USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 848 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 11 THR OG1 : rot -81:sc= 0.853 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.581 USER MOD Set 1.3: A 78 SER OG : rot -97:sc= -0.327 USER MOD Set 2.1: A 70 ASN : amide:sc= -0.521 X(o=-0.5,f=-0.85) USER MOD Set 2.2: A 72 THR OG1 : rot 180:sc= 0.0206 USER MOD Set 3.1: A 18 THR OG1 : rot 113:sc= -0.593 USER MOD Set 3.2: A 28 THR OG1 : rot -1:sc= 0.464 USER MOD Single : A 13 GLN : amide:sc= -2.05 K(o=-2,f=-4.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.987 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -62:sc= 0.637 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.962 USER MOD Single : A 40 ASN : amide:sc= 0.0345 K(o=0.034,f=-0.94) USER MOD Single : A 41 MET CE :methyl -171:sc= -0.441 (180deg=-0.549) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00661 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 79:sc= 1 USER MOD Single : A 50 SER OG : rot -5:sc= 0.676 USER MOD Single : A 58 THR OG1 : rot -142:sc= 0.533 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.022) USER MOD Single : A 73 SER OG : rot -41:sc= 0.864 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 88 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.3) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 106 CYS SG : rot -121:sc= -3.84! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.235 -15.074 7.079 1.00 0.00 N ATOM 85 CA LEU A 6 11.130 -14.044 6.051 1.00 0.00 C ATOM 86 C LEU A 6 12.095 -14.370 4.892 1.00 0.00 C ATOM 87 O LEU A 6 13.314 -14.215 5.020 1.00 0.00 O ATOM 88 CB LEU A 6 11.428 -12.649 6.667 1.00 0.00 C ATOM 89 CG LEU A 6 10.570 -12.204 7.907 1.00 0.00 C ATOM 90 CD1 LEU A 6 9.064 -12.399 7.667 1.00 0.00 C ATOM 91 CD2 LEU A 6 11.032 -12.893 9.213 1.00 0.00 C ATOM 0 HA LEU A 6 10.116 -14.022 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.478 -12.628 6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.300 -11.901 5.884 1.00 0.00 H new ATOM 0 HG LEU A 6 10.739 -11.135 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.510 -12.079 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.753 -11.805 6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.860 -13.452 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.411 -12.555 10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.939 -13.974 9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.073 -12.636 9.411 1.00 0.00 H new ATOM 103 N ARG A 7 11.521 -14.861 3.788 1.00 0.00 N ATOM 104 CA ARG A 7 12.274 -15.366 2.615 1.00 0.00 C ATOM 105 C ARG A 7 12.700 -14.229 1.661 1.00 0.00 C ATOM 106 O ARG A 7 13.800 -14.238 1.108 1.00 0.00 O ATOM 107 CB ARG A 7 11.396 -16.407 1.854 1.00 0.00 C ATOM 108 CG ARG A 7 10.021 -15.862 1.391 1.00 0.00 C ATOM 109 CD ARG A 7 9.089 -16.919 0.787 1.00 0.00 C ATOM 110 NE ARG A 7 9.583 -17.453 -0.491 1.00 0.00 N ATOM 111 CZ ARG A 7 8.824 -18.050 -1.421 1.00 0.00 C ATOM 112 NH1 ARG A 7 7.512 -18.204 -1.248 1.00 0.00 N ATOM 113 NH2 ARG A 7 9.378 -18.493 -2.535 1.00 0.00 N ATOM 0 H ARG A 7 10.509 -14.923 3.674 1.00 0.00 H new ATOM 0 HA ARG A 7 13.188 -15.837 2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.946 -16.761 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.233 -17.270 2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.522 -15.400 2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.185 -15.077 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.969 -17.738 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.102 -16.482 0.635 1.00 0.00 H new ATOM 0 HE ARG A 7 10.580 -17.362 -0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.067 -17.865 -0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.953 -18.661 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.380 -18.380 -2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.803 -18.948 -3.245 1.00 0.00 H new ATOM 127 N ASP A 8 11.802 -13.270 1.479 1.00 0.00 N ATOM 128 CA ASP A 8 11.874 -12.213 0.458 1.00 0.00 C ATOM 129 C ASP A 8 12.156 -10.843 1.134 1.00 0.00 C ATOM 130 O ASP A 8 12.459 -10.798 2.332 1.00 0.00 O ATOM 131 CB ASP A 8 10.496 -12.223 -0.290 1.00 0.00 C ATOM 132 CG ASP A 8 10.548 -11.579 -1.677 1.00 0.00 C ATOM 133 OD1 ASP A 8 11.030 -12.249 -2.615 1.00 0.00 O ATOM 134 OD2 ASP A 8 10.154 -10.411 -1.823 1.00 0.00 O ATOM 0 H ASP A 8 10.966 -13.197 2.059 1.00 0.00 H new ATOM 0 HA ASP A 8 12.685 -12.384 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.153 -13.253 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.758 -11.699 0.318 1.00 0.00 H new ATOM 139 N ARG A 9 12.075 -9.739 0.358 1.00 0.00 N ATOM 140 CA ARG A 9 12.201 -8.346 0.857 1.00 0.00 C ATOM 141 C ARG A 9 11.253 -7.417 0.083 1.00 0.00 C ATOM 142 O ARG A 9 11.028 -7.602 -1.116 1.00 0.00 O ATOM 143 CB ARG A 9 13.651 -7.803 0.717 1.00 0.00 C ATOM 144 CG ARG A 9 14.689 -8.412 1.681 1.00 0.00 C ATOM 145 CD ARG A 9 16.073 -7.777 1.505 1.00 0.00 C ATOM 146 NE ARG A 9 16.590 -7.958 0.128 1.00 0.00 N ATOM 147 CZ ARG A 9 16.998 -6.981 -0.706 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.005 -5.703 -0.326 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.420 -7.297 -1.920 1.00 0.00 N ATOM 0 H ARG A 9 11.918 -9.789 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 9 11.938 -8.364 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.987 -7.976 -0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.631 -6.724 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.354 -8.274 2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.758 -9.486 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.017 -6.713 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.770 -8.221 2.216 1.00 0.00 H new ATOM 0 HE ARG A 9 16.642 -8.914 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.697 -5.448 0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.318 -4.980 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.434 -8.273 -2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.731 -6.565 -2.559 1.00 0.00 H new ATOM 163 N ILE A 10 10.746 -6.386 0.782 1.00 0.00 N ATOM 164 CA ILE A 10 9.862 -5.343 0.213 1.00 0.00 C ATOM 165 C ILE A 10 10.354 -3.957 0.651 1.00 0.00 C ATOM 166 O ILE A 10 11.000 -3.828 1.689 1.00 0.00 O ATOM 167 CB ILE A 10 8.339 -5.497 0.639 1.00 0.00 C ATOM 168 CG1 ILE A 10 8.027 -4.989 2.098 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.838 -6.939 0.452 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.738 -5.675 3.242 1.00 0.00 C ATOM 0 H ILE A 10 10.940 -6.248 1.774 1.00 0.00 H new ATOM 0 HA ILE A 10 9.909 -5.461 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 10 7.790 -4.842 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.265 -3.926 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.954 -5.082 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.793 -7.003 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.931 -7.223 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.435 -7.614 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.429 -5.224 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.483 -6.735 3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.815 -5.561 3.122 1.00 0.00 H new ATOM 182 N THR A 11 10.034 -2.935 -0.144 1.00 0.00 N ATOM 183 CA THR A 11 10.225 -1.526 0.209 1.00 0.00 C ATOM 184 C THR A 11 8.849 -0.899 0.468 1.00 0.00 C ATOM 185 O THR A 11 7.956 -1.006 -0.377 1.00 0.00 O ATOM 186 CB THR A 11 10.953 -0.748 -0.935 1.00 0.00 C ATOM 187 OG1 THR A 11 12.073 -1.519 -1.387 1.00 0.00 O ATOM 188 CG2 THR A 11 11.447 0.626 -0.460 1.00 0.00 C ATOM 0 H THR A 11 9.627 -3.065 -1.070 1.00 0.00 H new ATOM 0 HA THR A 11 10.848 -1.465 1.101 1.00 0.00 H new ATOM 0 HB THR A 11 10.241 -0.591 -1.745 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.829 -1.385 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.948 1.137 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.598 1.222 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.147 0.496 0.366 1.00 0.00 H new ATOM 196 N ILE A 12 8.677 -0.288 1.653 1.00 0.00 N ATOM 197 CA ILE A 12 7.397 0.340 2.045 1.00 0.00 C ATOM 198 C ILE A 12 7.289 1.753 1.448 1.00 0.00 C ATOM 199 O ILE A 12 8.184 2.576 1.623 1.00 0.00 O ATOM 200 CB ILE A 12 7.220 0.446 3.607 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.606 -0.889 4.321 1.00 0.00 C ATOM 202 CG2 ILE A 12 5.772 0.885 3.976 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.779 -2.098 3.935 1.00 0.00 C ATOM 0 H ILE A 12 9.409 -0.214 2.360 1.00 0.00 H new ATOM 0 HA ILE A 12 6.610 -0.306 1.656 1.00 0.00 H new ATOM 0 HB ILE A 12 7.905 1.215 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.653 -1.104 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.522 -0.742 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.677 0.950 5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.563 1.859 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.061 0.153 3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.129 -2.970 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.732 -1.914 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.880 -2.282 2.865 1.00 0.00 H new ATOM 215 N GLN A 13 6.196 2.001 0.730 1.00 0.00 N ATOM 216 CA GLN A 13 5.808 3.336 0.255 1.00 0.00 C ATOM 217 C GLN A 13 4.967 4.015 1.336 1.00 0.00 C ATOM 218 O GLN A 13 3.788 3.706 1.529 1.00 0.00 O ATOM 219 CB GLN A 13 5.038 3.284 -1.105 1.00 0.00 C ATOM 220 CG GLN A 13 5.941 3.081 -2.341 1.00 0.00 C ATOM 221 CD GLN A 13 6.740 1.780 -2.307 1.00 0.00 C ATOM 222 OE1 GLN A 13 6.266 0.762 -1.807 1.00 0.00 O ATOM 223 NE2 GLN A 13 7.967 1.809 -2.806 1.00 0.00 N ATOM 0 H GLN A 13 5.540 1.270 0.455 1.00 0.00 H new ATOM 0 HA GLN A 13 6.713 3.915 0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.309 2.474 -1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.478 4.211 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.323 3.095 -3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.632 3.920 -2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.331 2.670 -3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.547 0.970 -2.782 1.00 0.00 H new ATOM 232 N THR A 14 5.634 4.887 2.074 1.00 0.00 N ATOM 233 CA THR A 14 5.004 5.771 3.051 1.00 0.00 C ATOM 234 C THR A 14 4.465 7.016 2.320 1.00 0.00 C ATOM 235 O THR A 14 5.085 7.479 1.359 1.00 0.00 O ATOM 236 CB THR A 14 6.031 6.152 4.158 1.00 0.00 C ATOM 237 OG1 THR A 14 7.259 6.602 3.562 1.00 0.00 O ATOM 238 CG2 THR A 14 6.335 4.959 5.093 1.00 0.00 C ATOM 0 H THR A 14 6.645 5.005 2.013 1.00 0.00 H new ATOM 0 HA THR A 14 4.169 5.267 3.538 1.00 0.00 H new ATOM 0 HB THR A 14 5.586 6.952 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.897 6.840 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.055 5.265 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.415 4.633 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.749 4.136 4.510 1.00 0.00 H new ATOM 246 N LEU A 15 3.314 7.547 2.751 1.00 0.00 N ATOM 247 CA LEU A 15 2.633 8.645 2.047 1.00 0.00 C ATOM 248 C LEU A 15 3.104 10.005 2.582 1.00 0.00 C ATOM 249 O LEU A 15 2.783 10.379 3.717 1.00 0.00 O ATOM 250 CB LEU A 15 1.096 8.516 2.208 1.00 0.00 C ATOM 251 CG LEU A 15 0.239 9.598 1.472 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.466 9.559 -0.052 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.257 9.459 1.828 1.00 0.00 C ATOM 0 H LEU A 15 2.830 7.232 3.592 1.00 0.00 H new ATOM 0 HA LEU A 15 2.885 8.581 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.793 7.533 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.857 8.552 3.271 1.00 0.00 H new ATOM 0 HG LEU A 15 0.571 10.576 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.145 10.324 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.518 9.747 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.186 8.578 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.829 10.224 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.612 8.472 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.388 9.583 2.903 1.00 0.00 H new ATOM 265 N LYS A 16 3.898 10.716 1.774 1.00 0.00 N ATOM 266 CA LYS A 16 4.274 12.107 2.029 1.00 0.00 C ATOM 267 C LYS A 16 3.162 13.039 1.515 1.00 0.00 C ATOM 268 O LYS A 16 3.070 13.320 0.312 1.00 0.00 O ATOM 269 CB LYS A 16 5.624 12.436 1.331 1.00 0.00 C ATOM 270 CG LYS A 16 6.173 13.856 1.619 1.00 0.00 C ATOM 271 CD LYS A 16 7.502 14.136 0.882 1.00 0.00 C ATOM 272 CE LYS A 16 8.045 15.558 1.128 1.00 0.00 C ATOM 273 NZ LYS A 16 9.355 15.764 0.451 1.00 0.00 N ATOM 0 H LYS A 16 4.300 10.337 0.917 1.00 0.00 H new ATOM 0 HA LYS A 16 4.399 12.257 3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.368 11.703 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.498 12.321 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.432 14.597 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.324 13.973 2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.248 13.409 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.354 13.991 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.326 16.292 0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.157 15.726 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.693 16.730 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.047 15.079 0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.242 15.627 -0.574 1.00 0.00 H new ATOM 287 N GLN A 17 2.286 13.458 2.426 1.00 0.00 N ATOM 288 CA GLN A 17 1.280 14.489 2.153 1.00 0.00 C ATOM 289 C GLN A 17 1.981 15.860 2.129 1.00 0.00 C ATOM 290 O GLN A 17 2.154 16.508 3.169 1.00 0.00 O ATOM 291 CB GLN A 17 0.161 14.418 3.226 1.00 0.00 C ATOM 292 CG GLN A 17 -0.613 13.087 3.232 1.00 0.00 C ATOM 293 CD GLN A 17 -1.612 12.975 4.385 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.296 12.454 5.456 1.00 0.00 O ATOM 295 NE2 GLN A 17 -2.808 13.501 4.187 1.00 0.00 N ATOM 0 H GLN A 17 2.252 13.093 3.378 1.00 0.00 H new ATOM 0 HA GLN A 17 0.807 14.330 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.604 14.574 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.541 15.235 3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.145 12.980 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.097 12.262 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.036 13.925 3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.503 13.483 4.934 1.00 0.00 H new ATOM 304 N THR A 18 2.427 16.259 0.931 1.00 0.00 N ATOM 305 CA THR A 18 3.259 17.456 0.713 1.00 0.00 C ATOM 306 C THR A 18 2.348 18.673 0.459 1.00 0.00 C ATOM 307 O THR A 18 1.170 18.503 0.142 1.00 0.00 O ATOM 308 CB THR A 18 4.210 17.232 -0.524 1.00 0.00 C ATOM 309 OG1 THR A 18 4.804 15.923 -0.462 1.00 0.00 O ATOM 310 CG2 THR A 18 5.339 18.277 -0.607 1.00 0.00 C ATOM 0 H THR A 18 2.218 15.753 0.070 1.00 0.00 H new ATOM 0 HA THR A 18 3.869 17.638 1.598 1.00 0.00 H new ATOM 0 HB THR A 18 3.587 17.335 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.459 15.372 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.961 18.072 -1.478 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.907 19.274 -0.696 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.949 18.226 0.295 1.00 0.00 H new ATOM 318 N ARG A 19 2.875 19.899 0.621 1.00 0.00 N ATOM 319 CA ARG A 19 2.131 21.127 0.309 1.00 0.00 C ATOM 320 C ARG A 19 2.933 22.014 -0.664 1.00 0.00 C ATOM 321 O ARG A 19 4.163 21.954 -0.701 1.00 0.00 O ATOM 322 CB ARG A 19 1.787 21.879 1.620 1.00 0.00 C ATOM 323 CG ARG A 19 0.776 23.042 1.448 1.00 0.00 C ATOM 324 CD ARG A 19 0.336 23.657 2.781 1.00 0.00 C ATOM 325 NE ARG A 19 1.457 24.260 3.520 1.00 0.00 N ATOM 326 CZ ARG A 19 1.372 24.798 4.741 1.00 0.00 C ATOM 327 NH1 ARG A 19 0.217 24.829 5.392 1.00 0.00 N ATOM 328 NH2 ARG A 19 2.452 25.313 5.306 1.00 0.00 N ATOM 0 H ARG A 19 3.820 20.064 0.969 1.00 0.00 H new ATOM 0 HA ARG A 19 1.196 20.866 -0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.382 21.165 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.707 22.275 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.225 23.817 0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.102 22.677 0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.423 24.417 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.129 22.887 3.397 1.00 0.00 H new ATOM 0 HE ARG A 19 2.370 24.268 3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.622 24.439 4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.167 25.243 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.343 25.298 4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.393 25.725 6.237 1.00 0.00 H new ATOM 342 N ASP A 20 2.203 22.844 -1.418 1.00 0.00 N ATOM 343 CA ASP A 20 2.750 23.737 -2.460 1.00 0.00 C ATOM 344 C ASP A 20 2.759 25.178 -1.918 1.00 0.00 C ATOM 345 O ASP A 20 2.015 25.482 -0.979 1.00 0.00 O ATOM 346 CB ASP A 20 1.861 23.639 -3.729 1.00 0.00 C ATOM 347 CG ASP A 20 2.407 24.427 -4.937 1.00 0.00 C ATOM 348 OD1 ASP A 20 2.096 25.635 -5.071 1.00 0.00 O ATOM 349 OD2 ASP A 20 3.150 23.840 -5.753 1.00 0.00 O ATOM 0 H ASP A 20 1.190 22.919 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 20 3.767 23.446 -2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.758 22.590 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.862 24.005 -3.490 1.00 0.00 H new ATOM 354 N ILE A 21 3.573 26.062 -2.520 1.00 0.00 N ATOM 355 CA ILE A 21 3.687 27.489 -2.128 1.00 0.00 C ATOM 356 C ILE A 21 2.363 28.299 -2.295 1.00 0.00 C ATOM 357 O ILE A 21 2.240 29.417 -1.772 1.00 0.00 O ATOM 358 CB ILE A 21 4.851 28.170 -2.950 1.00 0.00 C ATOM 359 CG1 ILE A 21 5.257 29.563 -2.346 1.00 0.00 C ATOM 360 CG2 ILE A 21 4.481 28.280 -4.454 1.00 0.00 C ATOM 361 CD1 ILE A 21 6.435 30.243 -3.035 1.00 0.00 C ATOM 0 H ILE A 21 4.179 25.810 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 21 3.912 27.503 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 21 5.728 27.527 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.395 30.228 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.500 29.429 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.300 28.752 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.305 27.284 -4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.578 28.881 -4.564 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.640 31.197 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.315 29.604 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.193 30.415 -4.084 1.00 0.00 H new ATOM 373 N THR A 22 1.351 27.721 -2.976 1.00 0.00 N ATOM 374 CA THR A 22 0.027 28.367 -3.163 1.00 0.00 C ATOM 375 C THR A 22 -1.034 27.625 -2.296 1.00 0.00 C ATOM 376 O THR A 22 -2.221 27.974 -2.282 1.00 0.00 O ATOM 377 CB THR A 22 -0.396 28.375 -4.667 1.00 0.00 C ATOM 378 OG1 THR A 22 -0.492 27.030 -5.171 1.00 0.00 O ATOM 379 CG2 THR A 22 0.587 29.183 -5.534 1.00 0.00 C ATOM 0 H THR A 22 1.424 26.801 -3.410 1.00 0.00 H new ATOM 0 HA THR A 22 0.096 29.406 -2.842 1.00 0.00 H new ATOM 0 HB THR A 22 -1.373 28.856 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.387 26.599 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.257 29.164 -6.573 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.619 30.214 -5.183 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.582 28.744 -5.461 1.00 0.00 H new ATOM 387 N GLY A 23 -0.553 26.586 -1.593 1.00 0.00 N ATOM 388 CA GLY A 23 -1.310 25.883 -0.559 1.00 0.00 C ATOM 389 C GLY A 23 -2.004 24.627 -1.042 1.00 0.00 C ATOM 390 O GLY A 23 -3.023 24.228 -0.470 1.00 0.00 O ATOM 0 H GLY A 23 0.385 26.211 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.634 25.621 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.057 26.562 -0.147 1.00 0.00 H new ATOM 394 N GLU A 24 -1.447 23.968 -2.071 1.00 0.00 N ATOM 395 CA GLU A 24 -2.041 22.745 -2.656 1.00 0.00 C ATOM 396 C GLU A 24 -1.434 21.521 -1.971 1.00 0.00 C ATOM 397 O GLU A 24 -0.220 21.483 -1.778 1.00 0.00 O ATOM 398 CB GLU A 24 -1.749 22.680 -4.181 1.00 0.00 C ATOM 399 CG GLU A 24 -2.183 23.924 -4.976 1.00 0.00 C ATOM 400 CD GLU A 24 -3.699 24.189 -4.912 1.00 0.00 C ATOM 401 OE1 GLU A 24 -4.444 23.653 -5.763 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.155 24.935 -4.014 1.00 0.00 O ATOM 0 H GLU A 24 -0.580 24.261 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.120 22.763 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.679 22.529 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.253 21.807 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.652 24.795 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.886 23.803 -6.018 1.00 0.00 H new ATOM 409 N ILE A 25 -2.261 20.541 -1.590 1.00 0.00 N ATOM 410 CA ILE A 25 -1.769 19.284 -0.996 1.00 0.00 C ATOM 411 C ILE A 25 -1.532 18.245 -2.104 1.00 0.00 C ATOM 412 O ILE A 25 -2.459 17.879 -2.834 1.00 0.00 O ATOM 413 CB ILE A 25 -2.742 18.685 0.087 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.088 19.748 1.174 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.129 17.408 0.741 1.00 0.00 C ATOM 416 CD1 ILE A 25 -1.897 20.251 1.980 1.00 0.00 C ATOM 0 H ILE A 25 -3.276 20.590 -1.681 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.836 19.523 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.666 18.399 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.566 20.599 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.818 19.320 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.820 17.013 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.953 16.655 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.185 17.663 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.236 20.986 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.429 19.414 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.173 20.713 1.309 1.00 0.00 H new ATOM 428 N LEU A 26 -0.270 17.812 -2.244 1.00 0.00 N ATOM 429 CA LEU A 26 0.135 16.765 -3.183 1.00 0.00 C ATOM 430 C LEU A 26 0.452 15.498 -2.385 1.00 0.00 C ATOM 431 O LEU A 26 1.489 15.430 -1.706 1.00 0.00 O ATOM 432 CB LEU A 26 1.390 17.194 -4.020 1.00 0.00 C ATOM 433 CG LEU A 26 1.322 18.552 -4.802 1.00 0.00 C ATOM 434 CD1 LEU A 26 0.018 18.691 -5.602 1.00 0.00 C ATOM 435 CD2 LEU A 26 1.579 19.775 -3.883 1.00 0.00 C ATOM 0 H LEU A 26 0.506 18.187 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.680 16.585 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.243 17.240 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.597 16.403 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 26 2.136 18.535 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.014 19.646 -6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.054 17.878 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.833 18.647 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.521 20.691 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.827 19.802 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.570 19.693 -3.436 1.00 0.00 H new ATOM 447 N GLU A 27 -0.436 14.501 -2.463 1.00 0.00 N ATOM 448 CA GLU A 27 -0.203 13.203 -1.842 1.00 0.00 C ATOM 449 C GLU A 27 0.749 12.425 -2.758 1.00 0.00 C ATOM 450 O GLU A 27 0.416 12.126 -3.910 1.00 0.00 O ATOM 451 CB GLU A 27 -1.526 12.417 -1.618 1.00 0.00 C ATOM 452 CG GLU A 27 -2.565 13.105 -0.697 1.00 0.00 C ATOM 453 CD GLU A 27 -3.518 14.056 -1.438 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.575 13.595 -1.928 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.207 15.254 -1.554 1.00 0.00 O ATOM 0 H GLU A 27 -1.327 14.574 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 27 0.235 13.341 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.990 12.237 -2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.282 11.442 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.152 12.338 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.038 13.664 0.076 1.00 0.00 H new ATOM 462 N THR A 28 1.944 12.156 -2.235 1.00 0.00 N ATOM 463 CA THR A 28 3.032 11.501 -2.965 1.00 0.00 C ATOM 464 C THR A 28 3.562 10.357 -2.112 1.00 0.00 C ATOM 465 O THR A 28 3.486 10.404 -0.888 1.00 0.00 O ATOM 466 CB THR A 28 4.186 12.510 -3.308 1.00 0.00 C ATOM 467 OG1 THR A 28 4.552 13.262 -2.142 1.00 0.00 O ATOM 468 CG2 THR A 28 3.783 13.477 -4.433 1.00 0.00 C ATOM 0 H THR A 28 2.189 12.391 -1.273 1.00 0.00 H new ATOM 0 HA THR A 28 2.649 11.120 -3.912 1.00 0.00 H new ATOM 0 HB THR A 28 5.038 11.923 -3.652 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.982 12.997 -1.390 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.608 14.158 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.546 12.910 -5.333 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.908 14.050 -4.125 1.00 0.00 H new ATOM 476 N TRP A 29 4.108 9.340 -2.759 1.00 0.00 N ATOM 477 CA TRP A 29 4.547 8.113 -2.093 1.00 0.00 C ATOM 478 C TRP A 29 6.070 8.103 -2.043 1.00 0.00 C ATOM 479 O TRP A 29 6.738 7.903 -3.060 1.00 0.00 O ATOM 480 CB TRP A 29 3.963 6.874 -2.813 1.00 0.00 C ATOM 481 CG TRP A 29 2.458 6.807 -2.686 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.527 7.292 -3.559 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.722 6.258 -1.585 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.265 7.060 -3.073 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.359 6.431 -1.863 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.090 5.622 -0.401 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.642 5.992 -0.996 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.103 5.200 0.468 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.255 5.383 0.167 1.00 0.00 C ATOM 0 H TRP A 29 4.262 9.337 -3.767 1.00 0.00 H new ATOM 0 HA TRP A 29 4.175 8.077 -1.069 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.238 6.904 -3.867 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.404 5.969 -2.394 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.751 7.785 -4.493 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.605 7.316 -3.540 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.132 5.461 -0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.687 6.128 -1.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.381 4.721 1.395 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.006 5.038 0.863 1.00 0.00 H new ATOM 500 N GLU A 30 6.599 8.395 -0.853 1.00 0.00 N ATOM 501 CA GLU A 30 8.040 8.374 -0.602 1.00 0.00 C ATOM 502 C GLU A 30 8.417 6.945 -0.204 1.00 0.00 C ATOM 503 O GLU A 30 7.756 6.337 0.650 1.00 0.00 O ATOM 504 CB GLU A 30 8.469 9.411 0.482 1.00 0.00 C ATOM 505 CG GLU A 30 7.744 9.301 1.839 1.00 0.00 C ATOM 506 CD GLU A 30 8.432 10.095 2.966 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.151 11.298 3.142 1.00 0.00 O ATOM 508 OE2 GLU A 30 9.277 9.517 3.678 1.00 0.00 O ATOM 0 H GLU A 30 6.041 8.652 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 30 8.575 8.668 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.540 9.307 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.306 10.413 0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.720 9.658 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.686 8.251 2.127 1.00 0.00 H new ATOM 515 N ASP A 31 9.438 6.385 -0.877 1.00 0.00 N ATOM 516 CA ASP A 31 9.957 5.055 -0.543 1.00 0.00 C ATOM 517 C ASP A 31 10.615 5.127 0.840 1.00 0.00 C ATOM 518 O ASP A 31 11.193 6.163 1.202 1.00 0.00 O ATOM 519 CB ASP A 31 10.951 4.534 -1.616 1.00 0.00 C ATOM 520 CG ASP A 31 12.270 5.324 -1.667 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.298 6.423 -2.265 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.281 4.857 -1.097 1.00 0.00 O ATOM 0 H ASP A 31 9.918 6.837 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 31 9.133 4.342 -0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.172 3.486 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.473 4.578 -2.594 1.00 0.00 H new ATOM 527 N GLY A 32 10.510 4.051 1.603 1.00 0.00 N ATOM 528 CA GLY A 32 10.930 4.030 2.993 1.00 0.00 C ATOM 529 C GLY A 32 12.074 3.071 3.208 1.00 0.00 C ATOM 530 O GLY A 32 13.212 3.336 2.803 1.00 0.00 O ATOM 0 H GLY A 32 10.129 3.164 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.231 5.032 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.089 3.743 3.624 1.00 0.00 H new ATOM 534 N HIS A 33 11.761 1.945 3.843 1.00 0.00 N ATOM 535 CA HIS A 33 12.741 0.959 4.292 1.00 0.00 C ATOM 536 C HIS A 33 12.517 -0.338 3.522 1.00 0.00 C ATOM 537 O HIS A 33 11.366 -0.756 3.341 1.00 0.00 O ATOM 538 CB HIS A 33 12.579 0.724 5.815 1.00 0.00 C ATOM 539 CG HIS A 33 12.885 1.937 6.655 1.00 0.00 C ATOM 540 ND1 HIS A 33 11.911 2.778 7.155 1.00 0.00 N ATOM 541 CD2 HIS A 33 14.065 2.462 7.054 1.00 0.00 C ATOM 542 CE1 HIS A 33 12.479 3.764 7.819 1.00 0.00 C ATOM 543 NE2 HIS A 33 13.785 3.596 7.773 1.00 0.00 N ATOM 0 H HIS A 33 10.799 1.687 4.065 1.00 0.00 H new ATOM 0 HA HIS A 33 13.753 1.318 4.105 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.557 0.403 6.017 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.235 -0.091 6.119 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.046 2.063 6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.962 4.572 8.316 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.477 4.210 8.203 1.00 0.00 H new ATOM 552 N THR A 34 13.602 -0.958 3.038 1.00 0.00 N ATOM 553 CA THR A 34 13.536 -2.268 2.398 1.00 0.00 C ATOM 554 C THR A 34 13.830 -3.346 3.455 1.00 0.00 C ATOM 555 O THR A 34 14.996 -3.613 3.772 1.00 0.00 O ATOM 556 CB THR A 34 14.553 -2.354 1.211 1.00 0.00 C ATOM 557 OG1 THR A 34 14.405 -1.197 0.370 1.00 0.00 O ATOM 558 CG2 THR A 34 14.344 -3.623 0.365 1.00 0.00 C ATOM 0 H THR A 34 14.542 -0.564 3.081 1.00 0.00 H new ATOM 0 HA THR A 34 12.540 -2.427 1.985 1.00 0.00 H new ATOM 0 HB THR A 34 15.556 -2.394 1.636 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.042 -1.249 -0.373 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.070 -3.642 -0.447 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.477 -4.504 0.992 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.336 -3.622 -0.050 1.00 0.00 H new ATOM 566 N LEU A 35 12.766 -3.923 4.043 1.00 0.00 N ATOM 567 CA LEU A 35 12.883 -4.927 5.119 1.00 0.00 C ATOM 568 C LEU A 35 12.434 -6.314 4.643 1.00 0.00 C ATOM 569 O LEU A 35 11.885 -6.472 3.554 1.00 0.00 O ATOM 570 CB LEU A 35 12.090 -4.497 6.404 1.00 0.00 C ATOM 571 CG LEU A 35 10.559 -4.184 6.249 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.804 -4.377 7.587 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.331 -2.751 5.721 1.00 0.00 C ATOM 0 H LEU A 35 11.802 -3.708 3.787 1.00 0.00 H new ATOM 0 HA LEU A 35 13.938 -4.987 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.196 -5.290 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.573 -3.610 6.815 1.00 0.00 H new ATOM 0 HG LEU A 35 10.161 -4.892 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.747 -4.152 7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.914 -5.409 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.219 -3.706 8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.261 -2.565 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.763 -2.033 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.808 -2.642 4.747 1.00 0.00 H new ATOM 585 N TRP A 36 12.721 -7.308 5.493 1.00 0.00 N ATOM 586 CA TRP A 36 12.445 -8.721 5.245 1.00 0.00 C ATOM 587 C TRP A 36 10.929 -9.029 5.309 1.00 0.00 C ATOM 588 O TRP A 36 10.232 -8.641 6.248 1.00 0.00 O ATOM 589 CB TRP A 36 13.231 -9.571 6.279 1.00 0.00 C ATOM 590 CG TRP A 36 14.707 -9.820 5.972 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.325 -11.037 5.965 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.738 -8.861 5.634 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.656 -10.898 5.673 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.934 -9.579 5.461 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.769 -7.476 5.469 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.140 -8.963 5.129 1.00 0.00 C ATOM 597 CZ3 TRP A 36 16.959 -6.861 5.139 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.134 -7.606 4.974 1.00 0.00 C ATOM 0 H TRP A 36 13.164 -7.142 6.397 1.00 0.00 H new ATOM 0 HA TRP A 36 12.771 -8.975 4.236 1.00 0.00 H new ATOM 0 HB2 TRP A 36 13.162 -9.079 7.249 1.00 0.00 H new ATOM 0 HB3 TRP A 36 12.734 -10.537 6.376 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.833 -11.978 6.162 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.332 -11.660 5.622 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.870 -6.891 5.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.045 -9.538 4.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 16.985 -5.790 5.006 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.052 -7.098 4.719 1.00 0.00 H new ATOM 609 N ALA A 37 10.465 -9.721 4.270 1.00 0.00 N ATOM 610 CA ALA A 37 9.078 -10.213 4.147 1.00 0.00 C ATOM 611 C ALA A 37 9.037 -11.646 3.617 1.00 0.00 C ATOM 612 O ALA A 37 10.064 -12.239 3.370 1.00 0.00 O ATOM 613 CB ALA A 37 8.268 -9.298 3.226 1.00 0.00 C ATOM 0 H ALA A 37 11.048 -9.965 3.469 1.00 0.00 H new ATOM 0 HA ALA A 37 8.637 -10.206 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.248 -9.674 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.252 -8.289 3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.727 -9.279 2.237 1.00 0.00 H new ATOM 619 N SER A 38 7.827 -12.221 3.529 1.00 0.00 N ATOM 620 CA SER A 38 7.541 -13.426 2.749 1.00 0.00 C ATOM 621 C SER A 38 6.308 -13.144 1.887 1.00 0.00 C ATOM 622 O SER A 38 5.176 -13.186 2.377 1.00 0.00 O ATOM 623 CB SER A 38 7.289 -14.623 3.691 1.00 0.00 C ATOM 624 OG SER A 38 8.422 -14.875 4.492 1.00 0.00 O ATOM 0 H SER A 38 7.007 -11.851 4.009 1.00 0.00 H new ATOM 0 HA SER A 38 8.389 -13.681 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.427 -14.417 4.326 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.048 -15.509 3.104 1.00 0.00 H new ATOM 0 HG SER A 38 8.242 -15.636 5.083 1.00 0.00 H new ATOM 630 N VAL A 39 6.548 -12.812 0.616 1.00 0.00 N ATOM 631 CA VAL A 39 5.505 -12.390 -0.319 1.00 0.00 C ATOM 632 C VAL A 39 4.976 -13.617 -1.065 1.00 0.00 C ATOM 633 O VAL A 39 5.656 -14.159 -1.949 1.00 0.00 O ATOM 634 CB VAL A 39 6.071 -11.328 -1.323 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.984 -10.838 -2.313 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.712 -10.152 -0.551 1.00 0.00 C ATOM 0 H VAL A 39 7.481 -12.829 0.204 1.00 0.00 H new ATOM 0 HA VAL A 39 4.686 -11.926 0.231 1.00 0.00 H new ATOM 0 HB VAL A 39 6.846 -11.806 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.415 -10.103 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.606 -11.684 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.165 -10.382 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.102 -9.421 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.961 -9.680 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.526 -10.525 0.070 1.00 0.00 H new ATOM 646 N ASN A 40 3.795 -14.093 -0.651 1.00 0.00 N ATOM 647 CA ASN A 40 3.128 -15.252 -1.240 1.00 0.00 C ATOM 648 C ASN A 40 1.805 -14.816 -1.906 1.00 0.00 C ATOM 649 O ASN A 40 0.831 -14.462 -1.221 1.00 0.00 O ATOM 650 CB ASN A 40 2.869 -16.333 -0.147 1.00 0.00 C ATOM 651 CG ASN A 40 4.158 -16.772 0.567 1.00 0.00 C ATOM 652 OD1 ASN A 40 4.858 -17.689 0.123 1.00 0.00 O ATOM 653 ND2 ASN A 40 4.485 -16.120 1.679 1.00 0.00 N ATOM 0 H ASN A 40 3.270 -13.673 0.116 1.00 0.00 H new ATOM 0 HA ASN A 40 3.772 -15.686 -2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.167 -15.940 0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.398 -17.202 -0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.332 -16.373 2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.889 -15.367 2.023 1.00 0.00 H new ATOM 660 N MET A 41 1.816 -14.794 -3.249 1.00 0.00 N ATOM 661 CA MET A 41 0.609 -14.644 -4.074 1.00 0.00 C ATOM 662 C MET A 41 -0.338 -15.814 -3.771 1.00 0.00 C ATOM 663 O MET A 41 0.040 -16.978 -3.977 1.00 0.00 O ATOM 664 CB MET A 41 0.992 -14.647 -5.580 1.00 0.00 C ATOM 665 CG MET A 41 1.802 -13.431 -6.048 1.00 0.00 C ATOM 666 SD MET A 41 0.807 -11.926 -6.155 1.00 0.00 S ATOM 667 CE MET A 41 -0.330 -12.315 -7.491 1.00 0.00 C ATOM 0 H MET A 41 2.672 -14.881 -3.796 1.00 0.00 H new ATOM 0 HA MET A 41 0.117 -13.699 -3.844 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.566 -15.549 -5.791 1.00 0.00 H new ATOM 0 HB3 MET A 41 0.078 -14.705 -6.171 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.631 -13.265 -5.359 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.237 -13.644 -7.025 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.889 -11.420 -7.766 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.232 -12.671 -8.355 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.024 -13.090 -7.164 1.00 0.00 H new ATOM 677 N VAL A 42 -1.535 -15.507 -3.253 1.00 0.00 N ATOM 678 CA VAL A 42 -2.496 -16.535 -2.830 1.00 0.00 C ATOM 679 C VAL A 42 -3.084 -17.262 -4.049 1.00 0.00 C ATOM 680 O VAL A 42 -3.110 -16.721 -5.170 1.00 0.00 O ATOM 681 CB VAL A 42 -3.665 -15.956 -1.936 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.118 -15.113 -0.753 1.00 0.00 C ATOM 683 CG2 VAL A 42 -4.714 -15.167 -2.770 1.00 0.00 C ATOM 0 H VAL A 42 -1.862 -14.551 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.938 -17.241 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.187 -16.813 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.951 -14.732 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.482 -15.737 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.536 -14.277 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.495 -14.790 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.227 -14.330 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.157 -15.827 -3.516 1.00 0.00 H new ATOM 693 N SER A 43 -3.542 -18.490 -3.813 1.00 0.00 N ATOM 694 CA SER A 43 -4.242 -19.288 -4.816 1.00 0.00 C ATOM 695 C SER A 43 -5.739 -18.923 -4.809 1.00 0.00 C ATOM 696 O SER A 43 -6.195 -18.113 -3.981 1.00 0.00 O ATOM 697 CB SER A 43 -4.019 -20.792 -4.517 1.00 0.00 C ATOM 698 OG SER A 43 -4.539 -21.618 -5.547 1.00 0.00 O ATOM 0 H SER A 43 -3.437 -18.962 -2.915 1.00 0.00 H new ATOM 0 HA SER A 43 -3.850 -19.077 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.953 -20.985 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.495 -21.049 -3.571 1.00 0.00 H new ATOM 0 HG SER A 43 -4.378 -22.559 -5.324 1.00 0.00 H new ATOM 704 N SER A 44 -6.490 -19.541 -5.731 1.00 0.00 N ATOM 705 CA SER A 44 -7.939 -19.329 -5.892 1.00 0.00 C ATOM 706 C SER A 44 -8.719 -19.670 -4.601 1.00 0.00 C ATOM 707 O SER A 44 -9.755 -19.065 -4.329 1.00 0.00 O ATOM 708 CB SER A 44 -8.443 -20.194 -7.067 1.00 0.00 C ATOM 709 OG SER A 44 -7.638 -20.004 -8.222 1.00 0.00 O ATOM 0 H SER A 44 -6.105 -20.212 -6.396 1.00 0.00 H new ATOM 0 HA SER A 44 -8.113 -18.273 -6.101 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.431 -21.246 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.478 -19.937 -7.294 1.00 0.00 H new ATOM 0 HG SER A 44 -7.976 -20.564 -8.952 1.00 0.00 H new ATOM 715 N LYS A 45 -8.159 -20.615 -3.807 1.00 0.00 N ATOM 716 CA LYS A 45 -8.758 -21.129 -2.552 1.00 0.00 C ATOM 717 C LYS A 45 -9.225 -20.010 -1.588 1.00 0.00 C ATOM 718 O LYS A 45 -10.318 -20.099 -1.021 1.00 0.00 O ATOM 719 CB LYS A 45 -7.743 -22.059 -1.822 1.00 0.00 C ATOM 720 CG LYS A 45 -6.400 -21.375 -1.438 1.00 0.00 C ATOM 721 CD LYS A 45 -5.518 -22.224 -0.494 1.00 0.00 C ATOM 722 CE LYS A 45 -6.227 -22.571 0.826 1.00 0.00 C ATOM 723 NZ LYS A 45 -5.342 -23.272 1.787 1.00 0.00 N ATOM 0 H LYS A 45 -7.262 -21.049 -4.025 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.649 -21.687 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.211 -22.446 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.530 -22.915 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.840 -21.159 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.613 -20.419 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.232 -23.145 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.598 -21.681 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.600 -21.655 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.094 -23.197 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.871 -23.481 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.006 -24.161 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.527 -22.667 2.014 1.00 0.00 H new ATOM 737 N GLU A 46 -8.396 -18.962 -1.438 1.00 0.00 N ATOM 738 CA GLU A 46 -8.655 -17.850 -0.498 1.00 0.00 C ATOM 739 C GLU A 46 -9.903 -17.052 -0.916 1.00 0.00 C ATOM 740 O GLU A 46 -10.736 -16.672 -0.079 1.00 0.00 O ATOM 741 CB GLU A 46 -7.417 -16.921 -0.420 1.00 0.00 C ATOM 742 CG GLU A 46 -6.156 -17.595 0.157 1.00 0.00 C ATOM 743 CD GLU A 46 -6.339 -18.097 1.601 1.00 0.00 C ATOM 744 OE1 GLU A 46 -6.492 -17.262 2.518 1.00 0.00 O ATOM 745 OE2 GLU A 46 -6.323 -19.321 1.830 1.00 0.00 O ATOM 0 H GLU A 46 -7.528 -18.859 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.843 -18.272 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.192 -16.550 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.665 -16.055 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.878 -18.435 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.329 -16.886 0.128 1.00 0.00 H new ATOM 752 N ALA A 47 -10.011 -16.835 -2.233 1.00 0.00 N ATOM 753 CA ALA A 47 -11.130 -16.109 -2.854 1.00 0.00 C ATOM 754 C ALA A 47 -12.437 -16.916 -2.736 1.00 0.00 C ATOM 755 O ALA A 47 -13.488 -16.365 -2.395 1.00 0.00 O ATOM 756 CB ALA A 47 -10.802 -15.813 -4.325 1.00 0.00 C ATOM 0 H ALA A 47 -9.317 -17.161 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.274 -15.165 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.633 -15.275 -4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.900 -15.203 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.640 -16.750 -4.857 1.00 0.00 H new ATOM 762 N ILE A 48 -12.341 -18.226 -3.033 1.00 0.00 N ATOM 763 CA ILE A 48 -13.481 -19.171 -2.961 1.00 0.00 C ATOM 764 C ILE A 48 -14.054 -19.251 -1.525 1.00 0.00 C ATOM 765 O ILE A 48 -15.275 -19.216 -1.326 1.00 0.00 O ATOM 766 CB ILE A 48 -13.064 -20.613 -3.460 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.538 -20.561 -4.930 1.00 0.00 C ATOM 768 CG2 ILE A 48 -14.235 -21.625 -3.338 1.00 0.00 C ATOM 769 CD1 ILE A 48 -11.964 -21.869 -5.466 1.00 0.00 C ATOM 0 H ILE A 48 -11.469 -18.664 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 48 -14.258 -18.789 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.258 -20.960 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.356 -20.249 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.768 -19.792 -4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.909 -22.603 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.544 -21.700 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.075 -21.283 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.628 -21.725 -6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.121 -22.177 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.733 -22.641 -5.441 1.00 0.00 H new ATOM 781 N SER A 49 -13.151 -19.316 -0.535 1.00 0.00 N ATOM 782 CA SER A 49 -13.515 -19.467 0.889 1.00 0.00 C ATOM 783 C SER A 49 -14.182 -18.199 1.451 1.00 0.00 C ATOM 784 O SER A 49 -15.054 -18.293 2.315 1.00 0.00 O ATOM 785 CB SER A 49 -12.265 -19.833 1.715 1.00 0.00 C ATOM 786 OG SER A 49 -11.684 -21.041 1.241 1.00 0.00 O ATOM 0 H SER A 49 -12.145 -19.266 -0.696 1.00 0.00 H new ATOM 0 HA SER A 49 -14.245 -20.273 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.535 -19.025 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.536 -19.942 2.765 1.00 0.00 H new ATOM 0 HG SER A 49 -11.164 -20.858 0.431 1.00 0.00 H new ATOM 792 N SER A 50 -13.758 -17.022 0.963 1.00 0.00 N ATOM 793 CA SER A 50 -14.342 -15.730 1.379 1.00 0.00 C ATOM 794 C SER A 50 -15.648 -15.432 0.598 1.00 0.00 C ATOM 795 O SER A 50 -16.558 -14.775 1.117 1.00 0.00 O ATOM 796 CB SER A 50 -13.307 -14.597 1.183 1.00 0.00 C ATOM 797 OG SER A 50 -12.886 -14.503 -0.169 1.00 0.00 O ATOM 0 H SER A 50 -13.009 -16.935 0.276 1.00 0.00 H new ATOM 0 HA SER A 50 -14.599 -15.788 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.742 -13.648 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.443 -14.778 1.822 1.00 0.00 H new ATOM 0 HG SER A 50 -13.278 -15.238 -0.685 1.00 0.00 H new ATOM 803 N GLY A 51 -15.720 -15.935 -0.649 1.00 0.00 N ATOM 804 CA GLY A 51 -16.872 -15.721 -1.540 1.00 0.00 C ATOM 805 C GLY A 51 -16.545 -14.757 -2.678 1.00 0.00 C ATOM 806 O GLY A 51 -16.520 -15.152 -3.847 1.00 0.00 O ATOM 0 H GLY A 51 -14.980 -16.501 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.191 -16.677 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.709 -15.329 -0.962 1.00 0.00 H new ATOM 810 N ALA A 52 -16.288 -13.489 -2.322 1.00 0.00 N ATOM 811 CA ALA A 52 -15.932 -12.411 -3.273 1.00 0.00 C ATOM 812 C ALA A 52 -15.205 -11.256 -2.540 1.00 0.00 C ATOM 813 O ALA A 52 -15.042 -10.160 -3.091 1.00 0.00 O ATOM 814 CB ALA A 52 -17.203 -11.908 -4.000 1.00 0.00 C ATOM 0 H ALA A 52 -16.321 -13.174 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.246 -12.808 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.933 -11.115 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.660 -12.733 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.912 -11.521 -3.268 1.00 0.00 H new ATOM 820 N GLU A 53 -14.741 -11.526 -1.303 1.00 0.00 N ATOM 821 CA GLU A 53 -14.070 -10.528 -0.446 1.00 0.00 C ATOM 822 C GLU A 53 -12.566 -10.489 -0.779 1.00 0.00 C ATOM 823 O GLU A 53 -11.995 -9.421 -1.048 1.00 0.00 O ATOM 824 CB GLU A 53 -14.306 -10.875 1.041 1.00 0.00 C ATOM 825 CG GLU A 53 -13.711 -9.872 2.045 1.00 0.00 C ATOM 826 CD GLU A 53 -13.944 -10.308 3.497 1.00 0.00 C ATOM 827 OE1 GLU A 53 -13.100 -11.056 4.041 1.00 0.00 O ATOM 828 OE2 GLU A 53 -14.981 -9.932 4.094 1.00 0.00 O ATOM 0 H GLU A 53 -14.822 -12.446 -0.869 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.487 -9.539 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.379 -10.948 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.883 -11.860 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.641 -9.769 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.157 -8.890 1.885 1.00 0.00 H new ATOM 835 N LEU A 54 -11.926 -11.673 -0.729 1.00 0.00 N ATOM 836 CA LEU A 54 -10.570 -11.878 -1.262 1.00 0.00 C ATOM 837 C LEU A 54 -10.670 -12.171 -2.768 1.00 0.00 C ATOM 838 O LEU A 54 -11.736 -12.566 -3.270 1.00 0.00 O ATOM 839 CB LEU A 54 -9.836 -13.039 -0.521 1.00 0.00 C ATOM 840 CG LEU A 54 -9.488 -12.789 0.984 1.00 0.00 C ATOM 841 CD1 LEU A 54 -8.863 -14.050 1.636 1.00 0.00 C ATOM 842 CD2 LEU A 54 -8.564 -11.553 1.145 1.00 0.00 C ATOM 0 H LEU A 54 -12.336 -12.512 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.983 -10.974 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.457 -13.933 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.911 -13.255 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.419 -12.578 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.633 -13.843 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.569 -14.878 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.947 -14.316 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.338 -11.403 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.637 -11.718 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.067 -10.669 0.752 1.00 0.00 H new ATOM 854 N ALA A 55 -9.554 -11.990 -3.472 1.00 0.00 N ATOM 855 CA ALA A 55 -9.481 -12.119 -4.934 1.00 0.00 C ATOM 856 C ALA A 55 -8.399 -13.125 -5.320 1.00 0.00 C ATOM 857 O ALA A 55 -7.454 -13.364 -4.549 1.00 0.00 O ATOM 858 CB ALA A 55 -9.196 -10.748 -5.569 1.00 0.00 C ATOM 0 H ALA A 55 -8.662 -11.747 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.438 -12.483 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.143 -10.853 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.995 -10.054 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.247 -10.364 -5.195 1.00 0.00 H new ATOM 864 N ILE A 56 -8.549 -13.733 -6.508 1.00 0.00 N ATOM 865 CA ILE A 56 -7.493 -14.568 -7.094 1.00 0.00 C ATOM 866 C ILE A 56 -6.363 -13.632 -7.556 1.00 0.00 C ATOM 867 O ILE A 56 -6.537 -12.870 -8.514 1.00 0.00 O ATOM 868 CB ILE A 56 -8.010 -15.436 -8.304 1.00 0.00 C ATOM 869 CG1 ILE A 56 -9.298 -16.232 -7.907 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.895 -16.389 -8.824 1.00 0.00 C ATOM 871 CD1 ILE A 56 -9.905 -17.057 -9.034 1.00 0.00 C ATOM 0 H ILE A 56 -9.391 -13.661 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.141 -15.273 -6.341 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.273 -14.760 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.057 -16.896 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.047 -15.528 -7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.278 -16.976 -9.659 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.040 -15.801 -9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.585 -17.058 -8.022 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.792 -17.574 -8.669 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.181 -16.399 -9.858 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.176 -17.789 -9.383 1.00 0.00 H new ATOM 883 N GLY A 57 -5.233 -13.660 -6.832 1.00 0.00 N ATOM 884 CA GLY A 57 -4.131 -12.713 -7.058 1.00 0.00 C ATOM 885 C GLY A 57 -3.973 -11.716 -5.912 1.00 0.00 C ATOM 886 O GLY A 57 -3.258 -10.714 -6.051 1.00 0.00 O ATOM 0 H GLY A 57 -5.059 -14.330 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.201 -13.267 -7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.308 -12.170 -7.986 1.00 0.00 H new ATOM 890 N THR A 58 -4.678 -11.970 -4.785 1.00 0.00 N ATOM 891 CA THR A 58 -4.443 -11.248 -3.523 1.00 0.00 C ATOM 892 C THR A 58 -3.026 -11.571 -3.011 1.00 0.00 C ATOM 893 O THR A 58 -2.658 -12.732 -2.854 1.00 0.00 O ATOM 894 CB THR A 58 -5.530 -11.599 -2.447 1.00 0.00 C ATOM 895 OG1 THR A 58 -6.801 -11.084 -2.878 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.205 -11.051 -1.039 1.00 0.00 C ATOM 0 H THR A 58 -5.415 -12.673 -4.729 1.00 0.00 H new ATOM 0 HA THR A 58 -4.521 -10.177 -3.710 1.00 0.00 H new ATOM 0 HB THR A 58 -5.552 -12.685 -2.361 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.295 -10.741 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.999 -11.332 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.259 -11.470 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.127 -9.965 -1.080 1.00 0.00 H new ATOM 904 N VAL A 59 -2.225 -10.530 -2.834 1.00 0.00 N ATOM 905 CA VAL A 59 -0.839 -10.639 -2.393 1.00 0.00 C ATOM 906 C VAL A 59 -0.775 -10.658 -0.853 1.00 0.00 C ATOM 907 O VAL A 59 -1.003 -9.631 -0.211 1.00 0.00 O ATOM 908 CB VAL A 59 -0.006 -9.436 -2.954 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.495 -9.612 -2.649 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.273 -9.240 -4.470 1.00 0.00 C ATOM 0 H VAL A 59 -2.524 -9.568 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.416 -11.569 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.331 -8.527 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.050 -8.763 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.643 -9.666 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.855 -10.531 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.316 -8.400 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.009 -10.144 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.332 -9.038 -4.630 1.00 0.00 H new ATOM 920 N ARG A 60 -0.517 -11.834 -0.266 1.00 0.00 N ATOM 921 CA ARG A 60 -0.298 -11.954 1.183 1.00 0.00 C ATOM 922 C ARG A 60 1.209 -11.798 1.470 1.00 0.00 C ATOM 923 O ARG A 60 2.035 -12.403 0.797 1.00 0.00 O ATOM 924 CB ARG A 60 -0.855 -13.298 1.708 1.00 0.00 C ATOM 925 CG ARG A 60 -0.647 -13.535 3.224 1.00 0.00 C ATOM 926 CD ARG A 60 -1.483 -14.715 3.753 1.00 0.00 C ATOM 927 NE ARG A 60 -2.927 -14.396 3.772 1.00 0.00 N ATOM 928 CZ ARG A 60 -3.916 -15.225 3.410 1.00 0.00 C ATOM 929 NH1 ARG A 60 -3.656 -16.410 2.875 1.00 0.00 N ATOM 930 NH2 ARG A 60 -5.177 -14.852 3.555 1.00 0.00 N ATOM 0 H ARG A 60 -0.455 -12.717 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.836 -11.166 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.922 -13.344 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.382 -14.112 1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.409 -13.725 3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.914 -12.630 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.312 -15.591 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.154 -14.972 4.760 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.194 -13.464 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.690 -16.704 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.422 -17.027 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.396 -13.934 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.930 -15.482 3.280 1.00 0.00 H new ATOM 944 N ILE A 61 1.546 -10.977 2.472 1.00 0.00 N ATOM 945 CA ILE A 61 2.928 -10.528 2.748 1.00 0.00 C ATOM 946 C ILE A 61 3.187 -10.618 4.254 1.00 0.00 C ATOM 947 O ILE A 61 2.516 -9.959 5.030 1.00 0.00 O ATOM 948 CB ILE A 61 3.152 -9.050 2.245 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.865 -8.946 0.712 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.587 -8.545 2.580 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.844 -7.541 0.154 1.00 0.00 C ATOM 0 H ILE A 61 0.862 -10.597 3.126 1.00 0.00 H new ATOM 0 HA ILE A 61 3.626 -11.172 2.212 1.00 0.00 H new ATOM 0 HB ILE A 61 2.449 -8.405 2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.621 -9.521 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.903 -9.416 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.707 -7.523 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.738 -8.569 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.321 -9.189 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.637 -7.577 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.067 -6.962 0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.812 -7.069 0.320 1.00 0.00 H new ATOM 963 N TRP A 62 4.139 -11.451 4.659 1.00 0.00 N ATOM 964 CA TRP A 62 4.460 -11.669 6.081 1.00 0.00 C ATOM 965 C TRP A 62 5.725 -10.914 6.447 1.00 0.00 C ATOM 966 O TRP A 62 6.766 -11.184 5.894 1.00 0.00 O ATOM 967 CB TRP A 62 4.636 -13.178 6.352 1.00 0.00 C ATOM 968 CG TRP A 62 3.384 -13.966 6.105 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.925 -14.426 4.905 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.416 -14.364 7.082 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.752 -15.098 5.084 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.417 -15.074 6.407 1.00 0.00 C ATOM 973 CE3 TRP A 62 2.306 -14.189 8.465 1.00 0.00 C ATOM 974 CZ2 TRP A 62 0.325 -15.619 7.063 1.00 0.00 C ATOM 975 CZ3 TRP A 62 1.213 -14.727 9.118 1.00 0.00 C ATOM 976 CH2 TRP A 62 0.232 -15.434 8.417 1.00 0.00 C ATOM 0 H TRP A 62 4.714 -11.998 4.018 1.00 0.00 H new ATOM 0 HA TRP A 62 3.641 -11.296 6.696 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.434 -13.565 5.718 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.952 -13.322 7.385 1.00 0.00 H new ATOM 0 HD1 TRP A 62 3.417 -14.280 3.955 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.210 -15.548 4.346 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.061 -13.644 9.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.429 -16.172 6.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.116 -14.599 10.186 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.613 -15.841 8.952 1.00 0.00 H new ATOM 987 N ILE A 63 5.626 -9.983 7.385 1.00 0.00 N ATOM 988 CA ILE A 63 6.775 -9.207 7.898 1.00 0.00 C ATOM 989 C ILE A 63 6.812 -9.400 9.412 1.00 0.00 C ATOM 990 O ILE A 63 5.788 -9.733 9.995 1.00 0.00 O ATOM 991 CB ILE A 63 6.646 -7.671 7.567 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.319 -7.081 8.150 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.743 -7.419 6.040 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.173 -5.584 7.984 1.00 0.00 C ATOM 0 H ILE A 63 4.740 -9.733 7.825 1.00 0.00 H new ATOM 0 HA ILE A 63 7.689 -9.561 7.422 1.00 0.00 H new ATOM 0 HB ILE A 63 7.480 -7.156 8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.474 -7.572 7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.264 -7.324 9.211 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.651 -6.351 5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.706 -7.775 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.941 -7.954 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.226 -5.261 8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.995 -5.080 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.193 -5.332 6.924 1.00 0.00 H new ATOM 1006 N ARG A 64 7.983 -9.233 10.045 1.00 0.00 N ATOM 1007 CA ARG A 64 8.067 -9.175 11.528 1.00 0.00 C ATOM 1008 C ARG A 64 7.215 -8.018 12.096 1.00 0.00 C ATOM 1009 O ARG A 64 6.820 -7.110 11.350 1.00 0.00 O ATOM 1010 CB ARG A 64 9.539 -9.074 11.993 1.00 0.00 C ATOM 1011 CG ARG A 64 10.384 -10.304 11.618 1.00 0.00 C ATOM 1012 CD ARG A 64 11.812 -10.266 12.184 1.00 0.00 C ATOM 1013 NE ARG A 64 11.845 -10.425 13.650 1.00 0.00 N ATOM 1014 CZ ARG A 64 12.926 -10.772 14.362 1.00 0.00 C ATOM 1015 NH1 ARG A 64 14.110 -10.952 13.778 1.00 0.00 N ATOM 1016 NH2 ARG A 64 12.821 -10.925 15.670 1.00 0.00 N ATOM 0 H ARG A 64 8.879 -9.136 9.568 1.00 0.00 H new ATOM 0 HA ARG A 64 7.655 -10.104 11.923 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.991 -8.184 11.554 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.562 -8.942 13.075 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.883 -11.202 11.979 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.435 -10.382 10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.403 -11.057 11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.281 -9.320 11.914 1.00 0.00 H new ATOM 0 HE ARG A 64 10.978 -10.258 14.161 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.206 -10.826 12.770 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.920 -11.216 14.339 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.922 -10.779 16.130 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.639 -11.189 16.220 1.00 0.00 H new ATOM 1030 N TYR A 65 6.937 -8.069 13.416 1.00 0.00 N ATOM 1031 CA TYR A 65 5.986 -7.162 14.090 1.00 0.00 C ATOM 1032 C TYR A 65 6.363 -5.684 13.856 1.00 0.00 C ATOM 1033 O TYR A 65 7.287 -5.162 14.484 1.00 0.00 O ATOM 1034 CB TYR A 65 5.912 -7.484 15.609 1.00 0.00 C ATOM 1035 CG TYR A 65 4.746 -6.793 16.347 1.00 0.00 C ATOM 1036 CD1 TYR A 65 3.497 -7.412 16.440 1.00 0.00 C ATOM 1037 CD2 TYR A 65 4.886 -5.534 16.940 1.00 0.00 C ATOM 1038 CE1 TYR A 65 2.437 -6.800 17.082 1.00 0.00 C ATOM 1039 CE2 TYR A 65 3.825 -4.922 17.580 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.605 -5.563 17.654 1.00 0.00 C ATOM 1041 OH TYR A 65 1.547 -4.956 18.289 1.00 0.00 O ATOM 0 H TYR A 65 7.369 -8.744 14.047 1.00 0.00 H new ATOM 0 HA TYR A 65 4.999 -7.322 13.656 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.819 -8.563 15.736 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.850 -7.187 16.078 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.357 -8.389 16.001 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.841 -5.031 16.897 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.478 -7.294 17.134 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.950 -3.944 18.021 1.00 0.00 H new ATOM 0 HH TYR A 65 1.832 -4.087 18.641 1.00 0.00 H new ATOM 1051 N ARG A 66 5.657 -5.041 12.912 1.00 0.00 N ATOM 1052 CA ARG A 66 5.926 -3.656 12.496 1.00 0.00 C ATOM 1053 C ARG A 66 4.677 -2.798 12.786 1.00 0.00 C ATOM 1054 O ARG A 66 3.670 -2.892 12.074 1.00 0.00 O ATOM 1055 CB ARG A 66 6.297 -3.620 10.984 1.00 0.00 C ATOM 1056 CG ARG A 66 6.972 -2.316 10.499 1.00 0.00 C ATOM 1057 CD ARG A 66 8.410 -2.154 11.006 1.00 0.00 C ATOM 1058 NE ARG A 66 9.024 -0.902 10.519 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.304 -0.759 10.146 1.00 0.00 C ATOM 1060 NH1 ARG A 66 11.139 -1.792 10.172 1.00 0.00 N ATOM 1061 NH2 ARG A 66 10.748 0.422 9.753 1.00 0.00 N ATOM 0 H ARG A 66 4.878 -5.471 12.413 1.00 0.00 H new ATOM 0 HA ARG A 66 6.769 -3.251 13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.964 -4.456 10.771 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.390 -3.779 10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.974 -2.300 9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.379 -1.463 10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.414 -2.161 12.096 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.009 -3.004 10.679 1.00 0.00 H new ATOM 0 HE ARG A 66 8.425 -0.078 10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.809 -2.707 10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.110 -1.670 9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.117 1.223 9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.721 0.532 9.469 1.00 0.00 H new ATOM 1075 N LYS A 67 4.768 -1.962 13.829 1.00 0.00 N ATOM 1076 CA LYS A 67 3.620 -1.217 14.411 1.00 0.00 C ATOM 1077 C LYS A 67 3.057 -0.130 13.469 1.00 0.00 C ATOM 1078 O LYS A 67 1.883 0.249 13.570 1.00 0.00 O ATOM 1079 CB LYS A 67 4.069 -0.543 15.734 1.00 0.00 C ATOM 1080 CG LYS A 67 4.691 -1.510 16.766 1.00 0.00 C ATOM 1081 CD LYS A 67 5.168 -0.806 18.063 1.00 0.00 C ATOM 1082 CE LYS A 67 6.205 0.303 17.793 1.00 0.00 C ATOM 1083 NZ LYS A 67 7.401 -0.202 17.067 1.00 0.00 N ATOM 0 H LYS A 67 5.650 -1.775 14.306 1.00 0.00 H new ATOM 0 HA LYS A 67 2.825 -1.944 14.580 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.795 0.237 15.502 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.208 -0.052 16.188 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.957 -2.274 17.025 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.537 -2.023 16.308 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.307 -0.376 18.575 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.601 -1.547 18.735 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.739 1.098 17.211 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.517 0.743 18.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.090 0.569 16.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.834 -0.977 17.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.116 -0.551 16.130 1.00 0.00 H new ATOM 1097 N ASP A 68 3.900 0.346 12.548 1.00 0.00 N ATOM 1098 CA ASP A 68 3.625 1.547 11.728 1.00 0.00 C ATOM 1099 C ASP A 68 2.947 1.199 10.390 1.00 0.00 C ATOM 1100 O ASP A 68 2.364 2.086 9.750 1.00 0.00 O ATOM 1101 CB ASP A 68 4.937 2.340 11.481 1.00 0.00 C ATOM 1102 CG ASP A 68 6.069 1.475 10.902 1.00 0.00 C ATOM 1103 OD1 ASP A 68 6.180 1.357 9.662 1.00 0.00 O ATOM 1104 OD2 ASP A 68 6.841 0.894 11.696 1.00 0.00 O ATOM 0 H ASP A 68 4.800 -0.088 12.343 1.00 0.00 H new ATOM 0 HA ASP A 68 2.927 2.170 12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.732 3.164 10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.270 2.781 12.421 1.00 0.00 H new ATOM 1109 N ILE A 69 3.037 -0.072 9.957 1.00 0.00 N ATOM 1110 CA ILE A 69 2.372 -0.530 8.715 1.00 0.00 C ATOM 1111 C ILE A 69 0.850 -0.487 8.904 1.00 0.00 C ATOM 1112 O ILE A 69 0.333 -0.956 9.921 1.00 0.00 O ATOM 1113 CB ILE A 69 2.803 -1.984 8.288 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.348 -2.065 8.150 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.092 -2.451 6.980 1.00 0.00 C ATOM 1116 CD1 ILE A 69 4.973 -1.105 7.160 1.00 0.00 C ATOM 0 H ILE A 69 3.560 -0.800 10.444 1.00 0.00 H new ATOM 0 HA ILE A 69 2.683 0.146 7.918 1.00 0.00 H new ATOM 0 HB ILE A 69 2.485 -2.669 9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.791 -1.886 9.130 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.615 -3.081 7.860 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.422 -3.459 6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.013 -2.450 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.344 -1.771 6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.053 -1.249 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.569 -1.294 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.748 -0.080 7.455 1.00 0.00 H new ATOM 1128 N ASN A 70 0.159 0.087 7.915 1.00 0.00 N ATOM 1129 CA ASN A 70 -1.301 0.254 7.926 1.00 0.00 C ATOM 1130 C ASN A 70 -1.789 0.322 6.475 1.00 0.00 C ATOM 1131 O ASN A 70 -0.973 0.370 5.558 1.00 0.00 O ATOM 1132 CB ASN A 70 -1.687 1.539 8.725 1.00 0.00 C ATOM 1133 CG ASN A 70 -3.179 1.627 9.060 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -3.948 2.297 8.367 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -3.604 0.922 10.101 1.00 0.00 N ATOM 0 H ASN A 70 0.602 0.454 7.073 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.780 -0.590 8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.113 1.567 9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.401 2.417 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.594 0.924 10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.941 0.378 10.654 1.00 0.00 H new ATOM 1142 N ALA A 71 -3.120 0.342 6.268 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.737 0.470 4.928 1.00 0.00 C ATOM 1144 C ALA A 71 -3.214 1.706 4.155 1.00 0.00 C ATOM 1145 O ALA A 71 -3.187 1.714 2.921 1.00 0.00 O ATOM 1146 CB ALA A 71 -5.265 0.547 5.048 1.00 0.00 C ATOM 0 H ALA A 71 -3.801 0.270 7.024 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.455 -0.419 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.704 0.641 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.639 -0.359 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.540 1.414 5.649 1.00 0.00 H new ATOM 1152 N THR A 72 -2.772 2.727 4.913 1.00 0.00 N ATOM 1153 CA THR A 72 -2.281 4.006 4.376 1.00 0.00 C ATOM 1154 C THR A 72 -0.817 3.938 3.869 1.00 0.00 C ATOM 1155 O THR A 72 -0.208 4.978 3.581 1.00 0.00 O ATOM 1156 CB THR A 72 -2.433 5.121 5.465 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.856 4.669 6.704 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.909 5.497 5.696 1.00 0.00 C ATOM 0 H THR A 72 -2.746 2.684 5.932 1.00 0.00 H new ATOM 0 HA THR A 72 -2.891 4.245 3.505 1.00 0.00 H new ATOM 0 HB THR A 72 -1.911 6.008 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.951 5.369 7.383 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.972 6.273 6.458 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.340 5.866 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.461 4.617 6.028 1.00 0.00 H new ATOM 1166 N SER A 73 -0.251 2.726 3.782 1.00 0.00 N ATOM 1167 CA SER A 73 1.028 2.478 3.089 1.00 0.00 C ATOM 1168 C SER A 73 0.794 1.520 1.904 1.00 0.00 C ATOM 1169 O SER A 73 -0.207 0.800 1.863 1.00 0.00 O ATOM 1170 CB SER A 73 2.084 1.917 4.081 1.00 0.00 C ATOM 1171 OG SER A 73 1.603 0.796 4.804 1.00 0.00 O ATOM 0 H SER A 73 -0.665 1.887 4.189 1.00 0.00 H new ATOM 0 HA SER A 73 1.419 3.417 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.981 1.634 3.531 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.374 2.701 4.781 1.00 0.00 H new ATOM 0 HG SER A 73 0.674 0.954 5.072 1.00 0.00 H new ATOM 1177 N ARG A 74 1.695 1.562 0.915 1.00 0.00 N ATOM 1178 CA ARG A 74 1.732 0.594 -0.200 1.00 0.00 C ATOM 1179 C ARG A 74 3.006 -0.234 -0.067 1.00 0.00 C ATOM 1180 O ARG A 74 3.972 0.206 0.558 1.00 0.00 O ATOM 1181 CB ARG A 74 1.684 1.313 -1.577 1.00 0.00 C ATOM 1182 CG ARG A 74 0.429 2.174 -1.791 1.00 0.00 C ATOM 1183 CD ARG A 74 0.551 3.095 -3.014 1.00 0.00 C ATOM 1184 NE ARG A 74 0.702 2.369 -4.277 1.00 0.00 N ATOM 1185 CZ ARG A 74 0.862 2.956 -5.476 1.00 0.00 C ATOM 1186 NH1 ARG A 74 0.993 4.279 -5.585 1.00 0.00 N ATOM 1187 NH2 ARG A 74 0.902 2.210 -6.561 1.00 0.00 N ATOM 0 H ARG A 74 2.426 2.271 0.861 1.00 0.00 H new ATOM 0 HA ARG A 74 0.856 -0.053 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.567 1.945 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.738 0.565 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.437 1.524 -1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.250 2.778 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.334 3.729 -3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.408 3.755 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 74 0.685 1.350 -4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.973 4.864 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.113 4.706 -6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.812 1.197 -6.487 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.023 2.646 -7.475 1.00 0.00 H new ATOM 1201 N ILE A 75 2.993 -1.449 -0.621 1.00 0.00 N ATOM 1202 CA ILE A 75 4.114 -2.385 -0.529 1.00 0.00 C ATOM 1203 C ILE A 75 4.679 -2.667 -1.938 1.00 0.00 C ATOM 1204 O ILE A 75 4.066 -3.414 -2.703 1.00 0.00 O ATOM 1205 CB ILE A 75 3.654 -3.741 0.138 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.806 -3.517 1.442 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.872 -4.639 0.418 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.533 -2.843 2.592 1.00 0.00 C ATOM 0 H ILE A 75 2.199 -1.812 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 75 4.889 -1.935 0.091 1.00 0.00 H new ATOM 0 HB ILE A 75 2.999 -4.245 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.933 -2.917 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.439 -4.484 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.540 -5.570 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.384 -4.859 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.556 -4.125 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.855 -2.738 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.390 -3.449 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.876 -1.857 2.278 1.00 0.00 H new ATOM 1220 N LYS A 76 5.829 -2.060 -2.291 1.00 0.00 N ATOM 1221 CA LYS A 76 6.531 -2.387 -3.550 1.00 0.00 C ATOM 1222 C LYS A 76 7.584 -3.445 -3.260 1.00 0.00 C ATOM 1223 O LYS A 76 8.591 -3.160 -2.616 1.00 0.00 O ATOM 1224 CB LYS A 76 7.193 -1.162 -4.227 1.00 0.00 C ATOM 1225 CG LYS A 76 7.895 -1.503 -5.568 1.00 0.00 C ATOM 1226 CD LYS A 76 8.506 -0.278 -6.274 1.00 0.00 C ATOM 1227 CE LYS A 76 9.600 0.424 -5.443 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.191 1.577 -6.167 1.00 0.00 N ATOM 0 H LYS A 76 6.290 -1.346 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 76 5.783 -2.754 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.434 -0.401 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.923 -0.729 -3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.682 -2.234 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.174 -1.975 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.930 -0.591 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.714 0.437 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.175 0.767 -4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.385 -0.292 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.922 2.021 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.619 1.247 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.447 2.272 -6.379 1.00 0.00 H new ATOM 1242 N VAL A 77 7.339 -4.658 -3.744 1.00 0.00 N ATOM 1243 CA VAL A 77 8.195 -5.810 -3.473 1.00 0.00 C ATOM 1244 C VAL A 77 9.521 -5.700 -4.267 1.00 0.00 C ATOM 1245 O VAL A 77 9.517 -5.479 -5.479 1.00 0.00 O ATOM 1246 CB VAL A 77 7.420 -7.134 -3.789 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.303 -8.375 -3.597 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.135 -7.224 -2.930 1.00 0.00 C ATOM 0 H VAL A 77 6.538 -4.872 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 77 8.459 -5.827 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 77 7.134 -7.109 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.726 -9.271 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.163 -8.316 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.647 -8.420 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.607 -8.149 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.402 -7.212 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.490 -6.374 -3.150 1.00 0.00 H new ATOM 1258 N SER A 78 10.638 -5.816 -3.531 1.00 0.00 N ATOM 1259 CA SER A 78 11.999 -5.557 -4.039 1.00 0.00 C ATOM 1260 C SER A 78 12.577 -6.728 -4.857 1.00 0.00 C ATOM 1261 O SER A 78 13.430 -6.522 -5.731 1.00 0.00 O ATOM 1262 CB SER A 78 12.910 -5.226 -2.841 1.00 0.00 C ATOM 1263 OG SER A 78 12.335 -4.193 -2.062 1.00 0.00 O ATOM 0 H SER A 78 10.623 -6.097 -2.551 1.00 0.00 H new ATOM 0 HA SER A 78 11.948 -4.715 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.056 -6.116 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.894 -4.919 -3.196 1.00 0.00 H new ATOM 0 HG SER A 78 12.729 -3.333 -2.317 1.00 0.00 H new ATOM 1269 N THR A 79 12.079 -7.939 -4.584 1.00 0.00 N ATOM 1270 CA THR A 79 12.642 -9.180 -5.142 1.00 0.00 C ATOM 1271 C THR A 79 11.550 -10.270 -5.244 1.00 0.00 C ATOM 1272 O THR A 79 10.394 -10.016 -4.933 1.00 0.00 O ATOM 1273 CB THR A 79 13.890 -9.635 -4.297 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.464 -10.846 -4.826 1.00 0.00 O ATOM 1275 CG2 THR A 79 13.558 -9.809 -2.805 1.00 0.00 C ATOM 0 H THR A 79 11.277 -8.090 -3.972 1.00 0.00 H new ATOM 0 HA THR A 79 12.995 -8.999 -6.157 1.00 0.00 H new ATOM 0 HB THR A 79 14.625 -8.834 -4.376 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.238 -11.105 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 79 14.453 -10.123 -2.267 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.204 -8.862 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.781 -10.565 -2.691 1.00 0.00 H new ATOM 1283 N GLY A 80 11.909 -11.450 -5.766 1.00 0.00 N ATOM 1284 CA GLY A 80 10.953 -12.550 -5.935 1.00 0.00 C ATOM 1285 C GLY A 80 10.052 -12.378 -7.160 1.00 0.00 C ATOM 1286 O GLY A 80 10.498 -11.808 -8.171 1.00 0.00 O ATOM 0 H GLY A 80 12.855 -11.667 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.500 -13.489 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.332 -12.625 -5.042 1.00 0.00 H new ATOM 1290 N PRO A 81 8.762 -12.843 -7.106 1.00 0.00 N ATOM 1291 CA PRO A 81 7.847 -12.835 -8.269 1.00 0.00 C ATOM 1292 C PRO A 81 7.285 -11.434 -8.594 1.00 0.00 C ATOM 1293 O PRO A 81 6.859 -11.181 -9.723 1.00 0.00 O ATOM 1294 CB PRO A 81 6.721 -13.799 -7.824 1.00 0.00 C ATOM 1295 CG PRO A 81 6.667 -13.635 -6.335 1.00 0.00 C ATOM 1296 CD PRO A 81 8.101 -13.415 -5.894 1.00 0.00 C ATOM 0 HA PRO A 81 8.351 -13.132 -9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.769 -13.541 -8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.944 -14.829 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.038 -12.790 -6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.242 -14.519 -5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 81 8.159 -12.732 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.572 -14.348 -5.584 1.00 0.00 H new ATOM 1304 N LEU A 82 7.284 -10.538 -7.589 1.00 0.00 N ATOM 1305 CA LEU A 82 6.679 -9.199 -7.711 1.00 0.00 C ATOM 1306 C LEU A 82 7.748 -8.100 -7.589 1.00 0.00 C ATOM 1307 O LEU A 82 7.457 -6.987 -7.141 1.00 0.00 O ATOM 1308 CB LEU A 82 5.575 -9.031 -6.632 1.00 0.00 C ATOM 1309 CG LEU A 82 4.373 -10.022 -6.721 1.00 0.00 C ATOM 1310 CD1 LEU A 82 3.377 -9.757 -5.584 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.681 -9.961 -8.104 1.00 0.00 C ATOM 0 H LEU A 82 7.700 -10.720 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 82 6.225 -9.101 -8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.036 -9.138 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.187 -8.014 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 82 4.762 -11.034 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.544 -10.456 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.877 -9.890 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.002 -8.736 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.849 -10.665 -8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.307 -8.952 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.399 -10.222 -8.882 1.00 0.00 H new ATOM 1323 N ALA A 83 8.968 -8.420 -8.040 1.00 0.00 N ATOM 1324 CA ALA A 83 10.104 -7.486 -8.039 1.00 0.00 C ATOM 1325 C ALA A 83 9.859 -6.321 -9.019 1.00 0.00 C ATOM 1326 O ALA A 83 10.094 -6.451 -10.229 1.00 0.00 O ATOM 1327 CB ALA A 83 11.387 -8.249 -8.384 1.00 0.00 C ATOM 0 H ALA A 83 9.197 -9.339 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 83 10.212 -7.051 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.231 -7.560 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.556 -9.030 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.287 -8.701 -9.371 1.00 0.00 H new ATOM 1333 N GLY A 84 9.331 -5.204 -8.480 1.00 0.00 N ATOM 1334 CA GLY A 84 9.001 -4.005 -9.270 1.00 0.00 C ATOM 1335 C GLY A 84 7.531 -3.611 -9.158 1.00 0.00 C ATOM 1336 O GLY A 84 7.164 -2.475 -9.477 1.00 0.00 O ATOM 0 H GLY A 84 9.122 -5.109 -7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.622 -3.173 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.245 -4.186 -10.317 1.00 0.00 H new ATOM 1340 N ARG A 85 6.683 -4.551 -8.703 1.00 0.00 N ATOM 1341 CA ARG A 85 5.234 -4.325 -8.536 1.00 0.00 C ATOM 1342 C ARG A 85 4.977 -3.549 -7.236 1.00 0.00 C ATOM 1343 O ARG A 85 5.482 -3.945 -6.180 1.00 0.00 O ATOM 1344 CB ARG A 85 4.470 -5.682 -8.519 1.00 0.00 C ATOM 1345 CG ARG A 85 4.709 -6.574 -9.756 1.00 0.00 C ATOM 1346 CD ARG A 85 4.284 -5.912 -11.076 1.00 0.00 C ATOM 1347 NE ARG A 85 4.521 -6.794 -12.241 1.00 0.00 N ATOM 1348 CZ ARG A 85 3.572 -7.315 -13.041 1.00 0.00 C ATOM 1349 NH1 ARG A 85 2.283 -7.105 -12.805 1.00 0.00 N ATOM 1350 NH2 ARG A 85 3.935 -8.047 -14.082 1.00 0.00 N ATOM 0 H ARG A 85 6.982 -5.490 -8.440 1.00 0.00 H new ATOM 0 HA ARG A 85 4.868 -3.738 -9.378 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.762 -6.236 -7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.402 -5.481 -8.434 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.767 -6.831 -9.811 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.160 -7.508 -9.633 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.226 -5.652 -11.027 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.835 -4.981 -11.208 1.00 0.00 H new ATOM 0 HE ARG A 85 5.490 -7.028 -12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.996 -6.540 -12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.579 -7.509 -13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.924 -8.211 -14.270 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.226 -8.448 -14.696 1.00 0.00 H new ATOM 1364 N VAL A 86 4.196 -2.456 -7.314 1.00 0.00 N ATOM 1365 CA VAL A 86 3.872 -1.612 -6.148 1.00 0.00 C ATOM 1366 C VAL A 86 2.444 -1.937 -5.670 1.00 0.00 C ATOM 1367 O VAL A 86 1.458 -1.263 -6.002 1.00 0.00 O ATOM 1368 CB VAL A 86 4.102 -0.072 -6.439 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.301 0.432 -7.668 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.846 0.790 -5.166 1.00 0.00 C ATOM 0 H VAL A 86 3.773 -2.133 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 86 4.560 -1.844 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 86 5.153 0.048 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.497 1.493 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.607 -0.124 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.235 0.281 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.012 1.842 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.818 0.650 -4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.529 0.482 -4.374 1.00 0.00 H new ATOM 1380 N LEU A 87 2.359 -3.038 -4.912 1.00 0.00 N ATOM 1381 CA LEU A 87 1.093 -3.586 -4.405 1.00 0.00 C ATOM 1382 C LEU A 87 0.455 -2.609 -3.405 1.00 0.00 C ATOM 1383 O LEU A 87 1.138 -1.801 -2.778 1.00 0.00 O ATOM 1384 CB LEU A 87 1.285 -4.992 -3.752 1.00 0.00 C ATOM 1385 CG LEU A 87 1.895 -6.128 -4.650 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.234 -6.197 -6.038 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.420 -6.026 -4.765 1.00 0.00 C ATOM 0 H LEU A 87 3.176 -3.580 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 87 0.424 -3.714 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.925 -4.873 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.314 -5.332 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 87 1.672 -7.065 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.691 -6.998 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.168 -6.394 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.374 -5.248 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.792 -6.833 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.688 -5.067 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.866 -6.105 -3.773 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.864 -2.683 -3.294 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.669 -1.772 -2.470 1.00 0.00 C ATOM 1401 C ASN A 88 -2.414 -2.607 -1.430 1.00 0.00 C ATOM 1402 O ASN A 88 -2.932 -3.678 -1.763 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.657 -0.992 -3.372 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.971 -0.135 -4.442 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -1.812 1.066 -4.283 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -1.500 -0.767 -5.510 1.00 0.00 N ATOM 0 H ASN A 88 -1.420 -3.387 -3.779 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.036 -1.045 -1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.326 -1.701 -3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.276 -0.349 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.990 -0.249 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.648 -1.771 -5.615 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.490 -2.110 -0.186 1.00 0.00 N ATOM 1414 CA ILE A 89 -3.040 -2.882 0.945 1.00 0.00 C ATOM 1415 C ILE A 89 -4.578 -2.811 0.903 1.00 0.00 C ATOM 1416 O ILE A 89 -5.176 -1.788 1.247 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.479 -2.359 2.322 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.917 -2.412 2.313 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -3.061 -3.155 3.527 1.00 0.00 C ATOM 1420 CD1 ILE A 89 -0.249 -1.880 3.572 1.00 0.00 C ATOM 0 H ILE A 89 -2.176 -1.173 0.066 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.728 -3.922 0.853 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.797 -1.324 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.604 -3.445 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.554 -1.841 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.648 -2.762 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.146 -3.053 3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.797 -4.208 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.833 -1.959 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.525 -0.836 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.576 -2.464 4.432 1.00 0.00 H new ATOM 1432 N ILE A 90 -5.202 -3.921 0.456 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.665 -4.018 0.236 1.00 0.00 C ATOM 1434 C ILE A 90 -7.434 -4.335 1.535 1.00 0.00 C ATOM 1435 O ILE A 90 -8.607 -4.725 1.494 1.00 0.00 O ATOM 1436 CB ILE A 90 -7.010 -5.100 -0.856 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.442 -6.509 -0.465 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.500 -4.650 -2.242 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.955 -7.669 -1.308 1.00 0.00 C ATOM 0 H ILE A 90 -4.703 -4.783 0.235 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.984 -3.037 -0.117 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.095 -5.195 -0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.355 -6.479 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.684 -6.704 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.747 -5.409 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.974 -3.707 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.419 -4.516 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.505 -8.599 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.039 -7.734 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.689 -7.505 -2.352 1.00 0.00 H new ATOM 1451 N GLY A 91 -6.774 -4.143 2.678 1.00 0.00 N ATOM 1452 CA GLY A 91 -7.398 -4.311 3.975 1.00 0.00 C ATOM 1453 C GLY A 91 -6.599 -3.617 5.053 1.00 0.00 C ATOM 1454 O GLY A 91 -6.049 -2.540 4.820 1.00 0.00 O ATOM 0 H GLY A 91 -5.793 -3.867 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.410 -3.908 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.483 -5.373 4.207 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.521 -4.246 6.225 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.783 -3.727 7.383 1.00 0.00 C ATOM 1460 C GLN A 92 -4.842 -4.838 7.905 1.00 0.00 C ATOM 1461 O GLN A 92 -5.263 -5.999 8.013 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.776 -3.253 8.489 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.710 -4.352 9.032 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.787 -3.851 9.996 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -8.604 -2.862 10.713 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -9.927 -4.530 10.013 1.00 0.00 N ATOM 0 H GLN A 92 -6.974 -5.143 6.402 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.186 -2.863 7.093 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.203 -2.840 9.319 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.385 -2.443 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.195 -4.847 8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.107 -5.105 9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.046 -5.343 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.685 -4.239 10.631 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.551 -4.512 8.217 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.569 -5.503 8.723 1.00 0.00 C ATOM 1477 C PRO A 93 -2.934 -5.988 10.140 1.00 0.00 C ATOM 1478 O PRO A 93 -3.475 -5.214 10.948 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.239 -4.712 8.710 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.655 -3.293 8.891 1.00 0.00 C ATOM 1481 CD PRO A 93 -2.946 -3.154 8.119 1.00 0.00 C ATOM 0 HA PRO A 93 -2.528 -6.412 8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.575 -5.037 9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.701 -4.853 7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.800 -3.057 9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.895 -2.609 8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.594 -2.392 8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.766 -2.867 7.083 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.639 -7.262 10.432 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.047 -7.902 11.696 1.00 0.00 C ATOM 1491 C LEU A 94 -1.967 -8.933 12.122 1.00 0.00 C ATOM 1492 O LEU A 94 -1.679 -9.869 11.366 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.469 -8.555 11.518 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.380 -8.696 12.792 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.888 -9.790 13.755 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -5.539 -7.342 13.523 1.00 0.00 C ATOM 0 H LEU A 94 -2.116 -7.875 9.807 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.126 -7.163 12.494 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.016 -7.969 10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.329 -9.550 11.095 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.362 -9.009 12.436 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.554 -9.843 14.616 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.882 -10.751 13.241 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.879 -9.552 14.091 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.174 -7.474 14.399 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.560 -6.980 13.836 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.995 -6.616 12.850 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.339 -8.766 13.339 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.333 -9.726 13.875 1.00 0.00 C ATOM 1510 C PRO A 95 -0.919 -11.112 14.221 1.00 0.00 C ATOM 1511 O PRO A 95 -2.117 -11.253 14.483 1.00 0.00 O ATOM 1512 CB PRO A 95 0.206 -9.021 15.147 1.00 0.00 C ATOM 1513 CG PRO A 95 -0.884 -8.082 15.553 1.00 0.00 C ATOM 1514 CD PRO A 95 -1.520 -7.611 14.265 1.00 0.00 C ATOM 0 HA PRO A 95 0.434 -9.944 13.132 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.423 -9.741 15.936 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.133 -8.486 14.940 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.614 -8.582 16.190 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.485 -7.242 16.123 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.574 -7.370 14.403 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.035 -6.712 13.884 1.00 0.00 H new ATOM 1522 N ASP A 96 -0.033 -12.115 14.246 1.00 0.00 N ATOM 1523 CA ASP A 96 -0.378 -13.522 14.534 1.00 0.00 C ATOM 1524 C ASP A 96 -0.685 -13.725 16.034 1.00 0.00 C ATOM 1525 O ASP A 96 -0.550 -12.792 16.829 1.00 0.00 O ATOM 1526 CB ASP A 96 0.797 -14.440 14.111 1.00 0.00 C ATOM 1527 CG ASP A 96 2.053 -14.254 14.990 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.641 -13.163 14.973 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.456 -15.189 15.699 1.00 0.00 O ATOM 0 H ASP A 96 0.961 -11.975 14.064 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.272 -13.780 13.966 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.475 -15.480 14.162 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.054 -14.237 13.071 1.00 0.00 H new ATOM 1534 N ALA A 97 -1.018 -14.975 16.407 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.395 -15.350 17.785 1.00 0.00 C ATOM 1536 C ALA A 97 -0.282 -15.046 18.808 1.00 0.00 C ATOM 1537 O ALA A 97 -0.577 -14.722 19.960 1.00 0.00 O ATOM 1538 CB ALA A 97 -1.774 -16.836 17.825 1.00 0.00 C ATOM 0 H ALA A 97 -1.033 -15.760 15.756 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.253 -14.742 18.071 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.052 -17.113 18.842 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.616 -17.015 17.157 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.923 -17.437 17.505 1.00 0.00 H new ATOM 1544 N ALA A 98 0.987 -15.147 18.378 1.00 0.00 N ATOM 1545 CA ALA A 98 2.163 -14.909 19.247 1.00 0.00 C ATOM 1546 C ALA A 98 2.689 -13.459 19.145 1.00 0.00 C ATOM 1547 O ALA A 98 3.551 -13.073 19.944 1.00 0.00 O ATOM 1548 CB ALA A 98 3.286 -15.898 18.898 1.00 0.00 C ATOM 0 H ALA A 98 1.231 -15.396 17.419 1.00 0.00 H new ATOM 0 HA ALA A 98 1.839 -15.065 20.276 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.146 -15.715 19.542 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.932 -16.918 19.047 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.578 -15.764 17.856 1.00 0.00 H new ATOM 1554 N ARG A 99 2.191 -12.686 18.141 1.00 0.00 N ATOM 1555 CA ARG A 99 2.613 -11.273 17.886 1.00 0.00 C ATOM 1556 C ARG A 99 4.082 -11.187 17.386 1.00 0.00 C ATOM 1557 O ARG A 99 4.696 -10.119 17.421 1.00 0.00 O ATOM 1558 CB ARG A 99 2.362 -10.339 19.138 1.00 0.00 C ATOM 1559 CG ARG A 99 1.027 -9.549 19.133 1.00 0.00 C ATOM 1560 CD ARG A 99 -0.217 -10.438 19.020 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.446 -9.632 18.911 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.532 -9.952 18.195 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.620 -11.106 17.549 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.543 -9.109 18.136 1.00 0.00 N ATOM 0 H ARG A 99 1.486 -13.021 17.484 1.00 0.00 H new ATOM 0 HA ARG A 99 1.979 -10.898 17.082 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.396 -10.953 20.038 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.184 -9.626 19.207 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.960 -8.961 20.048 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.036 -8.844 18.301 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.126 -11.085 18.147 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.282 -11.088 19.893 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.472 -8.752 19.427 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.850 -11.774 17.590 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.458 -11.326 17.010 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.495 -8.220 18.633 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.373 -9.346 17.593 1.00 0.00 H new ATOM 1578 N THR A 100 4.611 -12.303 16.865 1.00 0.00 N ATOM 1579 CA THR A 100 5.992 -12.384 16.349 1.00 0.00 C ATOM 1580 C THR A 100 6.137 -11.679 14.978 1.00 0.00 C ATOM 1581 O THR A 100 7.250 -11.315 14.573 1.00 0.00 O ATOM 1582 CB THR A 100 6.433 -13.881 16.214 1.00 0.00 C ATOM 1583 OG1 THR A 100 5.467 -14.605 15.434 1.00 0.00 O ATOM 1584 CG2 THR A 100 6.590 -14.569 17.584 1.00 0.00 C ATOM 0 H THR A 100 4.095 -13.179 16.788 1.00 0.00 H new ATOM 0 HA THR A 100 6.636 -11.872 17.064 1.00 0.00 H new ATOM 0 HB THR A 100 7.405 -13.887 15.721 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.748 -15.540 15.351 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.897 -15.605 17.438 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.346 -14.046 18.169 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.638 -14.544 18.115 1.00 0.00 H new ATOM 1592 N ARG A 101 4.990 -11.449 14.298 1.00 0.00 N ATOM 1593 CA ARG A 101 4.949 -11.021 12.890 1.00 0.00 C ATOM 1594 C ARG A 101 3.518 -10.586 12.490 1.00 0.00 C ATOM 1595 O ARG A 101 2.539 -11.026 13.085 1.00 0.00 O ATOM 1596 CB ARG A 101 5.556 -12.126 11.938 1.00 0.00 C ATOM 1597 CG ARG A 101 5.182 -13.606 12.240 1.00 0.00 C ATOM 1598 CD ARG A 101 3.768 -13.993 11.804 1.00 0.00 C ATOM 1599 NE ARG A 101 3.421 -15.367 12.218 1.00 0.00 N ATOM 1600 CZ ARG A 101 3.395 -16.436 11.417 1.00 0.00 C ATOM 1601 NH1 ARG A 101 3.917 -16.385 10.200 1.00 0.00 N ATOM 1602 NH2 ARG A 101 2.900 -17.579 11.865 1.00 0.00 N ATOM 0 H ARG A 101 4.066 -11.557 14.717 1.00 0.00 H new ATOM 0 HA ARG A 101 5.583 -10.143 12.772 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.246 -11.900 10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.642 -12.039 11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 101 5.897 -14.260 11.740 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.282 -13.784 13.311 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.051 -13.293 12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.686 -13.909 10.720 1.00 0.00 H new ATOM 0 HE ARG A 101 3.181 -15.512 13.199 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.345 -15.522 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.890 -17.209 9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.541 -17.641 12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.878 -18.398 11.258 1.00 0.00 H new ATOM 1616 N LEU A 102 3.420 -9.692 11.494 1.00 0.00 N ATOM 1617 CA LEU A 102 2.141 -9.204 10.942 1.00 0.00 C ATOM 1618 C LEU A 102 1.859 -9.894 9.602 1.00 0.00 C ATOM 1619 O LEU A 102 2.754 -10.009 8.750 1.00 0.00 O ATOM 1620 CB LEU A 102 2.176 -7.645 10.724 1.00 0.00 C ATOM 1621 CG LEU A 102 1.623 -6.756 11.881 1.00 0.00 C ATOM 1622 CD1 LEU A 102 2.476 -6.866 13.145 1.00 0.00 C ATOM 1623 CD2 LEU A 102 1.478 -5.284 11.437 1.00 0.00 C ATOM 0 H LEU A 102 4.236 -9.281 11.041 1.00 0.00 H new ATOM 0 HA LEU A 102 1.352 -9.439 11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.209 -7.352 10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.610 -7.416 9.821 1.00 0.00 H new ATOM 0 HG LEU A 102 0.630 -7.134 12.126 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.055 -6.231 13.924 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.488 -7.901 13.487 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.494 -6.545 12.926 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.091 -4.691 12.265 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.452 -4.897 11.137 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.789 -5.224 10.594 1.00 0.00 H new ATOM 1635 N GLU A 103 0.613 -10.363 9.438 1.00 0.00 N ATOM 1636 CA GLU A 103 0.081 -10.742 8.131 1.00 0.00 C ATOM 1637 C GLU A 103 -0.472 -9.477 7.466 1.00 0.00 C ATOM 1638 O GLU A 103 -1.393 -8.833 7.997 1.00 0.00 O ATOM 1639 CB GLU A 103 -1.053 -11.798 8.236 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.662 -12.198 6.863 1.00 0.00 C ATOM 1641 CD GLU A 103 -2.947 -13.040 6.979 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -4.044 -12.450 7.081 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -2.872 -14.286 6.979 1.00 0.00 O ATOM 0 H GLU A 103 -0.047 -10.488 10.206 1.00 0.00 H new ATOM 0 HA GLU A 103 0.885 -11.190 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.662 -12.691 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.845 -11.406 8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.880 -11.294 6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.920 -12.760 6.296 1.00 0.00 H new ATOM 1650 N ILE A 104 0.133 -9.099 6.342 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.335 -7.995 5.497 1.00 0.00 C ATOM 1652 C ILE A 104 -1.129 -8.611 4.337 1.00 0.00 C ATOM 1653 O ILE A 104 -0.669 -9.585 3.726 1.00 0.00 O ATOM 1654 CB ILE A 104 0.867 -7.139 4.902 1.00 0.00 C ATOM 1655 CG1 ILE A 104 1.988 -6.873 5.966 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.350 -5.811 4.286 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.535 -6.164 7.217 1.00 0.00 C ATOM 0 H ILE A 104 0.973 -9.555 5.985 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.943 -7.322 6.102 1.00 0.00 H new ATOM 0 HB ILE A 104 1.320 -7.730 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.430 -7.828 6.250 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.776 -6.283 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.191 -5.244 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.353 -6.032 3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.151 -5.224 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.384 -6.029 7.887 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.122 -5.190 6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.771 -6.760 7.716 1.00 0.00 H new ATOM 1669 N LEU A 105 -2.324 -8.088 4.056 1.00 0.00 N ATOM 1670 CA LEU A 105 -3.073 -8.459 2.848 1.00 0.00 C ATOM 1671 C LEU A 105 -3.003 -7.281 1.875 1.00 0.00 C ATOM 1672 O LEU A 105 -3.154 -6.117 2.261 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.552 -8.885 3.131 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.540 -7.803 3.694 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -7.012 -8.259 3.561 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -5.212 -7.436 5.158 1.00 0.00 C ATOM 0 H LEU A 105 -2.797 -7.405 4.648 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.612 -9.347 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.972 -9.268 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.530 -9.715 3.837 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.408 -6.906 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.670 -7.487 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.247 -8.428 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.158 -9.184 4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.918 -6.684 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.287 -8.327 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.199 -7.038 5.215 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.775 -7.614 0.619 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.532 -6.658 -0.457 1.00 0.00 C ATOM 1690 C CYS A 106 -3.071 -7.248 -1.756 1.00 0.00 C ATOM 1691 O CYS A 106 -3.549 -8.379 -1.786 1.00 0.00 O ATOM 1692 CB CYS A 106 -1.017 -6.313 -0.590 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.282 -5.583 0.887 1.00 0.00 S ATOM 0 H CYS A 106 -2.752 -8.584 0.305 1.00 0.00 H new ATOM 0 HA CYS A 106 -3.046 -5.724 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.471 -7.223 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.886 -5.623 -1.424 1.00 0.00 H new ATOM 0 HG CYS A 106 0.204 -4.413 0.597 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.055 -6.437 -2.795 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.359 -6.848 -4.173 1.00 0.00 C ATOM 1701 C ARG A 107 -2.839 -5.755 -5.105 1.00 0.00 C ATOM 1702 O ARG A 107 -2.706 -4.590 -4.698 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.890 -7.071 -4.353 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.365 -7.529 -5.751 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.905 -7.606 -5.844 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.376 -7.866 -7.216 1.00 0.00 N ATOM 1707 CZ ARG A 107 -7.512 -6.939 -8.180 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -7.158 -5.671 -7.984 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -7.987 -7.296 -9.357 1.00 0.00 N ATOM 0 H ARG A 107 -2.826 -5.446 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.874 -7.796 -4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.214 -7.813 -3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.401 -6.140 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.991 -6.837 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.939 -8.507 -5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.266 -8.394 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.334 -6.670 -5.487 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.619 -8.828 -7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.773 -5.382 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.272 -4.988 -8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.247 -8.267 -9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.094 -6.601 -10.096 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.531 -6.132 -6.347 1.00 0.00 N ATOM 1724 CA GLU A 108 -2.075 -5.174 -7.352 1.00 0.00 C ATOM 1725 C GLU A 108 -3.272 -4.346 -7.817 1.00 0.00 C ATOM 1726 O GLU A 108 -4.323 -4.912 -8.145 1.00 0.00 O ATOM 1727 CB GLU A 108 -1.395 -5.891 -8.540 1.00 0.00 C ATOM 1728 CG GLU A 108 -0.624 -4.941 -9.472 1.00 0.00 C ATOM 1729 CD GLU A 108 0.202 -5.677 -10.529 1.00 0.00 C ATOM 1730 OE1 GLU A 108 1.150 -6.393 -10.148 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -0.100 -5.570 -11.733 1.00 0.00 O ATOM 0 H GLU A 108 -2.589 -7.094 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.327 -4.515 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.708 -6.645 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.154 -6.418 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.331 -4.277 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.037 -4.313 -8.875 1.00 0.00 H new ATOM 1738 N GLY A 109 -3.114 -3.016 -7.843 1.00 0.00 N ATOM 1739 CA GLY A 109 -4.189 -2.123 -8.276 1.00 0.00 C ATOM 1740 C GLY A 109 -4.143 -1.856 -9.779 1.00 0.00 C ATOM 1741 O GLY A 109 -4.640 -0.816 -10.238 1.00 0.00 O ATOM 0 H GLY A 109 -2.255 -2.539 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.152 -2.562 -8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.114 -1.178 -7.738 1.00 0.00 H new