USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 533 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 97 LYS NZ :NH3+ -112:sc= -0.0491 (180deg=-0.801) USER MOD Set 1.2: A 134 THR OG1 : rot -68:sc= 1.17 USER MOD Set 1.3: A 141 MET CE :methyl 146:sc= -0.91 (180deg=-1.44) USER MOD Set 2.1: A 91 ASN : amide:sc= -3.04! K(o=-4.7!,f=-0.2) USER MOD Set 2.2: A 107 CYS SG : rot 160:sc= -1.68 USER MOD Set 3.1: A 86 SER OG : rot -169:sc= 0.903 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 137 GLN : amide:sc= -0.704 K(o=0.2,f=-0.94!) USER MOD Set 4.1: A 79 LYS NZ :NH3+ 175:sc=-0.00583 (180deg=-0.0291) USER MOD Set 4.2: A 117 HIS : no HD1:sc= 0 X(o=-0.0058,f=-0.16) USER MOD Single : A 78 THR OG1 : rot -26:sc= 0.364 USER MOD Single : A 81 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-6.1!) USER MOD Single : A 84 ASN : amide:sc= -0.621 X(o=-0.62,f=-0.14) USER MOD Single : A 89 CYS SG : rot 100:sc= 1.04 USER MOD Single : A 90 THR OG1 : rot 120:sc= -2.34 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -15:sc= -0.189 USER MOD Single : A 111 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0182) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= -0.107 (180deg=-0.107) USER MOD Single : A 133 ASN : amide:sc=-0.00658 K(o=-0.0066,f=-1.3) USER MOD Single : A 139 LYS NZ :NH3+ -151:sc= -0.0105 (180deg=-0.911) USER MOD Single : A 142 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-5!) USER MOD Single : A 144 GLN : amide:sc= -0.0768 K(o=-0.077,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -2.025 13.454 9.247 1.00 0.00 N ATOM 110 CA THR A 78 -2.960 12.748 8.380 1.00 0.00 C ATOM 111 C THR A 78 -3.071 11.279 8.771 1.00 0.00 C ATOM 112 O THR A 78 -2.068 10.623 9.051 1.00 0.00 O ATOM 113 CB THR A 78 -2.538 12.844 6.902 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.111 12.922 6.805 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.164 14.061 6.238 1.00 0.00 C ATOM 0 HA THR A 78 -3.930 13.228 8.505 1.00 0.00 H new ATOM 0 HB THR A 78 -2.889 11.949 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.747 13.301 7.632 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.851 14.107 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.250 13.984 6.288 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.840 14.964 6.755 1.00 0.00 H new ATOM 123 N LYS A 79 -4.297 10.767 8.788 1.00 0.00 N ATOM 124 CA LYS A 79 -4.540 9.374 9.143 1.00 0.00 C ATOM 125 C LYS A 79 -5.372 8.677 8.071 1.00 0.00 C ATOM 126 O LYS A 79 -6.412 9.184 7.650 1.00 0.00 O ATOM 127 CB LYS A 79 -5.254 9.287 10.494 1.00 0.00 C ATOM 128 CG LYS A 79 -5.179 7.911 11.134 1.00 0.00 C ATOM 129 CD LYS A 79 -5.205 8.000 12.650 1.00 0.00 C ATOM 130 CE LYS A 79 -5.086 6.625 13.291 1.00 0.00 C ATOM 131 NZ LYS A 79 -3.710 6.071 13.164 1.00 0.00 N ATOM 0 H LYS A 79 -5.138 11.297 8.560 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.576 8.870 9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.818 10.019 11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.301 9.560 10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.015 7.302 10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.266 7.409 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.387 8.634 12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.132 8.474 12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.355 6.691 14.345 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.796 5.944 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.648 5.173 13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.494 5.904 12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.026 6.748 13.557 1.00 0.00 H new ATOM 145 N LEU A 80 -4.908 7.511 7.634 1.00 0.00 N ATOM 146 CA LEU A 80 -5.610 6.743 6.612 1.00 0.00 C ATOM 147 C LEU A 80 -6.145 5.434 7.185 1.00 0.00 C ATOM 148 O LEU A 80 -5.425 4.702 7.865 1.00 0.00 O ATOM 149 CB LEU A 80 -4.679 6.454 5.433 1.00 0.00 C ATOM 150 CG LEU A 80 -3.852 7.636 4.925 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.736 7.153 4.012 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.741 8.636 4.200 1.00 0.00 C ATOM 0 H LEU A 80 -4.049 7.077 7.972 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.454 7.337 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.995 5.656 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.280 6.075 4.606 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.402 8.135 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.158 8.008 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.083 6.475 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.166 6.629 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.136 9.470 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.220 8.148 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.505 9.006 4.884 1.00 0.00 H new ATOM 164 N HIS A 81 -7.412 5.145 6.905 1.00 0.00 N ATOM 165 CA HIS A 81 -8.042 3.923 7.390 1.00 0.00 C ATOM 166 C HIS A 81 -8.039 2.844 6.311 1.00 0.00 C ATOM 167 O HIS A 81 -8.248 3.130 5.132 1.00 0.00 O ATOM 168 CB HIS A 81 -9.476 4.207 7.839 1.00 0.00 C ATOM 169 CG HIS A 81 -10.181 3.005 8.387 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.299 1.820 7.692 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.807 2.809 9.571 1.00 0.00 C ATOM 172 CE1 HIS A 81 -10.968 0.947 8.424 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.287 1.522 9.570 1.00 0.00 N ATOM 0 H HIS A 81 -8.022 5.740 6.345 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.467 3.561 8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.462 4.988 8.599 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.043 4.596 6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.910 3.530 10.368 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.212 -0.064 8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.805 1.082 10.330 1.00 0.00 H new ATOM 182 N VAL A 82 -7.799 1.603 6.722 1.00 0.00 N ATOM 183 CA VAL A 82 -7.769 0.481 5.791 1.00 0.00 C ATOM 184 C VAL A 82 -8.715 -0.628 6.236 1.00 0.00 C ATOM 185 O VAL A 82 -8.824 -0.926 7.425 1.00 0.00 O ATOM 186 CB VAL A 82 -6.348 -0.095 5.653 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.226 -0.915 4.378 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.315 1.022 5.680 1.00 0.00 C ATOM 0 H VAL A 82 -7.622 1.349 7.694 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.093 0.864 4.823 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.158 -0.754 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.215 -1.314 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.940 -1.738 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.436 -0.281 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.316 0.596 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.500 1.709 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.388 1.562 6.624 1.00 0.00 H new ATOM 198 N GLY A 83 -9.398 -1.238 5.273 1.00 0.00 N ATOM 199 CA GLY A 83 -10.326 -2.309 5.585 1.00 0.00 C ATOM 200 C GLY A 83 -10.029 -3.579 4.812 1.00 0.00 C ATOM 201 O GLY A 83 -9.447 -3.531 3.729 1.00 0.00 O ATOM 0 H GLY A 83 -9.325 -1.010 4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.286 -2.520 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.342 -1.981 5.363 1.00 0.00 H new ATOM 205 N ASN A 84 -10.428 -4.717 5.370 1.00 0.00 N ATOM 206 CA ASN A 84 -10.199 -6.005 4.726 1.00 0.00 C ATOM 207 C ASN A 84 -8.715 -6.360 4.732 1.00 0.00 C ATOM 208 O ASN A 84 -8.126 -6.629 3.684 1.00 0.00 O ATOM 209 CB ASN A 84 -10.723 -5.981 3.289 1.00 0.00 C ATOM 210 CG ASN A 84 -11.147 -7.354 2.805 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.191 -7.870 3.205 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.338 -7.953 1.939 1.00 0.00 N ATOM 0 H ASN A 84 -10.911 -4.774 6.266 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.739 -6.766 5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.571 -5.299 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.949 -5.589 2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.572 -8.878 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.483 -7.488 1.635 1.00 0.00 H new ATOM 219 N ILE A 85 -8.117 -6.359 5.919 1.00 0.00 N ATOM 220 CA ILE A 85 -6.703 -6.682 6.062 1.00 0.00 C ATOM 221 C ILE A 85 -6.495 -8.186 6.207 1.00 0.00 C ATOM 222 O ILE A 85 -7.421 -8.921 6.547 1.00 0.00 O ATOM 223 CB ILE A 85 -6.082 -5.969 7.277 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.622 -4.542 7.389 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.565 -5.960 7.168 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.266 -3.667 6.209 1.00 0.00 C ATOM 0 H ILE A 85 -8.590 -6.138 6.795 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.207 -6.335 5.156 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.358 -6.514 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.707 -4.580 7.489 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.234 -4.086 8.300 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.141 -5.452 8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.197 -6.985 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.269 -5.436 6.259 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.681 -2.670 6.357 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.182 -3.599 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.678 -4.100 5.297 1.00 0.00 H new ATOM 238 N SER A 86 -5.271 -8.636 5.950 1.00 0.00 N ATOM 239 CA SER A 86 -4.941 -10.053 6.050 1.00 0.00 C ATOM 240 C SER A 86 -4.584 -10.427 7.486 1.00 0.00 C ATOM 241 O SER A 86 -4.031 -9.630 8.243 1.00 0.00 O ATOM 242 CB SER A 86 -3.776 -10.394 5.118 1.00 0.00 C ATOM 243 OG SER A 86 -3.078 -11.540 5.573 1.00 0.00 O ATOM 0 H SER A 86 -4.492 -8.040 5.671 1.00 0.00 H new ATOM 0 HA SER A 86 -5.817 -10.627 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.152 -10.570 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.092 -9.547 5.060 1.00 0.00 H new ATOM 0 HG SER A 86 -2.242 -11.635 5.070 1.00 0.00 H new ATOM 249 N PRO A 87 -4.908 -11.670 7.870 1.00 0.00 N ATOM 250 CA PRO A 87 -4.632 -12.180 9.216 1.00 0.00 C ATOM 251 C PRO A 87 -3.141 -12.388 9.463 1.00 0.00 C ATOM 252 O PRO A 87 -2.702 -12.519 10.606 1.00 0.00 O ATOM 253 CB PRO A 87 -5.370 -13.521 9.247 1.00 0.00 C ATOM 254 CG PRO A 87 -5.449 -13.942 7.820 1.00 0.00 C ATOM 255 CD PRO A 87 -5.569 -12.675 7.020 1.00 0.00 C ATOM 0 HA PRO A 87 -4.954 -11.482 9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.833 -14.255 9.847 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.363 -13.417 9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.562 -14.504 7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.308 -14.592 7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.080 -12.765 6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.611 -12.417 6.829 1.00 0.00 H new ATOM 263 N THR A 88 -2.366 -12.415 8.383 1.00 0.00 N ATOM 264 CA THR A 88 -0.924 -12.607 8.483 1.00 0.00 C ATOM 265 C THR A 88 -0.171 -11.362 8.028 1.00 0.00 C ATOM 266 O THR A 88 1.046 -11.394 7.843 1.00 0.00 O ATOM 267 CB THR A 88 -0.459 -13.811 7.642 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.616 -13.524 6.247 1.00 0.00 O ATOM 269 CG2 THR A 88 -1.249 -15.060 8.000 1.00 0.00 C ATOM 0 H THR A 88 -2.712 -12.306 7.430 1.00 0.00 H new ATOM 0 HA THR A 88 -0.702 -12.799 9.533 1.00 0.00 H new ATOM 0 HB THR A 88 0.594 -13.992 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.317 -14.294 5.719 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.902 -15.896 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.104 -15.293 9.055 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.308 -14.888 7.809 1.00 0.00 H new ATOM 277 N CYS A 89 -0.902 -10.267 7.851 1.00 0.00 N ATOM 278 CA CYS A 89 -0.302 -9.010 7.417 1.00 0.00 C ATOM 279 C CYS A 89 0.665 -8.477 8.470 1.00 0.00 C ATOM 280 O CYS A 89 0.392 -8.540 9.669 1.00 0.00 O ATOM 281 CB CYS A 89 -1.389 -7.972 7.135 1.00 0.00 C ATOM 282 SG CYS A 89 -0.816 -6.540 6.191 1.00 0.00 S ATOM 0 H CYS A 89 -1.910 -10.224 8.001 1.00 0.00 H new ATOM 0 HA CYS A 89 0.256 -9.200 6.500 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.202 -8.452 6.589 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.802 -7.627 8.083 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.140 -6.687 4.940 1.00 0.00 H new ATOM 288 N THR A 90 1.799 -7.954 8.014 1.00 0.00 N ATOM 289 CA THR A 90 2.809 -7.414 8.916 1.00 0.00 C ATOM 290 C THR A 90 2.814 -5.890 8.885 1.00 0.00 C ATOM 291 O THR A 90 2.741 -5.281 7.818 1.00 0.00 O ATOM 292 CB THR A 90 4.216 -7.928 8.557 1.00 0.00 C ATOM 293 OG1 THR A 90 4.496 -7.666 7.177 1.00 0.00 O ATOM 294 CG2 THR A 90 4.332 -9.420 8.830 1.00 0.00 C ATOM 0 H THR A 90 2.041 -7.893 7.025 1.00 0.00 H new ATOM 0 HA THR A 90 2.551 -7.754 9.919 1.00 0.00 H new ATOM 0 HB THR A 90 4.941 -7.404 9.179 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.285 -7.089 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.334 -9.761 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 90 4.147 -9.612 9.887 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.598 -9.958 8.230 1.00 0.00 H new ATOM 302 N ASN A 91 2.901 -5.279 10.062 1.00 0.00 N ATOM 303 CA ASN A 91 2.916 -3.824 10.169 1.00 0.00 C ATOM 304 C ASN A 91 3.905 -3.216 9.179 1.00 0.00 C ATOM 305 O ASN A 91 3.736 -2.080 8.738 1.00 0.00 O ATOM 306 CB ASN A 91 3.278 -3.401 11.594 1.00 0.00 C ATOM 307 CG ASN A 91 2.637 -2.083 11.986 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.462 -1.793 13.169 1.00 0.00 O ATOM 309 ND2 ASN A 91 2.284 -1.278 10.991 1.00 0.00 N ATOM 0 H ASN A 91 2.962 -5.768 10.955 1.00 0.00 H new ATOM 0 HA ASN A 91 1.918 -3.456 9.930 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.963 -4.177 12.292 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.361 -3.315 11.681 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.849 -0.378 11.193 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.448 -1.560 10.024 1.00 0.00 H new ATOM 316 N GLN A 92 4.935 -3.981 8.835 1.00 0.00 N ATOM 317 CA GLN A 92 5.951 -3.518 7.897 1.00 0.00 C ATOM 318 C GLN A 92 5.467 -3.656 6.457 1.00 0.00 C ATOM 319 O GLN A 92 5.853 -2.878 5.586 1.00 0.00 O ATOM 320 CB GLN A 92 7.249 -4.303 8.088 1.00 0.00 C ATOM 321 CG GLN A 92 8.447 -3.678 7.393 1.00 0.00 C ATOM 322 CD GLN A 92 9.540 -4.686 7.092 1.00 0.00 C ATOM 323 OE1 GLN A 92 10.557 -4.740 7.784 1.00 0.00 O ATOM 324 NE2 GLN A 92 9.334 -5.490 6.056 1.00 0.00 N ATOM 0 H GLN A 92 5.088 -4.924 9.191 1.00 0.00 H new ATOM 0 HA GLN A 92 6.140 -2.464 8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.460 -4.385 9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.109 -5.316 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.121 -3.213 6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.853 -2.884 8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.476 -5.409 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.034 -6.188 5.805 1.00 0.00 H new ATOM 333 N GLU A 93 4.620 -4.652 6.216 1.00 0.00 N ATOM 334 CA GLU A 93 4.084 -4.892 4.881 1.00 0.00 C ATOM 335 C GLU A 93 3.157 -3.757 4.455 1.00 0.00 C ATOM 336 O GLU A 93 3.176 -3.324 3.302 1.00 0.00 O ATOM 337 CB GLU A 93 3.331 -6.223 4.842 1.00 0.00 C ATOM 338 CG GLU A 93 4.214 -7.412 4.501 1.00 0.00 C ATOM 339 CD GLU A 93 4.516 -7.509 3.018 1.00 0.00 C ATOM 340 OE1 GLU A 93 3.748 -6.936 2.217 1.00 0.00 O ATOM 341 OE2 GLU A 93 5.521 -8.157 2.659 1.00 0.00 O ATOM 0 H GLU A 93 4.291 -5.305 6.927 1.00 0.00 H new ATOM 0 HA GLU A 93 4.920 -4.936 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.863 -6.395 5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.528 -6.155 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.150 -7.335 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.725 -8.329 4.829 1.00 0.00 H new ATOM 348 N LEU A 94 2.345 -3.281 5.393 1.00 0.00 N ATOM 349 CA LEU A 94 1.409 -2.197 5.116 1.00 0.00 C ATOM 350 C LEU A 94 2.141 -0.865 4.985 1.00 0.00 C ATOM 351 O LEU A 94 2.149 -0.252 3.917 1.00 0.00 O ATOM 352 CB LEU A 94 0.358 -2.108 6.224 1.00 0.00 C ATOM 353 CG LEU A 94 -0.897 -1.299 5.896 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.515 -1.779 4.592 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.904 -1.393 7.032 1.00 0.00 C ATOM 0 H LEU A 94 2.316 -3.629 6.352 1.00 0.00 H new ATOM 0 HA LEU A 94 0.913 -2.412 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.054 -3.120 6.491 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.826 -1.673 7.107 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.612 -0.254 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.407 -1.192 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.795 -1.659 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.786 -2.831 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.791 -0.811 6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.185 -2.435 7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.459 -1.000 7.946 1.00 0.00 H new ATOM 367 N ARG A 95 2.756 -0.425 6.077 1.00 0.00 N ATOM 368 CA ARG A 95 3.492 0.834 6.084 1.00 0.00 C ATOM 369 C ARG A 95 4.404 0.937 4.865 1.00 0.00 C ATOM 370 O ARG A 95 4.544 2.006 4.271 1.00 0.00 O ATOM 371 CB ARG A 95 4.319 0.958 7.365 1.00 0.00 C ATOM 372 CG ARG A 95 5.487 1.923 7.245 1.00 0.00 C ATOM 373 CD ARG A 95 6.319 1.953 8.518 1.00 0.00 C ATOM 374 NE ARG A 95 7.482 2.827 8.391 1.00 0.00 N ATOM 375 CZ ARG A 95 8.640 2.438 7.868 1.00 0.00 C ATOM 376 NH1 ARG A 95 8.787 1.197 7.424 1.00 0.00 N ATOM 377 NH2 ARG A 95 9.653 3.291 7.787 1.00 0.00 N ATOM 0 H ARG A 95 2.760 -0.921 6.968 1.00 0.00 H new ATOM 0 HA ARG A 95 2.769 1.649 6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.669 1.286 8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.699 -0.026 7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.117 1.631 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.113 2.924 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.699 2.292 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.649 0.943 8.759 1.00 0.00 H new ATOM 0 HE ARG A 95 7.401 3.788 8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.010 0.539 7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.677 0.901 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.543 4.247 8.126 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.541 2.991 7.385 1.00 0.00 H new ATOM 391 N ALA A 96 5.023 -0.181 4.499 1.00 0.00 N ATOM 392 CA ALA A 96 5.920 -0.216 3.351 1.00 0.00 C ATOM 393 C ALA A 96 5.277 0.435 2.131 1.00 0.00 C ATOM 394 O ALA A 96 5.815 1.388 1.567 1.00 0.00 O ATOM 395 CB ALA A 96 6.319 -1.651 3.037 1.00 0.00 C ATOM 0 H ALA A 96 4.919 -1.074 4.981 1.00 0.00 H new ATOM 0 HA ALA A 96 6.815 0.352 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.989 -1.663 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.827 -2.084 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.427 -2.235 2.810 1.00 0.00 H new ATOM 401 N LYS A 97 4.123 -0.085 1.729 1.00 0.00 N ATOM 402 CA LYS A 97 3.405 0.446 0.576 1.00 0.00 C ATOM 403 C LYS A 97 3.085 1.925 0.768 1.00 0.00 C ATOM 404 O LYS A 97 3.259 2.732 -0.146 1.00 0.00 O ATOM 405 CB LYS A 97 2.112 -0.341 0.347 1.00 0.00 C ATOM 406 CG LYS A 97 2.300 -1.586 -0.502 1.00 0.00 C ATOM 407 CD LYS A 97 1.055 -1.901 -1.314 1.00 0.00 C ATOM 408 CE LYS A 97 -0.119 -2.263 -0.417 1.00 0.00 C ATOM 409 NZ LYS A 97 -1.389 -2.382 -1.185 1.00 0.00 N ATOM 0 H LYS A 97 3.664 -0.874 2.184 1.00 0.00 H new ATOM 0 HA LYS A 97 4.046 0.342 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.696 -0.629 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.381 0.309 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.147 -1.445 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.540 -2.433 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.793 -1.040 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.262 -2.727 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.088 -3.206 0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.232 -1.504 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.031 -1.609 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.186 -2.325 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.839 -3.295 -0.973 1.00 0.00 H new ATOM 423 N PHE A 98 2.617 2.274 1.962 1.00 0.00 N ATOM 424 CA PHE A 98 2.274 3.657 2.274 1.00 0.00 C ATOM 425 C PHE A 98 3.515 4.544 2.251 1.00 0.00 C ATOM 426 O PHE A 98 3.429 5.742 1.983 1.00 0.00 O ATOM 427 CB PHE A 98 1.598 3.740 3.644 1.00 0.00 C ATOM 428 CG PHE A 98 0.148 3.349 3.622 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.830 4.282 3.318 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.237 2.048 3.905 1.00 0.00 C ATOM 431 CE1 PHE A 98 -2.165 3.924 3.298 1.00 0.00 C ATOM 432 CE2 PHE A 98 -1.570 1.685 3.886 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.535 2.624 3.581 1.00 0.00 C ATOM 0 H PHE A 98 2.467 1.619 2.729 1.00 0.00 H new ATOM 0 HA PHE A 98 1.581 4.014 1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.130 3.094 4.342 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.686 4.758 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.546 5.300 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.514 1.309 4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.918 4.661 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.857 0.668 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.577 2.342 3.564 1.00 0.00 H new ATOM 443 N GLU A 99 4.668 3.946 2.536 1.00 0.00 N ATOM 444 CA GLU A 99 5.926 4.683 2.551 1.00 0.00 C ATOM 445 C GLU A 99 6.344 5.074 1.136 1.00 0.00 C ATOM 446 O GLU A 99 7.112 6.015 0.943 1.00 0.00 O ATOM 447 CB GLU A 99 7.026 3.844 3.205 1.00 0.00 C ATOM 448 CG GLU A 99 7.138 4.052 4.706 1.00 0.00 C ATOM 449 CD GLU A 99 8.501 3.666 5.248 1.00 0.00 C ATOM 450 OE1 GLU A 99 8.820 2.459 5.249 1.00 0.00 O ATOM 451 OE2 GLU A 99 9.249 4.573 5.670 1.00 0.00 O ATOM 0 H GLU A 99 4.757 2.955 2.759 1.00 0.00 H new ATOM 0 HA GLU A 99 5.778 5.593 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.834 2.790 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.982 4.087 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.941 5.098 4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.371 3.463 5.209 1.00 0.00 H new ATOM 458 N GLU A 100 5.831 4.343 0.151 1.00 0.00 N ATOM 459 CA GLU A 100 6.152 4.613 -1.246 1.00 0.00 C ATOM 460 C GLU A 100 5.633 5.985 -1.668 1.00 0.00 C ATOM 461 O GLU A 100 6.049 6.530 -2.691 1.00 0.00 O ATOM 462 CB GLU A 100 5.555 3.531 -2.148 1.00 0.00 C ATOM 463 CG GLU A 100 6.304 2.210 -2.091 1.00 0.00 C ATOM 464 CD GLU A 100 7.806 2.386 -2.202 1.00 0.00 C ATOM 465 OE1 GLU A 100 8.303 2.530 -3.339 1.00 0.00 O ATOM 466 OE2 GLU A 100 8.485 2.378 -1.154 1.00 0.00 O ATOM 0 H GLU A 100 5.192 3.561 0.294 1.00 0.00 H new ATOM 0 HA GLU A 100 7.237 4.606 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.517 3.363 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.548 3.891 -3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.069 1.704 -1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.957 1.565 -2.898 1.00 0.00 H new ATOM 473 N TYR A 101 4.723 6.537 -0.874 1.00 0.00 N ATOM 474 CA TYR A 101 4.145 7.843 -1.165 1.00 0.00 C ATOM 475 C TYR A 101 4.812 8.933 -0.332 1.00 0.00 C ATOM 476 O TYR A 101 5.262 9.947 -0.862 1.00 0.00 O ATOM 477 CB TYR A 101 2.639 7.829 -0.896 1.00 0.00 C ATOM 478 CG TYR A 101 1.886 6.809 -1.719 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.844 5.473 -1.338 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.214 7.180 -2.877 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.157 4.538 -2.087 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.524 6.252 -3.632 1.00 0.00 C ATOM 483 CZ TYR A 101 0.499 4.932 -3.233 1.00 0.00 C ATOM 484 OH TYR A 101 -0.187 4.003 -3.982 1.00 0.00 O ATOM 0 H TYR A 101 4.369 6.100 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 101 4.317 8.061 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.469 7.627 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.233 8.820 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.358 5.161 -0.441 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.232 8.213 -3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.135 3.504 -1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.007 6.558 -4.529 1.00 0.00 H new ATOM 0 HH TYR A 101 0.084 3.101 -3.712 1.00 0.00 H new ATOM 494 N GLY A 102 4.872 8.713 0.978 1.00 0.00 N ATOM 495 CA GLY A 102 5.486 9.684 1.865 1.00 0.00 C ATOM 496 C GLY A 102 6.050 9.047 3.120 1.00 0.00 C ATOM 497 O GLY A 102 5.804 7.877 3.413 1.00 0.00 O ATOM 0 H GLY A 102 4.507 7.880 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.284 10.203 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.747 10.436 2.143 1.00 0.00 H new ATOM 501 N PRO A 103 6.828 9.827 3.885 1.00 0.00 N ATOM 502 CA PRO A 103 7.446 9.353 5.128 1.00 0.00 C ATOM 503 C PRO A 103 6.421 9.122 6.233 1.00 0.00 C ATOM 504 O PRO A 103 6.252 9.958 7.121 1.00 0.00 O ATOM 505 CB PRO A 103 8.395 10.492 5.508 1.00 0.00 C ATOM 506 CG PRO A 103 7.808 11.704 4.872 1.00 0.00 C ATOM 507 CD PRO A 103 7.164 11.232 3.598 1.00 0.00 C ATOM 0 HA PRO A 103 7.943 8.392 4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.463 10.606 6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.405 10.304 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.076 12.174 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.577 12.449 4.668 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.276 11.816 3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.842 11.318 2.749 1.00 0.00 H new ATOM 515 N VAL A 104 5.739 7.983 6.173 1.00 0.00 N ATOM 516 CA VAL A 104 4.732 7.641 7.170 1.00 0.00 C ATOM 517 C VAL A 104 5.226 7.950 8.579 1.00 0.00 C ATOM 518 O VAL A 104 6.431 7.999 8.828 1.00 0.00 O ATOM 519 CB VAL A 104 4.344 6.153 7.089 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.358 5.797 8.191 1.00 0.00 C ATOM 521 CG2 VAL A 104 3.766 5.827 5.720 1.00 0.00 C ATOM 0 H VAL A 104 5.866 7.281 5.444 1.00 0.00 H new ATOM 0 HA VAL A 104 3.854 8.250 6.954 1.00 0.00 H new ATOM 0 HB VAL A 104 5.243 5.553 7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.096 4.742 8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.813 5.991 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.458 6.403 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.497 4.771 5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.878 6.434 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.508 6.041 4.951 1.00 0.00 H new ATOM 531 N ILE A 105 4.288 8.157 9.497 1.00 0.00 N ATOM 532 CA ILE A 105 4.629 8.460 10.882 1.00 0.00 C ATOM 533 C ILE A 105 4.513 7.219 11.760 1.00 0.00 C ATOM 534 O ILE A 105 5.479 6.810 12.403 1.00 0.00 O ATOM 535 CB ILE A 105 3.725 9.567 11.455 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.794 10.818 10.576 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.130 9.895 12.884 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.354 12.079 11.285 1.00 0.00 C ATOM 0 H ILE A 105 3.286 8.121 9.307 1.00 0.00 H new ATOM 0 HA ILE A 105 5.662 8.809 10.884 1.00 0.00 H new ATOM 0 HB ILE A 105 2.696 9.207 11.463 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.817 10.948 10.222 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.169 10.669 9.696 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.482 10.679 13.275 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.035 9.003 13.503 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.164 10.238 12.899 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.429 12.925 10.602 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.321 11.969 11.615 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.995 12.253 12.150 1.00 0.00 H new ATOM 550 N GLU A 106 3.324 6.624 11.780 1.00 0.00 N ATOM 551 CA GLU A 106 3.083 5.428 12.579 1.00 0.00 C ATOM 552 C GLU A 106 1.926 4.614 12.005 1.00 0.00 C ATOM 553 O GLU A 106 0.811 5.117 11.861 1.00 0.00 O ATOM 554 CB GLU A 106 2.782 5.809 14.030 1.00 0.00 C ATOM 555 CG GLU A 106 2.092 7.156 14.175 1.00 0.00 C ATOM 556 CD GLU A 106 2.095 7.662 15.604 1.00 0.00 C ATOM 557 OE1 GLU A 106 1.348 7.102 16.434 1.00 0.00 O ATOM 558 OE2 GLU A 106 2.845 8.618 15.892 1.00 0.00 O ATOM 0 H GLU A 106 2.514 6.950 11.253 1.00 0.00 H new ATOM 0 HA GLU A 106 3.985 4.816 12.551 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.154 5.038 14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.715 5.825 14.594 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.588 7.885 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.063 7.072 13.825 1.00 0.00 H new ATOM 565 N CYS A 107 2.201 3.356 11.678 1.00 0.00 N ATOM 566 CA CYS A 107 1.185 2.473 11.119 1.00 0.00 C ATOM 567 C CYS A 107 0.827 1.363 12.102 1.00 0.00 C ATOM 568 O CYS A 107 1.607 1.039 12.998 1.00 0.00 O ATOM 569 CB CYS A 107 1.675 1.866 9.803 1.00 0.00 C ATOM 570 SG CYS A 107 0.599 0.572 9.140 1.00 0.00 S ATOM 0 H CYS A 107 3.119 2.925 11.791 1.00 0.00 H new ATOM 0 HA CYS A 107 0.291 3.066 10.927 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.769 2.660 9.062 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.672 1.452 9.955 1.00 0.00 H new ATOM 0 HG CYS A 107 0.835 0.420 7.871 1.00 0.00 H new ATOM 576 N ASP A 108 -0.358 0.787 11.931 1.00 0.00 N ATOM 577 CA ASP A 108 -0.820 -0.286 12.804 1.00 0.00 C ATOM 578 C ASP A 108 -1.829 -1.175 12.085 1.00 0.00 C ATOM 579 O ASP A 108 -2.704 -0.685 11.370 1.00 0.00 O ATOM 580 CB ASP A 108 -1.446 0.295 14.073 1.00 0.00 C ATOM 581 CG ASP A 108 -0.433 0.485 15.184 1.00 0.00 C ATOM 582 OD1 ASP A 108 0.180 -0.518 15.607 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.251 1.637 15.630 1.00 0.00 O ATOM 0 H ASP A 108 -1.016 1.045 11.196 1.00 0.00 H new ATOM 0 HA ASP A 108 0.042 -0.894 13.079 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.909 1.254 13.840 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.240 -0.367 14.419 1.00 0.00 H new ATOM 588 N ILE A 109 -1.700 -2.483 12.278 1.00 0.00 N ATOM 589 CA ILE A 109 -2.601 -3.441 11.648 1.00 0.00 C ATOM 590 C ILE A 109 -3.650 -3.941 12.635 1.00 0.00 C ATOM 591 O ILE A 109 -3.349 -4.197 13.801 1.00 0.00 O ATOM 592 CB ILE A 109 -1.831 -4.647 11.079 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.094 -4.251 9.798 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.783 -5.804 10.812 1.00 0.00 C ATOM 595 CD1 ILE A 109 0.037 -5.188 9.438 1.00 0.00 C ATOM 0 H ILE A 109 -0.980 -2.904 12.866 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.096 -2.918 10.830 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.094 -4.969 11.815 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.806 -4.220 8.973 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.697 -3.243 9.914 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.225 -6.649 10.410 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.267 -6.099 11.743 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.540 -5.494 10.092 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.514 -4.846 8.520 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.770 -5.201 10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.357 -6.194 9.290 1.00 0.00 H new ATOM 607 N VAL A 110 -4.884 -4.079 12.160 1.00 0.00 N ATOM 608 CA VAL A 110 -5.978 -4.552 13.000 1.00 0.00 C ATOM 609 C VAL A 110 -6.592 -5.828 12.435 1.00 0.00 C ATOM 610 O VAL A 110 -6.243 -6.266 11.339 1.00 0.00 O ATOM 611 CB VAL A 110 -7.079 -3.484 13.141 1.00 0.00 C ATOM 612 CG1 VAL A 110 -7.938 -3.762 14.365 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.466 -2.094 13.214 1.00 0.00 C ATOM 0 H VAL A 110 -5.151 -3.870 11.198 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.556 -4.760 13.983 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.719 -3.528 12.260 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.710 -2.997 14.449 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.406 -4.741 14.266 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.314 -3.747 15.259 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.258 -1.352 13.313 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.802 -2.034 14.076 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.898 -1.899 12.305 1.00 0.00 H new ATOM 623 N LYS A 111 -7.510 -6.421 13.191 1.00 0.00 N ATOM 624 CA LYS A 111 -8.176 -7.646 12.767 1.00 0.00 C ATOM 625 C LYS A 111 -8.390 -7.655 11.257 1.00 0.00 C ATOM 626 O LYS A 111 -7.684 -8.348 10.524 1.00 0.00 O ATOM 627 CB LYS A 111 -9.520 -7.795 13.484 1.00 0.00 C ATOM 628 CG LYS A 111 -9.424 -8.529 14.810 1.00 0.00 C ATOM 629 CD LYS A 111 -8.976 -7.603 15.929 1.00 0.00 C ATOM 630 CE LYS A 111 -8.981 -8.312 17.274 1.00 0.00 C ATOM 631 NZ LYS A 111 -7.919 -9.353 17.357 1.00 0.00 N ATOM 0 H LYS A 111 -7.810 -6.072 14.101 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.535 -8.488 13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.942 -6.805 13.656 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.213 -8.328 12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.394 -8.960 15.059 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.721 -9.357 14.718 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.974 -7.231 15.716 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.635 -6.736 15.971 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.836 -7.582 18.070 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.955 -8.773 17.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.923 -9.778 18.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.100 -10.091 16.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.992 -8.918 17.176 1.00 0.00 H new ATOM 645 N ASP A 112 -9.366 -6.879 10.798 1.00 0.00 N ATOM 646 CA ASP A 112 -9.671 -6.795 9.374 1.00 0.00 C ATOM 647 C ASP A 112 -9.495 -5.369 8.864 1.00 0.00 C ATOM 648 O ASP A 112 -9.826 -5.063 7.718 1.00 0.00 O ATOM 649 CB ASP A 112 -11.099 -7.274 9.107 1.00 0.00 C ATOM 650 CG ASP A 112 -12.137 -6.234 9.483 1.00 0.00 C ATOM 651 OD1 ASP A 112 -12.439 -5.365 8.638 1.00 0.00 O ATOM 652 OD2 ASP A 112 -12.648 -6.291 10.620 1.00 0.00 O ATOM 0 H ASP A 112 -9.960 -6.299 11.391 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.974 -7.441 8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.204 -7.523 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.284 -8.188 9.671 1.00 0.00 H new ATOM 657 N TYR A 113 -8.974 -4.499 9.722 1.00 0.00 N ATOM 658 CA TYR A 113 -8.758 -3.103 9.360 1.00 0.00 C ATOM 659 C TYR A 113 -7.356 -2.649 9.753 1.00 0.00 C ATOM 660 O TYR A 113 -6.590 -3.406 10.350 1.00 0.00 O ATOM 661 CB TYR A 113 -9.803 -2.212 10.033 1.00 0.00 C ATOM 662 CG TYR A 113 -10.230 -2.705 11.397 1.00 0.00 C ATOM 663 CD1 TYR A 113 -10.840 -3.944 11.550 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.026 -1.931 12.532 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.234 -4.398 12.794 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.414 -2.378 13.781 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.018 -3.611 13.906 1.00 0.00 C ATOM 668 OH TYR A 113 -11.407 -4.059 15.148 1.00 0.00 O ATOM 0 H TYR A 113 -8.693 -4.736 10.674 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.858 -3.015 8.278 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.401 -1.204 10.130 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.680 -2.145 9.389 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.009 -4.563 10.681 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.556 -0.963 12.437 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.708 -5.363 12.895 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.245 -1.765 14.654 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.182 -3.386 15.824 1.00 0.00 H new ATOM 678 N ALA A 114 -7.027 -1.406 9.416 1.00 0.00 N ATOM 679 CA ALA A 114 -5.719 -0.848 9.736 1.00 0.00 C ATOM 680 C ALA A 114 -5.765 0.675 9.769 1.00 0.00 C ATOM 681 O ALA A 114 -6.786 1.283 9.445 1.00 0.00 O ATOM 682 CB ALA A 114 -4.681 -1.325 8.731 1.00 0.00 C ATOM 0 H ALA A 114 -7.649 -0.766 8.921 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.435 -1.198 10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.709 -0.900 8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.620 -2.413 8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.969 -1.004 7.730 1.00 0.00 H new ATOM 688 N PHE A 115 -4.653 1.288 10.163 1.00 0.00 N ATOM 689 CA PHE A 115 -4.568 2.742 10.240 1.00 0.00 C ATOM 690 C PHE A 115 -3.141 3.217 9.981 1.00 0.00 C ATOM 691 O PHE A 115 -2.206 2.819 10.676 1.00 0.00 O ATOM 692 CB PHE A 115 -5.039 3.230 11.611 1.00 0.00 C ATOM 693 CG PHE A 115 -6.396 2.714 11.997 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.537 1.465 12.581 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.530 3.478 11.777 1.00 0.00 C ATOM 696 CE1 PHE A 115 -7.784 0.988 12.936 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.781 3.007 12.131 1.00 0.00 C ATOM 698 CZ PHE A 115 -8.907 1.760 12.712 1.00 0.00 C ATOM 0 H PHE A 115 -3.799 0.801 10.434 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.217 3.160 9.471 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.314 2.924 12.365 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.059 4.320 11.613 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.662 0.858 12.761 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.436 4.454 11.323 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.881 0.012 13.388 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.657 3.613 11.954 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.882 1.389 12.991 1.00 0.00 H new ATOM 708 N VAL A 116 -2.982 4.071 8.975 1.00 0.00 N ATOM 709 CA VAL A 116 -1.670 4.602 8.623 1.00 0.00 C ATOM 710 C VAL A 116 -1.567 6.084 8.966 1.00 0.00 C ATOM 711 O VAL A 116 -2.201 6.925 8.328 1.00 0.00 O ATOM 712 CB VAL A 116 -1.371 4.411 7.125 1.00 0.00 C ATOM 713 CG1 VAL A 116 -0.053 5.075 6.754 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.350 2.932 6.771 1.00 0.00 C ATOM 0 H VAL A 116 -3.745 4.410 8.389 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.936 4.045 9.206 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.165 4.888 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.141 4.929 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.110 6.142 6.970 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.755 4.630 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.137 2.815 5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.578 2.429 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.320 2.490 6.998 1.00 0.00 H new ATOM 724 N HIS A 117 -0.764 6.398 9.977 1.00 0.00 N ATOM 725 CA HIS A 117 -0.576 7.780 10.404 1.00 0.00 C ATOM 726 C HIS A 117 0.455 8.484 9.528 1.00 0.00 C ATOM 727 O HIS A 117 1.660 8.344 9.737 1.00 0.00 O ATOM 728 CB HIS A 117 -0.138 7.828 11.868 1.00 0.00 C ATOM 729 CG HIS A 117 -0.587 9.063 12.587 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.555 9.052 13.569 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.192 10.352 12.464 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.738 10.282 14.017 1.00 0.00 C ATOM 733 NE2 HIS A 117 -0.923 11.089 13.363 1.00 0.00 N ATOM 0 H HIS A 117 -0.233 5.714 10.516 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.529 8.299 10.301 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.531 6.953 12.385 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.949 7.765 11.916 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.558 10.730 11.785 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.436 10.577 14.787 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.848 12.097 13.503 1.00 0.00 H new ATOM 742 N MET A 118 -0.026 9.241 8.547 1.00 0.00 N ATOM 743 CA MET A 118 0.855 9.967 7.640 1.00 0.00 C ATOM 744 C MET A 118 1.315 11.281 8.264 1.00 0.00 C ATOM 745 O MET A 118 1.007 11.569 9.420 1.00 0.00 O ATOM 746 CB MET A 118 0.144 10.240 6.314 1.00 0.00 C ATOM 747 CG MET A 118 0.360 9.154 5.273 1.00 0.00 C ATOM 748 SD MET A 118 2.101 8.918 4.867 1.00 0.00 S ATOM 749 CE MET A 118 1.977 8.303 3.189 1.00 0.00 C ATOM 0 H MET A 118 -1.021 9.367 8.360 1.00 0.00 H new ATOM 0 HA MET A 118 1.732 9.348 7.453 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.925 10.346 6.500 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.494 11.191 5.913 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.054 8.215 5.642 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.189 9.410 4.367 1.00 0.00 H new ATOM 0 HE1 MET A 118 2.976 8.109 2.798 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.399 7.379 3.182 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.481 9.046 2.565 1.00 0.00 H new ATOM 759 N GLU A 119 2.052 12.073 7.491 1.00 0.00 N ATOM 760 CA GLU A 119 2.553 13.355 7.970 1.00 0.00 C ATOM 761 C GLU A 119 2.125 14.488 7.042 1.00 0.00 C ATOM 762 O GLU A 119 1.986 15.635 7.469 1.00 0.00 O ATOM 763 CB GLU A 119 4.079 13.321 8.082 1.00 0.00 C ATOM 764 CG GLU A 119 4.743 12.401 7.072 1.00 0.00 C ATOM 765 CD GLU A 119 4.913 13.051 5.713 1.00 0.00 C ATOM 766 OE1 GLU A 119 5.737 13.983 5.599 1.00 0.00 O ATOM 767 OE2 GLU A 119 4.221 12.629 4.762 1.00 0.00 O ATOM 0 H GLU A 119 2.315 11.849 6.531 1.00 0.00 H new ATOM 0 HA GLU A 119 2.127 13.537 8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.467 14.331 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.354 13.002 9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.719 12.097 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.147 11.495 6.965 1.00 0.00 H new ATOM 774 N ARG A 120 1.917 14.158 5.772 1.00 0.00 N ATOM 775 CA ARG A 120 1.507 15.147 4.783 1.00 0.00 C ATOM 776 C ARG A 120 0.298 14.656 3.992 1.00 0.00 C ATOM 777 O ARG A 120 0.212 13.481 3.636 1.00 0.00 O ATOM 778 CB ARG A 120 2.662 15.456 3.829 1.00 0.00 C ATOM 779 CG ARG A 120 3.910 15.968 4.529 1.00 0.00 C ATOM 780 CD ARG A 120 3.778 17.438 4.898 1.00 0.00 C ATOM 781 NE ARG A 120 4.976 17.944 5.563 1.00 0.00 N ATOM 782 CZ ARG A 120 5.009 19.080 6.252 1.00 0.00 C ATOM 783 NH1 ARG A 120 3.916 19.822 6.366 1.00 0.00 N ATOM 784 NH2 ARG A 120 6.137 19.474 6.829 1.00 0.00 N ATOM 0 H ARG A 120 2.026 13.213 5.404 1.00 0.00 H new ATOM 0 HA ARG A 120 1.228 16.058 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 120 2.913 14.554 3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.333 16.199 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.091 15.380 5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.775 15.831 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.589 18.022 3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.916 17.572 5.552 1.00 0.00 H new ATOM 0 HE ARG A 120 5.834 17.396 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.047 19.521 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 120 3.944 20.693 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 120 6.979 18.905 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.162 20.346 7.358 1.00 0.00 H new ATOM 798 N ALA A 121 -0.635 15.563 3.722 1.00 0.00 N ATOM 799 CA ALA A 121 -1.838 15.223 2.973 1.00 0.00 C ATOM 800 C ALA A 121 -1.496 14.805 1.546 1.00 0.00 C ATOM 801 O ALA A 121 -1.985 13.788 1.055 1.00 0.00 O ATOM 802 CB ALA A 121 -2.804 16.399 2.963 1.00 0.00 C ATOM 0 H ALA A 121 -0.581 16.540 4.011 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.317 14.378 3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.698 16.131 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.082 16.651 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.325 17.259 2.495 1.00 0.00 H new ATOM 808 N GLU A 122 -0.655 15.596 0.888 1.00 0.00 N ATOM 809 CA GLU A 122 -0.251 15.307 -0.483 1.00 0.00 C ATOM 810 C GLU A 122 0.246 13.870 -0.612 1.00 0.00 C ATOM 811 O GLU A 122 0.142 13.258 -1.676 1.00 0.00 O ATOM 812 CB GLU A 122 0.843 16.278 -0.931 1.00 0.00 C ATOM 813 CG GLU A 122 0.410 17.734 -0.911 1.00 0.00 C ATOM 814 CD GLU A 122 1.141 18.575 -1.939 1.00 0.00 C ATOM 815 OE1 GLU A 122 0.735 18.553 -3.120 1.00 0.00 O ATOM 816 OE2 GLU A 122 2.119 19.255 -1.564 1.00 0.00 O ATOM 0 H GLU A 122 -0.241 16.441 1.281 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.123 15.431 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.712 16.157 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.159 16.015 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.663 17.793 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.585 18.148 0.082 1.00 0.00 H new ATOM 823 N ASP A 123 0.788 13.337 0.478 1.00 0.00 N ATOM 824 CA ASP A 123 1.301 11.972 0.488 1.00 0.00 C ATOM 825 C ASP A 123 0.211 10.985 0.895 1.00 0.00 C ATOM 826 O ASP A 123 0.074 9.917 0.300 1.00 0.00 O ATOM 827 CB ASP A 123 2.491 11.859 1.442 1.00 0.00 C ATOM 828 CG ASP A 123 3.736 12.530 0.896 1.00 0.00 C ATOM 829 OD1 ASP A 123 4.014 12.373 -0.311 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.433 13.213 1.676 1.00 0.00 O ATOM 0 H ASP A 123 0.883 13.830 1.366 1.00 0.00 H new ATOM 0 HA ASP A 123 1.630 11.726 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.229 12.309 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.702 10.807 1.632 1.00 0.00 H new ATOM 835 N ALA A 124 -0.560 11.350 1.914 1.00 0.00 N ATOM 836 CA ALA A 124 -1.638 10.498 2.400 1.00 0.00 C ATOM 837 C ALA A 124 -2.710 10.305 1.333 1.00 0.00 C ATOM 838 O ALA A 124 -3.032 9.177 0.959 1.00 0.00 O ATOM 839 CB ALA A 124 -2.248 11.087 3.663 1.00 0.00 C ATOM 0 H ALA A 124 -0.458 12.230 2.419 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.217 9.521 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.052 10.440 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.482 11.166 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.648 12.078 3.446 1.00 0.00 H new ATOM 845 N VAL A 125 -3.259 11.413 0.846 1.00 0.00 N ATOM 846 CA VAL A 125 -4.295 11.366 -0.180 1.00 0.00 C ATOM 847 C VAL A 125 -3.867 10.492 -1.353 1.00 0.00 C ATOM 848 O VAL A 125 -4.658 9.707 -1.875 1.00 0.00 O ATOM 849 CB VAL A 125 -4.633 12.776 -0.701 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.621 12.696 -1.854 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.182 13.641 0.423 1.00 0.00 C ATOM 0 H VAL A 125 -3.004 12.354 1.145 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.182 10.936 0.285 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.717 13.238 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.848 13.701 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.186 12.114 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.538 12.215 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.415 14.633 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.087 13.185 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.437 13.725 1.214 1.00 0.00 H new ATOM 861 N GLU A 126 -2.610 10.632 -1.762 1.00 0.00 N ATOM 862 CA GLU A 126 -2.077 9.854 -2.874 1.00 0.00 C ATOM 863 C GLU A 126 -2.021 8.371 -2.523 1.00 0.00 C ATOM 864 O GLU A 126 -2.430 7.519 -3.312 1.00 0.00 O ATOM 865 CB GLU A 126 -0.681 10.354 -3.252 1.00 0.00 C ATOM 866 CG GLU A 126 -0.696 11.554 -4.184 1.00 0.00 C ATOM 867 CD GLU A 126 -1.413 11.270 -5.490 1.00 0.00 C ATOM 868 OE1 GLU A 126 -1.310 10.130 -5.989 1.00 0.00 O ATOM 869 OE2 GLU A 126 -2.079 12.189 -6.012 1.00 0.00 O ATOM 0 H GLU A 126 -1.942 11.277 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.744 9.982 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.140 10.617 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.130 9.542 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.180 12.392 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.329 11.858 -4.395 1.00 0.00 H new ATOM 876 N ALA A 127 -1.512 8.069 -1.333 1.00 0.00 N ATOM 877 CA ALA A 127 -1.403 6.689 -0.876 1.00 0.00 C ATOM 878 C ALA A 127 -2.739 5.964 -0.997 1.00 0.00 C ATOM 879 O ALA A 127 -2.781 4.755 -1.225 1.00 0.00 O ATOM 880 CB ALA A 127 -0.905 6.647 0.561 1.00 0.00 C ATOM 0 H ALA A 127 -1.169 8.762 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.682 6.176 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.828 5.610 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.075 7.120 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.605 7.181 1.204 1.00 0.00 H new ATOM 886 N ILE A 128 -3.828 6.710 -0.842 1.00 0.00 N ATOM 887 CA ILE A 128 -5.165 6.137 -0.934 1.00 0.00 C ATOM 888 C ILE A 128 -5.546 5.860 -2.385 1.00 0.00 C ATOM 889 O ILE A 128 -5.691 4.707 -2.790 1.00 0.00 O ATOM 890 CB ILE A 128 -6.220 7.066 -0.306 1.00 0.00 C ATOM 891 CG1 ILE A 128 -6.009 7.165 1.206 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.622 6.564 -0.620 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.819 8.264 1.858 1.00 0.00 C ATOM 0 H ILE A 128 -3.810 7.712 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.145 5.198 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.108 8.062 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.270 6.211 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.951 7.336 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.357 7.231 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.767 6.541 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.748 5.560 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.620 8.276 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.541 9.226 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.880 8.083 1.688 1.00 0.00 H new ATOM 905 N ARG A 129 -5.704 6.926 -3.162 1.00 0.00 N ATOM 906 CA ARG A 129 -6.067 6.799 -4.569 1.00 0.00 C ATOM 907 C ARG A 129 -5.268 5.684 -5.238 1.00 0.00 C ATOM 908 O ARG A 129 -5.687 5.130 -6.253 1.00 0.00 O ATOM 909 CB ARG A 129 -5.830 8.121 -5.301 1.00 0.00 C ATOM 910 CG ARG A 129 -6.772 8.346 -6.472 1.00 0.00 C ATOM 911 CD ARG A 129 -6.623 9.746 -7.046 1.00 0.00 C ATOM 912 NE ARG A 129 -5.372 9.905 -7.783 1.00 0.00 N ATOM 913 CZ ARG A 129 -5.149 10.889 -8.647 1.00 0.00 C ATOM 914 NH1 ARG A 129 -6.086 11.798 -8.879 1.00 0.00 N ATOM 915 NH2 ARG A 129 -3.985 10.967 -9.279 1.00 0.00 N ATOM 0 H ARG A 129 -5.587 7.887 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.126 6.547 -4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.940 8.943 -4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.802 8.147 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.570 7.609 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.801 8.192 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.463 9.958 -7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.662 10.476 -6.237 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.629 9.224 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.981 11.743 -8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.911 12.552 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.261 10.271 -9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.814 11.723 -9.942 1.00 0.00 H new ATOM 929 N GLY A 130 -4.115 5.361 -4.660 1.00 0.00 N ATOM 930 CA GLY A 130 -3.275 4.315 -5.215 1.00 0.00 C ATOM 931 C GLY A 130 -3.468 2.985 -4.514 1.00 0.00 C ATOM 932 O GLY A 130 -3.705 1.964 -5.159 1.00 0.00 O ATOM 0 H GLY A 130 -3.748 5.804 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.497 4.199 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.230 4.614 -5.139 1.00 0.00 H new ATOM 936 N LEU A 131 -3.363 2.995 -3.189 1.00 0.00 N ATOM 937 CA LEU A 131 -3.526 1.780 -2.400 1.00 0.00 C ATOM 938 C LEU A 131 -5.002 1.438 -2.224 1.00 0.00 C ATOM 939 O LEU A 131 -5.349 0.464 -1.555 1.00 0.00 O ATOM 940 CB LEU A 131 -2.862 1.944 -1.031 1.00 0.00 C ATOM 941 CG LEU A 131 -1.367 2.262 -1.045 1.00 0.00 C ATOM 942 CD1 LEU A 131 -0.825 2.341 0.374 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.607 1.217 -1.849 1.00 0.00 C ATOM 0 H LEU A 131 -3.166 3.831 -2.639 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.044 0.962 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.377 2.739 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.013 1.025 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.226 3.232 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.241 2.568 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.348 3.126 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.978 1.386 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.456 1.459 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.755 0.234 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.976 1.208 -2.875 1.00 0.00 H new ATOM 955 N ASP A 132 -5.867 2.244 -2.830 1.00 0.00 N ATOM 956 CA ASP A 132 -7.306 2.026 -2.744 1.00 0.00 C ATOM 957 C ASP A 132 -7.733 0.861 -3.632 1.00 0.00 C ATOM 958 O ASP A 132 -7.478 0.860 -4.836 1.00 0.00 O ATOM 959 CB ASP A 132 -8.061 3.294 -3.145 1.00 0.00 C ATOM 960 CG ASP A 132 -7.758 3.721 -4.568 1.00 0.00 C ATOM 961 OD1 ASP A 132 -6.727 3.278 -5.115 1.00 0.00 O ATOM 962 OD2 ASP A 132 -8.554 4.499 -5.135 1.00 0.00 O ATOM 0 H ASP A 132 -5.596 3.055 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.550 1.780 -1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -9.133 3.124 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.798 4.102 -2.462 1.00 0.00 H new ATOM 967 N ASN A 133 -8.384 -0.129 -3.029 1.00 0.00 N ATOM 968 CA ASN A 133 -8.845 -1.300 -3.766 1.00 0.00 C ATOM 969 C ASN A 133 -7.671 -2.044 -4.395 1.00 0.00 C ATOM 970 O ASN A 133 -7.729 -2.450 -5.556 1.00 0.00 O ATOM 971 CB ASN A 133 -9.842 -0.886 -4.850 1.00 0.00 C ATOM 972 CG ASN A 133 -11.111 -0.291 -4.272 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.298 -0.261 -3.056 1.00 0.00 O ATOM 974 ND2 ASN A 133 -11.990 0.188 -5.145 1.00 0.00 N ATOM 0 H ASN A 133 -8.604 -0.144 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.341 -1.969 -3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.373 -0.159 -5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.095 -1.755 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.862 0.602 -4.816 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -11.793 0.142 -6.145 1.00 0.00 H new ATOM 981 N THR A 134 -6.605 -2.219 -3.621 1.00 0.00 N ATOM 982 CA THR A 134 -5.417 -2.913 -4.101 1.00 0.00 C ATOM 983 C THR A 134 -5.279 -4.284 -3.449 1.00 0.00 C ATOM 984 O THR A 134 -5.239 -4.397 -2.224 1.00 0.00 O ATOM 985 CB THR A 134 -4.140 -2.097 -3.828 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.090 -1.712 -2.449 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.091 -0.857 -4.707 1.00 0.00 C ATOM 0 H THR A 134 -6.540 -1.889 -2.658 1.00 0.00 H new ATOM 0 HA THR A 134 -5.537 -3.036 -5.177 1.00 0.00 H new ATOM 0 HB THR A 134 -3.279 -2.723 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.797 -1.059 -2.266 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.180 -0.297 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.100 -1.154 -5.756 1.00 0.00 H new ATOM 0 HG23 THR A 134 -4.958 -0.230 -4.500 1.00 0.00 H new ATOM 995 N GLU A 135 -5.207 -5.323 -4.275 1.00 0.00 N ATOM 996 CA GLU A 135 -5.074 -6.687 -3.777 1.00 0.00 C ATOM 997 C GLU A 135 -3.875 -6.810 -2.842 1.00 0.00 C ATOM 998 O GLU A 135 -2.734 -6.928 -3.290 1.00 0.00 O ATOM 999 CB GLU A 135 -4.929 -7.668 -4.942 1.00 0.00 C ATOM 1000 CG GLU A 135 -4.955 -9.126 -4.517 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.692 -10.075 -5.670 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -5.229 -9.832 -6.771 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -3.950 -11.060 -5.472 1.00 0.00 O ATOM 0 H GLU A 135 -5.239 -5.246 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 135 -5.977 -6.931 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.733 -7.492 -5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -3.992 -7.466 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.207 -9.288 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.926 -9.355 -4.077 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.141 -6.781 -1.540 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.084 -6.887 -0.541 1.00 0.00 C ATOM 1012 C PHE A 136 -2.975 -8.315 -0.015 1.00 0.00 C ATOM 1013 O PHE A 136 -3.883 -8.813 0.651 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.349 -5.923 0.617 1.00 0.00 C ATOM 1015 CG PHE A 136 -2.142 -5.671 1.475 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -1.586 -6.692 2.228 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.565 -4.413 1.529 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -0.475 -6.464 3.019 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.454 -4.178 2.317 1.00 0.00 C ATOM 1020 CZ PHE A 136 0.091 -5.205 3.064 1.00 0.00 C ATOM 0 H PHE A 136 -5.080 -6.685 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.140 -6.621 -1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.704 -4.974 0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.149 -6.325 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.026 -7.678 2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -1.988 -3.606 0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -0.051 -7.269 3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.012 -3.193 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.958 -5.023 3.682 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.858 -8.968 -0.318 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.631 -10.339 0.123 1.00 0.00 C ATOM 1032 C GLN A 137 -2.730 -11.265 -0.389 1.00 0.00 C ATOM 1033 O GLN A 137 -3.013 -12.300 0.212 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.566 -10.402 1.650 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.177 -10.141 2.211 1.00 0.00 C ATOM 1036 CD GLN A 137 0.001 -10.696 3.611 1.00 0.00 C ATOM 1037 OE1 GLN A 137 -0.663 -11.658 3.998 1.00 0.00 O ATOM 1038 NE2 GLN A 137 0.900 -10.091 4.378 1.00 0.00 N ATOM 0 H GLN A 137 -1.096 -8.570 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.678 -10.673 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.260 -9.671 2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.903 -11.385 1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 137 0.567 -10.586 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 137 0.010 -9.067 2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.428 -9.297 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.063 -10.420 5.330 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.346 -10.884 -1.504 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.407 -11.691 -2.078 1.00 0.00 C ATOM 1049 C GLY A 138 -5.775 -11.062 -1.899 1.00 0.00 C ATOM 1050 O GLY A 138 -6.633 -11.166 -2.776 1.00 0.00 O ATOM 0 H GLY A 138 -3.129 -10.031 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.214 -11.837 -3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.400 -12.677 -1.614 1.00 0.00 H new ATOM 1054 N LYS A 139 -5.980 -10.408 -0.761 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.253 -9.760 -0.469 1.00 0.00 C ATOM 1056 C LYS A 139 -7.139 -8.246 -0.618 1.00 0.00 C ATOM 1057 O LYS A 139 -6.270 -7.617 -0.014 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.714 -10.111 0.948 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.600 -10.063 1.979 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.132 -10.288 3.385 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.132 -11.764 3.751 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.353 -12.458 3.257 1.00 0.00 N ATOM 0 H LYS A 139 -5.280 -10.313 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 139 -7.990 -10.123 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.503 -9.421 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.150 -11.110 0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -5.854 -10.822 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.098 -9.097 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.522 -9.735 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.145 -9.894 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -6.247 -12.242 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -7.067 -11.870 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.578 -13.255 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.151 -11.791 3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -8.185 -12.814 2.294 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.023 -7.668 -1.424 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.022 -6.228 -1.651 1.00 0.00 C ATOM 1078 C ARG A 140 -8.553 -5.484 -0.430 1.00 0.00 C ATOM 1079 O ARG A 140 -9.575 -5.860 0.143 1.00 0.00 O ATOM 1080 CB ARG A 140 -8.867 -5.883 -2.879 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.371 -4.449 -2.888 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.374 -4.218 -4.007 1.00 0.00 C ATOM 1083 NE ARG A 140 -11.637 -4.909 -3.761 1.00 0.00 N ATOM 1084 CZ ARG A 140 -12.609 -4.415 -3.003 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.465 -3.233 -2.420 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -13.730 -5.104 -2.826 1.00 0.00 N ATOM 0 H ARG A 140 -8.749 -8.175 -1.931 1.00 0.00 H new ATOM 0 HA ARG A 140 -6.993 -5.914 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.275 -6.057 -3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.720 -6.559 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.835 -4.219 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.529 -3.767 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.560 -3.149 -4.112 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.950 -4.562 -4.950 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.780 -5.821 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.606 -2.700 -2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.214 -2.857 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -13.845 -6.014 -3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -14.476 -4.724 -2.244 1.00 0.00 H new ATOM 1100 N MET A 141 -7.851 -4.426 -0.036 1.00 0.00 N ATOM 1101 CA MET A 141 -8.252 -3.629 1.118 1.00 0.00 C ATOM 1102 C MET A 141 -8.711 -2.240 0.685 1.00 0.00 C ATOM 1103 O MET A 141 -8.224 -1.695 -0.305 1.00 0.00 O ATOM 1104 CB MET A 141 -7.094 -3.510 2.110 1.00 0.00 C ATOM 1105 CG MET A 141 -5.733 -3.394 1.445 1.00 0.00 C ATOM 1106 SD MET A 141 -5.512 -1.825 0.584 1.00 0.00 S ATOM 1107 CE MET A 141 -3.933 -1.296 1.243 1.00 0.00 C ATOM 0 H MET A 141 -7.002 -4.101 -0.499 1.00 0.00 H new ATOM 0 HA MET A 141 -9.087 -4.133 1.605 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.256 -2.637 2.742 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.096 -4.382 2.764 1.00 0.00 H new ATOM 0 HG2 MET A 141 -4.954 -3.503 2.199 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.608 -4.213 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.381 -0.755 0.475 1.00 0.00 H new ATOM 0 HE2 MET A 141 -4.097 -0.643 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.359 -2.168 1.556 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.651 -1.673 1.434 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.176 -0.347 1.128 1.00 0.00 C ATOM 1119 C HIS A 142 -9.475 0.721 1.963 1.00 0.00 C ATOM 1120 O HIS A 142 -9.563 0.721 3.191 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.683 -0.300 1.381 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.393 -1.563 1.002 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.705 -1.819 1.339 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -11.967 -2.644 0.308 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.055 -3.004 0.872 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.018 -3.526 0.241 1.00 0.00 N ATOM 0 H HIS A 142 -10.065 -2.111 2.257 1.00 0.00 H new ATOM 0 HA HIS A 142 -9.986 -0.143 0.074 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.860 -0.096 2.437 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.112 0.531 0.820 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -10.983 -2.787 -0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.024 -3.467 0.986 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.001 -4.435 -0.221 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.778 1.630 1.288 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.062 2.703 1.968 1.00 0.00 C ATOM 1137 C VAL A 143 -8.760 4.043 1.766 1.00 0.00 C ATOM 1138 O VAL A 143 -9.195 4.367 0.661 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.609 2.813 1.468 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.856 3.881 2.246 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -5.906 1.468 1.574 1.00 0.00 C ATOM 0 H VAL A 143 -8.694 1.645 0.272 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.055 2.456 3.030 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.625 3.106 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.832 3.944 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.349 4.844 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.847 3.621 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.881 1.564 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.899 1.142 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.434 0.733 0.967 1.00 0.00 H new ATOM 1151 N GLN A 144 -8.863 4.818 2.841 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.510 6.124 2.781 1.00 0.00 C ATOM 1153 C GLN A 144 -9.116 6.981 3.980 1.00 0.00 C ATOM 1154 O GLN A 144 -8.278 6.586 4.791 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.030 5.962 2.732 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.630 5.453 4.032 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.043 4.931 3.858 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.486 4.669 2.740 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.758 4.776 4.966 1.00 0.00 N ATOM 0 H GLN A 144 -8.507 4.565 3.763 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.176 6.626 1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.482 6.923 2.485 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.288 5.272 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.000 4.658 4.432 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.632 6.258 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -13.350 5.006 5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.715 4.427 4.911 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.726 8.157 4.086 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.439 9.071 5.186 1.00 0.00 C ATOM 1170 C LEU A 145 -10.055 8.567 6.487 1.00 0.00 C ATOM 1171 O LEU A 145 -11.233 8.213 6.531 1.00 0.00 O ATOM 1172 CB LEU A 145 -9.970 10.469 4.864 1.00 0.00 C ATOM 1173 CG LEU A 145 -9.010 11.397 4.118 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.740 11.612 4.926 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -8.681 10.830 2.745 1.00 0.00 C ATOM 0 H LEU A 145 -10.422 8.500 3.424 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.358 9.120 5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.877 10.363 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.257 10.951 5.799 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.498 12.362 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.069 12.275 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.992 12.062 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.248 10.654 5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.997 11.503 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.212 9.852 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.598 10.728 2.164 1.00 0.00 H new