633 1.00 0.00 O ATOM 0 H ASP A 58 -17.029 1.602 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.287 0.173 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.524 2.599 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.154 2.494 -1.074 1.00 0.00 H new ATOM 897 N SER A 59 -17.907 -0.375 -1.944 1.00 0.00 N ATOM 898 CA SER A 59 -17.855 -1.211 -3.123 1.00 0.00 C ATOM 899 C SER A 59 -16.533 -1.954 -3.136 1.00 0.00 C ATOM 900 O SER A 59 -15.490 -1.360 -2.868 1.00 0.00 O ATOM 901 CB SER A 59 -18.000 -0.358 -4.386 1.00 0.00 C ATOM 902 OG SER A 59 -18.107 -1.165 -5.545 1.00 0.00 O ATOM 0 H SER A 59 -17.037 0.120 -1.747 1.00 0.00 H new ATOM 0 HA SER A 59 -18.677 -1.927 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.882 0.276 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.140 0.305 -4.480 1.00 0.00 H new ATOM 0 HG SER A 59 -18.200 -0.592 -6.335 1.00 0.00 H new ATOM 908 N GLU A 60 -16.572 -3.243 -3.439 1.00 0.00 N ATOM 909 CA GLU A 60 -15.359 -4.046 -3.470 1.00 0.00 C ATOM 910 C GLU A 60 -14.369 -3.465 -4.460 1.00 0.00 C ATOM 911 O GLU A 60 -13.161 -3.542 -4.258 1.00 0.00 O ATOM 912 CB GLU A 60 -15.675 -5.498 -3.818 1.00 0.00 C ATOM 913 CG GLU A 60 -15.171 -6.470 -2.770 1.00 0.00 C ATOM 914 CD GLU A 60 -15.479 -5.999 -1.365 1.00 0.00 C ATOM 915 OE1 GLU A 60 -16.569 -6.324 -0.852 1.00 0.00 O ATOM 916 OE2 GLU A 60 -14.643 -5.285 -0.779 1.00 0.00 O ATOM 0 H GLU A 60 -17.426 -3.753 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.911 -4.027 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.753 -5.615 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.227 -5.743 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.626 -7.447 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.094 -6.597 -2.882 1.00 0.00 H new ATOM 923 N GLU A 61 -14.896 -2.849 -5.509 1.00 0.00 N ATOM 924 CA GLU A 61 -14.070 -2.227 -6.530 1.00 0.00 C ATOM 925 C GLU A 61 -13.122 -1.207 -5.908 1.00 0.00 C ATOM 926 O GLU A 61 -11.999 -1.036 -6.370 1.00 0.00 O ATOM 927 CB GLU A 61 -14.943 -1.548 -7.579 1.00 0.00 C ATOM 928 CG GLU A 61 -15.465 -2.494 -8.647 1.00 0.00 C ATOM 929 CD GLU A 61 -16.186 -1.766 -9.761 1.00 0.00 C ATOM 930 OE1 GLU A 61 -15.655 -0.745 -10.248 1.00 0.00 O ATOM 931 OE2 GLU A 61 -17.290 -2.206 -10.153 1.00 0.00 O ATOM 0 H GLU A 61 -15.899 -2.767 -5.674 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.479 -3.007 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.789 -1.073 -7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.369 -0.755 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.633 -3.060 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.143 -3.215 -8.190 1.00 0.00 H new ATOM 938 N GLU A 62 -13.582 -0.545 -4.850 1.00 0.00 N ATOM 939 CA GLU A 62 -12.773 0.446 -4.155 1.00 0.00 C ATOM 940 C GLU A 62 -11.629 -0.236 -3.416 1.00 0.00 C ATOM 941 O GLU A 62 -10.473 0.161 -3.541 1.00 0.00 O ATOM 942 CB GLU A 62 -13.623 1.242 -3.162 1.00 0.00 C ATOM 943 CG GLU A 62 -14.912 1.784 -3.750 1.00 0.00 C ATOM 944 CD GLU A 62 -15.639 2.713 -2.800 1.00 0.00 C ATOM 945 OE1 GLU A 62 -16.061 2.256 -1.718 1.00 0.00 O ATOM 946 OE2 GLU A 62 -15.785 3.910 -3.127 1.00 0.00 O ATOM 0 H GLU A 62 -14.513 -0.679 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.366 1.133 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.864 0.604 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.032 2.074 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.690 2.317 -4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.566 0.952 -4.011 1.00 0.00 H new ATOM 953 N LEU A 63 -11.964 -1.279 -2.663 1.00 0.00 N ATOM 954 CA LEU A 63 -10.980 -2.034 -1.892 1.00 0.00 C ATOM 955 C LEU A 63 -9.982 -2.717 -2.812 1.00 0.00 C ATOM 956 O LEU A 63 -8.771 -2.672 -2.580 1.00 0.00 O ATOM 957 CB LEU A 63 -11.687 -3.062 -1.012 1.00 0.00 C ATOM 958 CG LEU A 63 -10.802 -3.740 0.035 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.086 -2.706 0.890 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.633 -4.662 0.909 1.00 0.00 C ATOM 0 H LEU A 63 -12.919 -1.624 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.431 -1.341 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.516 -2.571 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.118 -3.831 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.050 -4.332 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.463 -3.212 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.460 -2.079 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.821 -2.085 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.990 -5.138 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.405 -4.084 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.101 -5.427 0.289 1.00 0.00 H new ATOM 972 N ILE A 64 -10.497 -3.340 -3.858 1.00 0.00 N ATOM 973 CA ILE A 64 -9.662 -4.019 -4.831 1.00 0.00 C ATOM 974 C ILE A 64 -8.765 -3.003 -5.541 1.00 0.00 C ATOM 975 O ILE A 64 -7.613 -3.293 -5.869 1.00 0.00 O ATOM 976 CB ILE A 64 -10.536 -4.810 -5.831 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.292 -5.904 -5.066 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.692 -5.416 -6.948 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.577 -6.364 -5.716 1.00 0.00 C ATOM 0 H ILE A 64 -11.497 -3.389 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.020 -4.737 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.247 -4.130 -6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.634 -6.765 -4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.520 -5.536 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.337 -5.965 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.180 -4.621 -7.490 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.955 -6.096 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -13.039 -7.137 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.260 -5.520 -5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.360 -6.767 -6.705 1.00 0.00 H new ATOM 991 N ASN A 65 -9.291 -1.799 -5.740 1.00 0.00 N ATOM 992 CA ASN A 65 -8.535 -0.723 -6.370 1.00 0.00 C ATOM 993 C ASN A 65 -7.412 -0.264 -5.441 1.00 0.00 C ATOM 994 O ASN A 65 -6.260 -0.140 -5.857 1.00 0.00 O ATOM 995 CB ASN A 65 -9.461 0.454 -6.715 1.00 0.00 C ATOM 996 CG ASN A 65 -8.767 1.803 -6.677 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.875 2.495 -5.551 1.00 0.00 O flip ATOM 998 ND2 ASN A 65 -8.155 2.227 -7.655 1.00 0.00 N flip ATOM 0 H ASN A 65 -10.242 -1.543 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.097 -1.096 -7.296 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.879 0.297 -7.709 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.297 0.465 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.095 1.663 -8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.707 3.143 -7.619 1.00 0.00 H new ATOM 1005 N LYS A 66 -7.763 -0.036 -4.175 1.00 0.00 N ATOM 1006 CA LYS A 66 -6.801 0.400 -3.168 1.00 0.00 C ATOM 1007 C LYS A 66 -5.659 -0.601 -3.060 1.00 0.00 C ATOM 1008 O LYS A 66 -4.496 -0.216 -3.002 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.490 0.572 -1.815 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.506 1.707 -1.791 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.042 2.853 -0.910 1.00 0.00 C ATOM 1012 CE LYS A 66 -9.044 3.997 -0.891 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.419 3.542 -0.546 1.00 0.00 N ATOM 0 H LYS A 66 -8.714 -0.148 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.390 1.363 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.991 -0.359 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.734 0.755 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.670 2.070 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.463 1.332 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.887 2.490 0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.080 3.219 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.721 4.747 -0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.059 4.480 -1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.915 4.297 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.940 3.318 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.364 2.693 0.052 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.007 -1.883 -3.055 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.021 -2.952 -2.978 1.00 0.00 C ATOM 1029 C LYS A 67 -4.065 -2.904 -4.166 1.00 0.00 C ATOM 1030 O LYS A 67 -2.848 -2.981 -4.004 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.726 -4.304 -2.951 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.906 -4.886 -1.563 1.00 0.00 C ATOM 1033 CD LYS A 67 -4.656 -5.614 -1.099 1.00 0.00 C ATOM 1034 CE LYS A 67 -4.990 -6.662 -0.054 1.00 0.00 C ATOM 1035 NZ LYS A 67 -3.769 -7.259 0.554 1.00 0.00 N ATOM 0 H LYS A 67 -6.973 -2.208 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.445 -2.816 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.705 -4.199 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.157 -5.009 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.145 -4.088 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.751 -5.575 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.170 -6.088 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.946 -4.897 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.600 -6.211 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.589 -7.450 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.045 -7.969 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.198 -7.713 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.209 -6.512 1.013 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.633 -2.770 -5.357 1.00 0.00 N ATOM 1050 CA ARG A 68 -3.852 -2.715 -6.585 1.00 0.00 C ATOM 1051 C ARG A 68 -2.900 -1.527 -6.587 1.00 0.00 C ATOM 1052 O ARG A 68 -1.797 -1.616 -7.118 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.780 -2.622 -7.795 1.00 0.00 C ATOM 1054 CG ARG A 68 -5.483 -3.926 -8.132 1.00 0.00 C ATOM 1055 CD ARG A 68 -6.782 -3.681 -8.885 1.00 0.00 C ATOM 1056 NE ARG A 68 -6.582 -2.893 -10.099 1.00 0.00 N ATOM 1057 CZ ARG A 68 -7.326 -1.841 -10.438 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -8.310 -1.436 -9.652 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -7.092 -1.195 -11.569 1.00 0.00 N ATOM 0 H ARG A 68 -5.640 -2.697 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.262 -3.630 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.530 -1.854 -7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.202 -2.298 -8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.824 -4.551 -8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.691 -4.476 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.233 -4.638 -9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.486 -3.165 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.825 -3.165 -10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.503 -1.930 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.876 -0.630 -9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.339 -1.502 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.664 -0.390 -11.824 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.328 -0.420 -5.995 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.510 0.783 -5.950 1.00 0.00 C ATOM 1075 C ILE A 69 -1.463 0.727 -4.839 1.00 0.00 C ATOM 1076 O ILE A 69 -0.283 0.979 -5.083 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.370 2.048 -5.756 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.334 2.228 -6.929 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.481 3.278 -5.605 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -5.110 3.528 -6.884 1.00 0.00 C ATOM 0 H ILE A 69 -4.236 -0.331 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.001 0.833 -6.913 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.956 1.929 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.771 2.183 -7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.037 1.395 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.103 4.162 -5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.832 3.154 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.871 3.398 -6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.773 3.586 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.701 3.567 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.415 4.367 -6.903 1.00 0.00 H new ATOM 1092 N ILE A 70 -1.892 0.381 -3.627 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.991 0.335 -2.477 1.00 0.00 C ATOM 1094 C ILE A 70 0.182 -0.627 -2.698 1.00 0.00 C ATOM 1095 O ILE A 70 1.320 -0.303 -2.371 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.742 -0.012 -1.165 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.824 0.181 0.043 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.288 -1.429 -1.194 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.300 1.594 0.181 1.00 0.00 C ATOM 0 H ILE A 70 -2.857 0.128 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.580 1.339 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.589 0.669 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.367 -0.087 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.019 -0.505 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.808 -1.638 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.983 -1.534 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.465 -2.133 -1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.344 1.659 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.271 1.859 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.137 2.283 0.293 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.084 -1.786 -3.278 1.00 0.00 N ATOM 1112 CA GLU A 71 0.973 -2.756 -3.534 1.00 0.00 C ATOM 1113 C GLU A 71 1.823 -2.299 -4.719 1.00 0.00 C ATOM 1114 O GLU A 71 3.036 -2.525 -4.759 1.00 0.00 O ATOM 1115 CB GLU A 71 0.370 -4.140 -3.798 1.00 0.00 C ATOM 1116 CG GLU A 71 1.391 -5.204 -4.170 1.00 0.00 C ATOM 1117 CD GLU A 71 2.262 -5.653 -3.008 1.00 0.00 C ATOM 1118 OE1 GLU A 71 2.007 -5.242 -1.858 1.00 0.00 O ATOM 1119 OE2 GLU A 71 3.216 -6.426 -3.247 1.00 0.00 O ATOM 0 H GLU A 71 -1.014 -2.078 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 71 1.614 -2.826 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.169 -4.465 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.362 -4.058 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.868 -6.070 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.031 -4.818 -4.963 1.00 0.00 H new ATOM 1126 N LYS A 72 1.180 -1.620 -5.664 1.00 0.00 N ATOM 1127 CA LYS A 72 1.861 -1.122 -6.856 1.00 0.00 C ATOM 1128 C LYS A 72 2.868 -0.037 -6.502 1.00 0.00 C ATOM 1129 O LYS A 72 4.010 -0.075 -6.957 1.00 0.00 O ATOM 1130 CB LYS A 72 0.851 -0.564 -7.859 1.00 0.00 C ATOM 1131 CG LYS A 72 1.433 -0.303 -9.237 1.00 0.00 C ATOM 1132 CD LYS A 72 0.520 0.583 -10.070 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.895 0.031 -10.142 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.780 0.876 -10.985 1.00 0.00 N ATOM 0 H LYS A 72 0.184 -1.401 -5.628 1.00 0.00 H new ATOM 0 HA LYS A 72 2.392 -1.962 -7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.021 -1.265 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.440 0.366 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.409 0.171 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.591 -1.251 -9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.497 1.585 -9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.925 0.676 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.869 -0.981 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.309 -0.037 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.735 0.464 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.826 1.836 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.400 0.920 -11.952 1.00 0.00 H new ATOM 1148 N VAL A 73 2.446 0.928 -5.689 1.00 0.00 N ATOM 1149 CA VAL A 73 3.325 2.026 -5.296 1.00 0.00 C ATOM 1150 C VAL A 73 4.529 1.513 -4.508 1.00 0.00 C ATOM 1151 O VAL A 73 5.637 2.016 -4.674 1.00 0.00 O ATOM 1152 CB VAL A 73 2.584 3.124 -4.493 1.00 0.00 C ATOM 1153 CG1 VAL A 73 1.488 3.755 -5.338 1.00 0.00 C ATOM 1154 CG2 VAL A 73 2.014 2.576 -3.195 1.00 0.00 C ATOM 0 H VAL A 73 1.508 0.972 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 73 3.678 2.484 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 73 3.310 3.894 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.978 4.524 -4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.928 4.204 -6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.771 2.989 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.501 3.374 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.308 1.776 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.823 2.185 -2.578 1.00 0.00 H new ATOM 1164 N ILE A 74 4.320 0.500 -3.671 1.00 0.00 N ATOM 1165 CA ILE A 74 5.414 -0.074 -2.899 1.00 0.00 C ATOM 1166 C ILE A 74 6.399 -0.761 -3.844 1.00 0.00 C ATOM 1167 O ILE A 74 7.616 -0.572 -3.748 1.00 0.00 O ATOM 1168 CB ILE A 74 4.910 -1.086 -1.845 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.981 -0.397 -0.841 1.00 0.00 C ATOM 1170 CG2 ILE A 74 6.087 -1.729 -1.123 1.00 0.00 C ATOM 1171 CD1 ILE A 74 3.252 -1.358 0.081 1.00 0.00 C ATOM 0 H ILE A 74 3.412 0.064 -3.512 1.00 0.00 H new ATOM 0 HA ILE A 74 5.908 0.738 -2.366 1.00 0.00 H new ATOM 0 HB ILE A 74 4.347 -1.866 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.565 0.298 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.247 0.195 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.716 -2.439 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.715 -2.251 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.673 -0.958 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.614 -0.795 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.639 -2.037 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.978 -1.933 0.655 1.00 0.00 H new ATOM 1183 N HIS A 75 5.853 -1.541 -4.775 1.00 0.00 N ATOM 1184 CA HIS A 75 6.657 -2.253 -5.761 1.00 0.00 C ATOM 1185 C HIS A 75 7.413 -1.256 -6.642 1.00 0.00 C ATOM 1186 O HIS A 75 8.574 -1.472 -6.993 1.00 0.00 O ATOM 1187 CB HIS A 75 5.755 -3.165 -6.612 1.00 0.00 C ATOM 1188 CG HIS A 75 6.411 -3.719 -7.846 1.00 0.00 C ATOM 1189 ND1 HIS A 75 7.390 -4.689 -7.820 1.00 0.00 N ATOM 1190 CD2 HIS A 75 6.230 -3.411 -9.152 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.777 -4.951 -9.053 1.00 0.00 C ATOM 1192 NE2 HIS A 75 7.091 -4.191 -9.881 1.00 0.00 N ATOM 0 H HIS A 75 4.849 -1.695 -4.865 1.00 0.00 H new ATOM 0 HA HIS A 75 7.389 -2.876 -5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.414 -3.995 -5.994 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.869 -2.603 -6.908 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.535 -2.685 -9.547 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.532 -5.670 -9.337 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.184 -4.184 -10.897 1.00 0.00 H new ATOM 1201 N ARG A 76 6.741 -0.165 -6.992 1.00 0.00 N ATOM 1202 CA ARG A 76 7.332 0.880 -7.817 1.00 0.00 C ATOM 1203 C ARG A 76 8.446 1.585 -7.053 1.00 0.00 C ATOM 1204 O ARG A 76 9.521 1.842 -7.590 1.00 0.00 O ATOM 1205 CB ARG A 76 6.255 1.891 -8.227 1.00 0.00 C ATOM 1206 CG ARG A 76 6.781 3.062 -9.043 1.00 0.00 C ATOM 1207 CD ARG A 76 5.730 4.153 -9.198 1.00 0.00 C ATOM 1208 NE ARG A 76 6.188 5.244 -10.058 1.00 0.00 N ATOM 1209 CZ ARG A 76 5.497 5.720 -11.095 1.00 0.00 C ATOM 1210 NH1 ARG A 76 4.274 5.271 -11.349 1.00 0.00 N ATOM 1211 NH2 ARG A 76 6.011 6.680 -11.856 1.00 0.00 N ATOM 0 H ARG A 76 5.777 0.019 -6.713 1.00 0.00 H new ATOM 0 HA ARG A 76 7.755 0.427 -8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.488 1.375 -8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.772 2.276 -7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.666 3.475 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.090 2.711 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.820 3.722 -9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.474 4.550 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 76 7.093 5.667 -9.852 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.858 4.558 -10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.750 5.639 -12.143 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.936 7.055 -11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.480 7.042 -12.648 1.00 0.00 H new ATOM 1225 N LEU A 77 8.181 1.872 -5.790 1.00 0.00 N ATOM 1226 CA LEU A 77 9.131 2.555 -4.921 1.00 0.00 C ATOM 1227 C LEU A 77 10.461 1.805 -4.802 1.00 0.00 C ATOM 1228 O LEU A 77 11.530 2.380 -5.020 1.00 0.00 O ATOM 1229 CB LEU A 77 8.503 2.734 -3.537 1.00 0.00 C ATOM 1230 CG LEU A 77 9.487 2.951 -2.390 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.967 4.391 -2.359 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.844 2.565 -1.070 1.00 0.00 C ATOM 0 H LEU A 77 7.299 1.638 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 77 9.354 3.525 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.822 3.584 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.901 1.853 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 77 10.356 2.313 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.667 4.523 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.465 4.629 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.114 5.056 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.555 2.724 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.959 3.179 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.556 1.514 -1.099 1.00 0.00 H new ATOM 1244 N THR A 78 10.390 0.520 -4.492 1.00 0.00 N ATOM 1245 CA THR A 78 11.590 -0.288 -4.300 1.00 0.00 C ATOM 1246 C THR A 78 12.220 -0.769 -5.620 1.00 0.00 C ATOM 1247 O THR A 78 13.210 -1.498 -5.605 1.00 0.00 O ATOM 1248 CB THR A 78 11.283 -1.500 -3.382 1.00 0.00 C ATOM 1249 OG1 THR A 78 12.468 -2.261 -3.122 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.224 -2.401 -4.000 1.00 0.00 C ATOM 0 H THR A 78 9.515 0.011 -4.367 1.00 0.00 H new ATOM 0 HA THR A 78 12.324 0.361 -3.823 1.00 0.00 H new ATOM 0 HB THR A 78 10.903 -1.105 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.115 -2.116 -3.844 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.029 -3.242 -3.335 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.305 -1.834 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.579 -2.773 -4.961 1.00 0.00 H new ATOM 1258 N HIS A 79 11.686 -0.355 -6.762 1.00 0.00 N ATOM 1259 CA HIS A 79 12.251 -0.805 -8.035 1.00 0.00 C ATOM 1260 C HIS A 79 12.478 0.345 -9.015 1.00 0.00 C ATOM 1261 O HIS A 79 13.585 0.527 -9.519 1.00 0.00 O ATOM 1262 CB HIS A 79 11.352 -1.873 -8.671 1.00 0.00 C ATOM 1263 CG HIS A 79 11.721 -3.282 -8.298 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.451 -3.606 -7.174 1.00 0.00 N ATOM 1265 CD2 HIS A 79 11.453 -4.459 -8.912 1.00 0.00 C ATOM 1266 CE1 HIS A 79 12.612 -4.914 -7.115 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.017 -5.457 -8.158 1.00 0.00 N ATOM 0 H HIS A 79 10.886 0.273 -6.838 1.00 0.00 H new ATOM 0 HA HIS A 79 13.227 -1.236 -7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.319 -1.688 -8.375 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.396 -1.772 -9.755 1.00 0.00 H new ATOM 0 HD1 HIS A 79 12.811 -2.937 -6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.897 -4.589 -9.828 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.142 -5.450 -6.342 1.00 0.00 H new ATOM 1276 N TYR A 80 11.444 1.128 -9.269 1.00 0.00 N ATOM 1277 CA TYR A 80 11.538 2.236 -10.213 1.00 0.00 C ATOM 1278 C TYR A 80 11.942 3.540 -9.529 1.00 0.00 C ATOM 1279 O TYR A 80 12.823 4.250 -10.011 1.00 0.00 O ATOM 1280 CB TYR A 80 10.198 2.435 -10.930 1.00 0.00 C ATOM 1281 CG TYR A 80 9.678 1.195 -11.626 1.00 0.00 C ATOM 1282 CD1 TYR A 80 10.156 0.826 -12.876 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.707 0.397 -11.032 1.00 0.00 C ATOM 1284 CE1 TYR A 80 9.681 -0.303 -13.516 1.00 0.00 C ATOM 1285 CE2 TYR A 80 8.228 -0.735 -11.665 1.00 0.00 C ATOM 1286 CZ TYR A 80 8.717 -1.080 -12.907 1.00 0.00 C ATOM 1287 OH TYR A 80 8.235 -2.204 -13.543 1.00 0.00 O ATOM 0 H TYR A 80 10.527 1.020 -8.836 1.00 0.00 H new ATOM 0 HA TYR A 80 12.313 1.978 -10.934 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.456 2.769 -10.205 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.307 3.232 -11.665 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.911 1.431 -13.356 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.320 0.666 -10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.063 -0.576 -14.489 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.475 -1.346 -11.189 1.00 0.00 H new ATOM 0 HH TYR A 80 7.563 -2.637 -12.977 1.00 0.00 H new ATOM 1297 N ASP A 81 11.295 3.841 -8.408 1.00 0.00 N ATOM 1298 CA ASP A 81 11.550 5.076 -7.662 1.00 0.00 C ATOM 1299 C ASP A 81 13.004 5.190 -7.216 1.00 0.00 C ATOM 1300 O ASP A 81 13.682 6.167 -7.533 1.00 0.00 O ATOM 1301 CB ASP A 81 10.636 5.148 -6.443 1.00 0.00 C ATOM 1302 CG ASP A 81 10.322 6.567 -6.029 1.00 0.00 C ATOM 1303 OD1 ASP A 81 11.152 7.465 -6.282 1.00 0.00 O ATOM 1304 OD2 ASP A 81 9.237 6.786 -5.458 1.00 0.00 O ATOM 0 H ASP A 81 10.583 3.242 -7.990 1.00 0.00 H new ATOM 0 HA ASP A 81 11.342 5.908 -8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.706 4.624 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.108 4.627 -5.610 1.00 0.00 H new ATOM 1309 N HIS A 82 13.465 4.189 -6.466 1.00 0.00 N ATOM 1310 CA HIS A 82 14.843 4.145 -5.959 1.00 0.00 C ATOM 1311 C HIS A 82 15.083 5.190 -4.869 1.00 0.00 C ATOM 1312 O HIS A 82 16.228 5.524 -4.561 1.00 0.00 O ATOM 1313 CB HIS A 82 15.863 4.333 -7.093 1.00 0.00 C ATOM 1314 CG HIS A 82 16.397 3.046 -7.639 1.00 0.00 C ATOM 1315 ND1 HIS A 82 16.325 2.704 -8.971 1.00 0.00 N ATOM 1316 CD2 HIS A 82 16.999 2.003 -7.018 1.00 0.00 C ATOM 1317 CE1 HIS A 82 16.863 1.512 -9.147 1.00 0.00 C ATOM 1318 NE2 HIS A 82 17.278 1.062 -7.978 1.00 0.00 N ATOM 0 H HIS A 82 12.898 3.387 -6.192 1.00 0.00 H new ATOM 0 HA HIS A 82 14.982 3.156 -5.521 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.395 4.895 -7.902 1.00 0.00 H new ATOM 0 HB3 HIS A 82 16.694 4.935 -6.726 1.00 0.00 H new ATOM 0 HD2 HIS A 82 17.219 1.926 -5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.949 0.992 -10.090 1.00 0.00 H new ATOM 0 HE2 HIS A 82 17.731 0.163 -7.815 1.00 0.00 H new ATOM 1327 N VAL A 83 14.010 5.698 -4.278 1.00 0.00 N ATOM 1328 CA VAL A 83 14.128 6.686 -3.209 1.00 0.00 C ATOM 1329 C VAL A 83 14.028 5.990 -1.848 1.00 0.00 C ATOM 1330 O VAL A 83 14.014 6.624 -0.791 1.00 0.00 O ATOM 1331 CB VAL A 83 13.057 7.801 -3.341 1.00 0.00 C ATOM 1332 CG1 VAL A 83 11.706 7.347 -2.809 1.00 0.00 C ATOM 1333 CG2 VAL A 83 13.511 9.073 -2.641 1.00 0.00 C ATOM 0 H VAL A 83 13.051 5.445 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 83 15.103 7.167 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 83 12.938 8.016 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.982 8.154 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.367 6.477 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.800 7.084 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.744 9.840 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.675 8.868 -1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.440 9.424 -3.091 1.00 0.00 H new ATOM 1343 N LEU A 84 13.981 4.666 -1.895 1.00 0.00 N ATOM 1344 CA LEU A 84 13.888 3.856 -0.692 1.00 0.00 C ATOM 1345 C LEU A 84 15.271 3.362 -0.275 1.00 0.00 C ATOM 1346 O LEU A 84 16.243 3.517 -1.017 1.00 0.00 O ATOM 1347 CB LEU A 84 12.903 2.679 -0.890 1.00 0.00 C ATOM 1348 CG LEU A 84 13.322 1.505 -1.817 1.00 0.00 C ATOM 1349 CD1 LEU A 84 14.070 1.970 -3.059 1.00 0.00 C ATOM 1350 CD2 LEU A 84 14.136 0.467 -1.059 1.00 0.00 C ATOM 0 H LEU A 84 14.006 4.128 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 84 13.495 4.477 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.684 2.262 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.971 3.090 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 84 12.396 1.042 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.337 1.106 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.433 2.639 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.976 2.498 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.414 -0.342 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.037 0.932 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.541 0.066 -0.239 1.00 0.00 H new ATOM 1362 N ILE A 85 15.350 2.783 0.912 1.00 0.00 N ATOM 1363 CA ILE A 85 16.605 2.262 1.428 1.00 0.00 C ATOM 1364 C ILE A 85 16.473 0.779 1.764 1.00 0.00 C ATOM 1365 O ILE A 85 15.508 0.359 2.405 1.00 0.00 O ATOM 1366 CB ILE A 85 17.057 3.024 2.698 1.00 0.00 C ATOM 1367 CG1 ILE A 85 17.118 4.530 2.431 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.410 2.516 3.182 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.170 5.333 3.296 1.00 0.00 C ATOM 0 H ILE A 85 14.555 2.662 1.539 1.00 0.00 H new ATOM 0 HA ILE A 85 17.354 2.400 0.648 1.00 0.00 H new ATOM 0 HB ILE A 85 16.322 2.841 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 85 18.136 4.880 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 85 16.886 4.715 1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.707 3.066 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.337 1.454 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 85 19.155 2.664 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.265 6.392 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.146 5.009 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.415 5.177 4.347 1.00 0.00 H new ATOM 1381 N GLU A 86 17.424 -0.009 1.293 1.00 0.00 N ATOM 1382 CA GLU A 86 17.445 -1.435 1.566 1.00 0.00 C ATOM 1383 C GLU A 86 18.886 -1.898 1.712 1.00 0.00 C ATOM 1384 O GLU A 86 19.767 -1.440 0.982 1.00 0.00 O ATOM 1385 CB GLU A 86 16.729 -2.220 0.463 1.00 0.00 C ATOM 1386 CG GLU A 86 17.275 -1.965 -0.932 1.00 0.00 C ATOM 1387 CD GLU A 86 16.620 -2.844 -1.975 1.00 0.00 C ATOM 1388 OE1 GLU A 86 16.728 -4.085 -1.865 1.00 0.00 O ATOM 1389 OE2 GLU A 86 15.986 -2.303 -2.902 1.00 0.00 O ATOM 0 H GLU A 86 18.198 0.319 0.715 1.00 0.00 H new ATOM 0 HA GLU A 86 16.911 -1.624 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.804 -3.285 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.669 -1.965 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.121 -0.918 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.351 -2.140 -0.936 1.00 0.00 H new ATOM 1672 N TYR A 107 15.586 -4.262 5.907 1.00 0.00 N ATOM 1673 CA TYR A 107 14.648 -4.744 4.905 1.00 0.00 C ATOM 1674 C TYR A 107 14.142 -3.613 4.014 1.00 0.00 C ATOM 1675 O TYR A 107 14.738 -3.323 2.977 1.00 0.00 O ATOM 1676 CB TYR A 107 13.477 -5.482 5.557 1.00 0.00 C ATOM 1677 CG TYR A 107 13.869 -6.807 6.175 1.00 0.00 C ATOM 1678 CD1 TYR A 107 14.388 -7.829 5.392 1.00 0.00 C ATOM 1679 CD2 TYR A 107 13.728 -7.034 7.538 1.00 0.00 C ATOM 1680 CE1 TYR A 107 14.754 -9.039 5.947 1.00 0.00 C ATOM 1681 CE2 TYR A 107 14.092 -8.244 8.101 1.00 0.00 C ATOM 1682 CZ TYR A 107 14.605 -9.242 7.300 1.00 0.00 C ATOM 1683 OH TYR A 107 14.974 -10.445 7.854 1.00 0.00 O ATOM 0 HA TYR A 107 15.187 -5.448 4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 107 13.040 -4.846 6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.704 -5.654 4.808 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.508 -7.675 4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.328 -6.254 8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 107 15.156 -9.823 5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.975 -8.406 9.162 1.00 0.00 H new ATOM 0 HH TYR A 107 14.806 -10.426 8.819 1.00 0.00 H new ATOM 1693 N LEU A 108 13.053 -2.973 4.419 1.00 0.00 N ATOM 1694 CA LEU A 108 12.476 -1.893 3.636 1.00 0.00 C ATOM 1695 C LEU A 108 12.235 -0.652 4.486 1.00 0.00 C ATOM 1696 O LEU A 108 11.491 -0.684 5.466 1.00 0.00 O ATOM 1697 CB LEU A 108 11.152 -2.338 2.997 1.00 0.00 C ATOM 1698 CG LEU A 108 11.247 -2.878 1.563 1.00 0.00 C ATOM 1699 CD1 LEU A 108 12.135 -1.989 0.708 1.00 0.00 C ATOM 1700 CD2 LEU A 108 11.755 -4.312 1.553 1.00 0.00 C ATOM 0 H LEU A 108 12.554 -3.184 5.283 1.00 0.00 H new ATOM 0 HA LEU A 108 13.192 -1.642 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.709 -3.110 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.466 -1.491 3.001 1.00 0.00 H new ATOM 0 HG LEU A 108 10.244 -2.871 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.187 -2.392 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.719 -0.982 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.137 -1.955 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.813 -4.670 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.745 -4.350 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.071 -4.944 2.120 1.00 0.00 H new ATOM 1712 N VAL A 109 12.876 0.438 4.100 1.00 0.00 N ATOM 1713 CA VAL A 109 12.718 1.710 4.784 1.00 0.00 C ATOM 1714 C VAL A 109 12.631 2.823 3.743 1.00 0.00 C ATOM 1715 O VAL A 109 13.334 2.792 2.733 1.00 0.00 O ATOM 1716 CB VAL A 109 13.869 1.976 5.796 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.205 1.513 5.246 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.938 3.446 6.183 1.00 0.00 C ATOM 0 H VAL A 109 13.518 0.467 3.308 1.00 0.00 H new ATOM 0 HA VAL A 109 11.798 1.681 5.368 1.00 0.00 H new ATOM 0 HB VAL A 109 13.649 1.397 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.988 1.713 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.163 0.443 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.424 2.050 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.753 3.598 6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.114 4.049 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.997 3.746 6.643 1.00 0.00 H new ATOM 1728 N VAL A 110 11.747 3.778 3.965 1.00 0.00 N ATOM 1729 CA VAL A 110 11.569 4.875 3.029 1.00 0.00 C ATOM 1730 C VAL A 110 11.897 6.208 3.694 1.00 0.00 C ATOM 1731 O VAL A 110 11.719 6.375 4.903 1.00 0.00 O ATOM 1732 CB VAL A 110 10.128 4.896 2.452 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.105 5.209 3.533 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.010 5.883 1.299 1.00 0.00 C ATOM 0 H VAL A 110 11.141 3.817 4.784 1.00 0.00 H new ATOM 0 HA VAL A 110 12.260 4.720 2.200 1.00 0.00 H new ATOM 0 HB VAL A 110 9.917 3.899 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.106 5.216 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.155 4.449 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.320 6.186 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.989 5.875 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.258 6.885 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.698 5.597 0.504 1.00 0.00 H new ATOM 1744 N ASN A 111 12.405 7.142 2.906 1.00 0.00 N ATOM 1745 CA ASN A 111 12.751 8.461 3.406 1.00 0.00 C ATOM 1746 C ASN A 111 11.536 9.373 3.333 1.00 0.00 C ATOM 1747 O ASN A 111 10.711 9.238 2.428 1.00 0.00 O ATOM 1748 CB ASN A 111 13.897 9.066 2.592 1.00 0.00 C ATOM 1749 CG ASN A 111 15.249 8.881 3.254 1.00 0.00 C ATOM 1750 OD1 ASN A 111 15.346 8.740 4.474 1.00 0.00 O ATOM 1751 ND2 ASN A 111 16.303 8.889 2.454 1.00 0.00 N ATOM 0 H ASN A 111 12.587 7.009 1.911 1.00 0.00 H new ATOM 0 HA ASN A 111 13.074 8.364 4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.916 8.608 1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.711 10.130 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.239 8.776 2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.179 9.008 1.449 1.00 0.00 H new ATOM 1758 N PRO A 112 11.403 10.311 4.284 1.00 0.00 N ATOM 1759 CA PRO A 112 10.280 11.257 4.318 1.00 0.00 C ATOM 1760 C PRO A 112 10.195 12.125 3.064 1.00 0.00 C ATOM 1761 O PRO A 112 9.160 12.723 2.788 1.00 0.00 O ATOM 1762 CB PRO A 112 10.576 12.130 5.542 1.00 0.00 C ATOM 1763 CG PRO A 112 11.492 11.312 6.384 1.00 0.00 C ATOM 1764 CD PRO A 112 12.316 10.505 5.424 1.00 0.00 C ATOM 0 HA PRO A 112 9.325 10.734 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.042 13.072 5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 112 9.661 12.379 6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.124 11.947 7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.931 10.665 7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.223 11.032 5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 112 12.626 9.555 5.859 1.00 0.00 H new ATOM 1772 N ASN A 113 11.279 12.171 2.296 1.00 0.00 N ATOM 1773 CA ASN A 113 11.326 12.972 1.071 1.00 0.00 C ATOM 1774 C ASN A 113 10.768 12.203 -0.120 1.00 0.00 C ATOM 1775 O ASN A 113 11.157 12.439 -1.264 1.00 0.00 O ATOM 1776 CB ASN A 113 12.756 13.422 0.779 1.00 0.00 C ATOM 1777 CG ASN A 113 13.104 14.717 1.485 1.00 0.00 C ATOM 1778 OD1 ASN A 113 13.006 15.799 0.911 1.00 0.00 O ATOM 1779 ND2 ASN A 113 13.504 14.614 2.741 1.00 0.00 N ATOM 0 H ASN A 113 12.140 11.663 2.498 1.00 0.00 H new ATOM 0 HA ASN A 113 10.701 13.851 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 113 13.451 12.642 1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.882 13.551 -0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.745 15.452 3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.572 13.696 3.181 1.00 0.00 H new ATOM 1786 N TYR A 114 9.864 11.279 0.163 1.00 0.00 N ATOM 1787 CA TYR A 114 9.218 10.476 -0.870 1.00 0.00 C ATOM 1788 C TYR A 114 8.389 11.368 -1.791 1.00 0.00 C ATOM 1789 O TYR A 114 7.664 12.250 -1.325 1.00 0.00 O ATOM 1790 CB TYR A 114 8.333 9.403 -0.221 1.00 0.00 C ATOM 1791 CG TYR A 114 7.507 8.595 -1.201 1.00 0.00 C ATOM 1792 CD1 TYR A 114 8.090 7.606 -1.983 1.00 0.00 C ATOM 1793 CD2 TYR A 114 6.141 8.816 -1.340 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.337 6.865 -2.875 1.00 0.00 C ATOM 1795 CE2 TYR A 114 5.381 8.077 -2.229 1.00 0.00 C ATOM 1796 CZ TYR A 114 5.985 7.105 -2.994 1.00 0.00 C ATOM 1797 OH TYR A 114 5.232 6.367 -3.881 1.00 0.00 O ATOM 0 H TYR A 114 9.556 11.063 1.111 1.00 0.00 H new ATOM 0 HA TYR A 114 9.985 9.983 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 114 8.966 8.723 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.662 9.885 0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 114 9.149 7.413 -1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.664 9.579 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 114 7.807 6.101 -3.476 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.321 8.261 -2.322 1.00 0.00 H new ATOM 0 HH TYR A 114 4.298 6.661 -3.841 1.00 0.00 H new ATOM 1807 N LEU A 115 8.508 11.140 -3.094 1.00 0.00 N ATOM 1808 CA LEU A 115 7.779 11.926 -4.080 1.00 0.00 C ATOM 1809 C LEU A 115 6.777 11.061 -4.842 1.00 0.00 C ATOM 1810 O LEU A 115 6.774 9.836 -4.712 1.00 0.00 O ATOM 1811 CB LEU A 115 8.735 12.648 -5.063 1.00 0.00 C ATOM 1812 CG LEU A 115 9.958 11.869 -5.614 1.00 0.00 C ATOM 1813 CD1 LEU A 115 11.054 11.735 -4.564 1.00 0.00 C ATOM 1814 CD2 LEU A 115 9.565 10.499 -6.153 1.00 0.00 C ATOM 0 H LEU A 115 9.105 10.415 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 115 7.227 12.691 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.143 12.982 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.109 13.542 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 115 10.352 12.453 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.895 11.184 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.387 12.726 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.665 11.199 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.451 9.988 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.117 9.908 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.845 10.619 -6.963 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.007 -10.126 -2.624 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.428 -9.826 -2.667 1.00 0.00 C ATOM 2022 C LEU B 390 -7.267 -11.065 -2.373 1.00 0.00 C ATOM 2023 O LEU B 390 -8.494 -10.994 -2.357 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.817 -9.193 -4.003 1.00 0.00 C ATOM 2025 CG LEU B 390 -6.650 -7.669 -4.049 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -5.715 -7.267 -5.179 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.998 -6.981 -4.202 1.00 0.00 C ATOM 0 HA LEU B 390 -6.637 -9.098 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -6.212 -9.638 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -7.856 -9.440 -4.220 1.00 0.00 H new ATOM 0 HG LEU B 390 -6.209 -7.348 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -5.609 -6.182 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -4.738 -7.725 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.127 -7.606 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -7.854 -5.901 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -8.471 -7.310 -5.127 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -8.636 -7.238 -3.356 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.604 -12.207 -2.181 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.295 -13.463 -1.868 1.00 0.00 C ATOM 2041 C GLU B 391 -8.230 -13.283 -0.672 1.00 0.00 C ATOM 2042 O GLU B 391 -9.249 -13.962 -0.553 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.282 -14.579 -1.579 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.310 -14.262 -0.449 1.00 0.00 C ATOM 2045 CD GLU B 391 -5.725 -14.853 0.882 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -5.975 -16.074 0.941 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -5.795 -14.102 1.876 1.00 0.00 O ATOM 0 H GLU B 391 -5.589 -12.290 -2.236 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.890 -13.746 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -6.824 -15.492 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -5.713 -14.782 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -4.322 -14.638 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -5.223 -13.180 -0.347 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.871 -12.361 0.210 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.676 -12.071 1.387 1.00 0.00 C ATOM 2056 C ARG B 392 -9.821 -11.134 1.019 1.00 0.00 C ATOM 2057 O ARG B 392 -10.919 -11.224 1.565 1.00 0.00 O ATOM 2058 CB ARG B 392 -7.803 -11.442 2.475 1.00 0.00 C ATOM 2059 CG ARG B 392 -8.571 -11.003 3.710 1.00 0.00 C ATOM 2060 CD ARG B 392 -7.663 -10.899 4.927 1.00 0.00 C ATOM 2061 NE ARG B 392 -6.535 -9.986 4.712 1.00 0.00 N ATOM 2062 CZ ARG B 392 -6.008 -9.215 5.671 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -6.525 -9.220 6.893 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -4.959 -8.442 5.404 1.00 0.00 N ATOM 0 H ARG B 392 -7.023 -11.799 0.132 1.00 0.00 H new ATOM 0 HA ARG B 392 -9.096 -13.002 1.769 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -7.038 -12.160 2.772 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -7.285 -10.579 2.056 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -9.041 -10.038 3.523 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -9.372 -11.714 3.913 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -8.245 -10.556 5.782 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -7.282 -11.889 5.177 1.00 0.00 H new ATOM 0 HE ARG B 392 -6.129 -9.936 3.778 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -7.327 -9.813 7.105 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -6.120 -8.631 7.621 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -4.555 -8.436 4.467 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -4.559 -7.855 6.136 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.556 -10.257 0.060 1.00 0.00 N ATOM 2079 CA ILE B 393 -10.541 -9.287 -0.400 1.00 0.00 C ATOM 2080 C ILE B 393 -11.713 -9.984 -1.079 1.00 0.00 C ATOM 2081 O ILE B 393 -12.871 -9.675 -0.812 1.00 0.00 O ATOM 2082 CB ILE B 393 -9.932 -8.280 -1.398 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -8.591 -7.743 -0.880 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -10.910 -7.141 -1.665 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -8.701 -6.862 0.343 1.00 0.00 C ATOM 0 H ILE B 393 -8.657 -10.198 -0.419 1.00 0.00 H new ATOM 0 HA ILE B 393 -10.884 -8.751 0.485 1.00 0.00 H new ATOM 0 HB ILE B 393 -9.743 -8.797 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -7.941 -8.587 -0.648 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -8.107 -7.178 -1.677 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -10.467 -6.439 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -11.832 -7.544 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -11.132 -6.625 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -7.707 -6.527 0.641 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.322 -5.996 0.113 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -9.153 -7.426 1.159 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.402 -10.940 -1.953 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.433 -11.677 -2.679 1.00 0.00 C ATOM 2099 C ARG B 394 -13.328 -12.459 -1.718 1.00 0.00 C ATOM 2100 O ARG B 394 -14.500 -12.694 -2.005 1.00 0.00 O ATOM 2101 CB ARG B 394 -11.809 -12.611 -3.727 1.00 0.00 C ATOM 2102 CG ARG B 394 -10.998 -13.754 -3.142 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.439 -14.659 -4.227 1.00 0.00 C ATOM 2104 NE ARG B 394 -9.406 -13.993 -5.018 1.00 0.00 N ATOM 2105 CZ ARG B 394 -8.171 -14.464 -5.189 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -7.801 -15.604 -4.615 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -7.307 -13.787 -5.935 1.00 0.00 N ATOM 0 H ARG B 394 -10.447 -11.221 -2.175 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.055 -10.951 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -12.604 -13.025 -4.347 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -11.167 -12.024 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.179 -13.351 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -11.625 -14.338 -2.468 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -10.023 -15.557 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -11.248 -14.980 -4.884 1.00 0.00 H new ATOM 0 HE ARG B 394 -9.646 -13.110 -5.469 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -8.464 -16.124 -4.040 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -6.854 -15.959 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -7.589 -12.911 -6.374 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -6.361 -14.143 -6.069 1.00 0.00 H new ATOM 2121 N ALA B 395 -12.775 -12.848 -0.575 1.00 0.00 N ATOM 2122 CA ALA B 395 -13.533 -13.582 0.427 1.00 0.00 C ATOM 2123 C ALA B 395 -14.366 -12.609 1.255 1.00 0.00 C ATOM 2124 O ALA B 395 -15.426 -12.952 1.783 1.00 0.00 O ATOM 2125 CB ALA B 395 -12.599 -14.385 1.318 1.00 0.00 C ATOM 0 H ALA B 395 -11.804 -12.667 -0.321 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.203 -14.281 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -13.183 -14.928 2.062 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -12.036 -15.094 0.710 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -11.907 -13.710 1.822 1.00 0.00 H new ATOM 2131 N LYS B 396 -13.869 -11.384 1.351 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.531 -10.324 2.093 1.00 0.00 C ATOM 2133 C LYS B 396 -15.676 -9.727 1.272 1.00 0.00 C ATOM 2134 O LYS B 396 -16.593 -9.123 1.827 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.497 -9.248 2.464 1.00 0.00 C ATOM 2136 CG LYS B 396 -14.095 -7.937 2.945 1.00 0.00 C ATOM 2137 CD LYS B 396 -14.146 -6.902 1.826 1.00 0.00 C ATOM 2138 CE LYS B 396 -15.006 -5.710 2.209 1.00 0.00 C ATOM 2139 NZ LYS B 396 -14.356 -4.857 3.236 1.00 0.00 N ATOM 0 H LYS B 396 -12.993 -11.098 0.915 1.00 0.00 H new ATOM 0 HA LYS B 396 -14.962 -10.733 3.007 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -12.845 -9.643 3.243 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -12.871 -9.049 1.594 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.101 -8.113 3.326 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -13.504 -7.549 3.774 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -13.136 -6.564 1.595 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.543 -7.362 0.921 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -15.213 -5.113 1.321 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -15.966 -6.063 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -15.045 -4.622 3.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -13.555 -5.369 3.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -14.013 -3.981 2.793 1.00 0.00 H new