USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 739 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 72 SER OG : rot -66:sc= 0 USER MOD Set 1.2: A 114 HIS : no HE2:sc= -14.5! C(o=-14!,f=-18!) USER MOD Set 2.1: A 86 GLN : amide:sc= -0.197 K(o=-12,f=-14) USER MOD Set 2.2: A 87 MET CE :methyl 179:sc= -11.7! (180deg=-11.8!) USER MOD Set 3.1: A 7 GLN :FLIP amide:sc= -0.825! F(o=-1.4,f=-0.35!) USER MOD Set 3.2: A 81 SER OG : rot 76:sc= 0.474 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -107:sc= -0.666! USER MOD Single : A 12 HIS : no HE2:sc= -3.52! C(o=-3.5!,f=-3.2!) USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= -0.2 (180deg=-1.32) USER MOD Single : A 17 HIS : no HD1:sc= -11.5! C(o=-11!,f=-14!) USER MOD Single : A 18 GLN : amide:sc= -0.385 K(o=-0.39,f=-2.9!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 75:sc= 1.26 USER MOD Single : A 55 SER OG : rot 132:sc= -2.12! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.0743 USER MOD Single : A 68 SER OG : rot -75:sc= -6.79! USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.349 K(o=-0.35,f=-3!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 109:sc= -0.804 USER MOD Single : A 96 TYR OH : rot 30:sc= -0.255 USER MOD Single : A 99 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.377) USER MOD Single : A 104 SER OG : rot 92:sc= -0.259 USER MOD Single : A 109 THR OG1 : rot -108:sc= -3.6! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -120:sc= -0.0762 (180deg=-0.539) USER MOD Single : A 119 THR OG1 : rot -160:sc= -3.84! USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 18.342 6.018 3.636 1.00 0.00 N ATOM 93 CA GLN A 7 17.025 6.300 2.987 1.00 0.00 C ATOM 94 C GLN A 7 16.472 5.035 2.326 1.00 0.00 C ATOM 95 O GLN A 7 17.209 4.145 1.949 1.00 0.00 O ATOM 96 CB GLN A 7 17.318 7.371 1.936 1.00 0.00 C ATOM 97 CG GLN A 7 16.088 8.264 1.765 1.00 0.00 C ATOM 98 CD GLN A 7 16.369 9.313 0.686 1.00 0.00 C ATOM 99 OE1 GLN A 7 15.651 10.403 0.648 1.00 0.00 O flip ATOM 100 NE2 GLN A 7 17.250 9.138 -0.132 1.00 0.00 N flip ATOM 0 HA GLN A 7 16.277 6.631 3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 7 18.176 7.970 2.240 1.00 0.00 H new ATOM 0 HB3 GLN A 7 17.576 6.903 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.223 7.662 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.845 8.753 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.811 8.287 -0.103 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.428 9.842 -0.848 1.00 0.00 H new ATOM 109 N VAL A 8 15.177 4.941 2.198 1.00 0.00 N ATOM 110 CA VAL A 8 14.574 3.725 1.581 1.00 0.00 C ATOM 111 C VAL A 8 13.598 4.107 0.462 1.00 0.00 C ATOM 112 O VAL A 8 12.483 4.520 0.713 1.00 0.00 O ATOM 113 CB VAL A 8 13.834 3.014 2.732 1.00 0.00 C ATOM 114 CG1 VAL A 8 13.217 4.046 3.681 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.715 2.128 2.173 1.00 0.00 C ATOM 0 H VAL A 8 14.510 5.654 2.494 1.00 0.00 H new ATOM 0 HA VAL A 8 15.329 3.085 1.125 1.00 0.00 H new ATOM 0 HB VAL A 8 14.554 2.400 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.697 3.532 4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.005 4.674 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.509 4.668 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.200 1.631 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.006 2.743 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.143 1.379 1.507 1.00 0.00 H new ATOM 125 N LYS A 9 13.998 3.945 -0.772 1.00 0.00 N ATOM 126 CA LYS A 9 13.076 4.267 -1.897 1.00 0.00 C ATOM 127 C LYS A 9 12.055 3.136 -2.030 1.00 0.00 C ATOM 128 O LYS A 9 12.267 2.050 -1.530 1.00 0.00 O ATOM 129 CB LYS A 9 13.950 4.332 -3.146 1.00 0.00 C ATOM 130 CG LYS A 9 14.826 5.584 -3.113 1.00 0.00 C ATOM 131 CD LYS A 9 14.921 6.167 -4.527 1.00 0.00 C ATOM 132 CE LYS A 9 15.721 7.470 -4.497 1.00 0.00 C ATOM 133 NZ LYS A 9 17.122 7.073 -4.826 1.00 0.00 N ATOM 0 H LYS A 9 14.919 3.605 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 9 12.539 5.203 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.577 3.442 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.323 4.342 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.403 6.321 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.820 5.338 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.400 5.451 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.922 6.352 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.334 8.187 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.665 7.944 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.731 7.916 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.467 6.395 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.146 6.631 -5.767 1.00 0.00 H new ATOM 147 N ALA A 10 10.953 3.360 -2.695 1.00 0.00 N ATOM 148 CA ALA A 10 9.956 2.249 -2.827 1.00 0.00 C ATOM 149 C ALA A 10 8.632 2.726 -3.430 1.00 0.00 C ATOM 150 O ALA A 10 8.375 3.906 -3.560 1.00 0.00 O ATOM 151 CB ALA A 10 9.719 1.759 -1.396 1.00 0.00 C ATOM 0 H ALA A 10 10.700 4.240 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 10 10.331 1.472 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.998 0.942 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.659 1.408 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.331 2.578 -0.790 1.00 0.00 H new ATOM 157 N SER A 11 7.784 1.792 -3.774 1.00 0.00 N ATOM 158 CA SER A 11 6.450 2.135 -4.345 1.00 0.00 C ATOM 159 C SER A 11 5.381 1.342 -3.591 1.00 0.00 C ATOM 160 O SER A 11 5.702 0.576 -2.706 1.00 0.00 O ATOM 161 CB SER A 11 6.515 1.703 -5.810 1.00 0.00 C ATOM 162 OG SER A 11 6.458 0.284 -5.884 1.00 0.00 O ATOM 0 H SER A 11 7.963 0.792 -3.682 1.00 0.00 H new ATOM 0 HA SER A 11 6.205 3.194 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.687 2.141 -6.368 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.435 2.066 -6.268 1.00 0.00 H new ATOM 0 HG SER A 11 7.343 -0.067 -6.114 1.00 0.00 H new ATOM 168 N HIS A 12 4.120 1.495 -3.915 1.00 0.00 N ATOM 169 CA HIS A 12 3.092 0.705 -3.162 1.00 0.00 C ATOM 170 C HIS A 12 1.673 0.946 -3.685 1.00 0.00 C ATOM 171 O HIS A 12 1.431 1.798 -4.517 1.00 0.00 O ATOM 172 CB HIS A 12 3.192 1.194 -1.716 1.00 0.00 C ATOM 173 CG HIS A 12 2.672 2.603 -1.630 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.699 2.978 -0.716 1.00 0.00 N ATOM 175 CD2 HIS A 12 2.979 3.738 -2.338 1.00 0.00 C ATOM 176 CE1 HIS A 12 1.457 4.289 -0.898 1.00 0.00 C ATOM 177 NE2 HIS A 12 2.211 4.801 -1.874 1.00 0.00 N ATOM 0 H HIS A 12 3.764 2.112 -4.645 1.00 0.00 H new ATOM 0 HA HIS A 12 3.279 -0.363 -3.270 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.617 0.541 -1.059 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.227 1.155 -1.378 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.249 2.371 -0.031 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.706 3.797 -3.134 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.740 4.858 -0.325 1.00 0.00 H new ATOM 185 N ILE A 13 0.732 0.194 -3.171 1.00 0.00 N ATOM 186 CA ILE A 13 -0.694 0.349 -3.588 1.00 0.00 C ATOM 187 C ILE A 13 -1.597 0.285 -2.348 1.00 0.00 C ATOM 188 O ILE A 13 -1.143 0.036 -1.249 1.00 0.00 O ATOM 189 CB ILE A 13 -0.954 -0.825 -4.553 1.00 0.00 C ATOM 190 CG1 ILE A 13 -0.833 -0.314 -5.993 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.358 -1.411 -4.335 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.493 -1.302 -6.960 1.00 0.00 C ATOM 0 H ILE A 13 0.894 -0.530 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.902 1.303 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.222 -1.610 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.306 0.664 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.217 -0.184 -6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.519 -2.238 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.446 -1.773 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.106 -0.639 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.401 -0.929 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.000 -2.271 -6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.548 -1.410 -6.707 1.00 0.00 H new ATOM 204 N LEU A 14 -2.869 0.512 -2.522 1.00 0.00 N ATOM 205 CA LEU A 14 -3.809 0.472 -1.364 1.00 0.00 C ATOM 206 C LEU A 14 -5.092 -0.260 -1.769 1.00 0.00 C ATOM 207 O LEU A 14 -5.422 -0.336 -2.934 1.00 0.00 O ATOM 208 CB LEU A 14 -4.096 1.944 -1.059 1.00 0.00 C ATOM 209 CG LEU A 14 -5.173 2.065 0.022 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.704 1.392 1.309 1.00 0.00 C ATOM 211 CD2 LEU A 14 -5.442 3.546 0.298 1.00 0.00 C ATOM 0 H LEU A 14 -3.301 0.725 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.403 -0.053 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.183 2.438 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.423 2.453 -1.966 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.084 1.577 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.478 1.484 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.508 0.337 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.791 1.873 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.208 3.639 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.524 4.025 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.785 4.030 -0.616 1.00 0.00 H new ATOM 223 N ILE A 15 -5.817 -0.804 -0.829 1.00 0.00 N ATOM 224 CA ILE A 15 -7.074 -1.525 -1.195 1.00 0.00 C ATOM 225 C ILE A 15 -8.280 -0.911 -0.467 1.00 0.00 C ATOM 226 O ILE A 15 -9.414 -1.277 -0.708 1.00 0.00 O ATOM 227 CB ILE A 15 -6.836 -2.985 -0.772 1.00 0.00 C ATOM 228 CG1 ILE A 15 -7.499 -3.915 -1.791 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.427 -3.253 0.618 1.00 0.00 C ATOM 230 CD1 ILE A 15 -6.688 -5.207 -1.907 1.00 0.00 C ATOM 0 H ILE A 15 -5.598 -0.782 0.167 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.300 -1.453 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.762 -3.169 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.520 -4.141 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.560 -3.423 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.247 -4.291 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.955 -2.595 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.500 -3.063 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.160 -5.869 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.675 -4.973 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.650 -5.701 -0.936 1.00 0.00 H new ATOM 242 N LYS A 16 -8.045 0.014 0.423 1.00 0.00 N ATOM 243 CA LYS A 16 -9.177 0.643 1.166 1.00 0.00 C ATOM 244 C LYS A 16 -9.791 -0.377 2.138 1.00 0.00 C ATOM 245 O LYS A 16 -9.836 -1.560 1.865 1.00 0.00 O ATOM 246 CB LYS A 16 -10.174 1.084 0.071 1.00 0.00 C ATOM 247 CG LYS A 16 -11.522 0.361 0.215 1.00 0.00 C ATOM 248 CD LYS A 16 -12.567 1.039 -0.674 1.00 0.00 C ATOM 249 CE LYS A 16 -12.248 0.757 -2.145 1.00 0.00 C ATOM 250 NZ LYS A 16 -11.690 2.034 -2.674 1.00 0.00 N ATOM 0 H LYS A 16 -7.118 0.362 0.669 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.872 1.493 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.329 2.161 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.752 0.877 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.416 -0.687 -0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.847 0.381 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.563 0.669 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.573 2.114 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.530 -0.057 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.143 0.461 -2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.322 2.411 -3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.609 2.724 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.749 1.859 -3.082 1.00 0.00 H new ATOM 264 N HIS A 17 -10.267 0.078 3.266 1.00 0.00 N ATOM 265 CA HIS A 17 -10.882 -0.861 4.250 1.00 0.00 C ATOM 266 C HIS A 17 -11.535 -0.078 5.393 1.00 0.00 C ATOM 267 O HIS A 17 -11.947 1.053 5.227 1.00 0.00 O ATOM 268 CB HIS A 17 -9.727 -1.722 4.770 1.00 0.00 C ATOM 269 CG HIS A 17 -8.744 -0.872 5.531 1.00 0.00 C ATOM 270 ND1 HIS A 17 -8.844 0.510 5.600 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.631 -1.202 6.264 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.820 0.954 6.351 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.050 -0.048 6.781 1.00 0.00 N ATOM 0 H HIS A 17 -10.257 1.058 3.549 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.664 -1.472 3.799 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.114 -2.510 5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.225 -2.212 3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.262 -2.206 6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.642 1.995 6.578 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.215 0.018 7.363 1.00 0.00 H new ATOM 281 N GLN A 18 -11.633 -0.671 6.551 1.00 0.00 N ATOM 282 CA GLN A 18 -12.262 0.040 7.703 1.00 0.00 C ATOM 283 C GLN A 18 -11.344 1.158 8.200 1.00 0.00 C ATOM 284 O GLN A 18 -11.792 2.225 8.568 1.00 0.00 O ATOM 285 CB GLN A 18 -12.438 -1.029 8.783 1.00 0.00 C ATOM 286 CG GLN A 18 -13.852 -1.608 8.704 1.00 0.00 C ATOM 287 CD GLN A 18 -14.393 -1.833 10.117 1.00 0.00 C ATOM 288 OE1 GLN A 18 -13.686 -1.653 11.088 1.00 0.00 O ATOM 289 NE2 GLN A 18 -15.629 -2.222 10.274 1.00 0.00 N ATOM 0 H GLN A 18 -11.305 -1.616 6.751 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.210 0.505 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.701 -1.821 8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.265 -0.597 9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.505 -0.927 8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.841 -2.549 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.223 -2.373 9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.000 -2.375 11.212 1.00 0.00 H new ATOM 298 N GLY A 19 -10.064 0.919 8.216 1.00 0.00 N ATOM 299 CA GLY A 19 -9.119 1.967 8.692 1.00 0.00 C ATOM 300 C GLY A 19 -9.629 2.543 10.014 1.00 0.00 C ATOM 301 O GLY A 19 -10.019 1.819 10.908 1.00 0.00 O ATOM 0 H GLY A 19 -9.631 0.044 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.124 1.542 8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.030 2.758 7.947 1.00 0.00 H new ATOM 594 N THR A 37 -14.865 -2.998 2.724 1.00 0.00 N ATOM 595 CA THR A 37 -13.810 -3.978 3.115 1.00 0.00 C ATOM 596 C THR A 37 -13.393 -3.760 4.576 1.00 0.00 C ATOM 597 O THR A 37 -13.271 -2.643 5.038 1.00 0.00 O ATOM 598 CB THR A 37 -12.645 -3.690 2.158 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.861 -4.384 0.938 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.321 -4.149 2.778 1.00 0.00 C ATOM 0 HA THR A 37 -14.149 -5.012 3.046 1.00 0.00 H new ATOM 0 HB THR A 37 -12.593 -2.617 1.972 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.120 -4.202 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.504 -3.938 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.153 -3.615 3.713 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.363 -5.220 2.974 1.00 0.00 H new ATOM 608 N THR A 38 -13.175 -4.823 5.303 1.00 0.00 N ATOM 609 CA THR A 38 -12.767 -4.681 6.732 1.00 0.00 C ATOM 610 C THR A 38 -11.313 -5.119 6.924 1.00 0.00 C ATOM 611 O THR A 38 -10.672 -5.592 6.009 1.00 0.00 O ATOM 612 CB THR A 38 -13.706 -5.600 7.517 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.276 -6.946 7.373 1.00 0.00 O ATOM 614 CG2 THR A 38 -15.135 -5.458 6.990 1.00 0.00 C ATOM 0 H THR A 38 -13.262 -5.783 4.970 1.00 0.00 H new ATOM 0 HA THR A 38 -12.834 -3.646 7.068 1.00 0.00 H new ATOM 0 HB THR A 38 -13.686 -5.321 8.570 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.875 -7.536 7.876 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.798 -6.115 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.464 -4.425 7.105 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.163 -5.732 5.935 1.00 0.00 H new ATOM 622 N ARG A 39 -10.791 -4.962 8.113 1.00 0.00 N ATOM 623 CA ARG A 39 -9.376 -5.363 8.373 1.00 0.00 C ATOM 624 C ARG A 39 -9.087 -6.738 7.768 1.00 0.00 C ATOM 625 O ARG A 39 -8.524 -6.849 6.698 1.00 0.00 O ATOM 626 CB ARG A 39 -9.249 -5.415 9.896 1.00 0.00 C ATOM 627 CG ARG A 39 -8.640 -4.106 10.403 1.00 0.00 C ATOM 628 CD ARG A 39 -8.094 -4.312 11.817 1.00 0.00 C ATOM 629 NE ARG A 39 -6.700 -4.798 11.623 1.00 0.00 N ATOM 630 CZ ARG A 39 -5.701 -4.145 12.151 1.00 0.00 C ATOM 631 NH1 ARG A 39 -5.726 -2.842 12.199 1.00 0.00 N ATOM 632 NH2 ARG A 39 -4.677 -4.796 12.631 1.00 0.00 N ATOM 0 H ARG A 39 -11.284 -4.573 8.916 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.667 -4.666 7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.228 -5.572 10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.623 -6.258 10.191 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.841 -3.782 9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.393 -3.318 10.404 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.113 -3.383 12.387 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.692 -5.037 12.370 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.526 -5.642 11.077 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.526 -2.333 11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.945 -2.332 12.612 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.657 -5.815 12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.896 -4.286 13.044 1.00 0.00 H new ATOM 646 N GLU A 40 -9.468 -7.785 8.445 1.00 0.00 N ATOM 647 CA GLU A 40 -9.215 -9.152 7.906 1.00 0.00 C ATOM 648 C GLU A 40 -9.535 -9.184 6.415 1.00 0.00 C ATOM 649 O GLU A 40 -8.674 -9.396 5.584 1.00 0.00 O ATOM 650 CB GLU A 40 -10.176 -10.060 8.670 1.00 0.00 C ATOM 651 CG GLU A 40 -10.080 -11.484 8.119 1.00 0.00 C ATOM 652 CD GLU A 40 -8.931 -12.222 8.807 1.00 0.00 C ATOM 653 OE1 GLU A 40 -9.059 -12.508 9.985 1.00 0.00 O ATOM 654 OE2 GLU A 40 -7.943 -12.489 8.143 1.00 0.00 O ATOM 0 H GLU A 40 -9.943 -7.754 9.347 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.177 -9.462 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.933 -10.053 9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.197 -9.690 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.018 -12.014 8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.916 -11.458 7.042 1.00 0.00 H new ATOM 661 N ALA A 41 -10.772 -8.967 6.074 1.00 0.00 N ATOM 662 CA ALA A 41 -11.163 -8.973 4.639 1.00 0.00 C ATOM 663 C ALA A 41 -10.106 -8.241 3.810 1.00 0.00 C ATOM 664 O ALA A 41 -9.736 -8.672 2.736 1.00 0.00 O ATOM 665 CB ALA A 41 -12.494 -8.227 4.597 1.00 0.00 C ATOM 0 H ALA A 41 -11.532 -8.785 6.729 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.248 -9.979 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.855 -8.185 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.223 -8.748 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.355 -7.214 4.974 1.00 0.00 H new ATOM 671 N ALA A 42 -9.608 -7.141 4.308 1.00 0.00 N ATOM 672 CA ALA A 42 -8.565 -6.390 3.553 1.00 0.00 C ATOM 673 C ALA A 42 -7.341 -7.278 3.351 1.00 0.00 C ATOM 674 O ALA A 42 -6.899 -7.501 2.242 1.00 0.00 O ATOM 675 CB ALA A 42 -8.215 -5.181 4.422 1.00 0.00 C ATOM 0 H ALA A 42 -9.878 -6.731 5.202 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.912 -6.081 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.451 -4.584 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.107 -4.574 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.837 -5.523 5.386 1.00 0.00 H new ATOM 681 N VAL A 43 -6.794 -7.796 4.415 1.00 0.00 N ATOM 682 CA VAL A 43 -5.605 -8.678 4.269 1.00 0.00 C ATOM 683 C VAL A 43 -5.971 -9.858 3.370 1.00 0.00 C ATOM 684 O VAL A 43 -5.138 -10.408 2.676 1.00 0.00 O ATOM 685 CB VAL A 43 -5.238 -9.125 5.696 1.00 0.00 C ATOM 686 CG1 VAL A 43 -6.148 -10.264 6.176 1.00 0.00 C ATOM 687 CG2 VAL A 43 -3.784 -9.602 5.713 1.00 0.00 C ATOM 0 H VAL A 43 -7.116 -7.648 5.371 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.754 -8.179 3.805 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.370 -8.276 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.863 -10.556 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.185 -9.927 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.044 -11.119 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.517 -9.920 6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.668 -10.440 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.130 -8.786 5.405 1.00 0.00 H new ATOM 697 N GLU A 44 -7.223 -10.231 3.358 1.00 0.00 N ATOM 698 CA GLU A 44 -7.657 -11.353 2.483 1.00 0.00 C ATOM 699 C GLU A 44 -7.757 -10.849 1.046 1.00 0.00 C ATOM 700 O GLU A 44 -7.277 -11.470 0.120 1.00 0.00 O ATOM 701 CB GLU A 44 -9.031 -11.766 3.009 1.00 0.00 C ATOM 702 CG GLU A 44 -9.074 -13.286 3.176 1.00 0.00 C ATOM 703 CD GLU A 44 -9.797 -13.912 1.982 1.00 0.00 C ATOM 704 OE1 GLU A 44 -10.140 -13.177 1.071 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.994 -15.116 1.998 1.00 0.00 O ATOM 0 H GLU A 44 -7.962 -9.806 3.917 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.963 -12.193 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.229 -11.278 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.810 -11.443 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.062 -13.683 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.587 -13.546 4.102 1.00 0.00 H new ATOM 712 N GLN A 45 -8.363 -9.709 0.861 1.00 0.00 N ATOM 713 CA GLN A 45 -8.478 -9.141 -0.509 1.00 0.00 C ATOM 714 C GLN A 45 -7.079 -8.832 -1.034 1.00 0.00 C ATOM 715 O GLN A 45 -6.771 -9.045 -2.190 1.00 0.00 O ATOM 716 CB GLN A 45 -9.287 -7.853 -0.346 1.00 0.00 C ATOM 717 CG GLN A 45 -10.391 -7.806 -1.404 1.00 0.00 C ATOM 718 CD GLN A 45 -9.802 -7.344 -2.738 1.00 0.00 C ATOM 719 OE1 GLN A 45 -8.981 -8.023 -3.321 1.00 0.00 O ATOM 720 NE2 GLN A 45 -10.192 -6.208 -3.251 1.00 0.00 N ATOM 0 H GLN A 45 -8.784 -9.147 1.601 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.957 -9.823 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.723 -7.809 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.634 -6.986 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.844 -8.791 -1.516 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.182 -7.126 -1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.882 -5.637 -2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.807 -5.891 -4.141 1.00 0.00 H new ATOM 729 N LEU A 46 -6.225 -8.344 -0.178 1.00 0.00 N ATOM 730 CA LEU A 46 -4.836 -8.032 -0.605 1.00 0.00 C ATOM 731 C LEU A 46 -4.059 -9.336 -0.781 1.00 0.00 C ATOM 732 O LEU A 46 -3.229 -9.465 -1.660 1.00 0.00 O ATOM 733 CB LEU A 46 -4.252 -7.194 0.532 1.00 0.00 C ATOM 734 CG LEU A 46 -3.341 -6.113 -0.049 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.019 -4.749 0.089 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.011 -6.104 0.710 1.00 0.00 C ATOM 0 H LEU A 46 -6.432 -8.148 0.801 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.790 -7.498 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.055 -6.736 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.690 -7.830 1.215 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.155 -6.321 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.371 -3.977 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.965 -4.757 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.205 -4.540 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.361 -5.333 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.195 -5.896 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.529 -7.077 0.611 1.00 0.00 H new ATOM 748 N LYS A 47 -4.339 -10.313 0.039 1.00 0.00 N ATOM 749 CA LYS A 47 -3.634 -11.618 -0.091 1.00 0.00 C ATOM 750 C LYS A 47 -3.710 -12.080 -1.543 1.00 0.00 C ATOM 751 O LYS A 47 -2.753 -12.573 -2.105 1.00 0.00 O ATOM 752 CB LYS A 47 -4.397 -12.580 0.821 1.00 0.00 C ATOM 753 CG LYS A 47 -3.436 -13.177 1.851 1.00 0.00 C ATOM 754 CD LYS A 47 -4.086 -14.396 2.505 1.00 0.00 C ATOM 755 CE LYS A 47 -4.619 -14.010 3.886 1.00 0.00 C ATOM 756 NZ LYS A 47 -4.668 -15.287 4.648 1.00 0.00 N ATOM 0 H LYS A 47 -5.025 -10.263 0.792 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.581 -11.561 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.207 -12.054 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.853 -13.374 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.501 -13.464 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.189 -12.433 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.899 -14.767 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.360 -15.204 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.967 -13.284 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.607 -13.554 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.024 -15.105 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.301 -15.956 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.713 -15.694 4.705 1.00 0.00 H new ATOM 770 N SER A 48 -4.847 -11.903 -2.156 1.00 0.00 N ATOM 771 CA SER A 48 -5.000 -12.306 -3.580 1.00 0.00 C ATOM 772 C SER A 48 -4.189 -11.355 -4.457 1.00 0.00 C ATOM 773 O SER A 48 -3.573 -11.756 -5.423 1.00 0.00 O ATOM 774 CB SER A 48 -6.495 -12.179 -3.876 1.00 0.00 C ATOM 775 OG SER A 48 -7.108 -11.375 -2.876 1.00 0.00 O ATOM 0 H SER A 48 -5.679 -11.495 -1.730 1.00 0.00 H new ATOM 0 HA SER A 48 -4.644 -13.318 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.646 -11.733 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.958 -13.166 -3.899 1.00 0.00 H new ATOM 0 HG SER A 48 -6.882 -10.434 -3.029 1.00 0.00 H new ATOM 781 N ILE A 49 -4.169 -10.095 -4.115 1.00 0.00 N ATOM 782 CA ILE A 49 -3.379 -9.122 -4.918 1.00 0.00 C ATOM 783 C ILE A 49 -1.897 -9.501 -4.832 1.00 0.00 C ATOM 784 O ILE A 49 -1.238 -9.708 -5.832 1.00 0.00 O ATOM 785 CB ILE A 49 -3.680 -7.744 -4.289 1.00 0.00 C ATOM 786 CG1 ILE A 49 -4.192 -6.801 -5.379 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.428 -7.131 -3.646 1.00 0.00 C ATOM 788 CD1 ILE A 49 -3.207 -6.793 -6.551 1.00 0.00 C ATOM 0 H ILE A 49 -4.665 -9.699 -3.316 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.634 -9.113 -5.978 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.430 -7.881 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.176 -7.122 -5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.306 -5.793 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.678 -6.162 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.060 -7.794 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.656 -7.002 -4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.572 -6.121 -7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.232 -6.452 -6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.116 -7.801 -6.956 1.00 0.00 H new ATOM 800 N ARG A 50 -1.382 -9.624 -3.642 1.00 0.00 N ATOM 801 CA ARG A 50 0.044 -10.024 -3.490 1.00 0.00 C ATOM 802 C ARG A 50 0.246 -11.363 -4.194 1.00 0.00 C ATOM 803 O ARG A 50 1.270 -11.625 -4.793 1.00 0.00 O ATOM 804 CB ARG A 50 0.255 -10.164 -1.982 1.00 0.00 C ATOM 805 CG ARG A 50 1.716 -10.517 -1.696 1.00 0.00 C ATOM 806 CD ARG A 50 1.780 -11.510 -0.534 1.00 0.00 C ATOM 807 NE ARG A 50 3.164 -12.057 -0.570 1.00 0.00 N ATOM 808 CZ ARG A 50 3.362 -13.337 -0.423 1.00 0.00 C ATOM 809 NH1 ARG A 50 2.826 -14.181 -1.262 1.00 0.00 N ATOM 810 NH2 ARG A 50 4.093 -13.775 0.565 1.00 0.00 N ATOM 0 H ARG A 50 -1.885 -9.465 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 50 0.745 -9.310 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.009 -9.233 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.401 -10.938 -1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.178 -10.949 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.278 -9.616 -1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.575 -11.018 0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.040 -12.302 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 50 3.957 -11.431 -0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.252 -13.839 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.981 -15.183 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.510 -13.116 1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.248 -14.777 0.680 1.00 0.00 H new ATOM 824 N GLU A 51 -0.753 -12.200 -4.138 1.00 0.00 N ATOM 825 CA GLU A 51 -0.676 -13.524 -4.814 1.00 0.00 C ATOM 826 C GLU A 51 -0.703 -13.305 -6.321 1.00 0.00 C ATOM 827 O GLU A 51 0.206 -13.661 -7.042 1.00 0.00 O ATOM 828 CB GLU A 51 -1.940 -14.250 -4.348 1.00 0.00 C ATOM 829 CG GLU A 51 -2.343 -15.333 -5.353 1.00 0.00 C ATOM 830 CD GLU A 51 -1.131 -16.201 -5.699 1.00 0.00 C ATOM 831 OE1 GLU A 51 -0.110 -16.048 -5.050 1.00 0.00 O ATOM 832 OE2 GLU A 51 -1.246 -17.007 -6.608 1.00 0.00 O ATOM 0 H GLU A 51 -1.629 -12.020 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 51 0.227 -14.088 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.768 -14.700 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.754 -13.535 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.137 -15.952 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.741 -14.872 -6.257 1.00 0.00 H new ATOM 839 N ASP A 52 -1.743 -12.701 -6.796 1.00 0.00 N ATOM 840 CA ASP A 52 -1.825 -12.430 -8.255 1.00 0.00 C ATOM 841 C ASP A 52 -0.560 -11.687 -8.676 1.00 0.00 C ATOM 842 O ASP A 52 0.081 -12.032 -9.648 1.00 0.00 O ATOM 843 CB ASP A 52 -3.066 -11.554 -8.436 1.00 0.00 C ATOM 844 CG ASP A 52 -4.132 -12.325 -9.218 1.00 0.00 C ATOM 845 OD1 ASP A 52 -3.853 -13.443 -9.620 1.00 0.00 O ATOM 846 OD2 ASP A 52 -5.210 -11.785 -9.401 1.00 0.00 O ATOM 0 H ASP A 52 -2.540 -12.382 -6.245 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.900 -13.333 -8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.458 -11.257 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.803 -10.639 -8.966 1.00 0.00 H new ATOM 851 N ILE A 53 -0.171 -10.691 -7.926 1.00 0.00 N ATOM 852 CA ILE A 53 1.080 -9.964 -8.266 1.00 0.00 C ATOM 853 C ILE A 53 2.244 -10.938 -8.105 1.00 0.00 C ATOM 854 O ILE A 53 3.264 -10.827 -8.755 1.00 0.00 O ATOM 855 CB ILE A 53 1.175 -8.817 -7.258 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.149 -7.739 -7.620 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.581 -8.210 -7.297 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.188 -6.622 -6.575 1.00 0.00 C ATOM 0 H ILE A 53 -0.663 -10.353 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 53 1.097 -9.577 -9.285 1.00 0.00 H new ATOM 0 HB ILE A 53 0.973 -9.198 -6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.366 -7.334 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.850 -8.174 -7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.645 -7.393 -6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.315 -8.975 -7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.785 -7.829 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.543 -5.856 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.050 -7.033 -5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.184 -6.180 -6.552 1.00 0.00 H new ATOM 870 N VAL A 54 2.077 -11.914 -7.250 1.00 0.00 N ATOM 871 CA VAL A 54 3.146 -12.926 -7.051 1.00 0.00 C ATOM 872 C VAL A 54 3.300 -13.737 -8.342 1.00 0.00 C ATOM 873 O VAL A 54 4.339 -13.728 -8.972 1.00 0.00 O ATOM 874 CB VAL A 54 2.658 -13.785 -5.864 1.00 0.00 C ATOM 875 CG1 VAL A 54 2.755 -15.282 -6.182 1.00 0.00 C ATOM 876 CG2 VAL A 54 3.512 -13.481 -4.635 1.00 0.00 C ATOM 0 H VAL A 54 1.241 -12.050 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 54 4.126 -12.502 -6.833 1.00 0.00 H new ATOM 0 HB VAL A 54 1.613 -13.539 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.404 -15.859 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.138 -15.510 -7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.792 -15.542 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.170 -14.086 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.555 -13.715 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.422 -12.425 -4.382 1.00 0.00 H new ATOM 886 N SER A 55 2.266 -14.418 -8.752 1.00 0.00 N ATOM 887 CA SER A 55 2.357 -15.202 -10.017 1.00 0.00 C ATOM 888 C SER A 55 1.770 -14.397 -11.173 1.00 0.00 C ATOM 889 O SER A 55 0.733 -13.775 -11.047 1.00 0.00 O ATOM 890 CB SER A 55 1.540 -16.470 -9.793 1.00 0.00 C ATOM 891 OG SER A 55 1.073 -16.508 -8.452 1.00 0.00 O ATOM 0 H SER A 55 1.368 -14.466 -8.271 1.00 0.00 H new ATOM 0 HA SER A 55 3.392 -15.436 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.697 -16.497 -10.483 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.150 -17.349 -10.001 1.00 0.00 H new ATOM 0 HG SER A 55 0.118 -16.727 -8.444 1.00 0.00 H new ATOM 897 N GLY A 56 2.418 -14.405 -12.298 1.00 0.00 N ATOM 898 CA GLY A 56 1.897 -13.646 -13.460 1.00 0.00 C ATOM 899 C GLY A 56 2.374 -12.203 -13.372 1.00 0.00 C ATOM 900 O GLY A 56 1.967 -11.456 -12.505 1.00 0.00 O ATOM 0 H GLY A 56 3.290 -14.907 -12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.242 -14.099 -14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.808 -13.681 -13.473 1.00 0.00 H new ATOM 904 N LYS A 57 3.233 -11.805 -14.264 1.00 0.00 N ATOM 905 CA LYS A 57 3.743 -10.403 -14.247 1.00 0.00 C ATOM 906 C LYS A 57 2.609 -9.426 -14.578 1.00 0.00 C ATOM 907 O LYS A 57 2.706 -8.629 -15.490 1.00 0.00 O ATOM 908 CB LYS A 57 4.819 -10.363 -15.333 1.00 0.00 C ATOM 909 CG LYS A 57 5.473 -8.982 -15.353 1.00 0.00 C ATOM 910 CD LYS A 57 6.687 -9.003 -16.283 1.00 0.00 C ATOM 911 CE LYS A 57 7.280 -7.596 -16.378 1.00 0.00 C ATOM 912 NZ LYS A 57 8.688 -7.741 -15.913 1.00 0.00 N ATOM 0 H LYS A 57 3.608 -12.391 -15.010 1.00 0.00 H new ATOM 0 HA LYS A 57 4.136 -10.116 -13.272 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.570 -11.130 -15.144 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.378 -10.582 -16.305 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.756 -8.234 -15.691 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.779 -8.698 -14.346 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.435 -9.700 -15.906 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.395 -9.354 -17.273 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.238 -7.218 -17.399 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.729 -6.892 -15.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.163 -6.816 -15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.696 -8.096 -14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.190 -8.412 -16.529 1.00 0.00 H new ATOM 926 N ALA A 58 1.531 -9.490 -13.846 1.00 0.00 N ATOM 927 CA ALA A 58 0.383 -8.580 -14.111 1.00 0.00 C ATOM 928 C ALA A 58 0.828 -7.111 -14.089 1.00 0.00 C ATOM 929 O ALA A 58 2.004 -6.808 -14.116 1.00 0.00 O ATOM 930 CB ALA A 58 -0.587 -8.870 -12.971 1.00 0.00 C ATOM 0 H ALA A 58 1.396 -10.139 -13.070 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.061 -8.742 -15.093 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.472 -8.243 -13.078 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.879 -9.920 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.103 -8.655 -12.018 1.00 0.00 H new ATOM 936 N ASN A 59 -0.110 -6.198 -14.047 1.00 0.00 N ATOM 937 CA ASN A 59 0.250 -4.747 -14.031 1.00 0.00 C ATOM 938 C ASN A 59 0.372 -4.242 -12.589 1.00 0.00 C ATOM 939 O ASN A 59 0.573 -5.011 -11.670 1.00 0.00 O ATOM 940 CB ASN A 59 -0.905 -4.047 -14.751 1.00 0.00 C ATOM 941 CG ASN A 59 -0.458 -3.635 -16.156 1.00 0.00 C ATOM 942 OD1 ASN A 59 -0.718 -4.333 -17.116 1.00 0.00 O ATOM 943 ND2 ASN A 59 0.207 -2.524 -16.319 1.00 0.00 N ATOM 0 H ASN A 59 -1.110 -6.395 -14.023 1.00 0.00 H new ATOM 0 HA ASN A 59 1.209 -4.555 -14.512 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.766 -4.713 -14.813 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.221 -3.170 -14.187 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.508 -2.242 -17.252 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.426 -1.938 -15.514 1.00 0.00 H new ATOM 950 N PHE A 60 0.253 -2.955 -12.383 1.00 0.00 N ATOM 951 CA PHE A 60 0.366 -2.411 -10.995 1.00 0.00 C ATOM 952 C PHE A 60 0.147 -0.891 -10.974 1.00 0.00 C ATOM 953 O PHE A 60 -0.252 -0.329 -9.973 1.00 0.00 O ATOM 954 CB PHE A 60 1.791 -2.752 -10.557 1.00 0.00 C ATOM 955 CG PHE A 60 1.996 -2.337 -9.120 1.00 0.00 C ATOM 956 CD1 PHE A 60 2.174 -0.986 -8.797 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.014 -3.305 -8.109 1.00 0.00 C ATOM 958 CE1 PHE A 60 2.369 -0.603 -7.464 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.208 -2.923 -6.776 1.00 0.00 C ATOM 960 CZ PHE A 60 2.386 -1.572 -6.454 1.00 0.00 C ATOM 0 H PHE A 60 0.084 -2.261 -13.111 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.387 -2.836 -10.332 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.969 -3.822 -10.665 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.510 -2.243 -11.199 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.161 -0.239 -9.577 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.878 -4.347 -8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.506 0.439 -7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.220 -3.670 -5.996 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.536 -1.277 -5.426 1.00 0.00 H new ATOM 970 N GLU A 61 0.410 -0.216 -12.060 1.00 0.00 N ATOM 971 CA GLU A 61 0.218 1.263 -12.079 1.00 0.00 C ATOM 972 C GLU A 61 -1.274 1.610 -12.100 1.00 0.00 C ATOM 973 O GLU A 61 -1.865 1.888 -11.075 1.00 0.00 O ATOM 974 CB GLU A 61 0.900 1.734 -13.363 1.00 0.00 C ATOM 975 CG GLU A 61 2.413 1.539 -13.238 1.00 0.00 C ATOM 976 CD GLU A 61 3.028 2.745 -12.526 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.277 3.512 -11.946 1.00 0.00 O ATOM 978 OE2 GLU A 61 4.240 2.881 -12.571 1.00 0.00 O ATOM 0 H GLU A 61 0.748 -0.623 -12.932 1.00 0.00 H new ATOM 0 HA GLU A 61 0.637 1.743 -11.195 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.520 1.173 -14.216 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.672 2.784 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.628 0.627 -12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.858 1.421 -14.226 1.00 0.00 H new ATOM 985 N GLU A 62 -1.885 1.600 -13.256 1.00 0.00 N ATOM 986 CA GLU A 62 -3.339 1.930 -13.336 1.00 0.00 C ATOM 987 C GLU A 62 -4.089 1.285 -12.170 1.00 0.00 C ATOM 988 O GLU A 62 -4.914 1.908 -11.530 1.00 0.00 O ATOM 989 CB GLU A 62 -3.808 1.341 -14.667 1.00 0.00 C ATOM 990 CG GLU A 62 -3.388 2.262 -15.814 1.00 0.00 C ATOM 991 CD GLU A 62 -3.174 1.430 -17.081 1.00 0.00 C ATOM 992 OE1 GLU A 62 -3.826 0.408 -17.211 1.00 0.00 O ATOM 993 OE2 GLU A 62 -2.360 1.829 -17.897 1.00 0.00 O ATOM 0 H GLU A 62 -1.441 1.378 -14.147 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.523 3.003 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.379 0.349 -14.808 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.891 1.222 -14.661 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.154 3.018 -15.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.471 2.791 -15.554 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.806 0.045 -11.882 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.502 -0.625 -10.749 1.00 0.00 C ATOM 1002 C VAL A 63 -4.227 0.146 -9.454 1.00 0.00 C ATOM 1003 O VAL A 63 -5.105 0.354 -8.641 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.920 -2.052 -10.707 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -2.765 -2.144 -9.704 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -5.020 -3.032 -10.297 1.00 0.00 C ATOM 0 H VAL A 63 -3.127 -0.531 -12.379 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.585 -0.654 -10.867 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.540 -2.301 -11.698 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.372 -3.161 -9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.974 -1.452 -9.995 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.126 -1.884 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.614 -4.043 -10.266 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.398 -2.762 -9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.833 -2.990 -11.022 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.010 0.576 -9.268 1.00 0.00 N ATOM 1017 CA ALA A 64 -2.655 1.340 -8.036 1.00 0.00 C ATOM 1018 C ALA A 64 -3.439 2.651 -7.972 1.00 0.00 C ATOM 1019 O ALA A 64 -3.588 3.246 -6.925 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.163 1.627 -8.180 1.00 0.00 C ATOM 0 H ALA A 64 -2.240 0.431 -9.921 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.890 0.787 -7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.815 2.189 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.616 0.686 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.990 2.211 -9.084 1.00 0.00 H new ATOM 1026 N THR A 65 -3.930 3.110 -9.087 1.00 0.00 N ATOM 1027 CA THR A 65 -4.693 4.391 -9.092 1.00 0.00 C ATOM 1028 C THR A 65 -6.184 4.136 -8.847 1.00 0.00 C ATOM 1029 O THR A 65 -6.843 4.882 -8.151 1.00 0.00 O ATOM 1030 CB THR A 65 -4.478 4.980 -10.489 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.472 4.241 -11.168 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.044 6.443 -10.369 1.00 0.00 C ATOM 0 H THR A 65 -3.837 2.656 -9.995 1.00 0.00 H new ATOM 0 HA THR A 65 -4.356 5.065 -8.304 1.00 0.00 H new ATOM 0 HB THR A 65 -5.410 4.924 -11.051 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.110 4.779 -11.903 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.892 6.860 -11.364 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.818 7.011 -9.852 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.113 6.501 -9.805 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.727 3.101 -9.425 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.180 2.821 -9.232 1.00 0.00 C ATOM 1042 C ARG A 66 -8.406 1.807 -8.104 1.00 0.00 C ATOM 1043 O ARG A 66 -9.485 1.717 -7.553 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.648 2.249 -10.568 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.173 2.324 -10.649 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.654 1.593 -11.904 1.00 0.00 C ATOM 1047 NE ARG A 66 -11.991 2.177 -12.203 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.084 3.409 -12.623 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -11.412 3.792 -13.673 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.852 4.256 -11.993 1.00 0.00 N ATOM 0 H ARG A 66 -6.231 2.438 -10.021 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.730 3.718 -8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.202 2.807 -11.391 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.318 1.215 -10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.617 1.875 -9.761 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.496 3.365 -10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.964 1.740 -12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.722 0.519 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.833 1.615 -12.080 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.814 3.129 -14.166 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.484 4.755 -14.002 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.379 3.955 -11.173 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.925 5.219 -12.321 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.409 1.037 -7.762 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.596 0.029 -6.677 1.00 0.00 C ATOM 1066 C VAL A 67 -7.159 0.603 -5.322 1.00 0.00 C ATOM 1067 O VAL A 67 -7.251 -0.057 -4.308 1.00 0.00 O ATOM 1068 CB VAL A 67 -6.722 -1.168 -7.088 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.308 -1.033 -6.509 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.355 -2.459 -6.565 1.00 0.00 C ATOM 0 H VAL A 67 -6.480 1.061 -8.182 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.640 -0.260 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.656 -1.193 -8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.707 -1.890 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.848 -0.118 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.362 -0.995 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.738 -3.310 -6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.426 -2.415 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.353 -2.573 -6.989 1.00 0.00 H new ATOM 1080 N SER A 68 -6.692 1.823 -5.294 1.00 0.00 N ATOM 1081 CA SER A 68 -6.258 2.420 -4.001 1.00 0.00 C ATOM 1082 C SER A 68 -7.439 3.141 -3.346 1.00 0.00 C ATOM 1083 O SER A 68 -8.291 3.684 -4.020 1.00 0.00 O ATOM 1084 CB SER A 68 -5.161 3.409 -4.381 1.00 0.00 C ATOM 1085 OG SER A 68 -5.749 4.544 -5.000 1.00 0.00 O ATOM 0 H SER A 68 -6.593 2.429 -6.109 1.00 0.00 H new ATOM 0 HA SER A 68 -5.902 1.677 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.604 3.711 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.449 2.938 -5.059 1.00 0.00 H new ATOM 0 HG SER A 68 -6.021 4.314 -5.913 1.00 0.00 H new ATOM 1091 N ASP A 69 -7.502 3.148 -2.041 1.00 0.00 N ATOM 1092 CA ASP A 69 -8.636 3.837 -1.360 1.00 0.00 C ATOM 1093 C ASP A 69 -8.888 5.181 -2.037 1.00 0.00 C ATOM 1094 O ASP A 69 -9.983 5.478 -2.474 1.00 0.00 O ATOM 1095 CB ASP A 69 -8.185 4.042 0.086 1.00 0.00 C ATOM 1096 CG ASP A 69 -9.376 4.495 0.934 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -10.044 5.432 0.530 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -9.600 3.896 1.973 1.00 0.00 O ATOM 0 H ASP A 69 -6.822 2.709 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.561 3.262 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.773 3.115 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.391 4.787 0.128 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.869 5.984 -2.138 1.00 0.00 N ATOM 1104 CA CYS A 70 -8.015 7.309 -2.800 1.00 0.00 C ATOM 1105 C CYS A 70 -6.672 8.038 -2.808 1.00 0.00 C ATOM 1106 O CYS A 70 -6.052 8.204 -3.839 1.00 0.00 O ATOM 1107 CB CYS A 70 -9.041 8.074 -1.962 1.00 0.00 C ATOM 1108 SG CYS A 70 -9.651 9.494 -2.904 1.00 0.00 S ATOM 0 H CYS A 70 -6.933 5.778 -1.788 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.337 7.218 -3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.870 7.418 -1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.587 8.410 -1.030 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.525 10.143 -2.193 1.00 0.00 H new ATOM 1114 N SER A 71 -6.209 8.464 -1.667 1.00 0.00 N ATOM 1115 CA SER A 71 -4.896 9.164 -1.619 1.00 0.00 C ATOM 1116 C SER A 71 -3.896 8.385 -2.460 1.00 0.00 C ATOM 1117 O SER A 71 -3.339 8.888 -3.416 1.00 0.00 O ATOM 1118 CB SER A 71 -4.495 9.147 -0.146 1.00 0.00 C ATOM 1119 OG SER A 71 -3.250 9.814 0.013 1.00 0.00 O ATOM 0 H SER A 71 -6.681 8.358 -0.769 1.00 0.00 H new ATOM 0 HA SER A 71 -4.935 10.182 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.261 9.635 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.417 8.119 0.209 1.00 0.00 H new ATOM 0 HG SER A 71 -2.993 9.805 0.959 1.00 0.00 H new ATOM 1125 N SER A 72 -3.686 7.148 -2.124 1.00 0.00 N ATOM 1126 CA SER A 72 -2.746 6.319 -2.921 1.00 0.00 C ATOM 1127 C SER A 72 -3.128 6.420 -4.396 1.00 0.00 C ATOM 1128 O SER A 72 -2.281 6.431 -5.265 1.00 0.00 O ATOM 1129 CB SER A 72 -2.928 4.892 -2.404 1.00 0.00 C ATOM 1130 OG SER A 72 -1.964 4.632 -1.393 1.00 0.00 O ATOM 0 H SER A 72 -4.123 6.675 -1.333 1.00 0.00 H new ATOM 0 HA SER A 72 -1.708 6.639 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.934 4.763 -2.005 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.816 4.180 -3.221 1.00 0.00 H new ATOM 0 HG SER A 72 -1.067 4.639 -1.787 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.397 6.528 -4.692 1.00 0.00 N ATOM 1137 CA ALA A 73 -4.798 6.666 -6.119 1.00 0.00 C ATOM 1138 C ALA A 73 -3.954 7.781 -6.729 1.00 0.00 C ATOM 1139 O ALA A 73 -3.472 7.683 -7.840 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.281 7.042 -6.106 1.00 0.00 C ATOM 0 H ALA A 73 -5.162 6.527 -4.017 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.647 5.757 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.636 7.158 -7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.851 6.256 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.414 7.980 -5.567 1.00 0.00 H new ATOM 1146 N LYS A 74 -3.740 8.828 -5.977 1.00 0.00 N ATOM 1147 CA LYS A 74 -2.889 9.945 -6.468 1.00 0.00 C ATOM 1148 C LYS A 74 -1.440 9.459 -6.489 1.00 0.00 C ATOM 1149 O LYS A 74 -0.629 9.889 -7.286 1.00 0.00 O ATOM 1150 CB LYS A 74 -3.073 11.063 -5.436 1.00 0.00 C ATOM 1151 CG LYS A 74 -2.455 12.359 -5.968 1.00 0.00 C ATOM 1152 CD LYS A 74 -1.776 13.112 -4.820 1.00 0.00 C ATOM 1153 CE LYS A 74 -2.792 14.034 -4.141 1.00 0.00 C ATOM 1154 NZ LYS A 74 -2.307 15.414 -4.420 1.00 0.00 N ATOM 0 H LYS A 74 -4.121 8.956 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.148 10.288 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.133 11.211 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.602 10.783 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.729 12.134 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.226 12.983 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.371 12.404 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.937 13.695 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.794 13.879 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.844 13.843 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.953 16.104 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.354 15.534 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.275 15.570 -5.448 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.129 8.545 -5.610 1.00 0.00 N ATOM 1169 CA ARG A 75 0.246 7.978 -5.540 1.00 0.00 C ATOM 1170 C ARG A 75 0.206 6.499 -5.933 1.00 0.00 C ATOM 1171 O ARG A 75 0.832 5.663 -5.312 1.00 0.00 O ATOM 1172 CB ARG A 75 0.649 8.122 -4.072 1.00 0.00 C ATOM 1173 CG ARG A 75 2.062 8.686 -3.987 1.00 0.00 C ATOM 1174 CD ARG A 75 2.594 8.527 -2.562 1.00 0.00 C ATOM 1175 NE ARG A 75 1.699 9.373 -1.725 1.00 0.00 N ATOM 1176 CZ ARG A 75 2.198 10.348 -1.016 1.00 0.00 C ATOM 1177 NH1 ARG A 75 3.115 11.124 -1.527 1.00 0.00 N ATOM 1178 NH2 ARG A 75 1.780 10.548 0.203 1.00 0.00 N ATOM 0 H ARG A 75 -1.782 8.162 -4.926 1.00 0.00 H new ATOM 0 HA ARG A 75 0.946 8.479 -6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.049 8.781 -3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.602 7.154 -3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.714 8.167 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.062 9.739 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.565 7.485 -2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.631 8.855 -2.488 1.00 0.00 H new ATOM 0 HE ARG A 75 0.696 9.190 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.441 10.968 -2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.505 11.886 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.063 9.942 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.170 11.310 0.757 1.00 0.00 H new ATOM 1192 N GLY A 76 -0.538 6.172 -6.953 1.00 0.00 N ATOM 1193 CA GLY A 76 -0.637 4.749 -7.382 1.00 0.00 C ATOM 1194 C GLY A 76 0.713 4.286 -7.913 1.00 0.00 C ATOM 1195 O GLY A 76 0.952 3.109 -8.094 1.00 0.00 O ATOM 0 H GLY A 76 -1.083 6.831 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.943 4.125 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.400 4.642 -8.153 1.00 0.00 H new ATOM 1199 N GLY A 77 1.602 5.203 -8.162 1.00 0.00 N ATOM 1200 CA GLY A 77 2.937 4.810 -8.680 1.00 0.00 C ATOM 1201 C GLY A 77 3.828 4.389 -7.513 1.00 0.00 C ATOM 1202 O GLY A 77 3.649 3.339 -6.916 1.00 0.00 O ATOM 0 H GLY A 77 1.462 6.205 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.837 3.989 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.391 5.643 -9.217 1.00 0.00 H new ATOM 1206 N ASP A 78 4.789 5.197 -7.176 1.00 0.00 N ATOM 1207 CA ASP A 78 5.686 4.831 -6.050 1.00 0.00 C ATOM 1208 C ASP A 78 5.998 6.047 -5.179 1.00 0.00 C ATOM 1209 O ASP A 78 5.686 7.171 -5.519 1.00 0.00 O ATOM 1210 CB ASP A 78 6.963 4.313 -6.713 1.00 0.00 C ATOM 1211 CG ASP A 78 7.594 5.428 -7.549 1.00 0.00 C ATOM 1212 OD1 ASP A 78 7.070 6.529 -7.524 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.591 5.162 -8.200 1.00 0.00 O ATOM 0 H ASP A 78 4.992 6.089 -7.627 1.00 0.00 H new ATOM 0 HA ASP A 78 5.227 4.090 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.666 3.971 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.735 3.455 -7.345 1.00 0.00 H new ATOM 1218 N LEU A 79 6.630 5.822 -4.061 1.00 0.00 N ATOM 1219 CA LEU A 79 6.990 6.953 -3.162 1.00 0.00 C ATOM 1220 C LEU A 79 8.212 7.663 -3.736 1.00 0.00 C ATOM 1221 O LEU A 79 8.184 8.835 -4.059 1.00 0.00 O ATOM 1222 CB LEU A 79 7.341 6.302 -1.818 1.00 0.00 C ATOM 1223 CG LEU A 79 6.114 5.593 -1.237 1.00 0.00 C ATOM 1224 CD1 LEU A 79 6.008 4.182 -1.817 1.00 0.00 C ATOM 1225 CD2 LEU A 79 6.256 5.501 0.284 1.00 0.00 C ATOM 0 H LEU A 79 6.914 4.900 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 79 6.188 7.684 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.153 5.587 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.696 7.060 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 79 5.218 6.158 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.134 3.682 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.910 4.241 -2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.904 3.616 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.384 4.997 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.155 4.936 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.330 6.504 0.704 1.00 0.00 H new ATOM 1237 N GLY A 80 9.286 6.942 -3.857 1.00 0.00 N ATOM 1238 CA GLY A 80 10.538 7.518 -4.400 1.00 0.00 C ATOM 1239 C GLY A 80 11.651 7.245 -3.406 1.00 0.00 C ATOM 1240 O GLY A 80 12.378 6.283 -3.524 1.00 0.00 O ATOM 0 H GLY A 80 9.348 5.958 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.774 7.074 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.426 8.590 -4.561 1.00 0.00 H new ATOM 1244 N SER A 81 11.774 8.078 -2.417 1.00 0.00 N ATOM 1245 CA SER A 81 12.841 7.871 -1.404 1.00 0.00 C ATOM 1246 C SER A 81 12.466 8.517 -0.071 1.00 0.00 C ATOM 1247 O SER A 81 11.954 9.618 -0.021 1.00 0.00 O ATOM 1248 CB SER A 81 14.064 8.554 -1.993 1.00 0.00 C ATOM 1249 OG SER A 81 14.131 9.893 -1.519 1.00 0.00 O ATOM 0 H SER A 81 11.182 8.894 -2.265 1.00 0.00 H new ATOM 0 HA SER A 81 13.007 6.814 -1.198 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.967 8.012 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.011 8.544 -3.082 1.00 0.00 H new ATOM 0 HG SER A 81 14.445 9.896 -0.591 1.00 0.00 H new ATOM 1255 N PHE A 82 12.731 7.841 1.010 1.00 0.00 N ATOM 1256 CA PHE A 82 12.409 8.406 2.349 1.00 0.00 C ATOM 1257 C PHE A 82 13.004 7.509 3.435 1.00 0.00 C ATOM 1258 O PHE A 82 13.995 6.842 3.220 1.00 0.00 O ATOM 1259 CB PHE A 82 10.881 8.420 2.422 1.00 0.00 C ATOM 1260 CG PHE A 82 10.346 7.037 2.140 1.00 0.00 C ATOM 1261 CD1 PHE A 82 10.196 6.598 0.818 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.997 6.193 3.200 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.699 5.317 0.558 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.499 4.912 2.940 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.350 4.475 1.618 1.00 0.00 C ATOM 0 H PHE A 82 13.160 6.915 1.024 1.00 0.00 H new ATOM 0 HA PHE A 82 12.820 9.405 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.557 8.751 3.409 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.479 9.130 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.464 7.249 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.112 6.531 4.219 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.585 4.978 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.230 4.261 3.758 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.965 3.486 1.417 1.00 0.00 H new ATOM 1275 N GLY A 83 12.418 7.478 4.597 1.00 0.00 N ATOM 1276 CA GLY A 83 12.973 6.611 5.673 1.00 0.00 C ATOM 1277 C GLY A 83 12.971 7.363 7.002 1.00 0.00 C ATOM 1278 O GLY A 83 12.219 7.051 7.904 1.00 0.00 O ATOM 0 H GLY A 83 11.585 8.011 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.380 5.701 5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.989 6.307 5.419 1.00 0.00 H new ATOM 1282 N ARG A 84 13.812 8.346 7.130 1.00 0.00 N ATOM 1283 CA ARG A 84 13.868 9.119 8.404 1.00 0.00 C ATOM 1284 C ARG A 84 12.921 10.320 8.335 1.00 0.00 C ATOM 1285 O ARG A 84 13.343 11.457 8.389 1.00 0.00 O ATOM 1286 CB ARG A 84 15.320 9.593 8.530 1.00 0.00 C ATOM 1287 CG ARG A 84 16.282 8.499 8.051 1.00 0.00 C ATOM 1288 CD ARG A 84 15.878 7.145 8.645 1.00 0.00 C ATOM 1289 NE ARG A 84 15.763 7.382 10.110 1.00 0.00 N ATOM 1290 CZ ARG A 84 15.402 6.409 10.900 1.00 0.00 C ATOM 1291 NH1 ARG A 84 14.136 6.174 11.108 1.00 0.00 N ATOM 1292 NH2 ARG A 84 16.307 5.669 11.482 1.00 0.00 N ATOM 0 H ARG A 84 14.465 8.651 6.408 1.00 0.00 H new ATOM 0 HA ARG A 84 13.563 8.517 9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.466 10.498 7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.537 9.849 9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.271 8.445 6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.302 8.745 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.933 6.797 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.624 6.381 8.427 1.00 0.00 H new ATOM 0 HE ARG A 84 15.966 8.304 10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.429 6.751 10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.853 5.413 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.297 5.852 11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.024 4.908 12.100 1.00 0.00 H new ATOM 1306 N GLY A 85 11.643 10.078 8.215 1.00 0.00 N ATOM 1307 CA GLY A 85 10.677 11.212 8.143 1.00 0.00 C ATOM 1308 C GLY A 85 9.310 10.701 7.681 1.00 0.00 C ATOM 1309 O GLY A 85 8.285 11.268 8.005 1.00 0.00 O ATOM 0 H GLY A 85 11.228 9.148 8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 85 10.587 11.687 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.044 11.971 7.452 1.00 0.00 H new ATOM 1313 N GLN A 86 9.285 9.637 6.927 1.00 0.00 N ATOM 1314 CA GLN A 86 7.979 9.093 6.446 1.00 0.00 C ATOM 1315 C GLN A 86 7.865 7.616 6.809 1.00 0.00 C ATOM 1316 O GLN A 86 8.824 6.995 7.219 1.00 0.00 O ATOM 1317 CB GLN A 86 7.999 9.238 4.921 1.00 0.00 C ATOM 1318 CG GLN A 86 8.733 10.512 4.520 1.00 0.00 C ATOM 1319 CD GLN A 86 8.445 10.825 3.050 1.00 0.00 C ATOM 1320 OE1 GLN A 86 8.246 9.929 2.255 1.00 0.00 O ATOM 1321 NE2 GLN A 86 8.412 12.067 2.652 1.00 0.00 N ATOM 0 H GLN A 86 10.110 9.120 6.622 1.00 0.00 H new ATOM 0 HA GLN A 86 7.138 9.620 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.487 8.373 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.979 9.262 4.538 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.413 11.342 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.805 10.391 4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.579 12.821 3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.219 12.284 1.674 1.00 0.00 H new ATOM 1330 N MET A 87 6.708 7.042 6.639 1.00 0.00 N ATOM 1331 CA MET A 87 6.553 5.596 6.952 1.00 0.00 C ATOM 1332 C MET A 87 7.090 5.298 8.356 1.00 0.00 C ATOM 1333 O MET A 87 8.281 5.185 8.566 1.00 0.00 O ATOM 1334 CB MET A 87 7.396 4.907 5.886 1.00 0.00 C ATOM 1335 CG MET A 87 6.502 4.562 4.696 1.00 0.00 C ATOM 1336 SD MET A 87 5.624 6.046 4.148 1.00 0.00 S ATOM 1337 CE MET A 87 7.027 6.828 3.325 1.00 0.00 C ATOM 0 H MET A 87 5.867 7.509 6.299 1.00 0.00 H new ATOM 0 HA MET A 87 5.516 5.261 6.946 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.210 5.559 5.569 1.00 0.00 H new ATOM 0 HB3 MET A 87 7.851 4.003 6.291 1.00 0.00 H new ATOM 0 HG2 MET A 87 7.104 4.161 3.880 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.788 3.787 4.977 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.710 7.774 2.885 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.818 7.013 4.052 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.401 6.170 2.540 1.00 0.00 H new ATOM 1347 N GLN A 88 6.220 5.184 9.322 1.00 0.00 N ATOM 1348 CA GLN A 88 6.683 4.912 10.714 1.00 0.00 C ATOM 1349 C GLN A 88 7.291 3.504 10.831 1.00 0.00 C ATOM 1350 O GLN A 88 8.104 3.101 10.023 1.00 0.00 O ATOM 1351 CB GLN A 88 5.426 5.051 11.578 1.00 0.00 C ATOM 1352 CG GLN A 88 5.828 5.392 13.015 1.00 0.00 C ATOM 1353 CD GLN A 88 5.777 6.907 13.215 1.00 0.00 C ATOM 1354 OE1 GLN A 88 5.126 7.609 12.467 1.00 0.00 O ATOM 1355 NE2 GLN A 88 6.438 7.444 14.203 1.00 0.00 N ATOM 0 H GLN A 88 5.210 5.267 9.209 1.00 0.00 H new ATOM 0 HA GLN A 88 7.470 5.599 11.027 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.780 5.831 11.175 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.855 4.123 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.156 4.899 13.718 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.832 5.021 13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.985 6.855 14.831 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.408 8.453 14.348 1.00 0.00 H new ATOM 1364 N LYS A 89 6.924 2.766 11.846 1.00 0.00 N ATOM 1365 CA LYS A 89 7.497 1.399 12.040 1.00 0.00 C ATOM 1366 C LYS A 89 6.867 0.328 11.122 1.00 0.00 C ATOM 1367 O LYS A 89 7.520 -0.649 10.809 1.00 0.00 O ATOM 1368 CB LYS A 89 7.200 1.066 13.503 1.00 0.00 C ATOM 1369 CG LYS A 89 8.511 1.007 14.292 1.00 0.00 C ATOM 1370 CD LYS A 89 8.471 2.029 15.430 1.00 0.00 C ATOM 1371 CE LYS A 89 9.740 2.883 15.393 1.00 0.00 C ATOM 1372 NZ LYS A 89 10.060 3.162 16.820 1.00 0.00 N ATOM 0 H LYS A 89 6.248 3.053 12.554 1.00 0.00 H new ATOM 0 HA LYS A 89 8.558 1.395 11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.540 1.820 13.931 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.680 0.111 13.571 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.660 0.005 14.694 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.354 1.215 13.633 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.590 2.663 15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.391 1.518 16.389 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.557 2.355 14.902 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.578 3.807 14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.920 3.744 16.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.268 3.672 17.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.216 2.265 17.323 1.00 0.00 H new ATOM 1386 N PRO A 90 5.622 0.501 10.734 1.00 0.00 N ATOM 1387 CA PRO A 90 4.966 -0.525 9.887 1.00 0.00 C ATOM 1388 C PRO A 90 5.532 -0.523 8.464 1.00 0.00 C ATOM 1389 O PRO A 90 6.458 -1.249 8.161 1.00 0.00 O ATOM 1390 CB PRO A 90 3.493 -0.128 9.905 1.00 0.00 C ATOM 1391 CG PRO A 90 3.485 1.333 10.210 1.00 0.00 C ATOM 1392 CD PRO A 90 4.723 1.629 11.018 1.00 0.00 C ATOM 0 HA PRO A 90 5.129 -1.538 10.255 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.018 -0.332 8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.943 -0.691 10.659 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.478 1.918 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.588 1.604 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.171 2.578 10.725 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.496 1.699 12.082 1.00 0.00 H new ATOM 1400 N PHE A 91 4.980 0.266 7.583 1.00 0.00 N ATOM 1401 CA PHE A 91 5.492 0.280 6.179 1.00 0.00 C ATOM 1402 C PHE A 91 7.017 0.243 6.156 1.00 0.00 C ATOM 1403 O PHE A 91 7.618 -0.609 5.538 1.00 0.00 O ATOM 1404 CB PHE A 91 4.996 1.593 5.566 1.00 0.00 C ATOM 1405 CG PHE A 91 5.523 1.708 4.150 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.897 1.873 3.918 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.642 1.632 3.066 1.00 0.00 C ATOM 1408 CE1 PHE A 91 7.384 1.959 2.619 1.00 0.00 C ATOM 1409 CE2 PHE A 91 5.134 1.725 1.756 1.00 0.00 C ATOM 1410 CZ PHE A 91 6.506 1.886 1.534 1.00 0.00 C ATOM 0 H PHE A 91 4.202 0.898 7.771 1.00 0.00 H new ATOM 0 HA PHE A 91 5.140 -0.590 5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.906 1.620 5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.335 2.439 6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.579 1.933 4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.584 1.502 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.443 2.082 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.454 1.672 0.919 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.886 1.954 0.525 1.00 0.00 H new ATOM 1420 N GLU A 92 7.644 1.186 6.793 1.00 0.00 N ATOM 1421 CA GLU A 92 9.135 1.237 6.785 1.00 0.00 C ATOM 1422 C GLU A 92 9.728 -0.165 6.910 1.00 0.00 C ATOM 1423 O GLU A 92 10.409 -0.641 6.023 1.00 0.00 O ATOM 1424 CB GLU A 92 9.510 2.088 7.997 1.00 0.00 C ATOM 1425 CG GLU A 92 10.948 2.588 7.846 1.00 0.00 C ATOM 1426 CD GLU A 92 11.034 4.041 8.317 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.568 4.906 7.594 1.00 0.00 O ATOM 1428 OE2 GLU A 92 11.563 4.265 9.393 1.00 0.00 O ATOM 0 H GLU A 92 7.189 1.929 7.323 1.00 0.00 H new ATOM 0 HA GLU A 92 9.521 1.654 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.828 2.933 8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.412 1.502 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.625 1.964 8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.263 2.512 6.805 1.00 0.00 H new ATOM 1435 N GLU A 93 9.481 -0.831 8.000 1.00 0.00 N ATOM 1436 CA GLU A 93 10.043 -2.201 8.165 1.00 0.00 C ATOM 1437 C GLU A 93 9.681 -3.058 6.949 1.00 0.00 C ATOM 1438 O GLU A 93 10.307 -4.062 6.674 1.00 0.00 O ATOM 1439 CB GLU A 93 9.404 -2.751 9.445 1.00 0.00 C ATOM 1440 CG GLU A 93 7.985 -3.249 9.153 1.00 0.00 C ATOM 1441 CD GLU A 93 7.952 -4.776 9.235 1.00 0.00 C ATOM 1442 OE1 GLU A 93 8.284 -5.301 10.286 1.00 0.00 O ATOM 1443 OE2 GLU A 93 7.597 -5.396 8.246 1.00 0.00 O ATOM 0 H GLU A 93 8.919 -0.491 8.780 1.00 0.00 H new ATOM 0 HA GLU A 93 11.131 -2.202 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.009 -3.566 9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.375 -1.974 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.284 -2.821 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.670 -2.921 8.163 1.00 0.00 H new ATOM 1450 N ALA A 94 8.678 -2.661 6.214 1.00 0.00 N ATOM 1451 CA ALA A 94 8.276 -3.438 5.008 1.00 0.00 C ATOM 1452 C ALA A 94 9.281 -3.205 3.883 1.00 0.00 C ATOM 1453 O ALA A 94 9.868 -4.130 3.358 1.00 0.00 O ATOM 1454 CB ALA A 94 6.905 -2.884 4.617 1.00 0.00 C ATOM 0 H ALA A 94 8.118 -1.829 6.398 1.00 0.00 H new ATOM 0 HA ALA A 94 8.243 -4.511 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.540 -3.407 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.205 -3.030 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.992 -1.820 4.398 1.00 0.00 H new ATOM 1460 N THR A 95 9.488 -1.974 3.517 1.00 0.00 N ATOM 1461 CA THR A 95 10.462 -1.677 2.433 1.00 0.00 C ATOM 1462 C THR A 95 11.875 -1.955 2.939 1.00 0.00 C ATOM 1463 O THR A 95 12.761 -2.306 2.185 1.00 0.00 O ATOM 1464 CB THR A 95 10.271 -0.193 2.123 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.902 0.051 1.837 1.00 0.00 O ATOM 1466 CG2 THR A 95 11.123 0.191 0.913 1.00 0.00 C ATOM 0 H THR A 95 9.025 -1.160 3.921 1.00 0.00 H new ATOM 0 HA THR A 95 10.311 -2.288 1.543 1.00 0.00 H new ATOM 0 HB THR A 95 10.578 0.403 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.500 0.561 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.986 1.250 0.693 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.173 -0.001 1.132 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.818 -0.401 0.050 1.00 0.00 H new ATOM 1474 N TYR A 96 12.085 -1.818 4.220 1.00 0.00 N ATOM 1475 CA TYR A 96 13.432 -2.092 4.788 1.00 0.00 C ATOM 1476 C TYR A 96 13.646 -3.605 4.879 1.00 0.00 C ATOM 1477 O TYR A 96 14.759 -4.091 4.857 1.00 0.00 O ATOM 1478 CB TYR A 96 13.408 -1.467 6.183 1.00 0.00 C ATOM 1479 CG TYR A 96 13.936 -0.055 6.107 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.312 0.173 5.991 1.00 0.00 C ATOM 1481 CD2 TYR A 96 13.047 1.026 6.147 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.800 1.484 5.917 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.535 2.336 6.071 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.911 2.565 5.956 1.00 0.00 C ATOM 1485 OH TYR A 96 15.391 3.856 5.879 1.00 0.00 O ATOM 0 H TYR A 96 11.380 -1.528 4.897 1.00 0.00 H new ATOM 0 HA TYR A 96 14.239 -1.684 4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.391 -1.467 6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.015 -2.058 6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.997 -0.661 5.959 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.985 0.849 6.236 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.862 1.661 5.830 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.850 3.170 6.101 1.00 0.00 H new ATOM 0 HH TYR A 96 16.216 3.867 5.350 1.00 0.00 H new ATOM 1495 N ALA A 97 12.576 -4.350 4.976 1.00 0.00 N ATOM 1496 CA ALA A 97 12.697 -5.835 5.063 1.00 0.00 C ATOM 1497 C ALA A 97 12.810 -6.437 3.659 1.00 0.00 C ATOM 1498 O ALA A 97 13.604 -7.323 3.413 1.00 0.00 O ATOM 1499 CB ALA A 97 11.403 -6.294 5.738 1.00 0.00 C ATOM 0 H ALA A 97 11.621 -3.993 4.999 1.00 0.00 H new ATOM 0 HA ALA A 97 13.582 -6.148 5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.411 -7.379 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.325 -5.837 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.549 -5.993 5.131 1.00 0.00 H new ATOM 1505 N LEU A 98 12.019 -5.960 2.736 1.00 0.00 N ATOM 1506 CA LEU A 98 12.074 -6.501 1.347 1.00 0.00 C ATOM 1507 C LEU A 98 13.211 -5.835 0.564 1.00 0.00 C ATOM 1508 O LEU A 98 13.268 -4.628 0.441 1.00 0.00 O ATOM 1509 CB LEU A 98 10.719 -6.143 0.734 1.00 0.00 C ATOM 1510 CG LEU A 98 10.306 -7.220 -0.269 1.00 0.00 C ATOM 1511 CD1 LEU A 98 9.163 -8.051 0.316 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.836 -6.552 -1.563 1.00 0.00 C ATOM 0 H LEU A 98 11.336 -5.217 2.884 1.00 0.00 H new ATOM 0 HA LEU A 98 12.262 -7.574 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.967 -6.055 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.778 -5.174 0.238 1.00 0.00 H new ATOM 0 HG LEU A 98 11.157 -7.868 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.868 -8.819 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.493 -8.524 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.311 -7.403 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.541 -7.317 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.984 -5.906 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.648 -5.957 -1.981 1.00 0.00 H new ATOM 1524 N LYS A 99 14.116 -6.613 0.032 1.00 0.00 N ATOM 1525 CA LYS A 99 15.247 -6.022 -0.742 1.00 0.00 C ATOM 1526 C LYS A 99 15.287 -6.610 -2.156 1.00 0.00 C ATOM 1527 O LYS A 99 16.171 -7.370 -2.498 1.00 0.00 O ATOM 1528 CB LYS A 99 16.506 -6.409 0.035 1.00 0.00 C ATOM 1529 CG LYS A 99 17.722 -5.716 -0.584 1.00 0.00 C ATOM 1530 CD LYS A 99 18.635 -5.191 0.525 1.00 0.00 C ATOM 1531 CE LYS A 99 19.609 -4.165 -0.058 1.00 0.00 C ATOM 1532 NZ LYS A 99 20.504 -4.948 -0.955 1.00 0.00 N ATOM 0 H LYS A 99 14.121 -7.631 0.100 1.00 0.00 H new ATOM 0 HA LYS A 99 15.151 -4.942 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.403 -6.121 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.641 -7.490 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.268 -6.415 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.399 -4.894 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 99 18.039 -4.734 1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.186 -6.015 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.080 -3.388 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.176 -3.668 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.351 -4.386 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.787 -5.829 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.000 -5.176 -1.835 1.00 0.00 H new ATOM 1546 N VAL A 100 14.335 -6.265 -2.980 1.00 0.00 N ATOM 1547 CA VAL A 100 14.318 -6.804 -4.371 1.00 0.00 C ATOM 1548 C VAL A 100 14.436 -8.329 -4.346 1.00 0.00 C ATOM 1549 O VAL A 100 14.798 -8.953 -5.323 1.00 0.00 O ATOM 1550 CB VAL A 100 15.527 -6.167 -5.056 1.00 0.00 C ATOM 1551 CG1 VAL A 100 15.731 -6.791 -6.438 1.00 0.00 C ATOM 1552 CG2 VAL A 100 15.277 -4.668 -5.212 1.00 0.00 C ATOM 0 H VAL A 100 13.568 -5.633 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 100 13.392 -6.574 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 100 16.418 -6.337 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.594 -6.332 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 100 15.901 -7.862 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 100 14.843 -6.623 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.135 -4.205 -5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 100 14.385 -4.509 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.133 -4.219 -4.229 1.00 0.00 H new ATOM 1562 N GLY A 101 14.118 -8.930 -3.234 1.00 0.00 N ATOM 1563 CA GLY A 101 14.190 -10.414 -3.137 1.00 0.00 C ATOM 1564 C GLY A 101 12.767 -10.975 -3.094 1.00 0.00 C ATOM 1565 O GLY A 101 12.551 -12.163 -3.220 1.00 0.00 O ATOM 0 H GLY A 101 13.810 -8.455 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.731 -10.822 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.739 -10.708 -2.242 1.00 0.00 H new ATOM 1569 N ASP A 102 11.795 -10.119 -2.918 1.00 0.00 N ATOM 1570 CA ASP A 102 10.380 -10.581 -2.866 1.00 0.00 C ATOM 1571 C ASP A 102 9.457 -9.468 -3.368 1.00 0.00 C ATOM 1572 O ASP A 102 9.895 -8.525 -3.997 1.00 0.00 O ATOM 1573 CB ASP A 102 10.114 -10.870 -1.388 1.00 0.00 C ATOM 1574 CG ASP A 102 10.657 -12.254 -1.029 1.00 0.00 C ATOM 1575 OD1 ASP A 102 10.130 -13.227 -1.540 1.00 0.00 O ATOM 1576 OD2 ASP A 102 11.592 -12.317 -0.247 1.00 0.00 O ATOM 0 H ASP A 102 11.923 -9.113 -2.807 1.00 0.00 H new ATOM 0 HA ASP A 102 10.201 -11.457 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.589 -10.110 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.044 -10.824 -1.185 1.00 0.00 H new ATOM 1581 N ILE A 103 8.186 -9.560 -3.091 1.00 0.00 N ATOM 1582 CA ILE A 103 7.250 -8.493 -3.552 1.00 0.00 C ATOM 1583 C ILE A 103 6.881 -7.575 -2.385 1.00 0.00 C ATOM 1584 O ILE A 103 7.380 -6.474 -2.270 1.00 0.00 O ATOM 1585 CB ILE A 103 6.016 -9.231 -4.067 1.00 0.00 C ATOM 1586 CG1 ILE A 103 6.420 -10.140 -5.234 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.980 -8.208 -4.542 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.176 -10.549 -6.027 1.00 0.00 C ATOM 0 H ILE A 103 7.755 -10.323 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 103 7.694 -7.864 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 103 5.587 -9.838 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.123 -9.621 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.930 -11.026 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.097 -8.729 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.699 -7.562 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.406 -7.604 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.468 -11.195 -6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.488 -11.086 -5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.684 -9.658 -6.418 1.00 0.00 H new ATOM 1600 N SER A 104 6.009 -8.022 -1.521 1.00 0.00 N ATOM 1601 CA SER A 104 5.598 -7.184 -0.350 1.00 0.00 C ATOM 1602 C SER A 104 4.317 -7.746 0.275 1.00 0.00 C ATOM 1603 O SER A 104 3.227 -7.527 -0.217 1.00 0.00 O ATOM 1604 CB SER A 104 5.345 -5.783 -0.912 1.00 0.00 C ATOM 1605 OG SER A 104 6.497 -4.977 -0.697 1.00 0.00 O ATOM 0 H SER A 104 5.560 -8.936 -1.574 1.00 0.00 H new ATOM 0 HA SER A 104 6.361 -7.172 0.428 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.121 -5.841 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.478 -5.335 -0.427 1.00 0.00 H new ATOM 0 HG SER A 104 7.086 -5.034 -1.478 1.00 0.00 H new ATOM 1611 N ASP A 105 4.438 -8.467 1.356 1.00 0.00 N ATOM 1612 CA ASP A 105 3.226 -9.041 2.010 1.00 0.00 C ATOM 1613 C ASP A 105 2.206 -7.934 2.291 1.00 0.00 C ATOM 1614 O ASP A 105 2.411 -6.787 1.950 1.00 0.00 O ATOM 1615 CB ASP A 105 3.733 -9.648 3.320 1.00 0.00 C ATOM 1616 CG ASP A 105 2.785 -10.763 3.767 1.00 0.00 C ATOM 1617 OD1 ASP A 105 2.905 -11.860 3.247 1.00 0.00 O ATOM 1618 OD2 ASP A 105 1.957 -10.501 4.624 1.00 0.00 O ATOM 0 H ASP A 105 5.323 -8.684 1.815 1.00 0.00 H new ATOM 0 HA ASP A 105 2.729 -9.782 1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 105 4.739 -10.045 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.795 -8.879 4.090 1.00 0.00 H new ATOM 1623 N ILE A 106 1.108 -8.270 2.910 1.00 0.00 N ATOM 1624 CA ILE A 106 0.078 -7.234 3.211 1.00 0.00 C ATOM 1625 C ILE A 106 0.676 -6.124 4.077 1.00 0.00 C ATOM 1626 O ILE A 106 1.324 -6.379 5.072 1.00 0.00 O ATOM 1627 CB ILE A 106 -1.019 -7.975 3.972 1.00 0.00 C ATOM 1628 CG1 ILE A 106 -0.368 -8.845 5.072 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.824 -8.828 2.984 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.649 -10.338 4.849 1.00 0.00 C ATOM 0 H ILE A 106 0.879 -9.214 3.220 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.302 -6.758 2.307 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.701 -7.272 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.708 -8.674 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.748 -8.544 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.610 -9.361 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.273 -8.183 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.162 -9.547 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.176 -10.919 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.725 -10.512 4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.245 -10.644 3.884 1.00 0.00 H new ATOM 1642 N VAL A 107 0.461 -4.893 3.705 1.00 0.00 N ATOM 1643 CA VAL A 107 1.014 -3.762 4.504 1.00 0.00 C ATOM 1644 C VAL A 107 -0.128 -2.991 5.173 1.00 0.00 C ATOM 1645 O VAL A 107 -0.583 -1.981 4.675 1.00 0.00 O ATOM 1646 CB VAL A 107 1.739 -2.881 3.486 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.656 -1.902 4.219 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.579 -3.761 2.556 1.00 0.00 C ATOM 0 H VAL A 107 -0.075 -4.620 2.881 1.00 0.00 H new ATOM 0 HA VAL A 107 1.681 -4.096 5.299 1.00 0.00 H new ATOM 0 HB VAL A 107 1.006 -2.326 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.173 -1.274 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.062 -1.275 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.389 -2.458 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.096 -3.133 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.311 -4.316 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.929 -4.461 2.032 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.600 -3.467 6.295 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.721 -2.767 6.990 1.00 0.00 C ATOM 1660 C ASP A 108 -1.191 -1.625 7.864 1.00 0.00 C ATOM 1661 O ASP A 108 -0.760 -1.828 8.982 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.397 -3.839 7.847 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.346 -4.571 8.686 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -1.017 -4.075 9.751 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -0.890 -5.615 8.249 1.00 0.00 O ATOM 0 H ASP A 108 -0.259 -4.308 6.760 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.417 -2.316 6.283 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.141 -3.381 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.925 -4.548 7.209 1.00 0.00 H new ATOM 1670 N THR A 109 -1.231 -0.425 7.355 1.00 0.00 N ATOM 1671 CA THR A 109 -0.747 0.751 8.133 1.00 0.00 C ATOM 1672 C THR A 109 -1.038 2.038 7.355 1.00 0.00 C ATOM 1673 O THR A 109 -1.746 2.030 6.367 1.00 0.00 O ATOM 1674 CB THR A 109 0.762 0.543 8.282 1.00 0.00 C ATOM 1675 OG1 THR A 109 1.354 1.734 8.781 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.369 0.201 6.921 1.00 0.00 C ATOM 0 H THR A 109 -1.582 -0.206 6.423 1.00 0.00 H new ATOM 0 HA THR A 109 -1.237 0.839 9.103 1.00 0.00 H new ATOM 0 HB THR A 109 0.950 -0.276 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.869 2.167 8.068 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.444 0.053 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.914 -0.713 6.539 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.183 1.018 6.224 1.00 0.00 H new ATOM 1684 N ASP A 110 -0.494 3.141 7.788 1.00 0.00 N ATOM 1685 CA ASP A 110 -0.734 4.428 7.072 1.00 0.00 C ATOM 1686 C ASP A 110 -2.207 4.543 6.645 1.00 0.00 C ATOM 1687 O ASP A 110 -3.072 4.811 7.455 1.00 0.00 O ATOM 1688 CB ASP A 110 0.193 4.378 5.855 1.00 0.00 C ATOM 1689 CG ASP A 110 0.091 5.691 5.076 1.00 0.00 C ATOM 1690 OD1 ASP A 110 0.747 6.642 5.468 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -0.639 5.722 4.099 1.00 0.00 O ATOM 0 H ASP A 110 0.108 3.208 8.609 1.00 0.00 H new ATOM 0 HA ASP A 110 -0.532 5.296 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.222 4.213 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.079 3.540 5.213 1.00 0.00 H new ATOM 1696 N SER A 111 -2.505 4.351 5.383 1.00 0.00 N ATOM 1697 CA SER A 111 -3.923 4.460 4.925 1.00 0.00 C ATOM 1698 C SER A 111 -4.683 3.160 5.201 1.00 0.00 C ATOM 1699 O SER A 111 -5.887 3.154 5.364 1.00 0.00 O ATOM 1700 CB SER A 111 -3.829 4.715 3.422 1.00 0.00 C ATOM 1701 OG SER A 111 -4.497 5.930 3.108 1.00 0.00 O ATOM 0 H SER A 111 -1.829 4.124 4.653 1.00 0.00 H new ATOM 0 HA SER A 111 -4.462 5.251 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.784 4.772 3.116 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.278 3.888 2.873 1.00 0.00 H new ATOM 0 HG SER A 111 -4.437 6.097 2.144 1.00 0.00 H new ATOM 1707 N GLY A 112 -3.990 2.059 5.249 1.00 0.00 N ATOM 1708 CA GLY A 112 -4.667 0.757 5.508 1.00 0.00 C ATOM 1709 C GLY A 112 -3.759 -0.375 5.033 1.00 0.00 C ATOM 1710 O GLY A 112 -2.591 -0.412 5.347 1.00 0.00 O ATOM 0 H GLY A 112 -2.980 2.003 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.881 0.648 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.623 0.718 4.985 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.276 -1.293 4.268 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.415 -2.405 3.776 1.00 0.00 C ATOM 1716 C VAL A 113 -2.868 -2.064 2.388 1.00 0.00 C ATOM 1717 O VAL A 113 -3.609 -1.752 1.473 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.327 -3.628 3.724 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.751 -4.011 5.143 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.568 -3.298 2.902 1.00 0.00 C ATOM 0 H VAL A 113 -5.249 -1.323 3.963 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.553 -2.582 4.420 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.792 -4.460 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.402 -4.884 5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.867 -4.243 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.287 -3.179 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.221 -4.170 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.100 -2.466 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.271 -3.022 1.890 1.00 0.00 H new ATOM 1730 N HIS A 114 -1.572 -2.110 2.232 1.00 0.00 N ATOM 1731 CA HIS A 114 -0.963 -1.777 0.911 1.00 0.00 C ATOM 1732 C HIS A 114 -0.018 -2.891 0.453 1.00 0.00 C ATOM 1733 O HIS A 114 0.098 -3.928 1.076 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.154 -0.499 1.152 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.061 0.634 1.544 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.318 1.702 0.699 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -1.756 0.893 2.696 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.135 2.548 1.352 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.434 2.102 2.575 1.00 0.00 N ATOM 0 H HIS A 114 -0.908 -2.364 2.963 1.00 0.00 H new ATOM 0 HA HIS A 114 -1.726 -1.657 0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.583 -0.671 1.937 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.397 -0.235 0.249 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -0.954 1.824 -0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.775 0.255 3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.504 3.475 0.938 1.00 0.00 H new ATOM 1747 N ILE A 115 0.675 -2.655 -0.625 1.00 0.00 N ATOM 1748 CA ILE A 115 1.650 -3.655 -1.149 1.00 0.00 C ATOM 1749 C ILE A 115 2.820 -2.900 -1.783 1.00 0.00 C ATOM 1750 O ILE A 115 2.693 -2.312 -2.839 1.00 0.00 O ATOM 1751 CB ILE A 115 0.894 -4.479 -2.199 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.114 -3.593 -2.938 1.00 0.00 C ATOM 1753 CG2 ILE A 115 0.150 -5.623 -1.508 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.180 -4.007 -4.409 1.00 0.00 C ATOM 0 H ILE A 115 0.607 -1.798 -1.175 1.00 0.00 H new ATOM 0 HA ILE A 115 2.047 -4.307 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 115 1.609 -4.882 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.099 -3.685 -2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.179 -2.546 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -0.388 -6.210 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.865 -6.262 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -0.558 -5.214 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.898 -3.376 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.804 -3.892 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.493 -5.049 -4.480 1.00 0.00 H new ATOM 1766 N ILE A 116 3.948 -2.880 -1.126 1.00 0.00 N ATOM 1767 CA ILE A 116 5.116 -2.128 -1.669 1.00 0.00 C ATOM 1768 C ILE A 116 5.760 -2.862 -2.851 1.00 0.00 C ATOM 1769 O ILE A 116 5.436 -3.993 -3.153 1.00 0.00 O ATOM 1770 CB ILE A 116 6.091 -2.021 -0.491 1.00 0.00 C ATOM 1771 CG1 ILE A 116 5.675 -0.849 0.399 1.00 0.00 C ATOM 1772 CG2 ILE A 116 7.515 -1.783 -1.006 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.995 -1.379 1.662 1.00 0.00 C ATOM 0 H ILE A 116 4.111 -3.352 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 116 4.824 -1.152 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 116 6.068 -2.950 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 116 6.549 -0.255 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.996 -0.191 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 116 8.200 -1.708 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.815 -2.614 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 116 7.544 -0.857 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.699 -0.542 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.112 -1.954 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.689 -2.019 2.207 1.00 0.00 H new ATOM 1785 N LYS A 117 6.675 -2.208 -3.515 1.00 0.00 N ATOM 1786 CA LYS A 117 7.363 -2.831 -4.681 1.00 0.00 C ATOM 1787 C LYS A 117 8.594 -1.999 -5.059 1.00 0.00 C ATOM 1788 O LYS A 117 8.483 -0.849 -5.434 1.00 0.00 O ATOM 1789 CB LYS A 117 6.329 -2.803 -5.807 1.00 0.00 C ATOM 1790 CG LYS A 117 6.714 -3.820 -6.882 1.00 0.00 C ATOM 1791 CD LYS A 117 5.455 -4.286 -7.615 1.00 0.00 C ATOM 1792 CE LYS A 117 5.282 -3.474 -8.900 1.00 0.00 C ATOM 1793 NZ LYS A 117 6.313 -4.007 -9.833 1.00 0.00 N ATOM 0 H LYS A 117 6.978 -1.259 -3.296 1.00 0.00 H new ATOM 0 HA LYS A 117 7.709 -3.843 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.340 -3.033 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.275 -1.804 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.414 -3.372 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.220 -4.672 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 117 5.531 -5.348 -7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.582 -4.163 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 117 4.279 -3.593 -9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.428 -2.409 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.962 -3.242 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.849 -4.764 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.849 -4.388 -10.682 1.00 0.00 H new ATOM 1807 N ARG A 118 9.766 -2.566 -4.960 1.00 0.00 N ATOM 1808 CA ARG A 118 10.997 -1.799 -5.312 1.00 0.00 C ATOM 1809 C ARG A 118 11.498 -2.211 -6.698 1.00 0.00 C ATOM 1810 O ARG A 118 11.198 -1.577 -7.690 1.00 0.00 O ATOM 1811 CB ARG A 118 12.020 -2.170 -4.237 1.00 0.00 C ATOM 1812 CG ARG A 118 11.789 -1.307 -2.994 1.00 0.00 C ATOM 1813 CD ARG A 118 13.137 -0.849 -2.432 1.00 0.00 C ATOM 1814 NE ARG A 118 13.426 0.433 -3.130 1.00 0.00 N ATOM 1815 CZ ARG A 118 14.599 0.632 -3.666 1.00 0.00 C ATOM 1816 NH1 ARG A 118 15.655 0.066 -3.150 1.00 0.00 N ATOM 1817 NH2 ARG A 118 14.714 1.393 -4.720 1.00 0.00 N ATOM 0 H ARG A 118 9.925 -3.525 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 118 10.817 -0.724 -5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.929 -3.226 -3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 118 13.031 -2.019 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.176 -0.442 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 118 11.243 -1.875 -2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.088 -0.709 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.916 -1.587 -2.623 1.00 0.00 H new ATOM 0 HE ARG A 118 12.708 1.155 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.563 -0.531 -2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.572 0.221 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.887 1.832 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 118 15.631 1.549 -5.139 1.00 0.00 H new ATOM 1831 N THR A 119 12.256 -3.269 -6.777 1.00 0.00 N ATOM 1832 CA THR A 119 12.769 -3.719 -8.102 1.00 0.00 C ATOM 1833 C THR A 119 12.354 -5.170 -8.355 1.00 0.00 C ATOM 1834 O THR A 119 11.451 -5.438 -9.124 1.00 0.00 O ATOM 1835 CB THR A 119 14.293 -3.593 -8.011 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.637 -2.816 -6.871 1.00 0.00 O ATOM 1837 CG2 THR A 119 14.825 -2.910 -9.272 1.00 0.00 C ATOM 0 H THR A 119 12.542 -3.841 -5.983 1.00 0.00 H new ATOM 0 HA THR A 119 12.370 -3.126 -8.925 1.00 0.00 H new ATOM 0 HB THR A 119 14.734 -4.586 -7.922 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.547 -2.468 -6.975 1.00 0.00 H new ATOM 0 HG21 THR A 119 15.909 -2.820 -9.207 1.00 0.00 H new ATOM 0 HG22 THR A 119 14.562 -3.505 -10.147 1.00 0.00 H new ATOM 0 HG23 THR A 119 14.384 -1.917 -9.362 1.00 0.00 H new ATOM 1845 N ALA A 120 12.999 -6.102 -7.706 1.00 0.00 N ATOM 1846 CA ALA A 120 12.643 -7.538 -7.895 1.00 0.00 C ATOM 1847 C ALA A 120 12.290 -7.817 -9.359 1.00 0.00 C ATOM 1848 O ALA A 120 11.117 -7.751 -9.688 1.00 0.00 O ATOM 1849 CB ALA A 120 11.430 -7.758 -6.993 1.00 0.00 C ATOM 1850 OXT ALA A 120 13.199 -8.091 -10.125 1.00 0.00 O ATOM 0 H ALA A 120 13.761 -5.929 -7.050 1.00 0.00 H new ATOM 0 HA ALA A 120 13.467 -8.206 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.101 -8.794 -7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.701 -7.541 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.621 -7.096 -7.303 1.00 0.00 H new