USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 541 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 16 MET CE :methyl -160:sc= -0.139 (180deg=-0.561) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.136 F(o=-0.92,f=-0.14) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0354 F(o=-0.76,f=-0.035) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= 0.531 F(o=-1.3,f=0.53) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -15:sc= -1.93 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 58 THR OG1 : rot -10:sc= 0.918 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.216 (180deg=-0.699) USER MOD Single : A 65 GLN : amide:sc= -4.57! C(o=-4.6!,f=-4.3!) USER MOD Single : A 66 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-2.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 7 -8.593 -5.704 4.464 1.00 1.00 N ATOM 89 CA VAL A 7 -8.663 -4.318 4.944 1.00 1.00 C ATOM 90 C VAL A 7 -9.340 -3.433 3.905 1.00 1.00 C ATOM 91 O VAL A 7 -9.585 -3.860 2.778 1.00 1.00 O ATOM 92 CB VAL A 7 -7.248 -3.797 5.235 1.00 1.00 C ATOM 93 CG1 VAL A 7 -6.677 -4.526 6.453 1.00 1.00 C ATOM 94 CG2 VAL A 7 -6.346 -4.054 4.026 1.00 1.00 C ATOM 0 HA VAL A 7 -9.251 -4.291 5.862 1.00 1.00 H new ATOM 0 HB VAL A 7 -7.293 -2.726 5.435 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -5.673 -4.157 6.660 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -7.316 -4.345 7.318 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -6.635 -5.596 6.250 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -5.343 -3.683 4.235 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -6.303 -5.124 3.825 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -6.749 -3.538 3.155 1.00 1.00 H new ATOM 104 N TYR A 8 -9.659 -2.198 4.304 1.00 1.00 N ATOM 105 CA TYR A 8 -10.333 -1.236 3.418 1.00 1.00 C ATOM 106 C TYR A 8 -9.660 0.134 3.491 1.00 1.00 C ATOM 107 O TYR A 8 -9.272 0.591 4.566 1.00 1.00 O ATOM 108 CB TYR A 8 -11.794 -1.104 3.844 1.00 1.00 C ATOM 109 CG TYR A 8 -12.479 -2.453 3.710 1.00 1.00 C ATOM 110 CD1 TYR A 8 -12.418 -3.377 4.765 1.00 1.00 C ATOM 111 CD2 TYR A 8 -13.169 -2.780 2.535 1.00 1.00 C ATOM 112 CE1 TYR A 8 -13.050 -4.623 4.644 1.00 1.00 C ATOM 113 CE2 TYR A 8 -13.799 -4.025 2.415 1.00 1.00 C ATOM 114 CZ TYR A 8 -13.740 -4.945 3.470 1.00 1.00 C ATOM 115 OH TYR A 8 -14.365 -6.170 3.349 1.00 1.00 O ATOM 0 H TYR A 8 -9.462 -1.837 5.237 1.00 1.00 H new ATOM 0 HA TYR A 8 -10.269 -1.599 2.392 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -11.854 -0.753 4.874 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -12.300 -0.363 3.225 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -11.884 -3.128 5.670 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -13.215 -2.071 1.721 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -13.004 -5.333 5.456 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -14.330 -4.276 1.509 1.00 1.00 H new ATOM 0 HH TYR A 8 -14.798 -6.231 2.472 1.00 1.00 H new ATOM 125 N VAL A 9 -9.531 0.785 2.333 1.00 1.00 N ATOM 126 CA VAL A 9 -8.905 2.110 2.263 1.00 1.00 C ATOM 127 C VAL A 9 -9.853 3.163 2.811 1.00 1.00 C ATOM 128 O VAL A 9 -10.998 3.256 2.372 1.00 1.00 O ATOM 129 CB VAL A 9 -8.572 2.439 0.795 1.00 1.00 C ATOM 130 CG1 VAL A 9 -8.103 3.906 0.649 1.00 1.00 C ATOM 131 CG2 VAL A 9 -7.473 1.490 0.306 1.00 1.00 C ATOM 0 H VAL A 9 -9.849 0.420 1.435 1.00 1.00 H new ATOM 0 HA VAL A 9 -7.992 2.106 2.858 1.00 1.00 H new ATOM 0 HB VAL A 9 -9.471 2.310 0.192 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -7.874 4.113 -0.397 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -8.894 4.576 0.987 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.210 4.064 1.254 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -7.232 1.717 -0.733 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -6.582 1.617 0.921 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -7.822 0.460 0.381 1.00 1.00 H new ATOM 141 N MET A 10 -9.392 3.950 3.790 1.00 1.00 N ATOM 142 CA MET A 10 -10.230 4.981 4.403 1.00 1.00 C ATOM 143 C MET A 10 -10.193 6.276 3.587 1.00 1.00 C ATOM 144 O MET A 10 -11.216 6.708 3.057 1.00 1.00 O ATOM 145 CB MET A 10 -9.728 5.259 5.840 1.00 1.00 C ATOM 146 CG MET A 10 -9.260 3.951 6.489 1.00 1.00 C ATOM 147 SD MET A 10 -8.884 4.245 8.232 1.00 1.00 S ATOM 148 CE MET A 10 -8.294 2.578 8.615 1.00 1.00 C ATOM 0 H MET A 10 -8.448 3.892 4.172 1.00 1.00 H new ATOM 0 HA MET A 10 -11.259 4.623 4.429 1.00 1.00 H new ATOM 0 HB2 MET A 10 -8.909 5.977 5.816 1.00 1.00 H new ATOM 0 HB3 MET A 10 -10.526 5.705 6.434 1.00 1.00 H new ATOM 0 HG2 MET A 10 -10.034 3.189 6.396 1.00 1.00 H new ATOM 0 HG3 MET A 10 -8.377 3.573 5.974 1.00 1.00 H new ATOM 0 HE1 MET A 10 -8.001 2.528 9.664 1.00 1.00 H new ATOM 0 HE2 MET A 10 -9.090 1.858 8.426 1.00 1.00 H new ATOM 0 HE3 MET A 10 -7.435 2.343 7.987 1.00 1.00 H new ATOM 158 N SER A 11 -9.004 6.905 3.509 1.00 1.00 N ATOM 159 CA SER A 11 -8.848 8.174 2.771 1.00 1.00 C ATOM 160 C SER A 11 -7.779 8.054 1.689 1.00 1.00 C ATOM 161 O SER A 11 -6.811 7.306 1.827 1.00 1.00 O ATOM 162 CB SER A 11 -8.461 9.286 3.751 1.00 1.00 C ATOM 163 OG SER A 11 -9.476 9.408 4.740 1.00 1.00 O ATOM 0 H SER A 11 -8.147 6.561 3.942 1.00 1.00 H new ATOM 0 HA SER A 11 -9.796 8.412 2.289 1.00 1.00 H new ATOM 0 HB2 SER A 11 -7.504 9.058 4.220 1.00 1.00 H new ATOM 0 HB3 SER A 11 -8.338 10.230 3.220 1.00 1.00 H new ATOM 0 HG SER A 11 -9.234 10.117 5.372 1.00 1.00 H new ATOM 169 N VAL A 12 -7.964 8.823 0.608 1.00 1.00 N ATOM 170 CA VAL A 12 -7.028 8.848 -0.522 1.00 1.00 C ATOM 171 C VAL A 12 -6.623 10.287 -0.786 1.00 1.00 C ATOM 172 O VAL A 12 -7.470 11.179 -0.825 1.00 1.00 O ATOM 173 CB VAL A 12 -7.688 8.261 -1.776 1.00 1.00 C ATOM 174 CG1 VAL A 12 -6.695 8.285 -2.950 1.00 1.00 C ATOM 175 CG2 VAL A 12 -8.113 6.817 -1.491 1.00 1.00 C ATOM 0 H VAL A 12 -8.765 9.444 0.493 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.151 8.248 -0.280 1.00 1.00 H new ATOM 0 HB VAL A 12 -8.562 8.857 -2.039 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -7.170 7.867 -3.837 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -6.393 9.313 -3.150 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -5.816 7.692 -2.696 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -8.583 6.394 -2.379 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -7.237 6.225 -1.228 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -8.822 6.803 -0.664 1.00 1.00 H new ATOM 185 N LEU A 13 -5.322 10.511 -0.959 1.00 1.00 N ATOM 186 CA LEU A 13 -4.814 11.861 -1.204 1.00 1.00 C ATOM 187 C LEU A 13 -4.697 12.135 -2.713 1.00 1.00 C ATOM 188 O LEU A 13 -4.486 11.212 -3.495 1.00 1.00 O ATOM 189 CB LEU A 13 -3.450 12.039 -0.507 1.00 1.00 C ATOM 190 CG LEU A 13 -3.642 12.494 0.945 1.00 1.00 C ATOM 191 CD1 LEU A 13 -4.470 11.448 1.704 1.00 1.00 C ATOM 192 CD2 LEU A 13 -2.271 12.657 1.605 1.00 1.00 C ATOM 0 H LEU A 13 -4.606 9.785 -0.935 1.00 1.00 H new ATOM 0 HA LEU A 13 -5.518 12.583 -0.789 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.898 11.099 -0.529 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -2.852 12.773 -1.048 1.00 1.00 H new ATOM 0 HG LEU A 13 -4.169 13.448 0.968 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -4.607 11.771 2.736 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -5.444 11.338 1.226 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -3.949 10.491 1.689 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -2.401 12.980 2.638 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -1.743 11.704 1.587 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.692 13.403 1.061 1.00 1.00 H new ATOM 204 N PRO A 14 -4.839 13.383 -3.131 1.00 1.00 N ATOM 205 CA PRO A 14 -4.749 13.764 -4.576 1.00 1.00 C ATOM 206 C PRO A 14 -3.319 13.694 -5.120 1.00 1.00 C ATOM 207 O PRO A 14 -3.117 13.501 -6.318 1.00 1.00 O ATOM 208 CB PRO A 14 -5.284 15.213 -4.593 1.00 1.00 C ATOM 209 CG PRO A 14 -4.961 15.755 -3.232 1.00 1.00 C ATOM 210 CD PRO A 14 -5.105 14.566 -2.276 1.00 1.00 C ATOM 0 HA PRO A 14 -5.312 13.083 -5.215 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -4.807 15.802 -5.377 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -6.357 15.237 -4.784 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -3.951 16.164 -3.201 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -5.640 16.563 -2.959 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -4.396 14.629 -1.451 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -6.102 14.525 -1.837 1.00 1.00 H new ATOM 218 N ASN A 15 -2.330 13.885 -4.242 1.00 1.00 N ATOM 219 CA ASN A 15 -0.915 13.877 -4.652 1.00 1.00 C ATOM 220 C ASN A 15 -0.170 12.687 -4.082 1.00 1.00 C ATOM 221 O ASN A 15 0.977 12.830 -3.652 1.00 1.00 O ATOM 222 CB ASN A 15 -0.240 15.164 -4.180 1.00 1.00 C ATOM 223 CG ASN A 15 -0.908 16.358 -4.846 1.00 1.00 C ATOM 224 OD1 ASN A 15 -1.413 17.250 -4.163 1.00 1.00 O ATOM 225 ND2 ASN A 15 -0.946 16.428 -6.151 1.00 1.00 N ATOM 0 H ASN A 15 -2.478 14.047 -3.246 1.00 1.00 H new ATOM 0 HA ASN A 15 -0.884 13.807 -5.739 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -0.314 15.250 -3.096 1.00 1.00 H new ATOM 0 HB3 ASN A 15 0.822 15.143 -4.427 1.00 1.00 H new ATOM 0 HD21 ASN A 15 -1.395 17.223 -6.606 1.00 1.00 H new ATOM 0 HD22 ASN A 15 -0.527 15.688 -6.714 1.00 1.00 H new ATOM 232 N MET A 16 -0.822 11.513 -4.061 1.00 1.00 N ATOM 233 CA MET A 16 -0.196 10.292 -3.526 1.00 1.00 C ATOM 234 C MET A 16 0.042 9.265 -4.647 1.00 1.00 C ATOM 235 O MET A 16 -0.543 9.376 -5.726 1.00 1.00 O ATOM 236 CB MET A 16 -1.077 9.688 -2.394 1.00 1.00 C ATOM 237 CG MET A 16 -0.474 10.040 -1.024 1.00 1.00 C ATOM 238 SD MET A 16 -0.301 11.839 -0.905 1.00 1.00 S ATOM 239 CE MET A 16 0.807 11.884 0.522 1.00 1.00 C ATOM 0 H MET A 16 -1.774 11.383 -4.405 1.00 1.00 H new ATOM 0 HA MET A 16 0.774 10.555 -3.103 1.00 1.00 H new ATOM 0 HB2 MET A 16 -2.093 10.075 -2.465 1.00 1.00 H new ATOM 0 HB3 MET A 16 -1.140 8.606 -2.507 1.00 1.00 H new ATOM 0 HG2 MET A 16 -1.114 9.669 -0.224 1.00 1.00 H new ATOM 0 HG3 MET A 16 0.497 9.559 -0.904 1.00 1.00 H new ATOM 0 HE1 MET A 16 0.765 12.870 0.985 1.00 1.00 H new ATOM 0 HE2 MET A 16 0.498 11.130 1.246 1.00 1.00 H new ATOM 0 HE3 MET A 16 1.827 11.679 0.197 1.00 1.00 H new ATOM 249 N PRO A 17 0.899 8.284 -4.414 1.00 1.00 N ATOM 250 CA PRO A 17 1.218 7.242 -5.439 1.00 1.00 C ATOM 251 C PRO A 17 -0.015 6.430 -5.874 1.00 1.00 C ATOM 252 O PRO A 17 -0.105 5.997 -7.022 1.00 1.00 O ATOM 253 CB PRO A 17 2.258 6.328 -4.738 1.00 1.00 C ATOM 254 CG PRO A 17 2.804 7.146 -3.603 1.00 1.00 C ATOM 255 CD PRO A 17 1.652 8.047 -3.159 1.00 1.00 C ATOM 0 HA PRO A 17 1.589 7.694 -6.359 1.00 1.00 H new ATOM 0 HB2 PRO A 17 1.794 5.411 -4.374 1.00 1.00 H new ATOM 0 HB3 PRO A 17 3.050 6.033 -5.427 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.141 6.508 -2.786 1.00 1.00 H new ATOM 0 HG3 PRO A 17 3.663 7.736 -3.922 1.00 1.00 H new ATOM 0 HD2 PRO A 17 1.032 7.564 -2.403 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.015 8.979 -2.726 1.00 1.00 H new ATOM 263 N ALA A 18 -0.949 6.202 -4.943 1.00 1.00 N ATOM 264 CA ALA A 18 -2.150 5.404 -5.230 1.00 1.00 C ATOM 265 C ALA A 18 -3.259 6.257 -5.856 1.00 1.00 C ATOM 266 O ALA A 18 -4.255 5.729 -6.353 1.00 1.00 O ATOM 267 CB ALA A 18 -2.639 4.757 -3.913 1.00 1.00 C ATOM 0 H ALA A 18 -0.898 6.557 -3.988 1.00 1.00 H new ATOM 0 HA ALA A 18 -1.897 4.630 -5.955 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -3.530 4.161 -4.109 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.855 4.116 -3.510 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -2.877 5.538 -3.190 1.00 1.00 H new ATOM 273 N ALA A 19 -3.080 7.570 -5.822 1.00 1.00 N ATOM 274 CA ALA A 19 -4.075 8.478 -6.381 1.00 1.00 C ATOM 275 C ALA A 19 -4.157 8.320 -7.898 1.00 1.00 C ATOM 276 O ALA A 19 -3.136 8.253 -8.582 1.00 1.00 O ATOM 277 CB ALA A 19 -3.725 9.936 -6.014 1.00 1.00 C ATOM 0 H ALA A 19 -2.263 8.028 -5.418 1.00 1.00 H new ATOM 0 HA ALA A 19 -5.048 8.229 -5.958 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -4.473 10.607 -6.436 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -3.710 10.045 -4.930 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.744 10.187 -6.417 1.00 1.00 H new ATOM 283 N GLY A 20 -5.380 8.266 -8.414 1.00 1.00 N ATOM 284 CA GLY A 20 -5.602 8.124 -9.856 1.00 1.00 C ATOM 285 C GLY A 20 -5.629 6.657 -10.261 1.00 1.00 C ATOM 286 O GLY A 20 -6.090 6.316 -11.352 1.00 1.00 O ATOM 0 H GLY A 20 -6.235 8.318 -7.859 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.544 8.598 -10.131 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -4.813 8.641 -10.402 1.00 1.00 H new ATOM 290 N ARG A 21 -5.127 5.789 -9.376 1.00 1.00 N ATOM 291 CA ARG A 21 -5.085 4.341 -9.636 1.00 1.00 C ATOM 292 C ARG A 21 -5.948 3.597 -8.626 1.00 1.00 C ATOM 293 O ARG A 21 -6.552 2.574 -8.953 1.00 1.00 O ATOM 294 CB ARG A 21 -3.644 3.835 -9.529 1.00 1.00 C ATOM 295 CG ARG A 21 -2.806 4.425 -10.660 1.00 1.00 C ATOM 296 CD ARG A 21 -1.364 3.937 -10.524 1.00 1.00 C ATOM 297 NE ARG A 21 -0.535 4.491 -11.592 1.00 1.00 N ATOM 298 CZ ARG A 21 0.790 4.338 -11.592 1.00 1.00 C ATOM 299 NH1 ARG A 21 1.373 3.689 -10.617 1.00 1.00 N ATOM 300 NH2 ARG A 21 1.506 4.840 -12.567 1.00 1.00 N ATOM 0 H ARG A 21 -4.743 6.062 -8.471 1.00 1.00 H new ATOM 0 HA ARG A 21 -5.467 4.159 -10.641 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -3.220 4.116 -8.565 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -3.626 2.746 -9.580 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -3.214 4.126 -11.625 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -2.839 5.514 -10.623 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -0.964 4.232 -9.554 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.337 2.848 -10.562 1.00 1.00 H new ATOM 0 HE ARG A 21 -0.979 5.005 -12.353 1.00 1.00 H new ATOM 0 HH11 ARG A 21 0.814 3.300 -9.857 1.00 1.00 H new ATOM 0 HH12 ARG A 21 2.386 3.572 -10.617 1.00 1.00 H new ATOM 0 HH21 ARG A 21 1.050 5.347 -13.325 1.00 1.00 H new ATOM 0 HH22 ARG A 21 2.519 4.724 -12.568 1.00 1.00 H new ATOM 314 N LEU A 22 -5.996 4.116 -7.392 1.00 1.00 N ATOM 315 CA LEU A 22 -6.782 3.501 -6.318 1.00 1.00 C ATOM 316 C LEU A 22 -7.792 4.500 -5.763 1.00 1.00 C ATOM 317 O LEU A 22 -7.576 5.713 -5.817 1.00 1.00 O ATOM 318 CB LEU A 22 -5.836 3.026 -5.199 1.00 1.00 C ATOM 319 CG LEU A 22 -6.524 1.953 -4.329 1.00 1.00 C ATOM 320 CD1 LEU A 22 -6.810 0.650 -5.144 1.00 1.00 C ATOM 321 CD2 LEU A 22 -5.623 1.652 -3.126 1.00 1.00 C ATOM 0 H LEU A 22 -5.498 4.962 -7.114 1.00 1.00 H new ATOM 0 HA LEU A 22 -7.327 2.646 -6.717 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -4.923 2.619 -5.635 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -5.543 3.873 -4.578 1.00 1.00 H new ATOM 0 HG LEU A 22 -7.488 2.332 -3.989 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -7.295 -0.083 -4.499 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -7.464 0.883 -5.985 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -5.871 0.241 -5.517 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -6.094 0.895 -2.499 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -4.659 1.284 -3.477 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -5.475 2.563 -2.546 1.00 1.00 H new ATOM 333 N GLU A 23 -8.900 3.981 -5.230 1.00 1.00 N ATOM 334 CA GLU A 23 -9.958 4.820 -4.670 1.00 1.00 C ATOM 335 C GLU A 23 -10.511 4.219 -3.382 1.00 1.00 C ATOM 336 O GLU A 23 -10.470 3.009 -3.166 1.00 1.00 O ATOM 337 CB GLU A 23 -11.090 4.971 -5.706 1.00 1.00 C ATOM 338 CG GLU A 23 -10.683 5.981 -6.796 1.00 1.00 C ATOM 339 CD GLU A 23 -10.649 7.400 -6.231 1.00 1.00 C ATOM 340 OE1 GLU A 23 -11.312 7.636 -5.235 1.00 1.00 O ATOM 341 OE2 GLU A 23 -9.969 8.232 -6.810 1.00 1.00 O ATOM 0 H GLU A 23 -9.087 2.980 -5.175 1.00 1.00 H new ATOM 0 HA GLU A 23 -9.539 5.798 -4.433 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -11.309 4.004 -6.159 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -12.002 5.306 -5.212 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -9.703 5.719 -7.194 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -11.388 5.931 -7.626 1.00 1.00 H new ATOM 348 N ALA A 24 -11.045 5.096 -2.549 1.00 1.00 N ATOM 349 CA ALA A 24 -11.625 4.692 -1.281 1.00 1.00 C ATOM 350 C ALA A 24 -12.718 3.668 -1.532 1.00 1.00 C ATOM 351 O ALA A 24 -13.488 3.789 -2.485 1.00 1.00 O ATOM 352 CB ALA A 24 -12.209 5.905 -0.552 1.00 1.00 C ATOM 0 H ALA A 24 -11.089 6.099 -2.731 1.00 1.00 H new ATOM 0 HA ALA A 24 -10.847 4.252 -0.657 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -12.640 5.586 0.397 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -11.419 6.632 -0.365 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -12.984 6.361 -1.168 1.00 1.00 H new ATOM 358 N GLY A 25 -12.766 2.644 -0.684 1.00 1.00 N ATOM 359 CA GLY A 25 -13.752 1.565 -0.812 1.00 1.00 C ATOM 360 C GLY A 25 -13.066 0.273 -1.235 1.00 1.00 C ATOM 361 O GLY A 25 -13.519 -0.818 -0.889 1.00 1.00 O ATOM 0 H GLY A 25 -12.130 2.535 0.106 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -14.266 1.418 0.138 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.510 1.840 -1.546 1.00 1.00 H new ATOM 365 N ASP A 26 -11.965 0.391 -1.978 1.00 1.00 N ATOM 366 CA ASP A 26 -11.243 -0.803 -2.420 1.00 1.00 C ATOM 367 C ASP A 26 -10.556 -1.497 -1.232 1.00 1.00 C ATOM 368 O ASP A 26 -10.155 -0.837 -0.273 1.00 1.00 O ATOM 369 CB ASP A 26 -10.189 -0.414 -3.473 1.00 1.00 C ATOM 370 CG ASP A 26 -8.942 0.160 -2.801 1.00 1.00 C ATOM 371 OD1 ASP A 26 -8.964 1.322 -2.453 1.00 1.00 O ATOM 372 OD2 ASP A 26 -7.999 -0.589 -2.612 1.00 1.00 O ATOM 0 H ASP A 26 -11.561 1.277 -2.281 1.00 1.00 H new ATOM 0 HA ASP A 26 -11.960 -1.497 -2.859 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.919 -1.288 -4.065 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -10.608 0.320 -4.161 1.00 1.00 H new ATOM 377 N ARG A 27 -10.415 -2.829 -1.310 1.00 1.00 N ATOM 378 CA ARG A 27 -9.761 -3.614 -0.250 1.00 1.00 C ATOM 379 C ARG A 27 -8.482 -4.256 -0.775 1.00 1.00 C ATOM 380 O ARG A 27 -8.311 -4.429 -1.980 1.00 1.00 O ATOM 381 CB ARG A 27 -10.713 -4.699 0.263 1.00 1.00 C ATOM 382 CG ARG A 27 -11.231 -5.540 -0.904 1.00 1.00 C ATOM 383 CD ARG A 27 -12.080 -6.695 -0.365 1.00 1.00 C ATOM 384 NE ARG A 27 -12.687 -7.428 -1.471 1.00 1.00 N ATOM 385 CZ ARG A 27 -13.332 -8.575 -1.270 1.00 1.00 C ATOM 386 NH1 ARG A 27 -13.424 -9.077 -0.064 1.00 1.00 N ATOM 387 NH2 ARG A 27 -13.873 -9.200 -2.284 1.00 1.00 N ATOM 0 H ARG A 27 -10.746 -3.387 -2.097 1.00 1.00 H new ATOM 0 HA ARG A 27 -9.506 -2.943 0.571 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -10.196 -5.337 0.980 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -11.550 -4.240 0.790 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -11.825 -4.921 -1.576 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -10.395 -5.930 -1.485 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -11.460 -7.366 0.230 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -12.856 -6.309 0.296 1.00 1.00 H new ATOM 0 HE ARG A 27 -12.616 -7.054 -2.417 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -13.001 -8.589 0.725 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -13.919 -9.956 0.086 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -13.799 -8.808 -3.223 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -14.368 -10.079 -2.136 1.00 1.00 H new ATOM 401 N ILE A 28 -7.586 -4.612 0.149 1.00 1.00 N ATOM 402 CA ILE A 28 -6.309 -5.243 -0.214 1.00 1.00 C ATOM 403 C ILE A 28 -6.395 -6.750 -0.008 1.00 1.00 C ATOM 404 O ILE A 28 -6.639 -7.229 1.100 1.00 1.00 O ATOM 405 CB ILE A 28 -5.171 -4.668 0.638 1.00 1.00 C ATOM 406 CG1 ILE A 28 -5.194 -3.125 0.571 1.00 1.00 C ATOM 407 CG2 ILE A 28 -3.822 -5.189 0.132 1.00 1.00 C ATOM 408 CD1 ILE A 28 -5.150 -2.611 -0.881 1.00 1.00 C ATOM 0 H ILE A 28 -7.718 -4.476 1.151 1.00 1.00 H new ATOM 0 HA ILE A 28 -6.104 -5.036 -1.264 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.308 -4.984 1.672 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -6.095 -2.754 1.060 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.344 -2.725 1.123 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -3.020 -4.775 0.743 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.804 -6.277 0.198 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.681 -4.886 -0.905 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.168 -1.521 -0.882 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.236 -2.959 -1.363 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -6.015 -2.989 -1.427 1.00 1.00 H new ATOM 420 N ALA A 29 -6.195 -7.492 -1.096 1.00 1.00 N ATOM 421 CA ALA A 29 -6.249 -8.957 -1.060 1.00 1.00 C ATOM 422 C ALA A 29 -4.856 -9.547 -0.849 1.00 1.00 C ATOM 423 O ALA A 29 -4.722 -10.678 -0.387 1.00 1.00 O ATOM 424 CB ALA A 29 -6.828 -9.479 -2.381 1.00 1.00 C ATOM 0 H ALA A 29 -5.993 -7.103 -2.017 1.00 1.00 H new ATOM 0 HA ALA A 29 -6.885 -9.260 -0.228 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -6.869 -10.568 -2.355 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -7.833 -9.082 -2.520 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -6.194 -9.159 -3.208 1.00 1.00 H new ATOM 430 N ALA A 30 -3.830 -8.767 -1.180 1.00 1.00 N ATOM 431 CA ALA A 30 -2.453 -9.228 -1.015 1.00 1.00 C ATOM 432 C ALA A 30 -1.451 -8.141 -1.386 1.00 1.00 C ATOM 433 O ALA A 30 -1.786 -7.174 -2.068 1.00 1.00 O ATOM 434 CB ALA A 30 -2.205 -10.475 -1.882 1.00 1.00 C ATOM 0 H ALA A 30 -3.923 -7.825 -1.559 1.00 1.00 H new ATOM 0 HA ALA A 30 -2.312 -9.478 0.037 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -1.176 -10.810 -1.752 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -2.887 -11.270 -1.579 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -2.376 -10.229 -2.930 1.00 1.00 H new ATOM 440 N ILE A 31 -0.201 -8.332 -0.942 1.00 1.00 N ATOM 441 CA ILE A 31 0.885 -7.390 -1.246 1.00 1.00 C ATOM 442 C ILE A 31 2.168 -8.140 -1.630 1.00 1.00 C ATOM 443 O ILE A 31 2.666 -8.989 -0.911 1.00 1.00 O ATOM 444 CB ILE A 31 1.148 -6.442 -0.051 1.00 1.00 C ATOM 445 CG1 ILE A 31 -0.094 -5.558 0.168 1.00 1.00 C ATOM 446 CG2 ILE A 31 2.382 -5.556 -0.333 1.00 1.00 C ATOM 447 CD1 ILE A 31 0.080 -4.710 1.427 1.00 1.00 C ATOM 0 H ILE A 31 0.083 -9.129 -0.372 1.00 1.00 H new ATOM 0 HA ILE A 31 0.573 -6.785 -2.098 1.00 1.00 H new ATOM 0 HB ILE A 31 1.344 -7.032 0.845 1.00 1.00 H new ATOM 0 HG12 ILE A 31 -0.247 -4.912 -0.697 1.00 1.00 H new ATOM 0 HG13 ILE A 31 -0.983 -6.182 0.261 1.00 1.00 H new ATOM 0 HG21 ILE A 31 2.556 -4.894 0.515 1.00 1.00 H new ATOM 0 HG22 ILE A 31 3.257 -6.188 -0.485 1.00 1.00 H new ATOM 0 HG23 ILE A 31 2.205 -4.960 -1.228 1.00 1.00 H new ATOM 0 HD11 ILE A 31 -0.804 -4.089 1.572 1.00 1.00 H new ATOM 0 HD12 ILE A 31 0.211 -5.363 2.290 1.00 1.00 H new ATOM 0 HD13 ILE A 31 0.957 -4.073 1.318 1.00 1.00 H new ATOM 459 N ASP A 32 2.717 -7.798 -2.772 1.00 1.00 N ATOM 460 CA ASP A 32 3.953 -8.433 -3.218 1.00 1.00 C ATOM 461 C ASP A 32 3.848 -9.964 -3.163 1.00 1.00 C ATOM 462 O ASP A 32 4.846 -10.666 -3.329 1.00 1.00 O ATOM 463 CB ASP A 32 5.109 -7.971 -2.323 1.00 1.00 C ATOM 464 CG ASP A 32 6.450 -8.415 -2.901 1.00 1.00 C ATOM 465 OD1 ASP A 32 6.635 -8.261 -4.097 1.00 1.00 O ATOM 466 OD2 ASP A 32 7.272 -8.898 -2.139 1.00 1.00 O ATOM 0 H ASP A 32 2.340 -7.095 -3.407 1.00 1.00 H new ATOM 0 HA ASP A 32 4.133 -8.142 -4.253 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.090 -6.885 -2.228 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.986 -8.381 -1.321 1.00 1.00 H new ATOM 471 N GLY A 33 2.623 -10.480 -2.957 1.00 1.00 N ATOM 472 CA GLY A 33 2.375 -11.929 -2.907 1.00 1.00 C ATOM 473 C GLY A 33 1.999 -12.405 -1.505 1.00 1.00 C ATOM 474 O GLY A 33 1.669 -13.571 -1.322 1.00 1.00 O ATOM 0 H GLY A 33 1.787 -9.911 -2.822 1.00 1.00 H new ATOM 0 HA2 GLY A 33 1.574 -12.182 -3.601 1.00 1.00 H new ATOM 0 HA3 GLY A 33 3.266 -12.460 -3.242 1.00 1.00 H new ATOM 478 N GLN A 34 2.074 -11.509 -0.513 1.00 1.00 N ATOM 479 CA GLN A 34 1.753 -11.874 0.880 1.00 1.00 C ATOM 480 C GLN A 34 0.276 -11.540 1.239 1.00 1.00 C ATOM 481 O GLN A 34 -0.089 -10.374 1.350 1.00 1.00 O ATOM 482 CB GLN A 34 2.717 -11.145 1.847 1.00 1.00 C ATOM 483 CG GLN A 34 2.382 -9.633 1.985 1.00 1.00 C ATOM 484 CD GLN A 34 3.651 -8.812 2.186 1.00 1.00 C ATOM 485 OE1 GLN A 34 4.610 -8.910 1.311 1.00 1.00 O flip ATOM 486 NE2 GLN A 34 3.770 -8.071 3.161 1.00 1.00 N flip ATOM 0 H GLN A 34 2.351 -10.536 -0.642 1.00 1.00 H new ATOM 0 HA GLN A 34 1.879 -12.952 0.983 1.00 1.00 H new ATOM 0 HB2 GLN A 34 2.669 -11.617 2.829 1.00 1.00 H new ATOM 0 HB3 GLN A 34 3.741 -11.257 1.489 1.00 1.00 H new ATOM 0 HG2 GLN A 34 1.859 -9.289 1.093 1.00 1.00 H new ATOM 0 HG3 GLN A 34 1.708 -9.481 2.828 1.00 1.00 H new ATOM 0 HE21 GLN A 34 3.014 -7.999 3.842 1.00 1.00 H new ATOM 0 HE22 GLN A 34 4.624 -7.528 3.288 1.00 1.00 H new ATOM 495 N PRO A 35 -0.592 -12.512 1.439 1.00 1.00 N ATOM 496 CA PRO A 35 -2.010 -12.221 1.823 1.00 1.00 C ATOM 497 C PRO A 35 -2.086 -11.397 3.124 1.00 1.00 C ATOM 498 O PRO A 35 -1.347 -11.660 4.076 1.00 1.00 O ATOM 499 CB PRO A 35 -2.637 -13.624 2.012 1.00 1.00 C ATOM 500 CG PRO A 35 -1.751 -14.557 1.239 1.00 1.00 C ATOM 501 CD PRO A 35 -0.347 -13.960 1.328 1.00 1.00 C ATOM 0 HA PRO A 35 -2.530 -11.624 1.074 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -2.675 -13.900 3.066 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -3.660 -13.652 1.638 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -1.777 -15.562 1.661 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -2.077 -14.638 0.202 1.00 1.00 H new ATOM 0 HD2 PRO A 35 0.197 -14.342 2.192 1.00 1.00 H new ATOM 0 HD3 PRO A 35 0.247 -14.200 0.446 1.00 1.00 H new ATOM 509 N ILE A 36 -2.952 -10.379 3.138 1.00 1.00 N ATOM 510 CA ILE A 36 -3.109 -9.491 4.299 1.00 1.00 C ATOM 511 C ILE A 36 -4.366 -9.830 5.094 1.00 1.00 C ATOM 512 O ILE A 36 -5.491 -9.703 4.608 1.00 1.00 O ATOM 513 CB ILE A 36 -3.196 -8.034 3.833 1.00 1.00 C ATOM 514 CG1 ILE A 36 -2.006 -7.703 2.910 1.00 1.00 C ATOM 515 CG2 ILE A 36 -3.198 -7.089 5.046 1.00 1.00 C ATOM 516 CD1 ILE A 36 -0.661 -8.054 3.572 1.00 1.00 C ATOM 0 H ILE A 36 -3.560 -10.147 2.353 1.00 1.00 H new ATOM 0 HA ILE A 36 -2.240 -9.631 4.942 1.00 1.00 H new ATOM 0 HB ILE A 36 -4.124 -7.897 3.278 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -2.106 -8.253 1.974 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -2.023 -6.642 2.659 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -3.260 -6.056 4.703 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -4.056 -7.313 5.680 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -2.279 -7.227 5.616 1.00 1.00 H new ATOM 0 HD11 ILE A 36 0.155 -7.807 2.892 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.550 -7.484 4.494 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -0.634 -9.120 3.799 1.00 1.00 H new ATOM 528 N ASN A 37 -4.132 -10.262 6.323 1.00 1.00 N ATOM 529 CA ASN A 37 -5.201 -10.640 7.256 1.00 1.00 C ATOM 530 C ASN A 37 -5.276 -9.659 8.430 1.00 1.00 C ATOM 531 O ASN A 37 -6.301 -9.575 9.103 1.00 1.00 O ATOM 532 CB ASN A 37 -4.953 -12.064 7.781 1.00 1.00 C ATOM 533 CG ASN A 37 -5.228 -13.094 6.690 1.00 1.00 C ATOM 534 OD1 ASN A 37 -6.272 -12.946 5.921 1.00 1.00 O flip ATOM 535 ND2 ASN A 37 -4.481 -14.059 6.542 1.00 1.00 N flip ATOM 0 H ASN A 37 -3.194 -10.364 6.710 1.00 1.00 H new ATOM 0 HA ASN A 37 -6.151 -10.608 6.722 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -3.923 -12.156 8.125 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -5.594 -12.257 8.641 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -3.666 -14.170 7.145 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.676 -14.748 5.816 1.00 1.00 H new ATOM 542 N THR A 38 -4.187 -8.915 8.679 1.00 1.00 N ATOM 543 CA THR A 38 -4.151 -7.939 9.783 1.00 1.00 C ATOM 544 C THR A 38 -3.536 -6.628 9.323 1.00 1.00 C ATOM 545 O THR A 38 -2.681 -6.604 8.437 1.00 1.00 O ATOM 546 CB THR A 38 -3.313 -8.480 10.945 1.00 1.00 C ATOM 547 OG1 THR A 38 -1.971 -8.664 10.512 1.00 1.00 O ATOM 548 CG2 THR A 38 -3.880 -9.810 11.424 1.00 1.00 C ATOM 0 H THR A 38 -3.325 -8.969 8.136 1.00 1.00 H new ATOM 0 HA THR A 38 -5.178 -7.770 10.107 1.00 1.00 H new ATOM 0 HB THR A 38 -3.340 -7.766 11.768 1.00 1.00 H new ATOM 0 HG1 THR A 38 -1.432 -9.009 11.254 1.00 1.00 H new ATOM 0 HG21 THR A 38 -3.277 -10.186 12.250 1.00 1.00 H new ATOM 0 HG22 THR A 38 -4.907 -9.668 11.760 1.00 1.00 H new ATOM 0 HG23 THR A 38 -3.862 -10.529 10.605 1.00 1.00 H new ATOM 556 N SER A 39 -3.956 -5.540 9.957 1.00 1.00 N ATOM 557 CA SER A 39 -3.425 -4.225 9.637 1.00 1.00 C ATOM 558 C SER A 39 -1.975 -4.134 10.100 1.00 1.00 C ATOM 559 O SER A 39 -1.165 -3.414 9.514 1.00 1.00 O ATOM 560 CB SER A 39 -4.257 -3.141 10.326 1.00 1.00 C ATOM 561 OG SER A 39 -4.251 -3.365 11.729 1.00 1.00 O ATOM 0 H SER A 39 -4.661 -5.544 10.694 1.00 1.00 H new ATOM 0 HA SER A 39 -3.472 -4.074 8.559 1.00 1.00 H new ATOM 0 HB2 SER A 39 -3.849 -2.156 10.102 1.00 1.00 H new ATOM 0 HB3 SER A 39 -5.279 -3.156 9.948 1.00 1.00 H new ATOM 0 HG SER A 39 -4.782 -2.671 12.173 1.00 1.00 H new ATOM 567 N GLU A 40 -1.665 -4.877 11.158 1.00 1.00 N ATOM 568 CA GLU A 40 -0.317 -4.892 11.710 1.00 1.00 C ATOM 569 C GLU A 40 0.664 -5.488 10.713 1.00 1.00 C ATOM 570 O GLU A 40 1.842 -5.128 10.700 1.00 1.00 O ATOM 571 CB GLU A 40 -0.284 -5.721 13.001 1.00 1.00 C ATOM 572 CG GLU A 40 -1.163 -5.069 14.072 1.00 1.00 C ATOM 573 CD GLU A 40 -0.565 -3.737 14.517 1.00 1.00 C ATOM 574 OE1 GLU A 40 0.614 -3.532 14.287 1.00 1.00 O ATOM 575 OE2 GLU A 40 -1.299 -2.939 15.078 1.00 1.00 O ATOM 0 H GLU A 40 -2.329 -5.476 11.649 1.00 1.00 H new ATOM 0 HA GLU A 40 -0.028 -3.863 11.926 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -0.634 -6.734 12.800 1.00 1.00 H new ATOM 0 HB3 GLU A 40 0.741 -5.804 13.362 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -2.167 -4.910 13.679 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -1.258 -5.736 14.929 1.00 1.00 H new ATOM 582 N GLN A 41 0.177 -6.394 9.872 1.00 1.00 N ATOM 583 CA GLN A 41 1.031 -7.021 8.880 1.00 1.00 C ATOM 584 C GLN A 41 1.550 -5.975 7.900 1.00 1.00 C ATOM 585 O GLN A 41 2.639 -6.125 7.341 1.00 1.00 O ATOM 586 CB GLN A 41 0.250 -8.102 8.127 1.00 1.00 C ATOM 587 CG GLN A 41 1.201 -8.915 7.244 1.00 1.00 C ATOM 588 CD GLN A 41 0.425 -10.011 6.519 1.00 1.00 C ATOM 589 OE1 GLN A 41 -0.725 -10.413 6.993 1.00 1.00 O flip ATOM 590 NE2 GLN A 41 0.880 -10.517 5.493 1.00 1.00 N flip ATOM 0 H GLN A 41 -0.794 -6.706 9.859 1.00 1.00 H new ATOM 0 HA GLN A 41 1.880 -7.483 9.385 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -0.253 -8.760 8.836 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -0.525 -7.642 7.514 1.00 1.00 H new ATOM 0 HG2 GLN A 41 1.687 -8.261 6.520 1.00 1.00 H new ATOM 0 HG3 GLN A 41 1.989 -9.357 7.854 1.00 1.00 H new ATOM 0 HE21 GLN A 41 1.777 -10.203 5.124 1.00 1.00 H new ATOM 0 HE22 GLN A 41 0.360 -11.251 5.012 1.00 1.00 H new ATOM 599 N ILE A 42 0.774 -4.907 7.695 1.00 1.00 N ATOM 600 CA ILE A 42 1.168 -3.830 6.791 1.00 1.00 C ATOM 601 C ILE A 42 2.236 -2.951 7.415 1.00 1.00 C ATOM 602 O ILE A 42 3.044 -2.369 6.704 1.00 1.00 O ATOM 603 CB ILE A 42 -0.055 -2.968 6.451 1.00 1.00 C ATOM 604 CG1 ILE A 42 -1.156 -3.855 5.832 1.00 1.00 C ATOM 605 CG2 ILE A 42 0.340 -1.851 5.474 1.00 1.00 C ATOM 606 CD1 ILE A 42 -0.666 -4.548 4.550 1.00 1.00 C ATOM 0 H ILE A 42 -0.131 -4.768 8.145 1.00 1.00 H new ATOM 0 HA ILE A 42 1.574 -4.282 5.886 1.00 1.00 H new ATOM 0 HB ILE A 42 -0.436 -2.510 7.364 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -1.469 -4.607 6.556 1.00 1.00 H new ATOM 0 HG13 ILE A 42 -2.031 -3.246 5.606 1.00 1.00 H new ATOM 0 HG21 ILE A 42 -0.536 -1.246 5.240 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.104 -1.222 5.930 1.00 1.00 H new ATOM 0 HG23 ILE A 42 0.732 -2.291 4.557 1.00 1.00 H new ATOM 0 HD11 ILE A 42 -1.467 -5.164 4.141 1.00 1.00 H new ATOM 0 HD12 ILE A 42 -0.377 -3.795 3.817 1.00 1.00 H new ATOM 0 HD13 ILE A 42 0.194 -5.177 4.782 1.00 1.00 H new ATOM 618 N VAL A 43 2.238 -2.867 8.741 1.00 1.00 N ATOM 619 CA VAL A 43 3.220 -2.061 9.464 1.00 1.00 C ATOM 620 C VAL A 43 4.601 -2.714 9.386 1.00 1.00 C ATOM 621 O VAL A 43 5.614 -2.037 9.215 1.00 1.00 O ATOM 622 CB VAL A 43 2.794 -1.933 10.928 1.00 1.00 C ATOM 623 CG1 VAL A 43 3.805 -1.078 11.703 1.00 1.00 C ATOM 624 CG2 VAL A 43 1.408 -1.284 10.998 1.00 1.00 C ATOM 0 H VAL A 43 1.568 -3.349 9.341 1.00 1.00 H new ATOM 0 HA VAL A 43 3.272 -1.072 9.009 1.00 1.00 H new ATOM 0 HB VAL A 43 2.758 -2.926 11.377 1.00 1.00 H new ATOM 0 HG11 VAL A 43 3.490 -0.995 12.743 1.00 1.00 H new ATOM 0 HG12 VAL A 43 4.788 -1.547 11.658 1.00 1.00 H new ATOM 0 HG13 VAL A 43 3.857 -0.084 11.259 1.00 1.00 H new ATOM 0 HG21 VAL A 43 1.102 -1.191 12.040 1.00 1.00 H new ATOM 0 HG22 VAL A 43 1.446 -0.295 10.542 1.00 1.00 H new ATOM 0 HG23 VAL A 43 0.689 -1.903 10.462 1.00 1.00 H new ATOM 634 N SER A 44 4.648 -4.036 9.517 1.00 1.00 N ATOM 635 CA SER A 44 5.918 -4.742 9.441 1.00 1.00 C ATOM 636 C SER A 44 6.445 -4.695 8.009 1.00 1.00 C ATOM 637 O SER A 44 7.636 -4.534 7.776 1.00 1.00 O ATOM 638 CB SER A 44 5.730 -6.195 9.881 1.00 1.00 C ATOM 639 OG SER A 44 5.189 -6.223 11.195 1.00 1.00 O ATOM 0 H SER A 44 3.834 -4.631 9.674 1.00 1.00 H new ATOM 0 HA SER A 44 6.638 -4.262 10.103 1.00 1.00 H new ATOM 0 HB2 SER A 44 5.064 -6.713 9.190 1.00 1.00 H new ATOM 0 HB3 SER A 44 6.685 -6.720 9.857 1.00 1.00 H new ATOM 0 HG SER A 44 5.066 -7.153 11.478 1.00 1.00 H new ATOM 645 N TYR A 45 5.541 -4.871 7.057 1.00 1.00 N ATOM 646 CA TYR A 45 5.920 -4.876 5.647 1.00 1.00 C ATOM 647 C TYR A 45 6.619 -3.564 5.268 1.00 1.00 C ATOM 648 O TYR A 45 7.742 -3.577 4.764 1.00 1.00 O ATOM 649 CB TYR A 45 4.668 -5.089 4.794 1.00 1.00 C ATOM 650 CG TYR A 45 5.032 -5.133 3.323 1.00 1.00 C ATOM 651 CD1 TYR A 45 5.777 -6.213 2.830 1.00 1.00 C ATOM 652 CD2 TYR A 45 4.613 -4.116 2.448 1.00 1.00 C ATOM 653 CE1 TYR A 45 6.102 -6.280 1.471 1.00 1.00 C ATOM 654 CE2 TYR A 45 4.942 -4.186 1.090 1.00 1.00 C ATOM 655 CZ TYR A 45 5.683 -5.266 0.602 1.00 1.00 C ATOM 656 OH TYR A 45 6.007 -5.331 -0.735 1.00 1.00 O ATOM 0 H TYR A 45 4.546 -5.012 7.230 1.00 1.00 H new ATOM 0 HA TYR A 45 6.623 -5.689 5.465 1.00 1.00 H new ATOM 0 HB2 TYR A 45 4.178 -6.019 5.082 1.00 1.00 H new ATOM 0 HB3 TYR A 45 3.956 -4.284 4.975 1.00 1.00 H new ATOM 0 HD1 TYR A 45 6.101 -6.995 3.501 1.00 1.00 H new ATOM 0 HD2 TYR A 45 4.038 -3.282 2.823 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.676 -7.113 1.093 1.00 1.00 H new ATOM 0 HE2 TYR A 45 4.623 -3.404 0.417 1.00 1.00 H new ATOM 0 HH TYR A 45 6.715 -5.995 -0.868 1.00 1.00 H new ATOM 666 N VAL A 46 5.950 -2.441 5.503 1.00 1.00 N ATOM 667 CA VAL A 46 6.526 -1.145 5.172 1.00 1.00 C ATOM 668 C VAL A 46 7.857 -0.954 5.901 1.00 1.00 C ATOM 669 O VAL A 46 8.777 -0.323 5.379 1.00 1.00 O ATOM 670 CB VAL A 46 5.559 -0.026 5.561 1.00 1.00 C ATOM 671 CG1 VAL A 46 4.285 -0.116 4.713 1.00 1.00 C ATOM 672 CG2 VAL A 46 5.211 -0.127 7.044 1.00 1.00 C ATOM 0 H VAL A 46 5.019 -2.402 5.917 1.00 1.00 H new ATOM 0 HA VAL A 46 6.703 -1.108 4.097 1.00 1.00 H new ATOM 0 HB VAL A 46 6.038 0.936 5.377 1.00 1.00 H new ATOM 0 HG11 VAL A 46 3.602 0.685 4.997 1.00 1.00 H new ATOM 0 HG12 VAL A 46 4.542 -0.017 3.658 1.00 1.00 H new ATOM 0 HG13 VAL A 46 3.804 -1.080 4.880 1.00 1.00 H new ATOM 0 HG21 VAL A 46 4.522 0.674 7.311 1.00 1.00 H new ATOM 0 HG22 VAL A 46 4.742 -1.091 7.243 1.00 1.00 H new ATOM 0 HG23 VAL A 46 6.120 -0.037 7.638 1.00 1.00 H new ATOM 682 N ARG A 47 7.950 -1.506 7.105 1.00 1.00 N ATOM 683 CA ARG A 47 9.169 -1.398 7.905 1.00 1.00 C ATOM 684 C ARG A 47 10.333 -2.118 7.211 1.00 1.00 C ATOM 685 O ARG A 47 11.461 -1.626 7.216 1.00 1.00 O ATOM 686 CB ARG A 47 8.924 -1.988 9.305 1.00 1.00 C ATOM 687 CG ARG A 47 10.131 -1.740 10.234 1.00 1.00 C ATOM 688 CD ARG A 47 10.335 -0.225 10.494 1.00 1.00 C ATOM 689 NE ARG A 47 11.242 0.328 9.490 1.00 1.00 N ATOM 690 CZ ARG A 47 12.560 0.200 9.602 1.00 1.00 C ATOM 691 NH1 ARG A 47 13.070 -0.380 10.659 1.00 1.00 N ATOM 692 NH2 ARG A 47 13.339 0.650 8.656 1.00 1.00 N ATOM 0 H ARG A 47 7.198 -2.033 7.550 1.00 1.00 H new ATOM 0 HA ARG A 47 9.435 -0.346 8.007 1.00 1.00 H new ATOM 0 HB2 ARG A 47 8.030 -1.541 9.739 1.00 1.00 H new ATOM 0 HB3 ARG A 47 8.738 -3.059 9.224 1.00 1.00 H new ATOM 0 HG2 ARG A 47 9.977 -2.257 11.181 1.00 1.00 H new ATOM 0 HG3 ARG A 47 11.031 -2.159 9.785 1.00 1.00 H new ATOM 0 HD2 ARG A 47 9.377 0.293 10.457 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.743 -0.069 11.493 1.00 1.00 H new ATOM 0 HE ARG A 47 10.855 0.823 8.686 1.00 1.00 H new ATOM 0 HH11 ARG A 47 12.456 -0.732 11.394 1.00 1.00 H new ATOM 0 HH12 ARG A 47 14.081 -0.480 10.748 1.00 1.00 H new ATOM 0 HH21 ARG A 47 12.936 1.099 7.833 1.00 1.00 H new ATOM 0 HH22 ARG A 47 14.351 0.553 8.739 1.00 1.00 H new ATOM 706 N GLU A 48 10.060 -3.281 6.618 1.00 1.00 N ATOM 707 CA GLU A 48 11.111 -4.034 5.932 1.00 1.00 C ATOM 708 C GLU A 48 11.746 -3.180 4.835 1.00 1.00 C ATOM 709 O GLU A 48 12.971 -3.073 4.744 1.00 1.00 O ATOM 710 CB GLU A 48 10.528 -5.308 5.292 1.00 1.00 C ATOM 711 CG GLU A 48 10.096 -6.317 6.364 1.00 1.00 C ATOM 712 CD GLU A 48 11.311 -6.883 7.092 1.00 1.00 C ATOM 713 OE1 GLU A 48 12.419 -6.636 6.644 1.00 1.00 O ATOM 714 OE2 GLU A 48 11.114 -7.567 8.084 1.00 1.00 O ATOM 0 H GLU A 48 9.138 -3.716 6.598 1.00 1.00 H new ATOM 0 HA GLU A 48 11.866 -4.307 6.669 1.00 1.00 H new ATOM 0 HB2 GLU A 48 9.673 -5.047 4.668 1.00 1.00 H new ATOM 0 HB3 GLU A 48 11.272 -5.763 4.638 1.00 1.00 H new ATOM 0 HG2 GLU A 48 9.430 -5.833 7.079 1.00 1.00 H new ATOM 0 HG3 GLU A 48 9.533 -7.128 5.902 1.00 1.00 H new ATOM 721 N LYS A 49 10.898 -2.593 3.995 1.00 1.00 N ATOM 722 CA LYS A 49 11.359 -1.765 2.880 1.00 1.00 C ATOM 723 C LYS A 49 11.687 -0.360 3.373 1.00 1.00 C ATOM 724 O LYS A 49 11.086 0.129 4.332 1.00 1.00 O ATOM 725 CB LYS A 49 10.274 -1.702 1.787 1.00 1.00 C ATOM 726 CG LYS A 49 9.759 -3.116 1.429 1.00 1.00 C ATOM 727 CD LYS A 49 10.808 -3.883 0.621 1.00 1.00 C ATOM 728 CE LYS A 49 10.274 -5.262 0.249 1.00 1.00 C ATOM 729 NZ LYS A 49 11.293 -5.957 -0.583 1.00 1.00 N ATOM 0 H LYS A 49 9.884 -2.675 4.064 1.00 1.00 H new ATOM 0 HA LYS A 49 12.260 -2.210 2.458 1.00 1.00 H new ATOM 0 HB2 LYS A 49 9.443 -1.086 2.130 1.00 1.00 H new ATOM 0 HB3 LYS A 49 10.679 -1.223 0.896 1.00 1.00 H new ATOM 0 HG2 LYS A 49 9.522 -3.664 2.341 1.00 1.00 H new ATOM 0 HG3 LYS A 49 8.836 -3.038 0.855 1.00 1.00 H new ATOM 0 HD2 LYS A 49 11.062 -3.327 -0.281 1.00 1.00 H new ATOM 0 HD3 LYS A 49 11.725 -3.984 1.202 1.00 1.00 H new ATOM 0 HE2 LYS A 49 10.061 -5.840 1.148 1.00 1.00 H new ATOM 0 HE3 LYS A 49 9.337 -5.169 -0.300 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 10.943 -6.900 -0.845 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 11.474 -5.403 -1.445 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 12.176 -6.054 -0.042 1.00 1.00 H new ATOM 743 N GLN A 50 12.659 0.280 2.716 1.00 1.00 N ATOM 744 CA GLN A 50 13.099 1.632 3.088 1.00 1.00 C ATOM 745 C GLN A 50 12.529 2.679 2.142 1.00 1.00 C ATOM 746 O GLN A 50 11.788 2.359 1.212 1.00 1.00 O ATOM 747 CB GLN A 50 14.635 1.702 3.078 1.00 1.00 C ATOM 748 CG GLN A 50 15.172 1.322 1.693 1.00 1.00 C ATOM 749 CD GLN A 50 16.701 1.296 1.706 1.00 1.00 C ATOM 750 OE1 GLN A 50 17.343 1.500 2.824 1.00 1.00 O flip ATOM 751 NE2 GLN A 50 17.324 1.080 0.666 1.00 1.00 N flip ATOM 0 H GLN A 50 13.159 -0.117 1.920 1.00 1.00 H new ATOM 0 HA GLN A 50 12.729 1.844 4.091 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.962 2.708 3.340 1.00 1.00 H new ATOM 0 HB3 GLN A 50 15.042 1.028 3.832 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.787 0.345 1.402 1.00 1.00 H new ATOM 0 HG3 GLN A 50 14.820 2.038 0.950 1.00 1.00 H new ATOM 0 HE21 GLN A 50 16.820 0.921 -0.207 1.00 1.00 H new ATOM 0 HE22 GLN A 50 18.344 1.060 0.677 1.00 1.00 H new ATOM 760 N ALA A 51 12.883 3.937 2.393 1.00 1.00 N ATOM 761 CA ALA A 51 12.403 5.037 1.570 1.00 1.00 C ATOM 762 C ALA A 51 12.970 4.919 0.163 1.00 1.00 C ATOM 763 O ALA A 51 14.159 4.646 -0.011 1.00 1.00 O ATOM 764 CB ALA A 51 12.832 6.374 2.189 1.00 1.00 C ATOM 0 H ALA A 51 13.498 4.216 3.157 1.00 1.00 H new ATOM 0 HA ALA A 51 11.315 4.995 1.521 1.00 1.00 H new ATOM 0 HB1 ALA A 51 12.470 7.195 1.569 1.00 1.00 H new ATOM 0 HB2 ALA A 51 12.411 6.463 3.191 1.00 1.00 H new ATOM 0 HB3 ALA A 51 13.920 6.416 2.247 1.00 1.00 H new ATOM 770 N GLY A 52 12.119 5.126 -0.847 1.00 1.00 N ATOM 771 CA GLY A 52 12.549 5.033 -2.249 1.00 1.00 C ATOM 772 C GLY A 52 12.277 3.638 -2.809 1.00 1.00 C ATOM 773 O GLY A 52 12.559 3.363 -3.976 1.00 1.00 O ATOM 0 H GLY A 52 11.133 5.358 -0.723 1.00 1.00 H new ATOM 0 HA2 GLY A 52 12.023 5.778 -2.846 1.00 1.00 H new ATOM 0 HA3 GLY A 52 13.613 5.259 -2.323 1.00 1.00 H new ATOM 777 N ASP A 53 11.719 2.761 -1.968 1.00 1.00 N ATOM 778 CA ASP A 53 11.407 1.394 -2.392 1.00 1.00 C ATOM 779 C ASP A 53 10.131 1.360 -3.225 1.00 1.00 C ATOM 780 O ASP A 53 9.414 2.352 -3.320 1.00 1.00 O ATOM 781 CB ASP A 53 11.246 0.474 -1.179 1.00 1.00 C ATOM 782 CG ASP A 53 11.066 -0.965 -1.652 1.00 1.00 C ATOM 783 OD1 ASP A 53 12.013 -1.516 -2.188 1.00 1.00 O ATOM 784 OD2 ASP A 53 9.989 -1.498 -1.464 1.00 1.00 O ATOM 0 H ASP A 53 11.477 2.971 -1.000 1.00 1.00 H new ATOM 0 HA ASP A 53 12.238 1.041 -3.002 1.00 1.00 H new ATOM 0 HB2 ASP A 53 12.121 0.549 -0.534 1.00 1.00 H new ATOM 0 HB3 ASP A 53 10.385 0.784 -0.586 1.00 1.00 H new ATOM 789 N ARG A 54 9.854 0.197 -3.818 1.00 1.00 N ATOM 790 CA ARG A 54 8.661 -0.002 -4.657 1.00 1.00 C ATOM 791 C ARG A 54 8.062 -1.369 -4.370 1.00 1.00 C ATOM 792 O ARG A 54 8.753 -2.383 -4.451 1.00 1.00 O ATOM 793 CB ARG A 54 9.043 0.079 -6.144 1.00 1.00 C ATOM 794 CG ARG A 54 9.390 1.518 -6.511 1.00 1.00 C ATOM 795 CD ARG A 54 9.894 1.571 -7.957 1.00 1.00 C ATOM 796 NE ARG A 54 8.843 1.125 -8.864 1.00 1.00 N ATOM 797 CZ ARG A 54 9.067 0.989 -10.171 1.00 1.00 C ATOM 798 NH1 ARG A 54 10.244 1.269 -10.669 1.00 1.00 N ATOM 799 NH2 ARG A 54 8.107 0.574 -10.957 1.00 1.00 N ATOM 0 H ARG A 54 10.443 -0.631 -3.734 1.00 1.00 H new ATOM 0 HA ARG A 54 7.933 0.777 -4.429 1.00 1.00 H new ATOM 0 HB2 ARG A 54 9.893 -0.573 -6.346 1.00 1.00 H new ATOM 0 HB3 ARG A 54 8.217 -0.274 -6.761 1.00 1.00 H new ATOM 0 HG2 ARG A 54 8.513 2.155 -6.397 1.00 1.00 H new ATOM 0 HG3 ARG A 54 10.153 1.903 -5.835 1.00 1.00 H new ATOM 0 HD2 ARG A 54 10.197 2.587 -8.209 1.00 1.00 H new ATOM 0 HD3 ARG A 54 10.775 0.939 -8.068 1.00 1.00 H new ATOM 0 HE ARG A 54 7.918 0.913 -8.491 1.00 1.00 H new ATOM 0 HH11 ARG A 54 10.993 1.592 -10.057 1.00 1.00 H new ATOM 0 HH12 ARG A 54 10.413 1.164 -11.669 1.00 1.00 H new ATOM 0 HH21 ARG A 54 7.189 0.355 -10.569 1.00 1.00 H new ATOM 0 HH22 ARG A 54 8.276 0.469 -11.957 1.00 1.00 H new ATOM 813 N VAL A 55 6.772 -1.380 -4.021 1.00 1.00 N ATOM 814 CA VAL A 55 6.063 -2.625 -3.695 1.00 1.00 C ATOM 815 C VAL A 55 4.779 -2.776 -4.517 1.00 1.00 C ATOM 816 O VAL A 55 3.964 -1.858 -4.628 1.00 1.00 O ATOM 817 CB VAL A 55 5.735 -2.659 -2.192 1.00 1.00 C ATOM 818 CG1 VAL A 55 7.028 -2.820 -1.392 1.00 1.00 C ATOM 819 CG2 VAL A 55 5.051 -1.350 -1.791 1.00 1.00 C ATOM 0 H VAL A 55 6.195 -0.541 -3.956 1.00 1.00 H new ATOM 0 HA VAL A 55 6.717 -3.460 -3.946 1.00 1.00 H new ATOM 0 HB VAL A 55 5.070 -3.498 -1.984 1.00 1.00 H new ATOM 0 HG11 VAL A 55 6.796 -2.844 -0.327 1.00 1.00 H new ATOM 0 HG12 VAL A 55 7.519 -3.750 -1.678 1.00 1.00 H new ATOM 0 HG13 VAL A 55 7.691 -1.981 -1.600 1.00 1.00 H new ATOM 0 HG21 VAL A 55 4.818 -1.373 -0.726 1.00 1.00 H new ATOM 0 HG22 VAL A 55 5.717 -0.513 -1.999 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.130 -1.231 -2.362 1.00 1.00 H new ATOM 829 N ARG A 56 4.628 -3.971 -5.070 1.00 1.00 N ATOM 830 CA ARG A 56 3.462 -4.327 -5.878 1.00 1.00 C ATOM 831 C ARG A 56 2.321 -4.695 -4.951 1.00 1.00 C ATOM 832 O ARG A 56 2.397 -5.683 -4.221 1.00 1.00 O ATOM 833 CB ARG A 56 3.796 -5.517 -6.781 1.00 1.00 C ATOM 834 CG ARG A 56 5.007 -5.195 -7.672 1.00 1.00 C ATOM 835 CD ARG A 56 4.672 -4.083 -8.686 1.00 1.00 C ATOM 836 NE ARG A 56 5.676 -4.056 -9.748 1.00 1.00 N ATOM 837 CZ ARG A 56 6.868 -3.493 -9.567 1.00 1.00 C ATOM 838 NH1 ARG A 56 7.183 -2.973 -8.407 1.00 1.00 N ATOM 839 NH2 ARG A 56 7.722 -3.459 -10.554 1.00 1.00 N ATOM 0 H ARG A 56 5.309 -4.724 -4.973 1.00 1.00 H new ATOM 0 HA ARG A 56 3.176 -3.481 -6.503 1.00 1.00 H new ATOM 0 HB2 ARG A 56 4.009 -6.395 -6.171 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.935 -5.762 -7.403 1.00 1.00 H new ATOM 0 HG2 ARG A 56 5.847 -4.883 -7.051 1.00 1.00 H new ATOM 0 HG3 ARG A 56 5.320 -6.094 -8.204 1.00 1.00 H new ATOM 0 HD2 ARG A 56 3.684 -4.254 -9.113 1.00 1.00 H new ATOM 0 HD3 ARG A 56 4.638 -3.117 -8.181 1.00 1.00 H new ATOM 0 HE ARG A 56 5.458 -4.479 -10.650 1.00 1.00 H new ATOM 0 HH11 ARG A 56 6.513 -2.999 -7.638 1.00 1.00 H new ATOM 0 HH12 ARG A 56 8.098 -2.542 -8.273 1.00 1.00 H new ATOM 0 HH21 ARG A 56 7.474 -3.863 -11.457 1.00 1.00 H new ATOM 0 HH22 ARG A 56 8.637 -3.029 -10.422 1.00 1.00 H new ATOM 853 N VAL A 57 1.274 -3.868 -4.962 1.00 1.00 N ATOM 854 CA VAL A 57 0.104 -4.078 -4.088 1.00 1.00 C ATOM 855 C VAL A 57 -1.082 -4.595 -4.893 1.00 1.00 C ATOM 856 O VAL A 57 -1.420 -4.047 -5.932 1.00 1.00 O ATOM 857 CB VAL A 57 -0.265 -2.750 -3.393 1.00 1.00 C ATOM 858 CG1 VAL A 57 -1.628 -2.877 -2.661 1.00 1.00 C ATOM 859 CG2 VAL A 57 0.850 -2.369 -2.402 1.00 1.00 C ATOM 0 H VAL A 57 1.206 -3.047 -5.563 1.00 1.00 H new ATOM 0 HA VAL A 57 0.356 -4.824 -3.334 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.361 -1.966 -4.144 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.871 -1.931 -2.177 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.406 -3.126 -3.382 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.565 -3.663 -1.909 1.00 1.00 H new ATOM 0 HG21 VAL A 57 0.594 -1.431 -1.909 1.00 1.00 H new ATOM 0 HG22 VAL A 57 0.957 -3.155 -1.654 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.790 -2.250 -2.940 1.00 1.00 H new ATOM 869 N THR A 58 -1.730 -5.647 -4.384 1.00 1.00 N ATOM 870 CA THR A 58 -2.898 -6.239 -5.046 1.00 1.00 C ATOM 871 C THR A 58 -4.175 -5.767 -4.358 1.00 1.00 C ATOM 872 O THR A 58 -4.243 -5.728 -3.129 1.00 1.00 O ATOM 873 CB THR A 58 -2.809 -7.770 -4.958 1.00 1.00 C ATOM 874 OG1 THR A 58 -1.526 -8.190 -5.407 1.00 1.00 O ATOM 875 CG2 THR A 58 -3.888 -8.406 -5.836 1.00 1.00 C ATOM 0 H THR A 58 -1.465 -6.108 -3.513 1.00 1.00 H new ATOM 0 HA THR A 58 -2.916 -5.930 -6.091 1.00 1.00 H new ATOM 0 HB THR A 58 -2.960 -8.082 -3.925 1.00 1.00 H new ATOM 0 HG1 THR A 58 -1.058 -7.432 -5.816 1.00 1.00 H new ATOM 0 HG21 THR A 58 -3.819 -9.492 -5.769 1.00 1.00 H new ATOM 0 HG22 THR A 58 -4.872 -8.083 -5.495 1.00 1.00 H new ATOM 0 HG23 THR A 58 -3.744 -8.097 -6.871 1.00 1.00 H new ATOM 883 N PHE A 59 -5.201 -5.427 -5.146 1.00 1.00 N ATOM 884 CA PHE A 59 -6.481 -4.982 -4.578 1.00 1.00 C ATOM 885 C PHE A 59 -7.626 -5.358 -5.522 1.00 1.00 C ATOM 886 O PHE A 59 -7.417 -5.470 -6.729 1.00 1.00 O ATOM 887 CB PHE A 59 -6.456 -3.462 -4.364 1.00 1.00 C ATOM 888 CG PHE A 59 -6.570 -2.728 -5.698 1.00 1.00 C ATOM 889 CD1 PHE A 59 -5.422 -2.408 -6.440 1.00 1.00 C ATOM 890 CD2 PHE A 59 -7.837 -2.368 -6.188 1.00 1.00 C ATOM 891 CE1 PHE A 59 -5.549 -1.731 -7.662 1.00 1.00 C ATOM 892 CE2 PHE A 59 -7.953 -1.690 -7.402 1.00 1.00 C ATOM 893 CZ PHE A 59 -6.811 -1.371 -8.139 1.00 1.00 C ATOM 0 H PHE A 59 -5.173 -5.450 -6.165 1.00 1.00 H new ATOM 0 HA PHE A 59 -6.636 -5.473 -3.617 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -7.277 -3.168 -3.710 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -5.531 -3.175 -3.863 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -4.445 -2.682 -6.071 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -8.723 -2.617 -5.623 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -4.667 -1.487 -8.236 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -8.928 -1.411 -7.772 1.00 1.00 H new ATOM 0 HZ PHE A 59 -6.904 -0.846 -9.078 1.00 1.00 H new ATOM 903 N ILE A 60 -8.834 -5.565 -4.971 1.00 1.00 N ATOM 904 CA ILE A 60 -10.012 -5.945 -5.767 1.00 1.00 C ATOM 905 C ILE A 60 -10.980 -4.777 -5.903 1.00 1.00 C ATOM 906 O ILE A 60 -11.265 -4.063 -4.939 1.00 1.00 O ATOM 907 CB ILE A 60 -10.715 -7.173 -5.106 1.00 1.00 C ATOM 908 CG1 ILE A 60 -10.053 -8.483 -5.600 1.00 1.00 C ATOM 909 CG2 ILE A 60 -12.227 -7.221 -5.452 1.00 1.00 C ATOM 910 CD1 ILE A 60 -8.534 -8.455 -5.349 1.00 1.00 C ATOM 0 H ILE A 60 -9.020 -5.475 -3.972 1.00 1.00 H new ATOM 0 HA ILE A 60 -9.685 -6.219 -6.770 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.607 -7.072 -4.026 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.496 -9.336 -5.086 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.248 -8.616 -6.664 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.682 -8.089 -4.975 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.712 -6.313 -5.092 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.351 -7.295 -6.532 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.089 -9.385 -5.704 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.092 -7.614 -5.884 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.344 -8.346 -4.281 1.00 1.00 H new ATOM 922 N ARG A 61 -11.516 -4.634 -7.119 1.00 1.00 N ATOM 923 CA ARG A 61 -12.492 -3.604 -7.429 1.00 1.00 C ATOM 924 C ARG A 61 -13.528 -4.146 -8.423 1.00 1.00 C ATOM 925 O ARG A 61 -13.196 -4.595 -9.514 1.00 1.00 O ATOM 926 CB ARG A 61 -11.769 -2.364 -7.976 1.00 1.00 C ATOM 927 CG ARG A 61 -12.785 -1.347 -8.522 1.00 1.00 C ATOM 928 CD ARG A 61 -12.085 -0.013 -8.789 1.00 1.00 C ATOM 929 NE ARG A 61 -11.710 0.598 -7.518 1.00 1.00 N ATOM 930 CZ ARG A 61 -12.631 1.124 -6.712 1.00 1.00 C ATOM 931 NH1 ARG A 61 -13.888 1.132 -7.076 1.00 1.00 N ATOM 932 NH2 ARG A 61 -12.282 1.626 -5.559 1.00 1.00 N ATOM 0 H ARG A 61 -11.281 -5.233 -7.911 1.00 1.00 H new ATOM 0 HA ARG A 61 -13.027 -3.312 -6.525 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -11.174 -1.905 -7.187 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -11.078 -2.657 -8.766 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -13.234 -1.724 -9.441 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -13.595 -1.207 -7.806 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -11.200 -0.171 -9.405 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -12.746 0.653 -9.345 1.00 1.00 H new ATOM 0 HE ARG A 61 -10.728 0.623 -7.243 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -14.161 0.736 -7.975 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -14.595 1.534 -6.460 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -11.303 1.616 -5.274 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -12.988 2.028 -4.943 1.00 1.00 H new ATOM 946 N ASP A 62 -14.790 -4.063 -8.019 1.00 1.00 N ATOM 947 CA ASP A 62 -15.901 -4.507 -8.858 1.00 1.00 C ATOM 948 C ASP A 62 -15.655 -5.921 -9.381 1.00 1.00 C ATOM 949 O ASP A 62 -15.890 -6.191 -10.555 1.00 1.00 O ATOM 950 CB ASP A 62 -16.067 -3.563 -10.057 1.00 1.00 C ATOM 951 CG ASP A 62 -16.550 -2.193 -9.600 1.00 1.00 C ATOM 952 OD1 ASP A 62 -17.012 -2.095 -8.476 1.00 1.00 O ATOM 953 OD2 ASP A 62 -16.446 -1.263 -10.381 1.00 1.00 O ATOM 0 H ASP A 62 -15.072 -3.691 -7.112 1.00 1.00 H new ATOM 0 HA ASP A 62 -16.804 -4.499 -8.248 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -15.117 -3.463 -10.582 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -16.779 -3.988 -10.765 1.00 1.00 H new ATOM 958 N ARG A 63 -15.169 -6.805 -8.512 1.00 1.00 N ATOM 959 CA ARG A 63 -14.874 -8.188 -8.872 1.00 1.00 C ATOM 960 C ARG A 63 -13.710 -8.283 -9.859 1.00 1.00 C ATOM 961 O ARG A 63 -13.438 -9.357 -10.396 1.00 1.00 O ATOM 962 CB ARG A 63 -16.106 -8.893 -9.443 1.00 1.00 C ATOM 963 CG ARG A 63 -17.212 -8.909 -8.392 1.00 1.00 C ATOM 964 CD ARG A 63 -18.435 -9.641 -8.953 1.00 1.00 C ATOM 965 NE ARG A 63 -19.523 -9.607 -7.981 1.00 1.00 N ATOM 966 CZ ARG A 63 -20.601 -10.379 -8.118 1.00 1.00 C ATOM 967 NH1 ARG A 63 -20.708 -11.186 -9.143 1.00 1.00 N ATOM 968 NH2 ARG A 63 -21.554 -10.326 -7.226 1.00 1.00 N ATOM 0 H ARG A 63 -14.969 -6.581 -7.537 1.00 1.00 H new ATOM 0 HA ARG A 63 -14.581 -8.694 -7.952 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.449 -8.379 -10.341 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -15.853 -9.912 -9.736 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.861 -9.404 -7.487 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -17.480 -7.890 -8.114 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -18.753 -9.174 -9.885 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.176 -10.674 -9.186 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.457 -8.979 -7.180 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -19.965 -11.226 -9.841 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -21.534 -11.775 -9.244 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -21.472 -9.696 -6.428 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -22.381 -10.915 -7.327 1.00 1.00 H new ATOM 982 N LYS A 64 -13.019 -7.156 -10.088 1.00 1.00 N ATOM 983 CA LYS A 64 -11.867 -7.114 -11.004 1.00 1.00 C ATOM 984 C LYS A 64 -10.586 -6.785 -10.243 1.00 1.00 C ATOM 985 O LYS A 64 -10.376 -5.650 -9.821 1.00 1.00 O ATOM 986 CB LYS A 64 -12.089 -6.038 -12.072 1.00 1.00 C ATOM 987 CG LYS A 64 -13.353 -6.351 -12.888 1.00 1.00 C ATOM 988 CD LYS A 64 -13.575 -5.276 -13.987 1.00 1.00 C ATOM 989 CE LYS A 64 -14.309 -4.044 -13.426 1.00 1.00 C ATOM 990 NZ LYS A 64 -15.700 -4.429 -13.059 1.00 1.00 N ATOM 0 H LYS A 64 -13.238 -6.260 -9.651 1.00 1.00 H new ATOM 0 HA LYS A 64 -11.770 -8.094 -11.471 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -12.186 -5.061 -11.599 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.224 -5.988 -12.733 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -13.261 -7.335 -13.348 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -14.219 -6.387 -12.227 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -12.613 -4.972 -14.400 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -14.153 -5.704 -14.806 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -13.783 -3.659 -12.553 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -14.323 -3.245 -14.168 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -16.264 -3.572 -12.890 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -16.125 -4.976 -13.835 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -15.683 -5.008 -12.195 1.00 1.00 H new ATOM 1004 N GLN A 65 -9.739 -7.795 -10.066 1.00 1.00 N ATOM 1005 CA GLN A 65 -8.478 -7.631 -9.356 1.00 1.00 C ATOM 1006 C GLN A 65 -7.459 -6.880 -10.201 1.00 1.00 C ATOM 1007 O GLN A 65 -7.330 -7.118 -11.400 1.00 1.00 O ATOM 1008 CB GLN A 65 -7.928 -9.010 -8.961 1.00 1.00 C ATOM 1009 CG GLN A 65 -7.567 -9.834 -10.224 1.00 1.00 C ATOM 1010 CD GLN A 65 -6.190 -9.435 -10.758 1.00 1.00 C ATOM 1011 OE1 GLN A 65 -5.229 -9.348 -9.991 1.00 1.00 O ATOM 1012 NE2 GLN A 65 -6.042 -9.170 -12.028 1.00 1.00 N ATOM 0 H GLN A 65 -9.907 -8.741 -10.408 1.00 1.00 H new ATOM 0 HA GLN A 65 -8.663 -7.041 -8.459 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -7.045 -8.890 -8.334 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -8.669 -9.547 -8.369 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -7.575 -10.897 -9.984 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -8.321 -9.675 -10.995 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -6.839 -9.243 -12.660 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -5.129 -8.890 -12.388 1.00 1.00 H new ATOM 1021 N HIS A 66 -6.734 -5.972 -9.548 1.00 1.00 N ATOM 1022 CA HIS A 66 -5.696 -5.172 -10.215 1.00 1.00 C ATOM 1023 C HIS A 66 -4.566 -4.816 -9.251 1.00 1.00 C ATOM 1024 O HIS A 66 -4.789 -4.581 -8.062 1.00 1.00 O ATOM 1025 CB HIS A 66 -6.287 -3.877 -10.769 1.00 1.00 C ATOM 1026 CG HIS A 66 -7.338 -4.190 -11.787 1.00 1.00 C ATOM 1027 ND1 HIS A 66 -7.037 -4.607 -13.076 1.00 1.00 N ATOM 1028 CD2 HIS A 66 -8.699 -4.136 -11.719 1.00 1.00 C ATOM 1029 CE1 HIS A 66 -8.203 -4.782 -13.726 1.00 1.00 C ATOM 1030 NE2 HIS A 66 -9.250 -4.509 -12.941 1.00 1.00 N ATOM 0 H HIS A 66 -6.844 -5.769 -8.555 1.00 1.00 H new ATOM 0 HA HIS A 66 -5.298 -5.777 -11.029 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -6.717 -3.288 -9.959 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -5.500 -3.272 -11.220 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -6.104 -4.754 -13.460 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -9.265 -3.847 -10.846 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -8.283 -5.103 -14.754 1.00 1.00 H new ATOM 1039 N GLU A 67 -3.346 -4.792 -9.794 1.00 1.00 N ATOM 1040 CA GLU A 67 -2.136 -4.478 -9.031 1.00 1.00 C ATOM 1041 C GLU A 67 -1.873 -2.971 -9.062 1.00 1.00 C ATOM 1042 O GLU A 67 -2.000 -2.317 -10.099 1.00 1.00 O ATOM 1043 CB GLU A 67 -0.917 -5.254 -9.637 1.00 1.00 C ATOM 1044 CG GLU A 67 -0.587 -6.494 -8.788 1.00 1.00 C ATOM 1045 CD GLU A 67 0.028 -6.078 -7.453 1.00 1.00 C ATOM 1046 OE1 GLU A 67 0.344 -4.910 -7.304 1.00 1.00 O ATOM 1047 OE2 GLU A 67 0.172 -6.937 -6.597 1.00 1.00 O ATOM 0 H GLU A 67 -3.170 -4.991 -10.779 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.274 -4.785 -7.994 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.144 -5.557 -10.659 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.048 -4.597 -9.684 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.493 -7.074 -8.613 1.00 1.00 H new ATOM 0 HG3 GLU A 67 0.105 -7.139 -9.329 1.00 1.00 H new ATOM 1054 N ALA A 68 -1.519 -2.443 -7.893 1.00 1.00 N ATOM 1055 CA ALA A 68 -1.232 -1.016 -7.712 1.00 1.00 C ATOM 1056 C ALA A 68 0.253 -0.803 -7.409 1.00 1.00 C ATOM 1057 O ALA A 68 0.795 -1.343 -6.443 1.00 1.00 O ATOM 1058 CB ALA A 68 -2.077 -0.446 -6.560 1.00 1.00 C ATOM 0 H ALA A 68 -1.422 -2.992 -7.039 1.00 1.00 H new ATOM 0 HA ALA A 68 -1.485 -0.496 -8.636 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -1.855 0.614 -6.436 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.135 -0.571 -6.789 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -1.840 -0.977 -5.638 1.00 1.00 H new ATOM 1064 N GLU A 69 0.887 0.002 -8.254 1.00 1.00 N ATOM 1065 CA GLU A 69 2.310 0.330 -8.112 1.00 1.00 C ATOM 1066 C GLU A 69 2.485 1.492 -7.129 1.00 1.00 C ATOM 1067 O GLU A 69 2.253 2.650 -7.474 1.00 1.00 O ATOM 1068 CB GLU A 69 2.904 0.725 -9.469 1.00 1.00 C ATOM 1069 CG GLU A 69 2.918 -0.485 -10.401 1.00 1.00 C ATOM 1070 CD GLU A 69 3.486 -0.087 -11.759 1.00 1.00 C ATOM 1071 OE1 GLU A 69 4.636 0.319 -11.804 1.00 1.00 O ATOM 1072 OE2 GLU A 69 2.763 -0.194 -12.736 1.00 1.00 O ATOM 0 H GLU A 69 0.437 0.446 -9.054 1.00 1.00 H new ATOM 0 HA GLU A 69 2.830 -0.550 -7.734 1.00 1.00 H new ATOM 0 HB2 GLU A 69 2.318 1.530 -9.912 1.00 1.00 H new ATOM 0 HB3 GLU A 69 3.917 1.105 -9.336 1.00 1.00 H new ATOM 0 HG2 GLU A 69 3.519 -1.284 -9.966 1.00 1.00 H new ATOM 0 HG3 GLU A 69 1.907 -0.875 -10.520 1.00 1.00 H new ATOM 1079 N LEU A 70 2.888 1.159 -5.898 1.00 1.00 N ATOM 1080 CA LEU A 70 3.096 2.154 -4.826 1.00 1.00 C ATOM 1081 C LEU A 70 4.581 2.261 -4.487 1.00 1.00 C ATOM 1082 O LEU A 70 5.334 1.294 -4.622 1.00 1.00 O ATOM 1083 CB LEU A 70 2.291 1.753 -3.562 1.00 1.00 C ATOM 1084 CG LEU A 70 0.839 2.263 -3.652 1.00 1.00 C ATOM 1085 CD1 LEU A 70 0.143 1.710 -4.912 1.00 1.00 C ATOM 1086 CD2 LEU A 70 0.081 1.841 -2.386 1.00 1.00 C ATOM 0 H LEU A 70 3.080 0.199 -5.612 1.00 1.00 H new ATOM 0 HA LEU A 70 2.744 3.124 -5.176 1.00 1.00 H new ATOM 0 HB2 LEU A 70 2.294 0.669 -3.453 1.00 1.00 H new ATOM 0 HB3 LEU A 70 2.771 2.164 -2.674 1.00 1.00 H new ATOM 0 HG LEU A 70 0.843 3.350 -3.727 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -0.880 2.083 -4.955 1.00 1.00 H new ATOM 0 HD12 LEU A 70 0.686 2.035 -5.800 1.00 1.00 H new ATOM 0 HD13 LEU A 70 0.131 0.621 -4.873 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -0.947 2.198 -2.442 1.00 1.00 H new ATOM 0 HD22 LEU A 70 0.084 0.754 -2.306 1.00 1.00 H new ATOM 0 HD23 LEU A 70 0.567 2.271 -1.510 1.00 1.00 H new ATOM 1098 N VAL A 71 4.982 3.459 -4.048 1.00 1.00 N ATOM 1099 CA VAL A 71 6.376 3.746 -3.678 1.00 1.00 C ATOM 1100 C VAL A 71 6.453 4.229 -2.232 1.00 1.00 C ATOM 1101 O VAL A 71 5.676 5.086 -1.807 1.00 1.00 O ATOM 1102 CB VAL A 71 6.962 4.823 -4.627 1.00 1.00 C ATOM 1103 CG1 VAL A 71 6.345 6.206 -4.330 1.00 1.00 C ATOM 1104 CG2 VAL A 71 8.498 4.881 -4.468 1.00 1.00 C ATOM 0 H VAL A 71 4.354 4.255 -3.939 1.00 1.00 H new ATOM 0 HA VAL A 71 6.959 2.830 -3.772 1.00 1.00 H new ATOM 0 HB VAL A 71 6.717 4.552 -5.654 1.00 1.00 H new ATOM 0 HG11 VAL A 71 6.770 6.947 -5.007 1.00 1.00 H new ATOM 0 HG12 VAL A 71 5.265 6.161 -4.473 1.00 1.00 H new ATOM 0 HG13 VAL A 71 6.563 6.488 -3.300 1.00 1.00 H new ATOM 0 HG21 VAL A 71 8.905 5.639 -5.137 1.00 1.00 H new ATOM 0 HG22 VAL A 71 8.748 5.134 -3.438 1.00 1.00 H new ATOM 0 HG23 VAL A 71 8.926 3.910 -4.717 1.00 1.00 H new ATOM 1114 N LEU A 72 7.370 3.645 -1.474 1.00 1.00 N ATOM 1115 CA LEU A 72 7.529 3.994 -0.072 1.00 1.00 C ATOM 1116 C LEU A 72 8.004 5.425 0.076 1.00 1.00 C ATOM 1117 O LEU A 72 8.983 5.827 -0.550 1.00 1.00 O ATOM 1118 CB LEU A 72 8.562 3.045 0.558 1.00 1.00 C ATOM 1119 CG LEU A 72 7.915 1.683 0.897 1.00 1.00 C ATOM 1120 CD1 LEU A 72 6.871 1.828 2.048 1.00 1.00 C ATOM 1121 CD2 LEU A 72 7.250 1.092 -0.371 1.00 1.00 C ATOM 0 H LEU A 72 8.014 2.928 -1.807 1.00 1.00 H new ATOM 0 HA LEU A 72 6.566 3.898 0.430 1.00 1.00 H new ATOM 0 HB2 LEU A 72 9.395 2.897 -0.130 1.00 1.00 H new ATOM 0 HB3 LEU A 72 8.972 3.494 1.463 1.00 1.00 H new ATOM 0 HG LEU A 72 8.694 1.003 1.242 1.00 1.00 H new ATOM 0 HD11 LEU A 72 6.432 0.854 2.266 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.365 2.211 2.941 1.00 1.00 H new ATOM 0 HD13 LEU A 72 6.086 2.520 1.742 1.00 1.00 H new ATOM 0 HD21 LEU A 72 6.795 0.132 -0.129 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.483 1.777 -0.732 1.00 1.00 H new ATOM 0 HD23 LEU A 72 8.004 0.951 -1.145 1.00 1.00 H new ATOM 1133 N LYS A 73 7.304 6.190 0.923 1.00 1.00 N ATOM 1134 CA LYS A 73 7.659 7.587 1.163 1.00 1.00 C ATOM 1135 C LYS A 73 7.463 7.937 2.661 1.00 1.00 C ATOM 1136 O LYS A 73 6.349 7.823 3.175 1.00 1.00 O ATOM 1137 CB LYS A 73 6.780 8.490 0.274 1.00 1.00 C ATOM 1138 CG LYS A 73 7.392 8.575 -1.136 1.00 1.00 C ATOM 1139 CD LYS A 73 6.389 9.180 -2.116 1.00 1.00 C ATOM 1140 CE LYS A 73 6.020 10.607 -1.683 1.00 1.00 C ATOM 1141 NZ LYS A 73 5.423 11.317 -2.840 1.00 1.00 N ATOM 0 H LYS A 73 6.493 5.864 1.449 1.00 1.00 H new ATOM 0 HA LYS A 73 8.707 7.749 0.912 1.00 1.00 H new ATOM 0 HB2 LYS A 73 5.768 8.090 0.219 1.00 1.00 H new ATOM 0 HB3 LYS A 73 6.705 9.486 0.710 1.00 1.00 H new ATOM 0 HG2 LYS A 73 8.297 9.182 -1.111 1.00 1.00 H new ATOM 0 HG3 LYS A 73 7.685 7.581 -1.473 1.00 1.00 H new ATOM 0 HD2 LYS A 73 6.814 9.195 -3.120 1.00 1.00 H new ATOM 0 HD3 LYS A 73 5.492 8.562 -2.158 1.00 1.00 H new ATOM 0 HE2 LYS A 73 5.315 10.579 -0.852 1.00 1.00 H new ATOM 0 HE3 LYS A 73 6.906 11.136 -1.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 5.169 12.286 -2.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 6.111 11.352 -3.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 4.570 10.812 -3.154 1.00 1.00 H new