USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.294 K(o=-0.29,f=-3!) USER MOD Set 2.1: A 60 THR OG1 : rot -149:sc= 0.786 USER MOD Set 2.2: A 101 LYS NZ :NH3+ 149:sc= 2.1 (180deg=0) USER MOD Set 2.3: A 103 ASN : amide:sc= 1.32 K(o=4.2,f=-8!) USER MOD Set 3.1: A 56 ASN : amide:sc= -0.166 K(o=-3.9,f=-6.9!) USER MOD Set 3.2: A 59 MET CE :methyl 147:sc= -3.44! (180deg=-4.89!) USER MOD Set 3.3: A 102 ASN : amide:sc= -0.252 K(o=-3.9,f=-5.7!) USER MOD Set 3.4: A 104 SER OG : rot -127:sc= 0.395 USER MOD Set 3.5: A 108 SER OG : rot -70:sc= -0.416 USER MOD Set 4.1: A 51 HIS : no HE2:sc= 0.621 K(o=0.058,f=-5.3!) USER MOD Set 4.2: A 111 SER OG : rot 180:sc= -0.563 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.0507 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 170:sc= -4.7! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.157 USER MOD Single : A 53 THR OG1 : rot 168:sc= -1.88! USER MOD Single : A 54 ASN : amide:sc= -0.173 K(o=-0.17,f=-5.1!) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0718 F(o=-0.69,f=-0.072) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= 1.18 (180deg=-0.738) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -97:sc= 0.376 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0676 USER MOD Single : A 92 SER OG : rot 86:sc= 1.05 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0531 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= 1.12 (180deg=-0.783) USER MOD Single : A 105 SER OG : rot 87:sc= 0.147 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.977 K(o=-0.98,f=-2.2!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 171:sc= -0.0525 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -5.066 -8.949 -0.165 1.00 0.00 N ATOM 92 CA ALA A 19 -4.254 -8.591 -1.310 1.00 0.00 C ATOM 93 C ALA A 19 -2.797 -8.537 -0.889 1.00 0.00 C ATOM 94 O ALA A 19 -2.282 -7.476 -0.538 1.00 0.00 O ATOM 95 CB ALA A 19 -4.695 -7.256 -1.886 1.00 0.00 C ATOM 0 HA ALA A 19 -4.377 -9.344 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.072 -7.007 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.737 -7.322 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.593 -6.481 -1.127 1.00 0.00 H new ATOM 101 N THR A 20 -2.150 -9.688 -0.890 1.00 0.00 N ATOM 102 CA THR A 20 -0.762 -9.784 -0.478 1.00 0.00 C ATOM 103 C THR A 20 0.158 -9.196 -1.538 1.00 0.00 C ATOM 104 O THR A 20 0.463 -9.840 -2.544 1.00 0.00 O ATOM 105 CB THR A 20 -0.372 -11.251 -0.223 1.00 0.00 C ATOM 106 OG1 THR A 20 -1.553 -12.071 -0.205 1.00 0.00 O ATOM 107 CG2 THR A 20 0.371 -11.390 1.099 1.00 0.00 C ATOM 0 H THR A 20 -2.567 -10.575 -1.174 1.00 0.00 H new ATOM 0 HA THR A 20 -0.650 -9.216 0.446 1.00 0.00 H new ATOM 0 HB THR A 20 0.288 -11.579 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.301 -13.004 -0.044 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.637 -12.435 1.259 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.277 -10.785 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.269 -11.050 1.913 1.00 0.00 H new ATOM 115 N TYR A 21 0.589 -7.965 -1.321 1.00 0.00 N ATOM 116 CA TYR A 21 1.527 -7.330 -2.221 1.00 0.00 C ATOM 117 C TYR A 21 2.944 -7.688 -1.805 1.00 0.00 C ATOM 118 O TYR A 21 3.650 -6.887 -1.190 1.00 0.00 O ATOM 119 CB TYR A 21 1.334 -5.811 -2.219 1.00 0.00 C ATOM 120 CG TYR A 21 -0.011 -5.371 -2.754 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.374 -5.631 -4.067 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.922 -4.705 -1.942 1.00 0.00 C ATOM 123 CE1 TYR A 21 -1.602 -5.237 -4.558 1.00 0.00 C ATOM 124 CE2 TYR A 21 -2.155 -4.310 -2.427 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.489 -4.579 -3.735 1.00 0.00 C ATOM 126 OH TYR A 21 -3.716 -4.194 -4.224 1.00 0.00 O ATOM 0 H TYR A 21 0.303 -7.389 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 21 1.348 -7.689 -3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.450 -5.440 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.121 -5.352 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.316 -6.150 -4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.662 -4.493 -0.915 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.867 -5.444 -5.584 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.852 -3.794 -1.784 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.223 -3.743 -3.517 1.00 0.00 H new ATOM 136 N THR A 22 3.342 -8.906 -2.135 1.00 0.00 N ATOM 137 CA THR A 22 4.675 -9.394 -1.837 1.00 0.00 C ATOM 138 C THR A 22 5.645 -9.004 -2.948 1.00 0.00 C ATOM 139 O THR A 22 6.230 -9.860 -3.620 1.00 0.00 O ATOM 140 CB THR A 22 4.657 -10.921 -1.673 1.00 0.00 C ATOM 141 OG1 THR A 22 3.311 -11.405 -1.818 1.00 0.00 O ATOM 142 CG2 THR A 22 5.205 -11.331 -0.316 1.00 0.00 C ATOM 0 H THR A 22 2.749 -9.582 -2.616 1.00 0.00 H new ATOM 0 HA THR A 22 5.008 -8.940 -0.904 1.00 0.00 H new ATOM 0 HB THR A 22 5.292 -11.357 -2.444 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.090 -11.476 -2.770 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.181 -12.417 -0.227 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.233 -10.982 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.595 -10.889 0.472 1.00 0.00 H new ATOM 150 N GLY A 23 5.803 -7.705 -3.140 1.00 0.00 N ATOM 151 CA GLY A 23 6.646 -7.211 -4.202 1.00 0.00 C ATOM 152 C GLY A 23 8.098 -7.131 -3.790 1.00 0.00 C ATOM 153 O GLY A 23 8.412 -6.922 -2.617 1.00 0.00 O ATOM 0 H GLY A 23 5.359 -6.981 -2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.552 -7.863 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.302 -6.223 -4.507 1.00 0.00 H new ATOM 157 N THR A 24 8.983 -7.311 -4.747 1.00 0.00 N ATOM 158 CA THR A 24 10.406 -7.207 -4.495 1.00 0.00 C ATOM 159 C THR A 24 10.942 -5.904 -5.085 1.00 0.00 C ATOM 160 O THR A 24 11.110 -5.787 -6.299 1.00 0.00 O ATOM 161 CB THR A 24 11.152 -8.401 -5.113 1.00 0.00 C ATOM 162 OG1 THR A 24 10.291 -9.073 -6.045 1.00 0.00 O ATOM 163 CG2 THR A 24 11.602 -9.379 -4.037 1.00 0.00 C ATOM 0 H THR A 24 8.741 -7.531 -5.713 1.00 0.00 H new ATOM 0 HA THR A 24 10.570 -7.212 -3.417 1.00 0.00 H new ATOM 0 HB THR A 24 12.037 -8.027 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.767 -9.833 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.127 -10.214 -4.501 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.270 -8.872 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.732 -9.752 -3.498 1.00 0.00 H new ATOM 171 N ILE A 25 11.193 -4.925 -4.226 1.00 0.00 N ATOM 172 CA ILE A 25 11.655 -3.616 -4.670 1.00 0.00 C ATOM 173 C ILE A 25 13.073 -3.711 -5.235 1.00 0.00 C ATOM 174 O ILE A 25 13.880 -4.523 -4.772 1.00 0.00 O ATOM 175 CB ILE A 25 11.592 -2.576 -3.519 1.00 0.00 C ATOM 176 CG1 ILE A 25 12.223 -1.244 -3.940 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.269 -3.111 -2.270 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.271 -0.074 -3.863 1.00 0.00 C ATOM 0 H ILE A 25 11.084 -5.013 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 25 10.988 -3.276 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 25 10.541 -2.397 -3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.085 -1.043 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.594 -1.334 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.212 -2.365 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.767 -4.023 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.314 -3.330 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.785 0.835 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.420 -0.253 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.919 0.042 -2.838 1.00 0.00 H new ATOM 190 N GLN A 26 13.358 -2.873 -6.233 1.00 0.00 N ATOM 191 CA GLN A 26 14.601 -2.942 -6.994 1.00 0.00 C ATOM 192 C GLN A 26 15.827 -2.850 -6.091 1.00 0.00 C ATOM 193 O GLN A 26 16.678 -3.739 -6.089 1.00 0.00 O ATOM 194 CB GLN A 26 14.626 -1.812 -8.022 1.00 0.00 C ATOM 195 CG GLN A 26 15.528 -2.075 -9.213 1.00 0.00 C ATOM 196 CD GLN A 26 15.942 -0.796 -9.908 1.00 0.00 C ATOM 197 OE1 GLN A 26 15.115 0.067 -10.196 1.00 0.00 O ATOM 198 NE2 GLN A 26 17.227 -0.659 -10.177 1.00 0.00 N ATOM 0 H GLN A 26 12.731 -2.127 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 26 14.637 -3.908 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.611 -1.639 -8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.951 -0.895 -7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 26 16.417 -2.611 -8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.011 -2.722 -9.922 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.883 -1.397 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.564 0.185 -10.639 1.00 0.00 H new ATOM 207 N GLY A 27 15.907 -1.776 -5.326 1.00 0.00 N ATOM 208 CA GLY A 27 17.046 -1.566 -4.461 1.00 0.00 C ATOM 209 C GLY A 27 17.461 -0.113 -4.434 1.00 0.00 C ATOM 210 O GLY A 27 17.680 0.486 -5.488 1.00 0.00 O ATOM 0 H GLY A 27 15.200 -1.042 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.802 -1.895 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.881 -2.178 -4.802 1.00 0.00 H new ATOM 214 N LYS A 28 17.560 0.447 -3.227 1.00 0.00 N ATOM 215 CA LYS A 28 17.843 1.868 -3.040 1.00 0.00 C ATOM 216 C LYS A 28 16.895 2.711 -3.886 1.00 0.00 C ATOM 217 O LYS A 28 17.320 3.605 -4.620 1.00 0.00 O ATOM 218 CB LYS A 28 19.302 2.187 -3.391 1.00 0.00 C ATOM 219 CG LYS A 28 20.100 2.781 -2.239 1.00 0.00 C ATOM 220 CD LYS A 28 19.257 3.722 -1.389 1.00 0.00 C ATOM 221 CE LYS A 28 19.254 5.133 -1.947 1.00 0.00 C ATOM 222 NZ LYS A 28 19.611 6.143 -0.918 1.00 0.00 N ATOM 0 H LYS A 28 17.446 -0.071 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 28 17.687 2.112 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.793 1.273 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.319 2.884 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 28 20.488 1.977 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.960 3.321 -2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.234 3.349 -1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.642 3.735 -0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.959 5.196 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.267 5.361 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.596 7.092 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.924 6.102 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.563 5.943 -0.551 1.00 0.00 H new ATOM 236 N GLY A 29 15.607 2.423 -3.770 1.00 0.00 N ATOM 237 CA GLY A 29 14.633 3.069 -4.614 1.00 0.00 C ATOM 238 C GLY A 29 13.284 3.198 -3.951 1.00 0.00 C ATOM 239 O GLY A 29 13.103 2.799 -2.798 1.00 0.00 O ATOM 0 H GLY A 29 15.222 1.752 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.995 4.060 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.526 2.502 -5.539 1.00 0.00 H new ATOM 243 N GLU A 30 12.334 3.728 -4.700 1.00 0.00 N ATOM 244 CA GLU A 30 11.011 4.041 -4.182 1.00 0.00 C ATOM 245 C GLU A 30 9.977 3.783 -5.266 1.00 0.00 C ATOM 246 O GLU A 30 10.219 4.078 -6.437 1.00 0.00 O ATOM 247 CB GLU A 30 10.935 5.504 -3.720 1.00 0.00 C ATOM 248 CG GLU A 30 12.256 6.252 -3.817 1.00 0.00 C ATOM 249 CD GLU A 30 12.100 7.750 -3.665 1.00 0.00 C ATOM 250 OE1 GLU A 30 11.502 8.191 -2.661 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.588 8.491 -4.546 1.00 0.00 O ATOM 0 H GLU A 30 12.457 3.955 -5.687 1.00 0.00 H new ATOM 0 HA GLU A 30 10.810 3.405 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.189 6.025 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.589 5.531 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.934 5.883 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.720 6.036 -4.780 1.00 0.00 H new ATOM 258 N VAL A 31 8.849 3.206 -4.884 1.00 0.00 N ATOM 259 CA VAL A 31 7.802 2.878 -5.844 1.00 0.00 C ATOM 260 C VAL A 31 6.426 3.202 -5.290 1.00 0.00 C ATOM 261 O VAL A 31 6.193 3.130 -4.079 1.00 0.00 O ATOM 262 CB VAL A 31 7.824 1.382 -6.249 1.00 0.00 C ATOM 263 CG1 VAL A 31 9.078 1.044 -7.041 1.00 0.00 C ATOM 264 CG2 VAL A 31 7.709 0.485 -5.022 1.00 0.00 C ATOM 0 H VAL A 31 8.633 2.955 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 31 8.003 3.487 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 31 6.961 1.201 -6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.064 -0.012 -7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.110 1.649 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.959 1.252 -6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.727 -0.560 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.545 0.678 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.773 0.694 -4.505 1.00 0.00 H new ATOM 274 N CYS A 32 5.525 3.553 -6.188 1.00 0.00 N ATOM 275 CA CYS A 32 4.140 3.787 -5.842 1.00 0.00 C ATOM 276 C CYS A 32 3.310 2.602 -6.314 1.00 0.00 C ATOM 277 O CYS A 32 3.285 2.285 -7.504 1.00 0.00 O ATOM 278 CB CYS A 32 3.659 5.097 -6.483 1.00 0.00 C ATOM 279 SG CYS A 32 1.994 5.027 -7.231 1.00 0.00 S ATOM 0 H CYS A 32 5.735 3.683 -7.178 1.00 0.00 H new ATOM 0 HA CYS A 32 4.030 3.885 -4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.667 5.879 -5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.374 5.391 -7.252 1.00 0.00 H new ATOM 0 HG CYS A 32 1.606 6.229 -7.539 1.00 0.00 H new ATOM 284 N ILE A 33 2.668 1.919 -5.385 1.00 0.00 N ATOM 285 CA ILE A 33 1.920 0.722 -5.723 1.00 0.00 C ATOM 286 C ILE A 33 0.493 0.810 -5.213 1.00 0.00 C ATOM 287 O ILE A 33 0.213 1.508 -4.236 1.00 0.00 O ATOM 288 CB ILE A 33 2.584 -0.552 -5.153 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.887 -0.385 -3.663 1.00 0.00 C ATOM 290 CG2 ILE A 33 3.856 -0.876 -5.921 1.00 0.00 C ATOM 291 CD1 ILE A 33 2.322 -1.495 -2.807 1.00 0.00 C ATOM 0 H ILE A 33 2.649 2.170 -4.397 1.00 0.00 H new ATOM 0 HA ILE A 33 1.914 0.654 -6.811 1.00 0.00 H new ATOM 0 HB ILE A 33 1.887 -1.382 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.967 -0.342 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.483 0.568 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.312 -1.776 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.615 -1.041 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.555 -0.044 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.574 -1.313 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.238 -1.525 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.746 -2.449 -3.122 1.00 0.00 H new ATOM 476 N LEU A 46 -7.780 1.619 2.545 1.00 0.00 N ATOM 477 CA LEU A 46 -7.507 2.053 3.911 1.00 0.00 C ATOM 478 C LEU A 46 -6.514 1.148 4.636 1.00 0.00 C ATOM 479 O LEU A 46 -5.482 1.616 5.099 1.00 0.00 O ATOM 480 CB LEU A 46 -8.808 2.152 4.710 1.00 0.00 C ATOM 481 CG LEU A 46 -9.239 3.577 5.076 1.00 0.00 C ATOM 482 CD1 LEU A 46 -8.170 4.256 5.900 1.00 0.00 C ATOM 483 CD2 LEU A 46 -9.514 4.393 3.829 1.00 0.00 C ATOM 0 HA LEU A 46 -7.045 3.038 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.606 1.684 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.697 1.575 5.628 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.156 3.511 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.492 5.267 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.003 3.690 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.244 4.302 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.818 5.400 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.611 4.445 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.311 3.922 3.254 1.00 0.00 H new ATOM 495 N TYR A 47 -6.826 -0.133 4.734 1.00 0.00 N ATOM 496 CA TYR A 47 -6.037 -1.042 5.550 1.00 0.00 C ATOM 497 C TYR A 47 -4.993 -1.798 4.736 1.00 0.00 C ATOM 498 O TYR A 47 -5.326 -2.521 3.794 1.00 0.00 O ATOM 499 CB TYR A 47 -6.951 -2.036 6.260 1.00 0.00 C ATOM 500 CG TYR A 47 -6.375 -2.558 7.555 1.00 0.00 C ATOM 501 CD1 TYR A 47 -6.336 -1.757 8.687 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.862 -3.846 7.646 1.00 0.00 C ATOM 503 CE1 TYR A 47 -5.807 -2.220 9.872 1.00 0.00 C ATOM 504 CE2 TYR A 47 -5.330 -4.321 8.830 1.00 0.00 C ATOM 505 CZ TYR A 47 -5.306 -3.502 9.942 1.00 0.00 C ATOM 506 OH TYR A 47 -4.784 -3.964 11.130 1.00 0.00 O ATOM 0 H TYR A 47 -7.618 -0.567 4.260 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.506 -0.434 6.282 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.909 -1.557 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.150 -2.876 5.594 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.728 -0.752 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.879 -4.487 6.777 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.785 -1.581 10.742 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.936 -5.325 8.885 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.474 -4.886 11.014 1.00 0.00 H new ATOM 516 N ALA A 48 -3.733 -1.626 5.115 1.00 0.00 N ATOM 517 CA ALA A 48 -2.636 -2.382 4.529 1.00 0.00 C ATOM 518 C ALA A 48 -1.484 -2.483 5.519 1.00 0.00 C ATOM 519 O ALA A 48 -1.028 -1.472 6.053 1.00 0.00 O ATOM 520 CB ALA A 48 -2.168 -1.735 3.234 1.00 0.00 C ATOM 0 H ALA A 48 -3.445 -0.962 5.834 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.991 -3.386 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.348 -2.316 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.994 -1.705 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.827 -0.720 3.437 1.00 0.00 H new ATOM 526 N VAL A 49 -1.032 -3.702 5.782 1.00 0.00 N ATOM 527 CA VAL A 49 0.080 -3.922 6.697 1.00 0.00 C ATOM 528 C VAL A 49 1.292 -4.461 5.944 1.00 0.00 C ATOM 529 O VAL A 49 1.220 -5.503 5.296 1.00 0.00 O ATOM 530 CB VAL A 49 -0.299 -4.887 7.853 1.00 0.00 C ATOM 531 CG1 VAL A 49 -1.098 -6.079 7.345 1.00 0.00 C ATOM 532 CG2 VAL A 49 0.942 -5.349 8.609 1.00 0.00 C ATOM 0 H VAL A 49 -1.418 -4.554 5.375 1.00 0.00 H new ATOM 0 HA VAL A 49 0.329 -2.957 7.139 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.933 -4.334 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.346 -6.733 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.016 -5.728 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.505 -6.631 6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.648 -6.024 9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.612 -5.870 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.454 -4.484 9.030 1.00 0.00 H new ATOM 542 N LEU A 50 2.400 -3.748 6.028 1.00 0.00 N ATOM 543 CA LEU A 50 3.600 -4.130 5.302 1.00 0.00 C ATOM 544 C LEU A 50 4.559 -4.898 6.195 1.00 0.00 C ATOM 545 O LEU A 50 4.963 -4.406 7.249 1.00 0.00 O ATOM 546 CB LEU A 50 4.297 -2.894 4.736 1.00 0.00 C ATOM 547 CG LEU A 50 5.547 -3.178 3.903 1.00 0.00 C ATOM 548 CD1 LEU A 50 5.313 -2.809 2.448 1.00 0.00 C ATOM 549 CD2 LEU A 50 6.742 -2.422 4.464 1.00 0.00 C ATOM 0 H LEU A 50 2.495 -2.902 6.590 1.00 0.00 H new ATOM 0 HA LEU A 50 3.299 -4.779 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.585 -2.345 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.572 -2.240 5.564 1.00 0.00 H new ATOM 0 HG LEU A 50 5.762 -4.245 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.213 -3.018 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.484 -3.396 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.074 -1.748 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.624 -2.635 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.538 -1.352 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.922 -2.737 5.492 1.00 0.00 H new ATOM 561 N HIS A 51 4.897 -6.111 5.771 1.00 0.00 N ATOM 562 CA HIS A 51 5.922 -6.911 6.429 1.00 0.00 C ATOM 563 C HIS A 51 7.284 -6.557 5.834 1.00 0.00 C ATOM 564 O HIS A 51 7.352 -5.925 4.780 1.00 0.00 O ATOM 565 CB HIS A 51 5.640 -8.410 6.266 1.00 0.00 C ATOM 566 CG HIS A 51 4.434 -8.884 7.023 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.387 -8.965 8.399 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.225 -9.308 6.584 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.203 -9.419 8.770 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.480 -9.632 7.689 1.00 0.00 N ATOM 0 H HIS A 51 4.469 -6.566 4.964 1.00 0.00 H new ATOM 0 HA HIS A 51 5.917 -6.690 7.496 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.504 -8.632 5.208 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.512 -8.973 6.600 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.147 -8.714 9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.907 -9.378 5.554 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.882 -9.587 9.787 1.00 0.00 H new ATOM 579 N SER A 52 8.355 -6.985 6.483 1.00 0.00 N ATOM 580 CA SER A 52 9.688 -6.492 6.155 1.00 0.00 C ATOM 581 C SER A 52 10.433 -7.365 5.136 1.00 0.00 C ATOM 582 O SER A 52 9.915 -8.376 4.653 1.00 0.00 O ATOM 583 CB SER A 52 10.504 -6.375 7.432 1.00 0.00 C ATOM 584 OG SER A 52 9.654 -6.327 8.568 1.00 0.00 O ATOM 0 H SER A 52 8.330 -7.670 7.238 1.00 0.00 H new ATOM 0 HA SER A 52 9.561 -5.517 5.684 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.183 -7.224 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.120 -5.477 7.395 1.00 0.00 H new ATOM 0 HG SER A 52 10.197 -6.253 9.380 1.00 0.00 H new ATOM 590 N THR A 53 11.666 -6.948 4.844 1.00 0.00 N ATOM 591 CA THR A 53 12.497 -7.547 3.811 1.00 0.00 C ATOM 592 C THR A 53 13.338 -8.718 4.334 1.00 0.00 C ATOM 593 O THR A 53 12.806 -9.746 4.749 1.00 0.00 O ATOM 594 CB THR A 53 13.436 -6.476 3.210 1.00 0.00 C ATOM 595 OG1 THR A 53 14.220 -5.872 4.247 1.00 0.00 O ATOM 596 CG2 THR A 53 12.648 -5.390 2.509 1.00 0.00 C ATOM 0 H THR A 53 12.118 -6.172 5.329 1.00 0.00 H new ATOM 0 HA THR A 53 11.824 -7.940 3.049 1.00 0.00 H new ATOM 0 HB THR A 53 14.083 -6.973 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.940 -5.341 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.335 -4.651 2.096 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.061 -5.829 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.981 -4.907 3.222 1.00 0.00 H new ATOM 604 N ASN A 54 14.654 -8.538 4.325 1.00 0.00 N ATOM 605 CA ASN A 54 15.594 -9.604 4.644 1.00 0.00 C ATOM 606 C ASN A 54 16.435 -9.236 5.869 1.00 0.00 C ATOM 607 O ASN A 54 15.886 -8.989 6.943 1.00 0.00 O ATOM 608 CB ASN A 54 16.494 -9.895 3.430 1.00 0.00 C ATOM 609 CG ASN A 54 17.030 -8.635 2.767 1.00 0.00 C ATOM 610 OD1 ASN A 54 18.045 -8.083 3.184 1.00 0.00 O ATOM 611 ND2 ASN A 54 16.350 -8.170 1.731 1.00 0.00 N ATOM 0 H ASN A 54 15.098 -7.649 4.096 1.00 0.00 H new ATOM 0 HA ASN A 54 15.031 -10.506 4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.332 -10.516 3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.930 -10.472 2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 54 16.665 -7.327 1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 54 15.511 -8.655 1.412 1.00 0.00 H new ATOM 618 N VAL A 55 17.759 -9.196 5.707 1.00 0.00 N ATOM 619 CA VAL A 55 18.667 -8.851 6.798 1.00 0.00 C ATOM 620 C VAL A 55 18.433 -7.416 7.260 1.00 0.00 C ATOM 621 O VAL A 55 17.962 -7.174 8.374 1.00 0.00 O ATOM 622 CB VAL A 55 20.148 -8.993 6.384 1.00 0.00 C ATOM 623 CG1 VAL A 55 21.001 -9.375 7.580 1.00 0.00 C ATOM 624 CG2 VAL A 55 20.314 -10.006 5.262 1.00 0.00 C ATOM 0 H VAL A 55 18.227 -9.400 4.824 1.00 0.00 H new ATOM 0 HA VAL A 55 18.457 -9.549 7.609 1.00 0.00 H new ATOM 0 HB VAL A 55 20.485 -8.026 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 55 22.041 -9.471 7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.920 -8.603 8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.655 -10.326 7.985 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.368 -10.083 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.952 -10.979 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 55 19.741 -9.683 4.393 1.00 0.00 H new ATOM 634 N ASN A 56 18.762 -6.467 6.398 1.00 0.00 N ATOM 635 CA ASN A 56 18.547 -5.063 6.704 1.00 0.00 C ATOM 636 C ASN A 56 17.203 -4.612 6.154 1.00 0.00 C ATOM 637 O ASN A 56 17.048 -4.357 4.956 1.00 0.00 O ATOM 638 CB ASN A 56 19.686 -4.176 6.161 1.00 0.00 C ATOM 639 CG ASN A 56 19.886 -4.278 4.658 1.00 0.00 C ATOM 640 OD1 ASN A 56 20.149 -5.356 4.127 1.00 0.00 O ATOM 641 ND2 ASN A 56 19.772 -3.154 3.961 1.00 0.00 N ATOM 0 H ASN A 56 19.178 -6.643 5.483 1.00 0.00 H new ATOM 0 HA ASN A 56 18.544 -4.952 7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.479 -3.138 6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 56 20.615 -4.450 6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 56 19.904 -3.166 2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 56 19.553 -2.279 4.437 1.00 0.00 H new ATOM 648 N ALA A 57 16.218 -4.528 7.034 1.00 0.00 N ATOM 649 CA ALA A 57 14.897 -4.068 6.645 1.00 0.00 C ATOM 650 C ALA A 57 14.853 -2.550 6.674 1.00 0.00 C ATOM 651 O ALA A 57 13.987 -1.944 7.308 1.00 0.00 O ATOM 652 CB ALA A 57 13.827 -4.659 7.546 1.00 0.00 C ATOM 0 H ALA A 57 16.309 -4.772 8.020 1.00 0.00 H new ATOM 0 HA ALA A 57 14.694 -4.407 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.847 -4.298 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.852 -5.746 7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.012 -4.357 8.577 1.00 0.00 H new ATOM 658 N ASP A 58 15.818 -1.947 5.999 1.00 0.00 N ATOM 659 CA ASP A 58 15.935 -0.503 5.925 1.00 0.00 C ATOM 660 C ASP A 58 14.940 0.033 4.910 1.00 0.00 C ATOM 661 O ASP A 58 15.293 0.349 3.779 1.00 0.00 O ATOM 662 CB ASP A 58 17.366 -0.113 5.536 1.00 0.00 C ATOM 663 CG ASP A 58 17.813 1.190 6.162 1.00 0.00 C ATOM 664 OD1 ASP A 58 16.948 2.003 6.544 1.00 0.00 O ATOM 665 OD2 ASP A 58 19.040 1.412 6.268 1.00 0.00 O ATOM 0 H ASP A 58 16.543 -2.448 5.486 1.00 0.00 H new ATOM 0 HA ASP A 58 15.714 -0.068 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.048 -0.908 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.432 -0.030 4.451 1.00 0.00 H new ATOM 670 N MET A 59 13.687 0.107 5.312 1.00 0.00 N ATOM 671 CA MET A 59 12.630 0.542 4.421 1.00 0.00 C ATOM 672 C MET A 59 11.658 1.451 5.147 1.00 0.00 C ATOM 673 O MET A 59 11.125 1.103 6.201 1.00 0.00 O ATOM 674 CB MET A 59 11.883 -0.658 3.840 1.00 0.00 C ATOM 675 CG MET A 59 10.658 -0.270 3.028 1.00 0.00 C ATOM 676 SD MET A 59 9.620 -1.686 2.619 1.00 0.00 S ATOM 677 CE MET A 59 10.791 -2.705 1.728 1.00 0.00 C ATOM 0 H MET A 59 13.375 -0.130 6.254 1.00 0.00 H new ATOM 0 HA MET A 59 13.089 1.098 3.604 1.00 0.00 H new ATOM 0 HB2 MET A 59 12.563 -1.229 3.208 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.577 -1.315 4.654 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.070 0.457 3.589 1.00 0.00 H new ATOM 0 HG3 MET A 59 10.977 0.220 2.108 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.568 -3.757 1.907 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.718 -2.495 0.661 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.801 -2.484 2.073 1.00 0.00 H new ATOM 687 N THR A 60 11.436 2.617 4.578 1.00 0.00 N ATOM 688 CA THR A 60 10.479 3.553 5.118 1.00 0.00 C ATOM 689 C THR A 60 9.134 3.381 4.417 1.00 0.00 C ATOM 690 O THR A 60 9.000 3.696 3.231 1.00 0.00 O ATOM 691 CB THR A 60 10.986 4.998 4.947 1.00 0.00 C ATOM 692 OG1 THR A 60 12.392 4.983 4.635 1.00 0.00 O ATOM 693 CG2 THR A 60 10.755 5.810 6.213 1.00 0.00 C ATOM 0 H THR A 60 11.911 2.939 3.735 1.00 0.00 H new ATOM 0 HA THR A 60 10.354 3.354 6.182 1.00 0.00 H new ATOM 0 HB THR A 60 10.431 5.463 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.815 5.790 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.122 6.826 6.066 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.689 5.838 6.438 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.289 5.348 7.044 1.00 0.00 H new ATOM 701 N LEU A 61 8.146 2.864 5.139 1.00 0.00 N ATOM 702 CA LEU A 61 6.835 2.633 4.560 1.00 0.00 C ATOM 703 C LEU A 61 6.036 3.923 4.596 1.00 0.00 C ATOM 704 O LEU A 61 5.891 4.546 5.647 1.00 0.00 O ATOM 705 CB LEU A 61 6.100 1.518 5.312 1.00 0.00 C ATOM 706 CG LEU A 61 4.637 1.315 4.914 1.00 0.00 C ATOM 707 CD1 LEU A 61 4.530 0.771 3.497 1.00 0.00 C ATOM 708 CD2 LEU A 61 3.942 0.389 5.899 1.00 0.00 C ATOM 0 H LEU A 61 8.230 2.599 6.120 1.00 0.00 H new ATOM 0 HA LEU A 61 6.952 2.314 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.635 0.582 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.142 1.733 6.380 1.00 0.00 H new ATOM 0 HG LEU A 61 4.139 2.284 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.480 0.635 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.988 1.475 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.046 -0.187 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.902 0.255 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.445 -0.578 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.980 0.825 6.897 1.00 0.00 H new ATOM 720 N ILE A 62 5.537 4.341 3.448 1.00 0.00 N ATOM 721 CA ILE A 62 4.862 5.614 3.356 1.00 0.00 C ATOM 722 C ILE A 62 3.481 5.462 2.740 1.00 0.00 C ATOM 723 O ILE A 62 3.276 4.701 1.790 1.00 0.00 O ATOM 724 CB ILE A 62 5.715 6.646 2.562 1.00 0.00 C ATOM 725 CG1 ILE A 62 6.272 7.699 3.518 1.00 0.00 C ATOM 726 CG2 ILE A 62 4.919 7.321 1.453 1.00 0.00 C ATOM 727 CD1 ILE A 62 7.753 7.551 3.793 1.00 0.00 C ATOM 0 H ILE A 62 5.588 3.819 2.573 1.00 0.00 H new ATOM 0 HA ILE A 62 4.735 5.993 4.370 1.00 0.00 H new ATOM 0 HB ILE A 62 6.533 6.102 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.086 8.689 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.729 7.643 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.557 8.032 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.561 6.567 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.068 7.848 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.076 8.334 4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.944 6.575 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.307 7.637 2.858 1.00 0.00 H new ATOM 739 N LEU A 63 2.534 6.167 3.323 1.00 0.00 N ATOM 740 CA LEU A 63 1.199 6.256 2.785 1.00 0.00 C ATOM 741 C LEU A 63 1.045 7.600 2.108 1.00 0.00 C ATOM 742 O LEU A 63 1.311 8.640 2.712 1.00 0.00 O ATOM 743 CB LEU A 63 0.164 6.097 3.889 1.00 0.00 C ATOM 744 CG LEU A 63 -0.960 5.136 3.562 1.00 0.00 C ATOM 745 CD1 LEU A 63 -1.922 5.032 4.729 1.00 0.00 C ATOM 746 CD2 LEU A 63 -1.674 5.578 2.298 1.00 0.00 C ATOM 0 H LEU A 63 2.672 6.694 4.185 1.00 0.00 H new ATOM 0 HA LEU A 63 1.040 5.455 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.666 5.755 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.264 7.074 4.112 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.541 4.146 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.724 4.338 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.390 4.669 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.345 6.014 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.480 4.880 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.088 6.576 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.967 5.596 1.468 1.00 0.00 H new ATOM 758 N LEU A 64 0.623 7.588 0.862 1.00 0.00 N ATOM 759 CA LEU A 64 0.692 8.778 0.057 1.00 0.00 C ATOM 760 C LEU A 64 -0.645 9.176 -0.529 1.00 0.00 C ATOM 761 O LEU A 64 -1.491 8.339 -0.829 1.00 0.00 O ATOM 762 CB LEU A 64 1.670 8.547 -1.084 1.00 0.00 C ATOM 763 CG LEU A 64 2.909 9.425 -1.069 1.00 0.00 C ATOM 764 CD1 LEU A 64 4.021 8.748 -1.845 1.00 0.00 C ATOM 765 CD2 LEU A 64 2.595 10.792 -1.651 1.00 0.00 C ATOM 0 H LEU A 64 0.232 6.772 0.391 1.00 0.00 H new ATOM 0 HA LEU A 64 1.018 9.587 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.985 7.504 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.146 8.704 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 64 3.238 9.567 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.909 9.379 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.253 7.787 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.702 8.590 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.493 11.410 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.252 10.680 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.815 11.269 -1.058 1.00 0.00 H new ATOM 777 N ARG A 65 -0.820 10.474 -0.654 1.00 0.00 N ATOM 778 CA ARG A 65 -1.755 11.032 -1.595 1.00 0.00 C ATOM 779 C ARG A 65 -1.173 12.345 -2.088 1.00 0.00 C ATOM 780 O ARG A 65 -1.122 13.341 -1.368 1.00 0.00 O ATOM 781 CB ARG A 65 -3.160 11.211 -0.998 1.00 0.00 C ATOM 782 CG ARG A 65 -3.244 12.152 0.195 1.00 0.00 C ATOM 783 CD ARG A 65 -4.305 13.219 -0.021 1.00 0.00 C ATOM 784 NE ARG A 65 -5.445 13.059 0.885 1.00 0.00 N ATOM 785 CZ ARG A 65 -6.042 14.073 1.511 1.00 0.00 C ATOM 786 NH1 ARG A 65 -5.584 15.309 1.352 1.00 0.00 N ATOM 787 NH2 ARG A 65 -7.087 13.849 2.306 1.00 0.00 N ATOM 0 H ARG A 65 -0.316 11.169 -0.104 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.893 10.343 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.824 11.581 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.536 10.233 -0.696 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.475 11.583 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.276 12.626 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.862 14.204 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.655 13.177 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.802 12.117 1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.777 15.481 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.039 16.087 1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.433 12.899 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.541 14.628 2.783 1.00 0.00 H new ATOM 801 N ASN A 66 -0.688 12.312 -3.307 1.00 0.00 N ATOM 802 CA ASN A 66 -0.014 13.445 -3.903 1.00 0.00 C ATOM 803 C ASN A 66 -0.587 13.685 -5.280 1.00 0.00 C ATOM 804 O ASN A 66 -0.376 12.889 -6.195 1.00 0.00 O ATOM 805 CB ASN A 66 1.490 13.176 -3.982 1.00 0.00 C ATOM 806 CG ASN A 66 2.251 14.268 -4.698 1.00 0.00 C ATOM 807 OD1 ASN A 66 2.295 14.189 -6.017 1.00 0.00 O flip ATOM 808 ND2 ASN A 66 2.808 15.164 -4.068 1.00 0.00 N flip ATOM 0 H ASN A 66 -0.749 11.497 -3.917 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.167 14.334 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.887 13.067 -2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.657 12.229 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.747 15.185 -3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.331 15.886 -4.563 1.00 0.00 H new ATOM 815 N VAL A 67 -1.312 14.768 -5.429 1.00 0.00 N ATOM 816 CA VAL A 67 -2.054 14.994 -6.644 1.00 0.00 C ATOM 817 C VAL A 67 -1.955 16.452 -7.094 1.00 0.00 C ATOM 818 O VAL A 67 -2.522 16.846 -8.114 1.00 0.00 O ATOM 819 CB VAL A 67 -3.519 14.558 -6.444 1.00 0.00 C ATOM 820 CG1 VAL A 67 -4.324 15.631 -5.724 1.00 0.00 C ATOM 821 CG2 VAL A 67 -4.162 14.186 -7.769 1.00 0.00 C ATOM 0 H VAL A 67 -1.403 15.503 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.619 14.391 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.517 13.670 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.352 15.292 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.883 15.821 -4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.314 16.549 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.195 13.882 -7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.142 15.047 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.611 13.362 -8.222 1.00 0.00 H new ATOM 831 N GLY A 68 -1.216 17.249 -6.334 1.00 0.00 N ATOM 832 CA GLY A 68 -0.983 18.624 -6.723 1.00 0.00 C ATOM 833 C GLY A 68 0.170 18.737 -7.697 1.00 0.00 C ATOM 834 O GLY A 68 0.296 19.725 -8.424 1.00 0.00 O ATOM 0 H GLY A 68 -0.775 16.968 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.886 19.033 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.772 19.223 -5.837 1.00 0.00 H new ATOM 838 N GLY A 69 1.008 17.714 -7.710 1.00 0.00 N ATOM 839 CA GLY A 69 2.130 17.674 -8.618 1.00 0.00 C ATOM 840 C GLY A 69 2.355 16.277 -9.144 1.00 0.00 C ATOM 841 O GLY A 69 1.951 15.306 -8.506 1.00 0.00 O ATOM 0 H GLY A 69 0.928 16.901 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.952 18.355 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.028 18.022 -8.107 1.00 0.00 H new ATOM 845 N ASN A 70 2.993 16.159 -10.294 1.00 0.00 N ATOM 846 CA ASN A 70 3.219 14.854 -10.902 1.00 0.00 C ATOM 847 C ASN A 70 4.483 14.209 -10.347 1.00 0.00 C ATOM 848 O ASN A 70 5.459 13.995 -11.064 1.00 0.00 O ATOM 849 CB ASN A 70 3.300 14.971 -12.425 1.00 0.00 C ATOM 850 CG ASN A 70 2.122 14.307 -13.110 1.00 0.00 C ATOM 851 OD1 ASN A 70 1.047 14.896 -13.237 1.00 0.00 O ATOM 852 ND2 ASN A 70 2.316 13.079 -13.563 1.00 0.00 N ATOM 0 H ASN A 70 3.364 16.946 -10.827 1.00 0.00 H new ATOM 0 HA ASN A 70 2.372 14.215 -10.653 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.336 16.023 -12.706 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.226 14.515 -12.775 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.560 12.585 -14.038 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.221 12.626 -13.438 1.00 0.00 H new ATOM 859 N GLY A 71 4.450 13.913 -9.057 1.00 0.00 N ATOM 860 CA GLY A 71 5.571 13.289 -8.387 1.00 0.00 C ATOM 861 C GLY A 71 5.251 13.026 -6.933 1.00 0.00 C ATOM 862 O GLY A 71 5.153 13.960 -6.141 1.00 0.00 O ATOM 0 H GLY A 71 3.650 14.098 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.821 12.352 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.448 13.932 -8.460 1.00 0.00 H new ATOM 866 N TRP A 72 5.057 11.756 -6.594 1.00 0.00 N ATOM 867 CA TRP A 72 4.638 11.369 -5.249 1.00 0.00 C ATOM 868 C TRP A 72 5.651 11.811 -4.195 1.00 0.00 C ATOM 869 O TRP A 72 6.797 11.361 -4.184 1.00 0.00 O ATOM 870 CB TRP A 72 4.436 9.853 -5.160 1.00 0.00 C ATOM 871 CG TRP A 72 3.417 9.318 -6.119 1.00 0.00 C ATOM 872 CD1 TRP A 72 3.669 8.645 -7.276 1.00 0.00 C ATOM 873 CD2 TRP A 72 1.988 9.389 -5.997 1.00 0.00 C ATOM 874 NE1 TRP A 72 2.492 8.314 -7.892 1.00 0.00 N ATOM 875 CE2 TRP A 72 1.447 8.748 -7.127 1.00 0.00 C ATOM 876 CE3 TRP A 72 1.108 9.933 -5.053 1.00 0.00 C ATOM 877 CZ2 TRP A 72 0.077 8.634 -7.338 1.00 0.00 C ATOM 878 CZ3 TRP A 72 -0.255 9.811 -5.262 1.00 0.00 C ATOM 879 CH2 TRP A 72 -0.757 9.167 -6.396 1.00 0.00 C ATOM 0 H TRP A 72 5.184 10.973 -7.235 1.00 0.00 H new ATOM 0 HA TRP A 72 3.692 11.872 -5.050 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.389 9.358 -5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.135 9.596 -4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.653 8.407 -7.652 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.409 7.821 -8.781 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.486 10.439 -4.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.314 8.141 -8.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -0.942 10.221 -4.536 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.826 9.089 -6.531 1.00 0.00 H new ATOM 890 N GLY A 73 5.215 12.704 -3.315 1.00 0.00 N ATOM 891 CA GLY A 73 6.058 13.158 -2.230 1.00 0.00 C ATOM 892 C GLY A 73 5.897 12.302 -0.990 1.00 0.00 C ATOM 893 O GLY A 73 5.600 11.119 -1.084 1.00 0.00 O ATOM 0 H GLY A 73 4.285 13.123 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.100 13.141 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.814 14.193 -1.990 1.00 0.00 H new ATOM 897 N GLU A 74 6.130 12.883 0.172 1.00 0.00 N ATOM 898 CA GLU A 74 5.886 12.193 1.426 1.00 0.00 C ATOM 899 C GLU A 74 4.578 12.671 2.065 1.00 0.00 C ATOM 900 O GLU A 74 4.219 13.848 1.960 1.00 0.00 O ATOM 901 CB GLU A 74 7.078 12.385 2.380 1.00 0.00 C ATOM 902 CG GLU A 74 6.994 13.622 3.268 1.00 0.00 C ATOM 903 CD GLU A 74 7.284 14.921 2.532 1.00 0.00 C ATOM 904 OE1 GLU A 74 7.583 14.881 1.319 1.00 0.00 O ATOM 905 OE2 GLU A 74 7.196 15.991 3.165 1.00 0.00 O ATOM 0 H GLU A 74 6.488 13.832 0.274 1.00 0.00 H new ATOM 0 HA GLU A 74 5.782 11.127 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.162 11.504 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.993 12.440 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.998 13.677 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.699 13.516 4.092 1.00 0.00 H new ATOM 912 N ILE A 75 3.854 11.748 2.698 1.00 0.00 N ATOM 913 CA ILE A 75 2.633 12.092 3.425 1.00 0.00 C ATOM 914 C ILE A 75 2.633 11.411 4.799 1.00 0.00 C ATOM 915 O ILE A 75 3.110 11.982 5.780 1.00 0.00 O ATOM 916 CB ILE A 75 1.351 11.702 2.635 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.302 12.434 1.286 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.091 12.002 3.444 1.00 0.00 C ATOM 919 CD1 ILE A 75 0.952 13.904 1.396 1.00 0.00 C ATOM 0 H ILE A 75 4.092 10.756 2.722 1.00 0.00 H new ATOM 0 HA ILE A 75 2.620 13.175 3.552 1.00 0.00 H new ATOM 0 HB ILE A 75 1.389 10.628 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.271 12.337 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.570 11.944 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.789 11.719 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.112 11.434 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.049 13.067 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.938 14.350 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.030 14.011 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.697 14.410 2.010 1.00 0.00 H new ATOM 931 N LYS A 76 2.114 10.189 4.866 1.00 0.00 N ATOM 932 CA LYS A 76 2.070 9.444 6.115 1.00 0.00 C ATOM 933 C LYS A 76 3.195 8.419 6.144 1.00 0.00 C ATOM 934 O LYS A 76 3.523 7.832 5.122 1.00 0.00 O ATOM 935 CB LYS A 76 0.717 8.751 6.270 1.00 0.00 C ATOM 936 CG LYS A 76 0.273 8.592 7.714 1.00 0.00 C ATOM 937 CD LYS A 76 -0.433 7.263 7.935 1.00 0.00 C ATOM 938 CE LYS A 76 0.372 6.348 8.840 1.00 0.00 C ATOM 939 NZ LYS A 76 -0.252 6.205 10.181 1.00 0.00 N ATOM 0 H LYS A 76 1.718 9.695 4.067 1.00 0.00 H new ATOM 0 HA LYS A 76 2.201 10.137 6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.037 9.321 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.768 7.767 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.139 8.659 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.396 9.410 7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.414 7.440 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.598 6.774 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.463 5.366 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.382 6.743 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.328 5.573 10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.316 7.138 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.206 5.804 10.079 1.00 0.00 H new ATOM 953 N ARG A 77 3.786 8.206 7.304 1.00 0.00 N ATOM 954 CA ARG A 77 4.893 7.271 7.419 1.00 0.00 C ATOM 955 C ARG A 77 4.606 6.201 8.468 1.00 0.00 C ATOM 956 O ARG A 77 3.976 6.472 9.492 1.00 0.00 O ATOM 957 CB ARG A 77 6.174 8.030 7.767 1.00 0.00 C ATOM 958 CG ARG A 77 7.328 7.139 8.200 1.00 0.00 C ATOM 959 CD ARG A 77 8.049 7.716 9.407 1.00 0.00 C ATOM 960 NE ARG A 77 8.770 8.936 9.064 1.00 0.00 N ATOM 961 CZ ARG A 77 10.074 9.110 9.256 1.00 0.00 C ATOM 962 NH1 ARG A 77 10.786 8.196 9.905 1.00 0.00 N ATOM 963 NH2 ARG A 77 10.661 10.221 8.832 1.00 0.00 N ATOM 0 H ARG A 77 3.522 8.664 8.176 1.00 0.00 H new ATOM 0 HA ARG A 77 5.021 6.768 6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.485 8.612 6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.957 8.739 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.952 6.144 8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.031 7.024 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.328 7.928 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.747 6.978 9.803 1.00 0.00 H new ATOM 0 HE ARG A 77 8.241 9.704 8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.333 7.354 10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.786 8.336 10.049 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.112 10.940 8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.661 10.357 8.978 1.00 0.00 H new ATOM 977 N ASN A 78 5.060 4.988 8.184 1.00 0.00 N ATOM 978 CA ASN A 78 4.979 3.882 9.125 1.00 0.00 C ATOM 979 C ASN A 78 6.251 3.048 9.050 1.00 0.00 C ATOM 980 O ASN A 78 6.989 3.110 8.060 1.00 0.00 O ATOM 981 CB ASN A 78 3.763 3.000 8.831 1.00 0.00 C ATOM 982 CG ASN A 78 2.746 3.032 9.952 1.00 0.00 C ATOM 983 OD1 ASN A 78 1.739 3.736 9.872 1.00 0.00 O ATOM 984 ND2 ASN A 78 2.992 2.266 11.002 1.00 0.00 N ATOM 0 H ASN A 78 5.495 4.744 7.294 1.00 0.00 H new ATOM 0 HA ASN A 78 4.870 4.293 10.129 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.291 3.332 7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.092 1.973 8.671 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.336 2.245 11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.838 1.697 11.031 1.00 0.00 H new ATOM 991 N ASP A 79 6.519 2.287 10.100 1.00 0.00 N ATOM 992 CA ASP A 79 7.686 1.417 10.137 1.00 0.00 C ATOM 993 C ASP A 79 7.373 0.057 9.533 1.00 0.00 C ATOM 994 O ASP A 79 6.290 -0.164 8.988 1.00 0.00 O ATOM 995 CB ASP A 79 8.196 1.231 11.569 1.00 0.00 C ATOM 996 CG ASP A 79 7.100 0.873 12.551 1.00 0.00 C ATOM 997 OD1 ASP A 79 6.243 1.737 12.841 1.00 0.00 O ATOM 998 OD2 ASP A 79 7.100 -0.268 13.052 1.00 0.00 O ATOM 0 H ASP A 79 5.942 2.254 10.941 1.00 0.00 H new ATOM 0 HA ASP A 79 8.464 1.900 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.954 0.448 11.579 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.683 2.150 11.897 1.00 0.00 H new ATOM 1003 N ILE A 80 8.329 -0.850 9.650 1.00 0.00 N ATOM 1004 CA ILE A 80 8.202 -2.180 9.082 1.00 0.00 C ATOM 1005 C ILE A 80 7.345 -3.074 9.964 1.00 0.00 C ATOM 1006 O ILE A 80 7.307 -2.912 11.187 1.00 0.00 O ATOM 1007 CB ILE A 80 9.581 -2.841 8.878 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.556 -2.399 9.975 1.00 0.00 C ATOM 1009 CG2 ILE A 80 10.132 -2.499 7.501 1.00 0.00 C ATOM 1010 CD1 ILE A 80 11.714 -3.350 10.182 1.00 0.00 C ATOM 0 H ILE A 80 9.209 -0.686 10.138 1.00 0.00 H new ATOM 0 HA ILE A 80 7.719 -2.064 8.112 1.00 0.00 H new ATOM 0 HB ILE A 80 9.461 -3.922 8.943 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.948 -1.413 9.724 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.010 -2.296 10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.105 -2.972 7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.447 -2.862 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.239 -1.418 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.360 -2.970 10.973 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.333 -4.331 10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.285 -3.435 9.257 1.00 0.00 H new ATOM 1022 N ASP A 81 6.652 -4.006 9.322 1.00 0.00 N ATOM 1023 CA ASP A 81 5.763 -4.947 9.999 1.00 0.00 C ATOM 1024 C ASP A 81 4.656 -4.209 10.733 1.00 0.00 C ATOM 1025 O ASP A 81 4.305 -4.539 11.869 1.00 0.00 O ATOM 1026 CB ASP A 81 6.528 -5.864 10.953 1.00 0.00 C ATOM 1027 CG ASP A 81 6.000 -7.280 10.906 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.283 -7.993 9.919 1.00 0.00 O ATOM 1029 OD2 ASP A 81 5.287 -7.686 11.846 1.00 0.00 O ATOM 0 H ASP A 81 6.690 -4.133 8.311 1.00 0.00 H new ATOM 0 HA ASP A 81 5.310 -5.577 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.586 -5.861 10.692 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.450 -5.479 11.970 1.00 0.00 H new ATOM 1034 N LYS A 82 4.115 -3.196 10.074 1.00 0.00 N ATOM 1035 CA LYS A 82 3.034 -2.408 10.644 1.00 0.00 C ATOM 1036 C LYS A 82 2.051 -1.972 9.563 1.00 0.00 C ATOM 1037 O LYS A 82 2.431 -1.799 8.402 1.00 0.00 O ATOM 1038 CB LYS A 82 3.590 -1.186 11.378 1.00 0.00 C ATOM 1039 CG LYS A 82 3.500 -1.306 12.890 1.00 0.00 C ATOM 1040 CD LYS A 82 3.615 0.044 13.574 1.00 0.00 C ATOM 1041 CE LYS A 82 4.077 -0.107 15.013 1.00 0.00 C ATOM 1042 NZ LYS A 82 5.491 -0.565 15.102 1.00 0.00 N ATOM 0 H LYS A 82 4.408 -2.900 9.143 1.00 0.00 H new ATOM 0 HA LYS A 82 2.501 -3.034 11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.632 -1.041 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.045 -0.298 11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.552 -1.771 13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.292 -1.963 13.250 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.318 0.673 13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.650 0.550 13.550 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.972 0.847 15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.432 -0.820 15.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.525 -1.503 15.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.898 -0.624 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.040 0.111 15.671 1.00 0.00 H new ATOM 1056 N PRO A 83 0.767 -1.821 9.928 1.00 0.00 N ATOM 1057 CA PRO A 83 -0.278 -1.391 9.018 1.00 0.00 C ATOM 1058 C PRO A 83 -0.526 0.111 9.086 1.00 0.00 C ATOM 1059 O PRO A 83 -0.466 0.710 10.161 1.00 0.00 O ATOM 1060 CB PRO A 83 -1.509 -2.150 9.538 1.00 0.00 C ATOM 1061 CG PRO A 83 -1.165 -2.611 10.930 1.00 0.00 C ATOM 1062 CD PRO A 83 0.205 -2.076 11.254 1.00 0.00 C ATOM 0 HA PRO A 83 -0.027 -1.592 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.388 -1.505 9.548 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.743 -2.998 8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.900 -2.246 11.648 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.176 -3.699 10.988 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.154 -1.168 11.855 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.800 -2.797 11.815 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.806 0.716 7.944 1.00 0.00 N ATOM 1071 CA LEU A 84 -1.185 2.119 7.905 1.00 0.00 C ATOM 1072 C LEU A 84 -2.570 2.275 7.304 1.00 0.00 C ATOM 1073 O LEU A 84 -2.920 1.595 6.342 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.188 2.982 7.115 1.00 0.00 C ATOM 1075 CG LEU A 84 0.868 2.245 6.286 1.00 0.00 C ATOM 1076 CD1 LEU A 84 0.239 1.527 5.100 1.00 0.00 C ATOM 1077 CD2 LEU A 84 1.921 3.231 5.806 1.00 0.00 C ATOM 0 H LEU A 84 -0.778 0.259 7.033 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.181 2.471 8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.756 3.626 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.329 3.633 7.820 1.00 0.00 H new ATOM 0 HG LEU A 84 1.337 1.492 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.015 1.014 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.489 0.799 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.260 2.253 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.671 2.704 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.449 3.997 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.399 3.700 6.666 1.00 0.00 H new ATOM 1089 N LYS A 85 -3.356 3.149 7.901 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.657 3.509 7.362 1.00 0.00 C ATOM 1091 C LYS A 85 -4.625 4.955 6.874 1.00 0.00 C ATOM 1092 O LYS A 85 -4.092 5.828 7.562 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.737 3.340 8.429 1.00 0.00 C ATOM 1094 CG LYS A 85 -6.190 1.901 8.623 1.00 0.00 C ATOM 1095 CD LYS A 85 -7.707 1.796 8.695 1.00 0.00 C ATOM 1096 CE LYS A 85 -8.293 2.775 9.703 1.00 0.00 C ATOM 1097 NZ LYS A 85 -9.190 2.103 10.681 1.00 0.00 N ATOM 0 H LYS A 85 -3.115 3.628 8.768 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.890 2.851 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.360 3.723 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.600 3.949 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.821 1.289 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.753 1.502 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.132 1.990 7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.989 0.779 8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.483 3.273 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.849 3.549 9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.566 2.807 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.978 1.650 10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.654 1.382 11.205 1.00 0.00 H new ATOM 1111 N TYR A 86 -5.168 5.215 5.688 1.00 0.00 N ATOM 1112 CA TYR A 86 -5.161 6.571 5.155 1.00 0.00 C ATOM 1113 C TYR A 86 -6.476 7.297 5.422 1.00 0.00 C ATOM 1114 O TYR A 86 -7.518 6.942 4.879 1.00 0.00 O ATOM 1115 CB TYR A 86 -4.803 6.614 3.660 1.00 0.00 C ATOM 1116 CG TYR A 86 -5.534 5.664 2.711 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -6.847 5.891 2.308 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -4.876 4.572 2.162 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -7.476 5.056 1.406 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -5.498 3.741 1.252 1.00 0.00 C ATOM 1121 CZ TYR A 86 -6.797 3.987 0.879 1.00 0.00 C ATOM 1122 OH TYR A 86 -7.424 3.156 -0.020 1.00 0.00 O ATOM 0 H TYR A 86 -5.610 4.518 5.088 1.00 0.00 H new ATOM 0 HA TYR A 86 -4.374 7.101 5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.972 7.631 3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.735 6.418 3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.385 6.737 2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.856 4.368 2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.499 5.244 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.965 2.900 0.834 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.767 2.367 0.449 1.00 0.00 H new ATOM 1132 N GLU A 87 -6.407 8.316 6.275 1.00 0.00 N ATOM 1133 CA GLU A 87 -7.573 9.120 6.629 1.00 0.00 C ATOM 1134 C GLU A 87 -8.587 8.271 7.395 1.00 0.00 C ATOM 1135 O GLU A 87 -8.308 7.802 8.501 1.00 0.00 O ATOM 1136 CB GLU A 87 -8.213 9.720 5.367 1.00 0.00 C ATOM 1137 CG GLU A 87 -8.737 11.134 5.540 1.00 0.00 C ATOM 1138 CD GLU A 87 -9.823 11.470 4.537 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -9.496 11.934 3.424 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -11.015 11.267 4.858 1.00 0.00 O ATOM 0 H GLU A 87 -5.546 8.606 6.738 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.251 9.939 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.477 9.714 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.035 9.077 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.129 11.253 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.914 11.840 5.432 1.00 0.00 H new ATOM 1147 N ASP A 88 -9.744 8.062 6.788 1.00 0.00 N ATOM 1148 CA ASP A 88 -10.801 7.259 7.376 1.00 0.00 C ATOM 1149 C ASP A 88 -11.767 6.836 6.283 1.00 0.00 C ATOM 1150 O ASP A 88 -11.489 7.029 5.101 1.00 0.00 O ATOM 1151 CB ASP A 88 -11.544 8.036 8.468 1.00 0.00 C ATOM 1152 CG ASP A 88 -12.058 7.133 9.570 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -13.108 6.486 9.375 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -11.417 7.065 10.638 1.00 0.00 O ATOM 0 H ASP A 88 -9.976 8.446 5.872 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.358 6.378 7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.877 8.784 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.381 8.574 8.022 1.00 0.00 H new ATOM 1159 N TYR A 89 -12.909 6.294 6.669 1.00 0.00 N ATOM 1160 CA TYR A 89 -13.887 5.819 5.704 1.00 0.00 C ATOM 1161 C TYR A 89 -14.829 6.942 5.294 1.00 0.00 C ATOM 1162 O TYR A 89 -15.860 6.711 4.666 1.00 0.00 O ATOM 1163 CB TYR A 89 -14.663 4.638 6.284 1.00 0.00 C ATOM 1164 CG TYR A 89 -13.809 3.404 6.449 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -13.474 2.619 5.355 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -13.321 3.035 7.696 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -12.676 1.502 5.498 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -12.525 1.917 7.849 1.00 0.00 C ATOM 1169 CZ TYR A 89 -12.205 1.155 6.747 1.00 0.00 C ATOM 1170 OH TYR A 89 -11.407 0.042 6.893 1.00 0.00 O ATOM 0 H TYR A 89 -13.183 6.172 7.644 1.00 0.00 H new ATOM 0 HA TYR A 89 -13.362 5.482 4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -15.077 4.921 7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -15.506 4.407 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -13.844 2.886 4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -13.568 3.633 8.561 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.422 0.903 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -12.156 1.642 8.826 1.00 0.00 H new ATOM 0 HH TYR A 89 -11.160 -0.062 7.836 1.00 0.00 H new ATOM 1180 N TYR A 90 -14.463 8.165 5.660 1.00 0.00 N ATOM 1181 CA TYR A 90 -15.200 9.346 5.237 1.00 0.00 C ATOM 1182 C TYR A 90 -14.774 9.743 3.828 1.00 0.00 C ATOM 1183 O TYR A 90 -15.542 10.354 3.085 1.00 0.00 O ATOM 1184 CB TYR A 90 -14.956 10.506 6.206 1.00 0.00 C ATOM 1185 CG TYR A 90 -16.030 10.650 7.257 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -15.982 9.912 8.432 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -17.095 11.521 7.071 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -16.965 10.039 9.393 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -18.082 11.656 8.028 1.00 0.00 C ATOM 1190 CZ TYR A 90 -18.013 10.912 9.187 1.00 0.00 C ATOM 1191 OH TYR A 90 -18.995 11.045 10.141 1.00 0.00 O ATOM 0 H TYR A 90 -13.656 8.363 6.252 1.00 0.00 H new ATOM 0 HA TYR A 90 -16.265 9.114 5.238 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -13.994 10.361 6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.887 11.434 5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -15.163 9.228 8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -17.153 12.103 6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -16.914 9.458 10.302 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -18.903 12.340 7.869 1.00 0.00 H new ATOM 0 HH TYR A 90 -19.658 11.701 9.839 1.00 0.00 H new ATOM 1201 N THR A 91 -13.546 9.358 3.470 1.00 0.00 N ATOM 1202 CA THR A 91 -12.963 9.659 2.163 1.00 0.00 C ATOM 1203 C THR A 91 -13.115 11.136 1.809 1.00 0.00 C ATOM 1204 O THR A 91 -13.770 11.494 0.828 1.00 0.00 O ATOM 1205 CB THR A 91 -13.579 8.785 1.050 1.00 0.00 C ATOM 1206 OG1 THR A 91 -14.443 7.789 1.617 1.00 0.00 O ATOM 1207 CG2 THR A 91 -12.485 8.107 0.243 1.00 0.00 C ATOM 0 H THR A 91 -12.927 8.827 4.082 1.00 0.00 H new ATOM 0 HA THR A 91 -11.900 9.427 2.233 1.00 0.00 H new ATOM 0 HB THR A 91 -14.161 9.431 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.828 7.243 0.900 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.935 7.494 -0.538 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.847 8.864 -0.213 1.00 0.00 H new ATOM 0 HG23 THR A 91 -11.887 7.475 0.900 1.00 0.00 H new ATOM 1215 N SER A 92 -12.510 11.991 2.619 1.00 0.00 N ATOM 1216 CA SER A 92 -12.587 13.428 2.409 1.00 0.00 C ATOM 1217 C SER A 92 -11.683 13.852 1.257 1.00 0.00 C ATOM 1218 O SER A 92 -11.970 14.818 0.550 1.00 0.00 O ATOM 1219 CB SER A 92 -12.201 14.164 3.688 1.00 0.00 C ATOM 1220 OG SER A 92 -12.530 13.392 4.831 1.00 0.00 O ATOM 0 H SER A 92 -11.958 11.713 3.431 1.00 0.00 H new ATOM 0 HA SER A 92 -13.613 13.688 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.132 14.376 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.716 15.123 3.731 1.00 0.00 H new ATOM 0 HG SER A 92 -11.798 12.771 5.028 1.00 0.00 H new ATOM 1226 N GLY A 93 -10.583 13.128 1.086 1.00 0.00 N ATOM 1227 CA GLY A 93 -9.705 13.361 -0.043 1.00 0.00 C ATOM 1228 C GLY A 93 -10.197 12.665 -1.300 1.00 0.00 C ATOM 1229 O GLY A 93 -11.402 12.543 -1.517 1.00 0.00 O ATOM 0 H GLY A 93 -10.283 12.381 1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.629 14.432 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.703 13.007 0.198 1.00 0.00 H new ATOM 1233 N LEU A 94 -9.270 12.205 -2.130 1.00 0.00 N ATOM 1234 CA LEU A 94 -9.634 11.530 -3.369 1.00 0.00 C ATOM 1235 C LEU A 94 -8.862 10.221 -3.521 1.00 0.00 C ATOM 1236 O LEU A 94 -9.235 9.202 -2.939 1.00 0.00 O ATOM 1237 CB LEU A 94 -9.379 12.442 -4.576 1.00 0.00 C ATOM 1238 CG LEU A 94 -8.657 13.754 -4.267 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -7.356 13.840 -5.048 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -9.553 14.943 -4.582 1.00 0.00 C ATOM 0 H LEU A 94 -8.266 12.286 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.698 11.298 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.793 11.889 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.336 12.675 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.421 13.777 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.854 14.780 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.710 13.006 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.569 13.796 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.023 15.868 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.821 14.927 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.458 14.887 -3.977 1.00 0.00 H new ATOM 1252 N SER A 95 -7.787 10.257 -4.297 1.00 0.00 N ATOM 1253 CA SER A 95 -6.983 9.073 -4.554 1.00 0.00 C ATOM 1254 C SER A 95 -5.835 8.958 -3.551 1.00 0.00 C ATOM 1255 O SER A 95 -5.279 9.968 -3.111 1.00 0.00 O ATOM 1256 CB SER A 95 -6.434 9.138 -5.977 1.00 0.00 C ATOM 1257 OG SER A 95 -6.852 10.332 -6.627 1.00 0.00 O ATOM 0 H SER A 95 -7.451 11.101 -4.762 1.00 0.00 H new ATOM 0 HA SER A 95 -7.613 8.190 -4.442 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.345 9.094 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.776 8.272 -6.543 1.00 0.00 H new ATOM 0 HG SER A 95 -6.488 10.354 -7.537 1.00 0.00 H new ATOM 1263 N TRP A 96 -5.493 7.725 -3.192 1.00 0.00 N ATOM 1264 CA TRP A 96 -4.397 7.456 -2.267 1.00 0.00 C ATOM 1265 C TRP A 96 -3.503 6.363 -2.836 1.00 0.00 C ATOM 1266 O TRP A 96 -3.923 5.599 -3.708 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.907 7.021 -0.884 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.911 7.943 -0.265 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -7.209 8.129 -0.645 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -5.704 8.778 0.875 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.818 9.033 0.189 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.915 9.442 1.130 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -4.608 9.027 1.709 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -7.064 10.333 2.184 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -4.759 9.914 2.756 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -5.978 10.554 2.984 1.00 0.00 C ATOM 0 H TRP A 96 -5.965 6.887 -3.532 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.835 8.382 -2.145 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -5.351 6.030 -0.972 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.055 6.930 -0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.687 7.637 -1.479 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -8.786 9.348 0.118 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.662 8.535 1.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.004 10.833 2.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -3.922 10.115 3.408 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -6.065 11.241 3.813 1.00 0.00 H new ATOM 1287 N ILE A 97 -2.281 6.287 -2.343 1.00 0.00 N ATOM 1288 CA ILE A 97 -1.323 5.320 -2.836 1.00 0.00 C ATOM 1289 C ILE A 97 -0.381 4.867 -1.724 1.00 0.00 C ATOM 1290 O ILE A 97 -0.193 5.580 -0.736 1.00 0.00 O ATOM 1291 CB ILE A 97 -0.529 5.914 -4.027 1.00 0.00 C ATOM 1292 CG1 ILE A 97 -0.498 4.918 -5.181 1.00 0.00 C ATOM 1293 CG2 ILE A 97 0.881 6.331 -3.633 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -1.588 5.160 -6.197 1.00 0.00 C ATOM 0 H ILE A 97 -1.929 6.888 -1.598 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.867 4.443 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.044 6.819 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.472 4.974 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.596 3.907 -4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.396 6.741 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.831 7.088 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.427 5.463 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.514 4.420 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.561 5.076 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.477 6.159 -6.619 1.00 0.00 H new ATOM 1306 N TRP A 98 0.184 3.676 -1.862 1.00 0.00 N ATOM 1307 CA TRP A 98 1.212 3.219 -0.941 1.00 0.00 C ATOM 1308 C TRP A 98 2.577 3.345 -1.608 1.00 0.00 C ATOM 1309 O TRP A 98 2.748 2.946 -2.762 1.00 0.00 O ATOM 1310 CB TRP A 98 0.988 1.762 -0.506 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.448 1.324 -0.434 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -1.147 0.662 -1.404 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -1.352 1.485 0.670 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -2.428 0.406 -0.976 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -2.581 0.902 0.291 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -1.248 2.067 1.940 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -3.689 0.881 1.137 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -2.356 2.044 2.773 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -3.555 1.456 2.368 1.00 0.00 C ATOM 0 H TRP A 98 -0.051 3.012 -2.600 1.00 0.00 H new ATOM 0 HA TRP A 98 1.164 3.843 -0.049 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.515 1.108 -1.201 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.443 1.619 0.474 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.750 0.380 -2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -3.148 -0.075 -1.515 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.324 2.524 2.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -4.619 0.426 0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.290 2.490 3.754 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -4.397 1.456 3.044 1.00 0.00 H new ATOM 1330 N LYS A 99 3.541 3.905 -0.898 1.00 0.00 N ATOM 1331 CA LYS A 99 4.881 4.059 -1.441 1.00 0.00 C ATOM 1332 C LYS A 99 5.893 3.337 -0.565 1.00 0.00 C ATOM 1333 O LYS A 99 5.900 3.494 0.659 1.00 0.00 O ATOM 1334 CB LYS A 99 5.253 5.539 -1.571 1.00 0.00 C ATOM 1335 CG LYS A 99 6.744 5.782 -1.766 1.00 0.00 C ATOM 1336 CD LYS A 99 7.012 7.062 -2.538 1.00 0.00 C ATOM 1337 CE LYS A 99 8.013 7.945 -1.812 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.923 8.639 -2.757 1.00 0.00 N ATOM 0 H LYS A 99 3.423 4.259 0.051 1.00 0.00 H new ATOM 0 HA LYS A 99 4.896 3.615 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.711 5.968 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.922 6.067 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.234 5.835 -0.794 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.183 4.938 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.392 6.818 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.078 7.607 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.479 8.683 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.599 7.338 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.908 8.502 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.796 8.247 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.703 9.655 -2.768 1.00 0.00 H new ATOM 1352 N ILE A 100 6.735 2.541 -1.197 1.00 0.00 N ATOM 1353 CA ILE A 100 7.791 1.836 -0.496 1.00 0.00 C ATOM 1354 C ILE A 100 9.127 2.521 -0.759 1.00 0.00 C ATOM 1355 O ILE A 100 9.640 2.501 -1.879 1.00 0.00 O ATOM 1356 CB ILE A 100 7.852 0.347 -0.918 1.00 0.00 C ATOM 1357 CG1 ILE A 100 6.771 -0.452 -0.188 1.00 0.00 C ATOM 1358 CG2 ILE A 100 9.222 -0.255 -0.635 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.486 -0.595 -0.970 1.00 0.00 C ATOM 0 H ILE A 100 6.707 2.366 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 100 7.575 1.866 0.572 1.00 0.00 H new ATOM 0 HB ILE A 100 7.676 0.297 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.158 -1.445 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.554 0.033 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.231 -1.301 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.982 0.293 -1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.435 -0.189 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.768 -1.173 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.074 0.393 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.688 -1.108 -1.910 1.00 0.00 H new ATOM 1371 N LYS A 101 9.661 3.162 0.269 1.00 0.00 N ATOM 1372 CA LYS A 101 10.946 3.833 0.167 1.00 0.00 C ATOM 1373 C LYS A 101 12.030 2.956 0.776 1.00 0.00 C ATOM 1374 O LYS A 101 12.306 3.030 1.974 1.00 0.00 O ATOM 1375 CB LYS A 101 10.891 5.191 0.868 1.00 0.00 C ATOM 1376 CG LYS A 101 11.778 6.245 0.230 1.00 0.00 C ATOM 1377 CD LYS A 101 12.515 7.058 1.280 1.00 0.00 C ATOM 1378 CE LYS A 101 13.956 6.601 1.421 1.00 0.00 C ATOM 1379 NZ LYS A 101 14.235 6.057 2.777 1.00 0.00 N ATOM 0 H LYS A 101 9.222 3.231 1.187 1.00 0.00 H new ATOM 0 HA LYS A 101 11.181 4.003 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.861 5.548 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.185 5.064 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.498 5.764 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.172 6.908 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.491 8.113 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.006 6.964 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.170 5.838 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.624 7.439 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.965 5.320 2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.570 6.823 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.365 5.648 3.173 1.00 0.00 H new ATOM 1393 N ASN A 102 12.635 2.128 -0.057 1.00 0.00 N ATOM 1394 CA ASN A 102 13.570 1.115 0.410 1.00 0.00 C ATOM 1395 C ASN A 102 15.010 1.601 0.317 1.00 0.00 C ATOM 1396 O ASN A 102 15.452 2.064 -0.734 1.00 0.00 O ATOM 1397 CB ASN A 102 13.392 -0.161 -0.408 1.00 0.00 C ATOM 1398 CG ASN A 102 14.217 -1.313 0.120 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.120 -1.678 1.288 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.036 -1.894 -0.741 1.00 0.00 N ATOM 0 H ASN A 102 12.495 2.136 -1.067 1.00 0.00 H new ATOM 0 HA ASN A 102 13.357 0.910 1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.339 -0.444 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.670 0.035 -1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.618 -2.677 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.086 -1.559 -1.703 1.00 0.00 H new ATOM 1407 N ASN A 103 15.732 1.483 1.423 1.00 0.00 N ATOM 1408 CA ASN A 103 17.115 1.936 1.501 1.00 0.00 C ATOM 1409 C ASN A 103 18.072 0.839 1.060 1.00 0.00 C ATOM 1410 O ASN A 103 19.154 1.123 0.544 1.00 0.00 O ATOM 1411 CB ASN A 103 17.464 2.348 2.931 1.00 0.00 C ATOM 1412 CG ASN A 103 16.893 3.688 3.332 1.00 0.00 C ATOM 1413 OD1 ASN A 103 16.553 4.520 2.491 1.00 0.00 O ATOM 1414 ND2 ASN A 103 16.780 3.903 4.632 1.00 0.00 N ATOM 0 H ASN A 103 15.378 1.073 2.287 1.00 0.00 H new ATOM 0 HA ASN A 103 17.218 2.793 0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.098 1.586 3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.548 2.378 3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.399 4.786 4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 103 17.074 3.186 5.295 1.00 0.00 H new ATOM 1421 N SER A 104 17.677 -0.412 1.291 1.00 0.00 N ATOM 1422 CA SER A 104 18.495 -1.558 0.921 1.00 0.00 C ATOM 1423 C SER A 104 18.819 -1.528 -0.570 1.00 0.00 C ATOM 1424 O SER A 104 17.922 -1.481 -1.409 1.00 0.00 O ATOM 1425 CB SER A 104 17.778 -2.856 1.297 1.00 0.00 C ATOM 1426 OG SER A 104 17.013 -2.685 2.481 1.00 0.00 O ATOM 0 H SER A 104 16.791 -0.655 1.735 1.00 0.00 H new ATOM 0 HA SER A 104 19.436 -1.510 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.127 -3.167 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.509 -3.651 1.443 1.00 0.00 H new ATOM 0 HG SER A 104 17.252 -3.381 3.128 1.00 0.00 H new ATOM 1432 N SER A 105 20.110 -1.546 -0.881 1.00 0.00 N ATOM 1433 CA SER A 105 20.590 -1.380 -2.245 1.00 0.00 C ATOM 1434 C SER A 105 20.333 -2.624 -3.096 1.00 0.00 C ATOM 1435 O SER A 105 20.342 -2.556 -4.326 1.00 0.00 O ATOM 1436 CB SER A 105 22.084 -1.060 -2.209 1.00 0.00 C ATOM 1437 OG SER A 105 22.516 -0.824 -0.873 1.00 0.00 O ATOM 0 H SER A 105 20.852 -1.676 -0.194 1.00 0.00 H new ATOM 0 HA SER A 105 20.042 -0.559 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.649 -1.888 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.288 -0.183 -2.823 1.00 0.00 H new ATOM 0 HG SER A 105 22.759 -1.675 -0.452 1.00 0.00 H new ATOM 1443 N GLU A 106 20.107 -3.751 -2.439 1.00 0.00 N ATOM 1444 CA GLU A 106 19.845 -5.004 -3.135 1.00 0.00 C ATOM 1445 C GLU A 106 18.341 -5.227 -3.275 1.00 0.00 C ATOM 1446 O GLU A 106 17.543 -4.446 -2.758 1.00 0.00 O ATOM 1447 CB GLU A 106 20.481 -6.168 -2.371 1.00 0.00 C ATOM 1448 CG GLU A 106 21.292 -7.107 -3.250 1.00 0.00 C ATOM 1449 CD GLU A 106 20.578 -8.416 -3.506 1.00 0.00 C ATOM 1450 OE1 GLU A 106 19.685 -8.448 -4.374 1.00 0.00 O ATOM 1451 OE2 GLU A 106 20.895 -9.418 -2.829 1.00 0.00 O ATOM 0 H GLU A 106 20.099 -3.825 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 106 20.284 -4.952 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.127 -5.768 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.695 -6.738 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.503 -6.619 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.252 -7.307 -2.775 1.00 0.00 H new ATOM 1458 N THR A 107 17.954 -6.291 -3.972 1.00 0.00 N ATOM 1459 CA THR A 107 16.549 -6.624 -4.125 1.00 0.00 C ATOM 1460 C THR A 107 15.946 -6.964 -2.767 1.00 0.00 C ATOM 1461 O THR A 107 16.449 -7.838 -2.055 1.00 0.00 O ATOM 1462 CB THR A 107 16.350 -7.811 -5.084 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.003 -7.557 -6.340 1.00 0.00 O ATOM 1464 CG2 THR A 107 14.870 -8.079 -5.319 1.00 0.00 C ATOM 0 H THR A 107 18.595 -6.934 -4.437 1.00 0.00 H new ATOM 0 HA THR A 107 16.046 -5.755 -4.549 1.00 0.00 H new ATOM 0 HB THR A 107 16.794 -8.693 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 107 16.869 -8.321 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 107 14.757 -8.922 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.387 -8.312 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 107 14.405 -7.195 -5.756 1.00 0.00 H new ATOM 1472 N SER A 108 14.890 -6.264 -2.398 1.00 0.00 N ATOM 1473 CA SER A 108 14.287 -6.441 -1.089 1.00 0.00 C ATOM 1474 C SER A 108 12.801 -6.772 -1.209 1.00 0.00 C ATOM 1475 O SER A 108 12.083 -6.166 -1.993 1.00 0.00 O ATOM 1476 CB SER A 108 14.500 -5.177 -0.261 1.00 0.00 C ATOM 1477 OG SER A 108 15.764 -4.594 -0.545 1.00 0.00 O ATOM 0 H SER A 108 14.432 -5.567 -2.985 1.00 0.00 H new ATOM 0 HA SER A 108 14.766 -7.282 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.708 -4.460 -0.474 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.436 -5.417 0.800 1.00 0.00 H new ATOM 0 HG SER A 108 16.475 -5.164 -0.185 1.00 0.00 H new ATOM 1483 N ASN A 109 12.357 -7.751 -0.441 1.00 0.00 N ATOM 1484 CA ASN A 109 10.964 -8.181 -0.466 1.00 0.00 C ATOM 1485 C ASN A 109 10.143 -7.402 0.553 1.00 0.00 C ATOM 1486 O ASN A 109 10.520 -7.315 1.715 1.00 0.00 O ATOM 1487 CB ASN A 109 10.892 -9.683 -0.155 1.00 0.00 C ATOM 1488 CG ASN A 109 9.576 -10.116 0.480 1.00 0.00 C ATOM 1489 OD1 ASN A 109 8.687 -10.639 -0.192 1.00 0.00 O ATOM 1490 ND2 ASN A 109 9.454 -9.904 1.781 1.00 0.00 N ATOM 0 H ASN A 109 12.944 -8.269 0.214 1.00 0.00 H new ATOM 0 HA ASN A 109 10.552 -7.990 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.041 -10.243 -1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.712 -9.946 0.514 1.00 0.00 H new ATOM 0 HD21 ASN A 109 8.598 -10.177 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 109 10.216 -9.467 2.300 1.00 0.00 H new ATOM 1497 N TYR A 110 9.031 -6.843 0.124 1.00 0.00 N ATOM 1498 CA TYR A 110 8.083 -6.254 1.051 1.00 0.00 C ATOM 1499 C TYR A 110 6.758 -6.988 0.917 1.00 0.00 C ATOM 1500 O TYR A 110 6.361 -7.359 -0.185 1.00 0.00 O ATOM 1501 CB TYR A 110 7.909 -4.744 0.801 1.00 0.00 C ATOM 1502 CG TYR A 110 7.445 -4.366 -0.596 1.00 0.00 C ATOM 1503 CD1 TYR A 110 6.101 -4.419 -0.941 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.352 -3.948 -1.562 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.674 -4.072 -2.208 1.00 0.00 C ATOM 1506 CE2 TYR A 110 7.932 -3.600 -2.831 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.593 -3.663 -3.149 1.00 0.00 C ATOM 1508 OH TYR A 110 6.171 -3.322 -4.412 1.00 0.00 O ATOM 0 H TYR A 110 8.760 -6.783 -0.858 1.00 0.00 H new ATOM 0 HA TYR A 110 8.461 -6.359 2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.191 -4.353 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.860 -4.248 0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.377 -4.737 -0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.402 -3.894 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.625 -4.121 -2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.650 -3.280 -3.571 1.00 0.00 H new ATOM 0 HH TYR A 110 6.943 -3.055 -4.954 1.00 0.00 H new ATOM 1518 N SER A 111 6.091 -7.234 2.027 1.00 0.00 N ATOM 1519 CA SER A 111 4.825 -7.943 1.992 1.00 0.00 C ATOM 1520 C SER A 111 3.709 -7.035 2.494 1.00 0.00 C ATOM 1521 O SER A 111 3.467 -6.922 3.694 1.00 0.00 O ATOM 1522 CB SER A 111 4.931 -9.253 2.803 1.00 0.00 C ATOM 1523 OG SER A 111 3.776 -9.530 3.586 1.00 0.00 O ATOM 0 H SER A 111 6.400 -6.956 2.958 1.00 0.00 H new ATOM 0 HA SER A 111 4.582 -8.219 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.103 -10.083 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.800 -9.196 3.459 1.00 0.00 H new ATOM 0 HG SER A 111 3.905 -10.370 4.073 1.00 0.00 H new ATOM 1529 N LEU A 112 3.057 -6.353 1.567 1.00 0.00 N ATOM 1530 CA LEU A 112 1.980 -5.444 1.926 1.00 0.00 C ATOM 1531 C LEU A 112 0.644 -6.163 1.880 1.00 0.00 C ATOM 1532 O LEU A 112 0.074 -6.377 0.814 1.00 0.00 O ATOM 1533 CB LEU A 112 1.954 -4.225 1.004 1.00 0.00 C ATOM 1534 CG LEU A 112 0.948 -3.142 1.406 1.00 0.00 C ATOM 1535 CD1 LEU A 112 1.487 -2.307 2.555 1.00 0.00 C ATOM 1536 CD2 LEU A 112 0.609 -2.255 0.221 1.00 0.00 C ATOM 0 H LEU A 112 3.252 -6.410 0.567 1.00 0.00 H new ATOM 0 HA LEU A 112 2.161 -5.096 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.951 -3.785 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.725 -4.557 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 112 0.035 -3.636 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.757 -1.544 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.674 -2.950 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.417 -1.827 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.107 -1.493 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.516 -1.774 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.174 -2.861 -0.574 1.00 0.00 H new ATOM 1548 N ASP A 113 0.158 -6.536 3.047 1.00 0.00 N ATOM 1549 CA ASP A 113 -1.095 -7.260 3.168 1.00 0.00 C ATOM 1550 C ASP A 113 -2.250 -6.270 3.241 1.00 0.00 C ATOM 1551 O ASP A 113 -2.505 -5.673 4.291 1.00 0.00 O ATOM 1552 CB ASP A 113 -1.079 -8.151 4.418 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.080 -9.299 4.330 1.00 0.00 C ATOM 1554 OD1 ASP A 113 0.931 -9.176 3.604 1.00 0.00 O ATOM 1555 OD2 ASP A 113 -0.292 -10.327 5.010 1.00 0.00 O ATOM 0 H ASP A 113 0.618 -6.347 3.937 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.224 -7.898 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.842 -7.539 5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.077 -8.559 4.577 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.930 -6.071 2.120 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.997 -5.082 2.043 1.00 0.00 C ATOM 1562 C ALA A 114 -5.376 -5.730 2.075 1.00 0.00 C ATOM 1563 O ALA A 114 -5.605 -6.772 1.455 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.843 -4.237 0.788 1.00 0.00 C ATOM 0 H ALA A 114 -2.762 -6.580 1.252 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.914 -4.441 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.647 -3.502 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.882 -3.723 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.889 -4.880 -0.091 1.00 0.00 H new ATOM 1570 N THR A 115 -6.290 -5.103 2.800 1.00 0.00 N ATOM 1571 CA THR A 115 -7.668 -5.564 2.873 1.00 0.00 C ATOM 1572 C THR A 115 -8.510 -4.895 1.791 1.00 0.00 C ATOM 1573 O THR A 115 -8.975 -3.765 1.962 1.00 0.00 O ATOM 1574 CB THR A 115 -8.279 -5.261 4.253 1.00 0.00 C ATOM 1575 OG1 THR A 115 -7.313 -5.512 5.280 1.00 0.00 O ATOM 1576 CG2 THR A 115 -9.521 -6.105 4.499 1.00 0.00 C ATOM 0 H THR A 115 -6.099 -4.266 3.351 1.00 0.00 H new ATOM 0 HA THR A 115 -7.666 -6.643 2.718 1.00 0.00 H new ATOM 0 HB THR A 115 -8.568 -4.210 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 115 -7.654 -5.182 6.138 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.932 -5.870 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.266 -5.888 3.733 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.257 -7.162 4.459 1.00 0.00 H new