USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 741 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 82 SER OG : rot 102:sc= 1.08 USER MOD Set 1.2: A 104 THR OG1 : rot -130:sc= 0.99 USER MOD Set 2.1: A 20 GLN : amide:sc= 1.14 K(o=1.2,f=-1.4) USER MOD Set 2.2: A 53 SER OG : rot 170:sc= 0.00969 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= 1.41 (180deg=-0.249) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.0466 K(o=0.047,f=-3.3) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.52! C(o=-3.5!,f=-4.3!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 20:sc= 1.19 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.18) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 139:sc= 0.6 (180deg=-1.17) USER MOD Single : A 52 SER OG : rot -103:sc= 1.21 USER MOD Single : A 55 SER OG : rot 47:sc= 0.00534 USER MOD Single : A 56 TYR OH : rot -33:sc= 1.21 USER MOD Single : A 57 MET CE :methyl -159:sc= -3.26 (180deg=-3.96!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 64 THR OG1 : rot 75:sc= 0.244 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.47) USER MOD Single : A 77 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.26) USER MOD Single : A 83 SER OG : rot -50:sc= -0.292 USER MOD Single : A 85 LYS NZ :NH3+ 138:sc= 1.32 (180deg=0.00411) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.139 USER MOD Single : A 96 HIS : no HD1:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 1.492 -11.000 3.896 1.00 0.00 N ATOM 61 CA LYS A 5 0.036 -10.970 3.776 1.00 0.00 C ATOM 62 C LYS A 5 -0.461 -9.617 4.250 1.00 0.00 C ATOM 63 O LYS A 5 0.290 -8.820 4.800 1.00 0.00 O ATOM 64 CB LYS A 5 -0.615 -12.082 4.620 1.00 0.00 C ATOM 65 CG LYS A 5 -1.214 -13.177 3.739 1.00 0.00 C ATOM 66 CD LYS A 5 -2.014 -14.189 4.554 1.00 0.00 C ATOM 67 CE LYS A 5 -2.521 -15.263 3.596 1.00 0.00 C ATOM 68 NZ LYS A 5 -3.363 -16.259 4.275 1.00 0.00 N ATOM 0 HA LYS A 5 -0.236 -11.135 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.130 -12.517 5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.395 -11.653 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.860 -12.725 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.415 -13.691 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.390 -14.633 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.849 -13.700 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.091 -14.793 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.672 -15.764 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.685 -16.969 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.812 -16.727 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.188 -15.787 4.697 1.00 0.00 H new ATOM 78 N LEU A 6 -1.749 -9.370 4.076 1.00 0.00 N ATOM 79 CA LEU A 6 -2.452 -8.196 4.536 1.00 0.00 C ATOM 80 C LEU A 6 -3.349 -8.607 5.708 1.00 0.00 C ATOM 81 O LEU A 6 -3.565 -9.799 5.931 1.00 0.00 O ATOM 82 CB LEU A 6 -3.217 -7.525 3.389 1.00 0.00 C ATOM 83 CG LEU A 6 -3.285 -8.263 2.041 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.908 -8.334 1.343 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.012 -9.615 2.165 1.00 0.00 C ATOM 0 H LEU A 6 -2.360 -10.021 3.583 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.751 -7.440 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.239 -7.349 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.767 -6.548 3.213 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.903 -7.670 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.007 -8.864 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.542 -7.324 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.203 -8.864 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.039 -10.104 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.482 -10.249 2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.031 -9.450 2.516 1.00 0.00 H new ATOM 96 N ASP A 7 -3.894 -7.633 6.437 1.00 0.00 N ATOM 97 CA ASP A 7 -4.616 -7.856 7.697 1.00 0.00 C ATOM 98 C ASP A 7 -6.049 -7.316 7.634 1.00 0.00 C ATOM 99 O ASP A 7 -6.916 -7.827 8.333 1.00 0.00 O ATOM 100 CB ASP A 7 -3.861 -7.200 8.870 1.00 0.00 C ATOM 101 CG ASP A 7 -3.366 -8.214 9.894 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.440 -8.992 9.605 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.857 -8.191 11.054 1.00 0.00 O ATOM 0 H ASP A 7 -3.847 -6.650 6.167 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.670 -8.933 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.011 -6.639 8.481 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.517 -6.483 9.363 1.00 0.00 H new ATOM 107 N ILE A 8 -6.281 -6.329 6.763 1.00 0.00 N ATOM 108 CA ILE A 8 -7.541 -5.801 6.222 1.00 0.00 C ATOM 109 C ILE A 8 -8.704 -5.649 7.212 1.00 0.00 C ATOM 110 O ILE A 8 -9.433 -6.596 7.529 1.00 0.00 O ATOM 111 CB ILE A 8 -7.973 -6.576 4.966 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.773 -6.860 4.055 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.055 -5.761 4.229 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.148 -7.244 2.628 1.00 0.00 C ATOM 0 H ILE A 8 -5.491 -5.816 6.371 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.297 -4.772 5.958 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.386 -7.542 5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.136 -5.976 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.182 -7.665 4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.371 -6.300 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.912 -5.616 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.648 -4.791 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.242 -7.428 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.758 -8.147 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.712 -6.432 2.169 1.00 0.00 H new ATOM 125 N VAL A 9 -8.970 -4.391 7.552 1.00 0.00 N ATOM 126 CA VAL A 9 -9.958 -3.923 8.519 1.00 0.00 C ATOM 127 C VAL A 9 -10.728 -2.747 7.903 1.00 0.00 C ATOM 128 O VAL A 9 -10.316 -1.597 7.988 1.00 0.00 O ATOM 129 CB VAL A 9 -9.266 -3.608 9.870 1.00 0.00 C ATOM 130 CG1 VAL A 9 -10.280 -3.183 10.941 1.00 0.00 C ATOM 131 CG2 VAL A 9 -8.476 -4.815 10.410 1.00 0.00 C ATOM 0 H VAL A 9 -8.463 -3.615 7.127 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.695 -4.693 8.747 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.579 -2.787 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.757 -2.971 11.873 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.807 -2.289 10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.997 -3.988 11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.008 -4.549 11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.154 -5.655 10.563 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.706 -5.097 9.692 1.00 0.00 H new ATOM 141 N GLU A 10 -11.832 -3.017 7.201 1.00 0.00 N ATOM 142 CA GLU A 10 -12.740 -1.971 6.731 1.00 0.00 C ATOM 143 C GLU A 10 -13.226 -1.185 7.950 1.00 0.00 C ATOM 144 O GLU A 10 -13.900 -1.744 8.816 1.00 0.00 O ATOM 145 CB GLU A 10 -13.913 -2.547 5.916 1.00 0.00 C ATOM 146 CG GLU A 10 -13.499 -2.895 4.468 1.00 0.00 C ATOM 147 CD GLU A 10 -14.661 -2.869 3.459 1.00 0.00 C ATOM 148 OE1 GLU A 10 -15.848 -2.894 3.872 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.375 -2.715 2.247 1.00 0.00 O ATOM 0 H GLU A 10 -12.119 -3.962 6.944 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.210 -1.306 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.292 -3.442 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.729 -1.825 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.733 -2.192 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.046 -3.887 4.459 1.00 0.00 H new ATOM 154 N GLN A 11 -12.825 0.085 8.051 1.00 0.00 N ATOM 155 CA GLN A 11 -13.314 1.018 9.051 1.00 0.00 C ATOM 156 C GLN A 11 -14.684 1.557 8.591 1.00 0.00 C ATOM 157 O GLN A 11 -15.397 0.884 7.846 1.00 0.00 O ATOM 158 CB GLN A 11 -12.290 2.132 9.335 1.00 0.00 C ATOM 159 CG GLN A 11 -12.377 2.538 10.818 1.00 0.00 C ATOM 160 CD GLN A 11 -11.747 3.893 11.140 1.00 0.00 C ATOM 161 OE1 GLN A 11 -10.793 4.319 10.503 1.00 0.00 O ATOM 162 NE2 GLN A 11 -12.256 4.584 12.146 1.00 0.00 N ATOM 0 H GLN A 11 -12.135 0.496 7.422 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.449 0.506 10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.284 1.785 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.487 2.994 8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.425 2.559 11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.890 1.772 11.421 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.051 4.215 12.667 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.853 5.486 12.401 1.00 0.00 H new ATOM 169 N ASP A 12 -15.103 2.742 9.046 1.00 0.00 N ATOM 170 CA ASP A 12 -16.433 3.272 8.740 1.00 0.00 C ATOM 171 C ASP A 12 -16.538 3.760 7.297 1.00 0.00 C ATOM 172 O ASP A 12 -17.520 3.469 6.620 1.00 0.00 O ATOM 173 CB ASP A 12 -16.773 4.428 9.677 1.00 0.00 C ATOM 174 CG ASP A 12 -18.279 4.733 9.677 1.00 0.00 C ATOM 175 OD1 ASP A 12 -19.108 3.817 9.502 1.00 0.00 O ATOM 176 OD2 ASP A 12 -18.629 5.911 9.945 1.00 0.00 O ATOM 0 H ASP A 12 -14.535 3.355 9.631 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.139 2.454 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.451 4.183 10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.221 5.318 9.373 1.00 0.00 H new ATOM 180 N ASP A 13 -15.510 4.477 6.820 1.00 0.00 N ATOM 181 CA ASP A 13 -15.435 4.992 5.446 1.00 0.00 C ATOM 182 C ASP A 13 -14.091 4.649 4.781 1.00 0.00 C ATOM 183 O ASP A 13 -13.982 4.666 3.553 1.00 0.00 O ATOM 184 CB ASP A 13 -15.641 6.517 5.412 1.00 0.00 C ATOM 185 CG ASP A 13 -16.385 7.013 4.163 1.00 0.00 C ATOM 186 OD1 ASP A 13 -15.958 6.769 3.018 1.00 0.00 O ATOM 187 OD2 ASP A 13 -17.402 7.735 4.321 1.00 0.00 O ATOM 0 H ASP A 13 -14.696 4.718 7.386 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.236 4.507 4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.197 6.819 6.299 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.669 7.007 5.463 1.00 0.00 H new ATOM 191 N LYS A 14 -13.058 4.301 5.567 1.00 0.00 N ATOM 192 CA LYS A 14 -11.729 3.961 5.064 1.00 0.00 C ATOM 193 C LYS A 14 -11.505 2.461 5.146 1.00 0.00 C ATOM 194 O LYS A 14 -12.084 1.812 6.016 1.00 0.00 O ATOM 195 CB LYS A 14 -10.642 4.766 5.805 1.00 0.00 C ATOM 196 CG LYS A 14 -10.469 4.455 7.300 1.00 0.00 C ATOM 197 CD LYS A 14 -9.196 5.107 7.863 1.00 0.00 C ATOM 198 CE LYS A 14 -9.375 6.608 8.124 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.080 7.287 8.369 1.00 0.00 N ATOM 0 H LYS A 14 -13.131 4.249 6.583 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.660 4.240 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.688 4.594 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.869 5.827 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.338 4.814 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.422 3.376 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.917 4.610 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.374 4.958 7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.870 7.068 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.028 6.751 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.176 7.936 9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.350 6.577 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.804 7.825 7.523 1.00 0.00 H new ATOM 209 N ALA A 15 -10.696 1.902 4.252 1.00 0.00 N ATOM 210 CA ALA A 15 -10.291 0.501 4.326 1.00 0.00 C ATOM 211 C ALA A 15 -8.904 0.442 4.961 1.00 0.00 C ATOM 212 O ALA A 15 -7.944 0.872 4.319 1.00 0.00 O ATOM 213 CB ALA A 15 -10.337 -0.130 2.932 1.00 0.00 C ATOM 0 H ALA A 15 -10.303 2.405 3.457 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.975 -0.078 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.034 -1.175 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.352 -0.070 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.658 0.405 2.268 1.00 0.00 H new ATOM 219 N ILE A 16 -8.779 -0.006 6.220 1.00 0.00 N ATOM 220 CA ILE A 16 -7.466 -0.157 6.849 1.00 0.00 C ATOM 221 C ILE A 16 -6.860 -1.459 6.319 1.00 0.00 C ATOM 222 O ILE A 16 -6.990 -2.540 6.904 1.00 0.00 O ATOM 223 CB ILE A 16 -7.549 -0.110 8.392 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.196 1.208 8.878 1.00 0.00 C ATOM 225 CG2 ILE A 16 -6.158 -0.344 9.011 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.727 1.096 10.310 1.00 0.00 C ATOM 0 H ILE A 16 -9.566 -0.267 6.814 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.818 0.680 6.590 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.198 -0.917 8.732 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.462 2.012 8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.013 1.478 8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.233 -0.308 10.098 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.783 -1.321 8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.472 0.431 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.172 2.045 10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.481 0.310 10.358 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.906 0.853 10.984 1.00 0.00 H new ATOM 237 N VAL A 17 -6.179 -1.385 5.188 1.00 0.00 N ATOM 238 CA VAL A 17 -5.393 -2.480 4.658 1.00 0.00 C ATOM 239 C VAL A 17 -4.041 -2.424 5.364 1.00 0.00 C ATOM 240 O VAL A 17 -3.029 -1.977 4.837 1.00 0.00 O ATOM 241 CB VAL A 17 -5.334 -2.383 3.125 1.00 0.00 C ATOM 242 CG1 VAL A 17 -4.679 -3.647 2.557 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.738 -2.284 2.508 1.00 0.00 C ATOM 0 H VAL A 17 -6.158 -0.548 4.605 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.830 -3.460 4.851 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.763 -1.487 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.637 -3.578 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.668 -3.743 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.265 -4.520 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.655 -2.217 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.315 -3.169 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.241 -1.395 2.889 1.00 0.00 H new ATOM 253 N ARG A 18 -4.014 -2.923 6.595 1.00 0.00 N ATOM 254 CA ARG A 18 -2.750 -3.255 7.233 1.00 0.00 C ATOM 255 C ARG A 18 -2.012 -4.201 6.288 1.00 0.00 C ATOM 256 O ARG A 18 -2.639 -5.160 5.822 1.00 0.00 O ATOM 257 CB ARG A 18 -2.982 -3.963 8.570 1.00 0.00 C ATOM 258 CG ARG A 18 -3.210 -3.030 9.758 1.00 0.00 C ATOM 259 CD ARG A 18 -4.053 -3.679 10.870 1.00 0.00 C ATOM 260 NE ARG A 18 -4.110 -2.835 12.075 1.00 0.00 N ATOM 261 CZ ARG A 18 -4.773 -3.103 13.212 1.00 0.00 C ATOM 262 NH1 ARG A 18 -5.572 -4.166 13.320 1.00 0.00 N ATOM 263 NH2 ARG A 18 -4.629 -2.293 14.250 1.00 0.00 N ATOM 0 H ARG A 18 -4.842 -3.104 7.163 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.179 -2.348 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.846 -4.621 8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.121 -4.597 8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.246 -2.728 10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.707 -2.124 9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.064 -3.857 10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.631 -4.651 11.126 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.593 -1.956 12.043 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.690 -4.798 12.528 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.064 -4.347 14.195 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.020 -1.477 14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.127 -2.485 15.119 1.00 0.00 H new ATOM 274 N VAL A 19 -0.725 -3.987 6.030 1.00 0.00 N ATOM 275 CA VAL A 19 0.093 -4.907 5.258 1.00 0.00 C ATOM 276 C VAL A 19 1.233 -5.399 6.139 1.00 0.00 C ATOM 277 O VAL A 19 1.744 -4.665 6.990 1.00 0.00 O ATOM 278 CB VAL A 19 0.524 -4.214 3.953 1.00 0.00 C ATOM 279 CG1 VAL A 19 1.825 -4.737 3.332 1.00 0.00 C ATOM 280 CG2 VAL A 19 -0.590 -4.421 2.923 1.00 0.00 C ATOM 0 H VAL A 19 -0.220 -3.163 6.355 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.453 -5.799 4.951 1.00 0.00 H new ATOM 0 HB VAL A 19 0.703 -3.170 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.040 -4.184 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.645 -4.603 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.717 -5.796 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.312 -3.940 1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.736 -5.488 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.516 -3.983 3.296 1.00 0.00 H new ATOM 290 N GLN A 20 1.620 -6.658 5.935 1.00 0.00 N ATOM 291 CA GLN A 20 2.662 -7.316 6.683 1.00 0.00 C ATOM 292 C GLN A 20 3.642 -7.991 5.723 1.00 0.00 C ATOM 293 O GLN A 20 3.222 -8.698 4.808 1.00 0.00 O ATOM 294 CB GLN A 20 2.070 -8.369 7.628 1.00 0.00 C ATOM 295 CG GLN A 20 1.091 -7.790 8.659 1.00 0.00 C ATOM 296 CD GLN A 20 1.256 -8.466 10.018 1.00 0.00 C ATOM 297 OE1 GLN A 20 2.337 -8.492 10.605 1.00 0.00 O ATOM 298 NE2 GLN A 20 0.209 -9.062 10.551 1.00 0.00 N ATOM 0 H GLN A 20 1.199 -7.254 5.223 1.00 0.00 H new ATOM 0 HA GLN A 20 3.185 -6.566 7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.556 -9.127 7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.882 -8.871 8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.258 -6.718 8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.068 -7.921 8.307 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.689 -9.043 10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.297 -9.542 11.447 1.00 0.00 H new ATOM 305 N GLY A 21 4.938 -7.891 6.015 1.00 0.00 N ATOM 306 CA GLY A 21 6.030 -8.488 5.259 1.00 0.00 C ATOM 307 C GLY A 21 6.562 -7.519 4.209 1.00 0.00 C ATOM 308 O GLY A 21 5.811 -6.712 3.669 1.00 0.00 O ATOM 0 H GLY A 21 5.267 -7.365 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.834 -8.772 5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.685 -9.401 4.774 1.00 0.00 H new ATOM 312 N ASP A 22 7.863 -7.609 3.940 1.00 0.00 N ATOM 313 CA ASP A 22 8.614 -6.782 3.000 1.00 0.00 C ATOM 314 C ASP A 22 7.996 -6.776 1.608 1.00 0.00 C ATOM 315 O ASP A 22 7.326 -7.710 1.175 1.00 0.00 O ATOM 316 CB ASP A 22 10.069 -7.253 2.869 1.00 0.00 C ATOM 317 CG ASP A 22 10.904 -6.986 4.110 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.748 -5.908 4.736 1.00 0.00 O ATOM 319 OD2 ASP A 22 11.703 -7.880 4.468 1.00 0.00 O ATOM 0 H ASP A 22 8.455 -8.301 4.399 1.00 0.00 H new ATOM 0 HA ASP A 22 8.582 -5.774 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.079 -8.322 2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.529 -6.754 2.016 1.00 0.00 H new ATOM 323 N ILE A 23 8.289 -5.708 0.882 1.00 0.00 N ATOM 324 CA ILE A 23 7.679 -5.364 -0.383 1.00 0.00 C ATOM 325 C ILE A 23 8.690 -5.576 -1.513 1.00 0.00 C ATOM 326 O ILE A 23 9.381 -4.656 -1.948 1.00 0.00 O ATOM 327 CB ILE A 23 7.026 -3.971 -0.258 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.319 -3.577 -1.559 1.00 0.00 C ATOM 329 CG2 ILE A 23 7.968 -2.839 0.138 1.00 0.00 C ATOM 330 CD1 ILE A 23 4.879 -3.166 -1.290 1.00 0.00 C ATOM 0 H ILE A 23 8.991 -5.030 1.177 1.00 0.00 H new ATOM 0 HA ILE A 23 6.854 -6.022 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 23 6.318 -4.090 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.854 -2.754 -2.034 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.338 -4.414 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.409 -1.905 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.413 -3.058 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.756 -2.743 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.398 -2.891 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.341 -3.999 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.865 -2.313 -0.611 1.00 0.00 H new ATOM 341 N ASP A 24 8.779 -6.815 -1.987 1.00 0.00 N ATOM 342 CA ASP A 24 9.779 -7.261 -2.959 1.00 0.00 C ATOM 343 C ASP A 24 9.192 -8.208 -4.007 1.00 0.00 C ATOM 344 O ASP A 24 7.977 -8.300 -4.150 1.00 0.00 O ATOM 345 CB ASP A 24 10.908 -7.968 -2.239 1.00 0.00 C ATOM 346 CG ASP A 24 10.618 -9.405 -1.817 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.794 -9.613 -0.910 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.181 -10.316 -2.469 1.00 0.00 O ATOM 0 H ASP A 24 8.142 -7.558 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 24 10.144 -6.373 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.785 -7.967 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.167 -7.392 -1.351 1.00 0.00 H new ATOM 352 N ALA A 25 10.024 -8.938 -4.755 1.00 0.00 N ATOM 353 CA ALA A 25 9.614 -9.993 -5.670 1.00 0.00 C ATOM 354 C ALA A 25 8.636 -10.993 -5.040 1.00 0.00 C ATOM 355 O ALA A 25 7.807 -11.545 -5.768 1.00 0.00 O ATOM 356 CB ALA A 25 10.846 -10.726 -6.174 1.00 0.00 C ATOM 0 H ALA A 25 11.035 -8.802 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 25 9.084 -9.516 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.543 -11.517 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.499 -10.025 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.381 -11.162 -5.330 1.00 0.00 H new ATOM 362 N TYR A 26 8.704 -11.256 -3.729 1.00 0.00 N ATOM 363 CA TYR A 26 7.772 -12.165 -3.072 1.00 0.00 C ATOM 364 C TYR A 26 6.357 -11.585 -3.140 1.00 0.00 C ATOM 365 O TYR A 26 5.419 -12.356 -3.348 1.00 0.00 O ATOM 366 CB TYR A 26 8.168 -12.449 -1.612 1.00 0.00 C ATOM 367 CG TYR A 26 9.471 -13.202 -1.339 1.00 0.00 C ATOM 368 CD1 TYR A 26 10.423 -13.483 -2.343 1.00 0.00 C ATOM 369 CD2 TYR A 26 9.740 -13.618 -0.023 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.623 -14.140 -2.030 1.00 0.00 C ATOM 371 CE2 TYR A 26 10.934 -14.288 0.300 1.00 0.00 C ATOM 372 CZ TYR A 26 11.887 -14.543 -0.709 1.00 0.00 C ATOM 373 OH TYR A 26 13.058 -15.168 -0.418 1.00 0.00 O ATOM 0 H TYR A 26 9.400 -10.848 -3.105 1.00 0.00 H new ATOM 0 HA TYR A 26 7.805 -13.118 -3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.224 -11.492 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.357 -13.014 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.226 -13.189 -3.363 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.017 -13.419 0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.347 -14.337 -2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.120 -14.606 1.315 1.00 0.00 H new ATOM 0 HH TYR A 26 13.087 -15.380 0.538 1.00 0.00 H new ATOM 382 N ASN A 27 6.190 -10.255 -3.067 1.00 0.00 N ATOM 383 CA ASN A 27 4.871 -9.613 -3.109 1.00 0.00 C ATOM 384 C ASN A 27 4.540 -9.059 -4.478 1.00 0.00 C ATOM 385 O ASN A 27 3.373 -8.749 -4.708 1.00 0.00 O ATOM 386 CB ASN A 27 4.716 -8.477 -2.097 1.00 0.00 C ATOM 387 CG ASN A 27 4.937 -7.030 -2.556 1.00 0.00 C ATOM 388 OD1 ASN A 27 4.124 -6.170 -2.267 1.00 0.00 O ATOM 389 ND2 ASN A 27 5.974 -6.682 -3.285 1.00 0.00 N ATOM 0 H ASN A 27 6.965 -9.598 -2.977 1.00 0.00 H new ATOM 0 HA ASN A 27 4.179 -10.416 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.709 -8.540 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.409 -8.671 -1.278 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.080 -5.715 -3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.672 -7.379 -3.544 1.00 0.00 H new ATOM 395 N SER A 28 5.541 -8.958 -5.360 1.00 0.00 N ATOM 396 CA SER A 28 5.448 -8.427 -6.708 1.00 0.00 C ATOM 397 C SER A 28 4.221 -8.892 -7.510 1.00 0.00 C ATOM 398 O SER A 28 3.803 -8.201 -8.446 1.00 0.00 O ATOM 399 CB SER A 28 6.775 -8.752 -7.390 1.00 0.00 C ATOM 400 OG SER A 28 6.917 -8.282 -8.715 1.00 0.00 O ATOM 0 H SER A 28 6.487 -9.264 -5.131 1.00 0.00 H new ATOM 0 HA SER A 28 5.283 -7.351 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.583 -8.335 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.905 -9.834 -7.393 1.00 0.00 H new ATOM 0 HG SER A 28 7.797 -8.539 -9.061 1.00 0.00 H new ATOM 405 N SER A 29 3.635 -10.042 -7.178 1.00 0.00 N ATOM 406 CA SER A 29 2.287 -10.397 -7.592 1.00 0.00 C ATOM 407 C SER A 29 1.347 -10.679 -6.422 1.00 0.00 C ATOM 408 O SER A 29 0.143 -10.509 -6.598 1.00 0.00 O ATOM 409 CB SER A 29 2.342 -11.534 -8.607 1.00 0.00 C ATOM 410 OG SER A 29 3.222 -12.574 -8.196 1.00 0.00 O ATOM 0 H SER A 29 4.090 -10.756 -6.609 1.00 0.00 H new ATOM 0 HA SER A 29 1.847 -9.528 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.341 -11.941 -8.750 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.668 -11.144 -9.571 1.00 0.00 H new ATOM 0 HG SER A 29 3.228 -13.284 -8.872 1.00 0.00 H new ATOM 415 N GLU A 30 1.854 -11.103 -5.256 1.00 0.00 N ATOM 416 CA GLU A 30 1.018 -11.569 -4.159 1.00 0.00 C ATOM 417 C GLU A 30 0.148 -10.420 -3.659 1.00 0.00 C ATOM 418 O GLU A 30 -1.064 -10.441 -3.848 1.00 0.00 O ATOM 419 CB GLU A 30 1.886 -12.179 -3.038 1.00 0.00 C ATOM 420 CG GLU A 30 1.111 -13.206 -2.206 1.00 0.00 C ATOM 421 CD GLU A 30 0.801 -14.543 -2.895 1.00 0.00 C ATOM 422 OE1 GLU A 30 0.913 -14.652 -4.132 1.00 0.00 O ATOM 423 OE2 GLU A 30 0.401 -15.495 -2.175 1.00 0.00 O ATOM 0 H GLU A 30 2.854 -11.130 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 30 0.357 -12.361 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.763 -12.655 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.248 -11.384 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.680 -13.412 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.169 -12.754 -1.895 1.00 0.00 H new ATOM 428 N LEU A 31 0.763 -9.377 -3.090 1.00 0.00 N ATOM 429 CA LEU A 31 0.085 -8.191 -2.590 1.00 0.00 C ATOM 430 C LEU A 31 -0.741 -7.571 -3.692 1.00 0.00 C ATOM 431 O LEU A 31 -1.891 -7.195 -3.482 1.00 0.00 O ATOM 432 CB LEU A 31 1.152 -7.226 -2.067 1.00 0.00 C ATOM 433 CG LEU A 31 0.510 -5.942 -1.529 1.00 0.00 C ATOM 434 CD1 LEU A 31 1.374 -5.325 -0.429 1.00 0.00 C ATOM 435 CD2 LEU A 31 0.282 -4.938 -2.650 1.00 0.00 C ATOM 0 H LEU A 31 1.775 -9.341 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.598 -8.441 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.729 -7.708 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.850 -6.981 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.458 -6.204 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.900 -4.415 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.481 -6.035 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.358 -5.084 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.174 -4.036 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.236 -4.685 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.380 -5.373 -3.399 1.00 0.00 H new ATOM 446 N LYS A 32 -0.133 -7.459 -4.867 1.00 0.00 N ATOM 447 CA LYS A 32 -0.746 -6.852 -6.023 1.00 0.00 C ATOM 448 C LYS A 32 -2.119 -7.499 -6.260 1.00 0.00 C ATOM 449 O LYS A 32 -3.099 -6.782 -6.458 1.00 0.00 O ATOM 450 CB LYS A 32 0.226 -7.056 -7.211 1.00 0.00 C ATOM 451 CG LYS A 32 -0.075 -5.960 -8.239 1.00 0.00 C ATOM 452 CD LYS A 32 0.898 -5.911 -9.419 1.00 0.00 C ATOM 453 CE LYS A 32 0.748 -7.126 -10.326 1.00 0.00 C ATOM 454 NZ LYS A 32 1.387 -6.894 -11.634 1.00 0.00 N ATOM 0 H LYS A 32 0.815 -7.795 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.920 -5.784 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.261 -6.994 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.092 -8.044 -7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.084 -6.107 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.063 -4.994 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.724 -5.003 -9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.921 -5.860 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.196 -7.998 -9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.309 -7.349 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.270 -7.737 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.942 -6.076 -12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.400 -6.705 -11.497 1.00 0.00 H new ATOM 464 N GLU A 33 -2.217 -8.832 -6.170 1.00 0.00 N ATOM 465 CA GLU A 33 -3.472 -9.562 -6.294 1.00 0.00 C ATOM 466 C GLU A 33 -4.386 -9.247 -5.121 1.00 0.00 C ATOM 467 O GLU A 33 -5.542 -8.890 -5.343 1.00 0.00 O ATOM 468 CB GLU A 33 -3.227 -11.074 -6.482 1.00 0.00 C ATOM 469 CG GLU A 33 -3.317 -11.396 -7.979 1.00 0.00 C ATOM 470 CD GLU A 33 -2.600 -12.687 -8.396 1.00 0.00 C ATOM 471 OE1 GLU A 33 -3.016 -13.802 -7.993 1.00 0.00 O ATOM 472 OE2 GLU A 33 -1.666 -12.581 -9.228 1.00 0.00 O ATOM 0 H GLU A 33 -1.412 -9.436 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.986 -9.229 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.247 -11.351 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.966 -11.650 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.368 -11.472 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.896 -10.563 -8.543 1.00 0.00 H new ATOM 477 N GLN A 34 -3.867 -9.291 -3.890 1.00 0.00 N ATOM 478 CA GLN A 34 -4.600 -9.015 -2.660 1.00 0.00 C ATOM 479 C GLN A 34 -5.251 -7.636 -2.672 1.00 0.00 C ATOM 480 O GLN A 34 -6.159 -7.403 -1.873 1.00 0.00 O ATOM 481 CB GLN A 34 -3.649 -9.103 -1.449 1.00 0.00 C ATOM 482 CG GLN A 34 -2.926 -10.451 -1.300 1.00 0.00 C ATOM 483 CD GLN A 34 -3.701 -11.505 -0.508 1.00 0.00 C ATOM 484 OE1 GLN A 34 -4.935 -11.538 -0.512 1.00 0.00 O ATOM 485 NE2 GLN A 34 -3.010 -12.355 0.235 1.00 0.00 N ATOM 0 H GLN A 34 -2.890 -9.529 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.388 -9.764 -2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.903 -8.313 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.220 -8.909 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.713 -10.846 -2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.966 -10.282 -0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.991 -12.322 0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.497 -13.043 0.809 1.00 0.00 H new ATOM 492 N LEU A 35 -4.815 -6.713 -3.535 1.00 0.00 N ATOM 493 CA LEU A 35 -5.386 -5.385 -3.629 1.00 0.00 C ATOM 494 C LEU A 35 -6.220 -5.238 -4.863 1.00 0.00 C ATOM 495 O LEU A 35 -7.314 -4.755 -4.686 1.00 0.00 O ATOM 496 CB LEU A 35 -4.346 -4.284 -3.632 1.00 0.00 C ATOM 497 CG LEU A 35 -3.832 -3.943 -2.232 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.580 -3.073 -2.284 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.893 -3.152 -1.441 1.00 0.00 C ATOM 0 H LEU A 35 -4.050 -6.877 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.001 -5.278 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.506 -4.587 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.774 -3.389 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.607 -4.894 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.247 -2.853 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.791 -3.602 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.806 -2.141 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.508 -2.919 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.123 -2.226 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.799 -3.751 -1.348 1.00 0.00 H new ATOM 510 N ARG A 36 -5.818 -5.600 -6.084 1.00 0.00 N ATOM 511 CA ARG A 36 -6.748 -5.438 -7.208 1.00 0.00 C ATOM 512 C ARG A 36 -8.050 -6.202 -6.952 1.00 0.00 C ATOM 513 O ARG A 36 -9.130 -5.744 -7.321 1.00 0.00 O ATOM 514 CB ARG A 36 -6.095 -5.839 -8.531 1.00 0.00 C ATOM 515 CG ARG A 36 -5.689 -7.315 -8.639 1.00 0.00 C ATOM 516 CD ARG A 36 -5.220 -7.627 -10.061 1.00 0.00 C ATOM 517 NE ARG A 36 -5.342 -9.058 -10.383 1.00 0.00 N ATOM 518 CZ ARG A 36 -5.968 -9.580 -11.446 1.00 0.00 C ATOM 519 NH1 ARG A 36 -6.571 -8.830 -12.366 1.00 0.00 N ATOM 520 NH2 ARG A 36 -6.005 -10.891 -11.609 1.00 0.00 N ATOM 0 H ARG A 36 -4.904 -5.988 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.003 -4.381 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.785 -5.608 -9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.208 -5.223 -8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.892 -7.534 -7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.533 -7.953 -8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.807 -7.045 -10.772 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.181 -7.317 -10.176 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.908 -9.715 -9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.568 -7.814 -12.277 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.036 -9.272 -13.159 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.558 -11.503 -10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.481 -11.291 -12.418 1.00 0.00 H new ATOM 531 N ASN A 37 -7.943 -7.333 -6.256 1.00 0.00 N ATOM 532 CA ASN A 37 -9.053 -8.169 -5.867 1.00 0.00 C ATOM 533 C ASN A 37 -9.889 -7.434 -4.833 1.00 0.00 C ATOM 534 O ASN A 37 -11.112 -7.365 -4.960 1.00 0.00 O ATOM 535 CB ASN A 37 -8.505 -9.480 -5.287 1.00 0.00 C ATOM 536 CG ASN A 37 -9.603 -10.406 -4.798 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.523 -10.726 -5.541 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.523 -10.851 -3.557 1.00 0.00 N ATOM 0 H ASN A 37 -7.043 -7.696 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.682 -8.397 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.916 -9.991 -6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.831 -9.254 -4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.240 -11.479 -3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.745 -10.567 -2.962 1.00 0.00 H new ATOM 544 N PHE A 38 -9.228 -6.887 -3.811 1.00 0.00 N ATOM 545 CA PHE A 38 -9.883 -6.215 -2.718 1.00 0.00 C ATOM 546 C PHE A 38 -10.463 -4.879 -3.143 1.00 0.00 C ATOM 547 O PHE A 38 -11.621 -4.655 -2.834 1.00 0.00 O ATOM 548 CB PHE A 38 -8.957 -6.066 -1.519 1.00 0.00 C ATOM 549 CG PHE A 38 -9.533 -5.262 -0.375 1.00 0.00 C ATOM 550 CD1 PHE A 38 -10.572 -5.793 0.413 1.00 0.00 C ATOM 551 CD2 PHE A 38 -9.050 -3.965 -0.126 1.00 0.00 C ATOM 552 CE1 PHE A 38 -11.133 -5.020 1.445 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.609 -3.200 0.905 1.00 0.00 C ATOM 554 CZ PHE A 38 -10.649 -3.726 1.693 1.00 0.00 C ATOM 0 H PHE A 38 -8.211 -6.905 -3.730 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.719 -6.843 -2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.696 -7.059 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.031 -5.594 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.937 -6.792 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.250 -3.560 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.935 -5.421 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.241 -2.203 1.096 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.075 -3.134 2.489 1.00 0.00 H new ATOM 563 N ILE A 39 -9.729 -4.021 -3.861 1.00 0.00 N ATOM 564 CA ILE A 39 -10.271 -2.819 -4.504 1.00 0.00 C ATOM 565 C ILE A 39 -11.603 -3.097 -5.216 1.00 0.00 C ATOM 566 O ILE A 39 -12.496 -2.252 -5.147 1.00 0.00 O ATOM 567 CB ILE A 39 -9.206 -2.215 -5.451 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.365 -1.111 -4.770 1.00 0.00 C ATOM 569 CG2 ILE A 39 -9.741 -1.624 -6.761 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.245 -1.633 -3.882 1.00 0.00 C ATOM 0 H ILE A 39 -8.728 -4.144 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.501 -2.082 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.600 -3.087 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.934 -0.472 -5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.026 -0.485 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.911 -1.229 -7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.250 -2.402 -7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.442 -0.820 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.706 -0.793 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.667 -2.247 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.558 -2.234 -4.478 1.00 0.00 H new ATOM 581 N SER A 40 -11.740 -4.238 -5.901 1.00 0.00 N ATOM 582 CA SER A 40 -12.962 -4.568 -6.616 1.00 0.00 C ATOM 583 C SER A 40 -14.138 -4.710 -5.635 1.00 0.00 C ATOM 584 O SER A 40 -15.219 -4.176 -5.880 1.00 0.00 O ATOM 585 CB SER A 40 -12.714 -5.812 -7.476 1.00 0.00 C ATOM 586 OG SER A 40 -13.493 -5.781 -8.655 1.00 0.00 O ATOM 0 H SER A 40 -11.010 -4.947 -5.971 1.00 0.00 H new ATOM 0 HA SER A 40 -13.245 -3.762 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.657 -5.873 -7.736 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.953 -6.708 -6.902 1.00 0.00 H new ATOM 0 HG SER A 40 -13.315 -6.585 -9.186 1.00 0.00 H new ATOM 591 N THR A 41 -13.920 -5.367 -4.496 1.00 0.00 N ATOM 592 CA THR A 41 -14.894 -5.475 -3.427 1.00 0.00 C ATOM 593 C THR A 41 -15.087 -4.158 -2.667 1.00 0.00 C ATOM 594 O THR A 41 -16.227 -3.801 -2.364 1.00 0.00 O ATOM 595 CB THR A 41 -14.429 -6.603 -2.499 1.00 0.00 C ATOM 596 OG1 THR A 41 -14.715 -7.853 -3.102 1.00 0.00 O ATOM 597 CG2 THR A 41 -15.022 -6.566 -1.083 1.00 0.00 C ATOM 0 H THR A 41 -13.042 -5.846 -4.293 1.00 0.00 H new ATOM 0 HA THR A 41 -15.874 -5.703 -3.847 1.00 0.00 H new ATOM 0 HB THR A 41 -13.357 -6.456 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.417 -8.577 -2.512 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.633 -7.403 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.746 -5.630 -0.598 1.00 0.00 H new ATOM 0 HG23 THR A 41 -16.108 -6.639 -1.141 1.00 0.00 H new ATOM 605 N THR A 42 -14.000 -3.507 -2.243 1.00 0.00 N ATOM 606 CA THR A 42 -14.005 -2.728 -1.012 1.00 0.00 C ATOM 607 C THR A 42 -15.069 -1.632 -1.008 1.00 0.00 C ATOM 608 O THR A 42 -15.168 -0.785 -1.898 1.00 0.00 O ATOM 609 CB THR A 42 -12.606 -2.217 -0.676 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.609 -1.600 0.597 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.084 -1.225 -1.717 1.00 0.00 C ATOM 0 H THR A 42 -13.108 -3.507 -2.737 1.00 0.00 H new ATOM 0 HA THR A 42 -14.295 -3.400 -0.204 1.00 0.00 H new ATOM 0 HB THR A 42 -11.941 -3.081 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.391 -1.901 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.086 -0.891 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.040 -1.710 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.753 -0.366 -1.769 1.00 0.00 H new ATOM 619 N SER A 43 -15.872 -1.667 0.041 1.00 0.00 N ATOM 620 CA SER A 43 -16.961 -0.762 0.307 1.00 0.00 C ATOM 621 C SER A 43 -16.487 0.586 0.848 1.00 0.00 C ATOM 622 O SER A 43 -17.296 1.503 1.000 1.00 0.00 O ATOM 623 CB SER A 43 -17.812 -1.478 1.343 1.00 0.00 C ATOM 624 OG SER A 43 -18.397 -2.638 0.776 1.00 0.00 O ATOM 0 H SER A 43 -15.769 -2.373 0.770 1.00 0.00 H new ATOM 0 HA SER A 43 -17.505 -0.529 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.199 -1.753 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.592 -0.810 1.709 1.00 0.00 H new ATOM 0 HG SER A 43 -18.942 -3.093 1.452 1.00 0.00 H new ATOM 629 N LYS A 44 -15.200 0.731 1.157 1.00 0.00 N ATOM 630 CA LYS A 44 -14.648 1.863 1.880 1.00 0.00 C ATOM 631 C LYS A 44 -13.542 2.421 1.002 1.00 0.00 C ATOM 632 O LYS A 44 -12.535 1.747 0.819 1.00 0.00 O ATOM 633 CB LYS A 44 -14.121 1.370 3.238 1.00 0.00 C ATOM 634 CG LYS A 44 -15.080 0.527 4.084 1.00 0.00 C ATOM 635 CD LYS A 44 -16.421 1.175 4.424 1.00 0.00 C ATOM 636 CE LYS A 44 -17.223 0.291 5.388 1.00 0.00 C ATOM 637 NZ LYS A 44 -17.681 -0.989 4.799 1.00 0.00 N ATOM 0 H LYS A 44 -14.495 0.040 0.901 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.383 2.642 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.219 0.784 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.825 2.240 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.274 -0.406 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.578 0.267 5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.254 2.153 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.993 1.338 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.609 0.077 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.092 0.849 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.228 -1.520 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.280 -0.796 3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.856 -1.551 4.506 1.00 0.00 H new ATOM 647 N LYS A 45 -13.731 3.587 0.382 1.00 0.00 N ATOM 648 CA LYS A 45 -12.874 3.994 -0.734 1.00 0.00 C ATOM 649 C LYS A 45 -11.443 4.265 -0.296 1.00 0.00 C ATOM 650 O LYS A 45 -10.544 4.242 -1.134 1.00 0.00 O ATOM 651 CB LYS A 45 -13.426 5.252 -1.414 1.00 0.00 C ATOM 652 CG LYS A 45 -14.682 4.977 -2.252 1.00 0.00 C ATOM 653 CD LYS A 45 -15.166 6.239 -2.987 1.00 0.00 C ATOM 654 CE LYS A 45 -15.514 7.408 -2.047 1.00 0.00 C ATOM 655 NZ LYS A 45 -16.660 7.105 -1.167 1.00 0.00 N ATOM 0 H LYS A 45 -14.459 4.258 0.628 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.869 3.160 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.659 5.997 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.655 5.681 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.470 4.192 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.477 4.606 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.392 6.562 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.045 5.988 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.645 7.649 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.741 8.293 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.853 7.923 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.499 6.901 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.436 6.277 -0.578 1.00 0.00 H new ATOM 665 N LYS A 46 -11.214 4.616 0.967 1.00 0.00 N ATOM 666 CA LYS A 46 -9.939 5.165 1.399 1.00 0.00 C ATOM 667 C LYS A 46 -8.991 4.037 1.748 1.00 0.00 C ATOM 668 O LYS A 46 -8.996 3.599 2.889 1.00 0.00 O ATOM 669 CB LYS A 46 -10.205 6.198 2.497 1.00 0.00 C ATOM 670 CG LYS A 46 -9.134 7.265 2.691 1.00 0.00 C ATOM 671 CD LYS A 46 -9.648 8.251 3.760 1.00 0.00 C ATOM 672 CE LYS A 46 -8.871 9.566 3.744 1.00 0.00 C ATOM 673 NZ LYS A 46 -9.040 10.309 5.010 1.00 0.00 N ATOM 0 H LYS A 46 -11.904 4.527 1.713 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.423 5.709 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.149 6.696 2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.336 5.669 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.195 6.812 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.937 7.785 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.706 8.452 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.566 7.793 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.813 9.363 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.212 10.181 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.129 10.721 5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.737 11.069 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.373 9.660 5.751 1.00 0.00 H new ATOM 683 N ILE A 47 -8.250 3.509 0.770 1.00 0.00 N ATOM 684 CA ILE A 47 -7.464 2.300 0.976 1.00 0.00 C ATOM 685 C ILE A 47 -6.165 2.740 1.645 1.00 0.00 C ATOM 686 O ILE A 47 -5.297 3.309 0.986 1.00 0.00 O ATOM 687 CB ILE A 47 -7.269 1.520 -0.350 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.529 1.463 -1.244 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.817 0.083 -0.055 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.805 0.979 -0.558 1.00 0.00 C ATOM 0 H ILE A 47 -8.181 3.902 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.972 1.586 1.624 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.509 2.073 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.711 2.459 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.322 0.808 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.683 -0.456 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.873 0.103 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.573 -0.420 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.626 0.978 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.653 -0.032 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.048 1.645 0.270 1.00 0.00 H new ATOM 701 N VAL A 48 -6.075 2.589 2.963 1.00 0.00 N ATOM 702 CA VAL A 48 -4.924 2.998 3.755 1.00 0.00 C ATOM 703 C VAL A 48 -4.048 1.774 3.953 1.00 0.00 C ATOM 704 O VAL A 48 -4.535 0.735 4.394 1.00 0.00 O ATOM 705 CB VAL A 48 -5.377 3.577 5.108 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.163 4.134 5.862 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.430 4.678 4.922 1.00 0.00 C ATOM 0 H VAL A 48 -6.818 2.169 3.521 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.365 3.781 3.243 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.833 2.774 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.486 4.543 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.443 3.334 6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.697 4.921 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.728 5.065 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.010 5.486 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.302 4.266 4.413 1.00 0.00 H new ATOM 717 N LEU A 49 -2.769 1.905 3.621 1.00 0.00 N ATOM 718 CA LEU A 49 -1.804 0.824 3.588 1.00 0.00 C ATOM 719 C LEU A 49 -0.783 1.036 4.685 1.00 0.00 C ATOM 720 O LEU A 49 0.120 1.846 4.535 1.00 0.00 O ATOM 721 CB LEU A 49 -1.157 0.743 2.204 1.00 0.00 C ATOM 722 CG LEU A 49 -1.862 -0.114 1.146 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.978 -1.567 1.612 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.218 0.449 0.729 1.00 0.00 C ATOM 0 H LEU A 49 -2.365 2.804 3.358 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.299 -0.130 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.069 1.757 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.144 0.360 2.327 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.238 -0.087 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.481 -2.156 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.982 -1.974 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.553 -1.608 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.667 -0.202 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.872 0.504 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.085 1.447 0.311 1.00 0.00 H new ATOM 735 N ASP A 50 -0.954 0.345 5.805 1.00 0.00 N ATOM 736 CA ASP A 50 -0.007 0.331 6.921 1.00 0.00 C ATOM 737 C ASP A 50 1.197 -0.503 6.520 1.00 0.00 C ATOM 738 O ASP A 50 1.006 -1.624 6.048 1.00 0.00 O ATOM 739 CB ASP A 50 -0.631 -0.364 8.132 1.00 0.00 C ATOM 740 CG ASP A 50 0.123 -0.073 9.422 1.00 0.00 C ATOM 741 OD1 ASP A 50 1.353 -0.287 9.462 1.00 0.00 O ATOM 742 OD2 ASP A 50 -0.534 0.284 10.421 1.00 0.00 O ATOM 0 H ASP A 50 -1.775 -0.237 5.970 1.00 0.00 H new ATOM 0 HA ASP A 50 0.264 1.359 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.666 -0.041 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.649 -1.440 7.960 1.00 0.00 H new ATOM 746 N LEU A 51 2.413 0.011 6.695 1.00 0.00 N ATOM 747 CA LEU A 51 3.615 -0.654 6.243 1.00 0.00 C ATOM 748 C LEU A 51 4.583 -0.926 7.382 1.00 0.00 C ATOM 749 O LEU A 51 5.728 -1.273 7.130 1.00 0.00 O ATOM 750 CB LEU A 51 4.175 0.087 5.026 1.00 0.00 C ATOM 751 CG LEU A 51 3.155 0.171 3.860 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.682 1.121 2.795 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.824 -1.173 3.198 1.00 0.00 C ATOM 0 H LEU A 51 2.584 0.904 7.157 1.00 0.00 H new ATOM 0 HA LEU A 51 3.389 -1.661 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.468 1.094 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.077 -0.419 4.680 1.00 0.00 H new ATOM 0 HG LEU A 51 2.228 0.530 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.967 1.181 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.822 2.111 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.636 0.752 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.104 -1.016 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.734 -1.611 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.398 -1.849 3.940 1.00 0.00 H new ATOM 764 N SER A 52 4.140 -0.830 8.627 1.00 0.00 N ATOM 765 CA SER A 52 4.870 -1.155 9.850 1.00 0.00 C ATOM 766 C SER A 52 5.651 -2.471 9.769 1.00 0.00 C ATOM 767 O SER A 52 6.728 -2.553 10.350 1.00 0.00 O ATOM 768 CB SER A 52 3.887 -1.242 11.029 1.00 0.00 C ATOM 769 OG SER A 52 2.738 -2.008 10.719 1.00 0.00 O ATOM 0 H SER A 52 3.196 -0.500 8.826 1.00 0.00 H new ATOM 0 HA SER A 52 5.597 -0.355 9.992 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.393 -1.682 11.888 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.582 -0.237 11.319 1.00 0.00 H new ATOM 0 HG SER A 52 1.981 -1.409 10.550 1.00 0.00 H new ATOM 774 N SER A 53 5.135 -3.500 9.091 1.00 0.00 N ATOM 775 CA SER A 53 5.770 -4.808 8.997 1.00 0.00 C ATOM 776 C SER A 53 6.485 -5.016 7.664 1.00 0.00 C ATOM 777 O SER A 53 6.775 -6.140 7.268 1.00 0.00 O ATOM 778 CB SER A 53 4.709 -5.872 9.259 1.00 0.00 C ATOM 779 OG SER A 53 4.676 -6.190 10.630 1.00 0.00 O ATOM 0 H SER A 53 4.251 -3.442 8.586 1.00 0.00 H new ATOM 0 HA SER A 53 6.554 -4.884 9.750 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.732 -5.511 8.937 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.926 -6.766 8.675 1.00 0.00 H new ATOM 0 HG SER A 53 3.893 -6.748 10.818 1.00 0.00 H new ATOM 784 N VAL A 54 6.726 -3.934 6.948 1.00 0.00 N ATOM 785 CA VAL A 54 7.608 -3.848 5.811 1.00 0.00 C ATOM 786 C VAL A 54 8.863 -3.156 6.358 1.00 0.00 C ATOM 787 O VAL A 54 8.741 -2.364 7.295 1.00 0.00 O ATOM 788 CB VAL A 54 6.868 -3.000 4.755 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.553 -3.035 3.400 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.401 -3.434 4.549 1.00 0.00 C ATOM 0 H VAL A 54 6.282 -3.041 7.162 1.00 0.00 H new ATOM 0 HA VAL A 54 7.883 -4.795 5.347 1.00 0.00 H new ATOM 0 HB VAL A 54 6.891 -1.988 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.993 -2.423 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.566 -2.645 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.592 -4.063 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.936 -2.799 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.372 -4.472 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.858 -3.338 5.489 1.00 0.00 H new ATOM 800 N SER A 55 10.048 -3.367 5.786 1.00 0.00 N ATOM 801 CA SER A 55 11.246 -2.626 6.126 1.00 0.00 C ATOM 802 C SER A 55 12.285 -2.639 5.000 1.00 0.00 C ATOM 803 O SER A 55 13.138 -1.746 4.950 1.00 0.00 O ATOM 804 CB SER A 55 11.820 -3.286 7.369 1.00 0.00 C ATOM 805 OG SER A 55 11.652 -2.458 8.506 1.00 0.00 O ATOM 0 H SER A 55 10.197 -4.071 5.063 1.00 0.00 H new ATOM 0 HA SER A 55 10.995 -1.579 6.293 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.328 -4.244 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.880 -3.493 7.219 1.00 0.00 H new ATOM 0 HG SER A 55 10.731 -2.125 8.535 1.00 0.00 H new ATOM 810 N TYR A 56 12.203 -3.592 4.072 1.00 0.00 N ATOM 811 CA TYR A 56 12.921 -3.593 2.811 1.00 0.00 C ATOM 812 C TYR A 56 11.899 -3.416 1.703 1.00 0.00 C ATOM 813 O TYR A 56 10.749 -3.844 1.810 1.00 0.00 O ATOM 814 CB TYR A 56 13.768 -4.878 2.682 1.00 0.00 C ATOM 815 CG TYR A 56 13.866 -5.561 1.310 1.00 0.00 C ATOM 816 CD1 TYR A 56 14.465 -4.938 0.187 1.00 0.00 C ATOM 817 CD2 TYR A 56 13.388 -6.880 1.157 1.00 0.00 C ATOM 818 CE1 TYR A 56 14.573 -5.612 -1.042 1.00 0.00 C ATOM 819 CE2 TYR A 56 13.509 -7.570 -0.059 1.00 0.00 C ATOM 820 CZ TYR A 56 14.087 -6.927 -1.171 1.00 0.00 C ATOM 821 OH TYR A 56 14.195 -7.581 -2.357 1.00 0.00 O ATOM 0 H TYR A 56 11.610 -4.414 4.189 1.00 0.00 H new ATOM 0 HA TYR A 56 13.634 -2.771 2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.781 -4.640 3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.371 -5.608 3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.844 -3.931 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 56 12.918 -7.370 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 56 15.029 -5.120 -1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.161 -8.589 -0.142 1.00 0.00 H new ATOM 0 HH TYR A 56 14.117 -6.939 -3.093 1.00 0.00 H new ATOM 830 N MET A 57 12.345 -2.719 0.665 1.00 0.00 N ATOM 831 CA MET A 57 11.621 -2.450 -0.550 1.00 0.00 C ATOM 832 C MET A 57 12.647 -2.315 -1.662 1.00 0.00 C ATOM 833 O MET A 57 13.802 -1.953 -1.410 1.00 0.00 O ATOM 834 CB MET A 57 10.859 -1.139 -0.371 1.00 0.00 C ATOM 835 CG MET A 57 10.051 -0.697 -1.588 1.00 0.00 C ATOM 836 SD MET A 57 8.931 0.662 -1.205 1.00 0.00 S ATOM 837 CE MET A 57 8.032 0.536 -2.740 1.00 0.00 C ATOM 0 H MET A 57 13.278 -2.307 0.659 1.00 0.00 H new ATOM 0 HA MET A 57 10.913 -3.243 -0.789 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.184 -1.241 0.479 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.571 -0.353 -0.120 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.732 -0.391 -2.382 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.477 -1.542 -1.968 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.522 1.478 -2.942 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.726 0.318 -3.552 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.297 -0.266 -2.666 1.00 0.00 H new ATOM 845 N ASP A 58 12.199 -2.549 -2.884 1.00 0.00 N ATOM 846 CA ASP A 58 12.955 -2.451 -4.116 1.00 0.00 C ATOM 847 C ASP A 58 11.999 -2.082 -5.254 1.00 0.00 C ATOM 848 O ASP A 58 10.864 -1.662 -5.007 1.00 0.00 O ATOM 849 CB ASP A 58 13.687 -3.776 -4.348 1.00 0.00 C ATOM 850 CG ASP A 58 12.807 -5.012 -4.505 1.00 0.00 C ATOM 851 OD1 ASP A 58 11.631 -4.889 -4.903 1.00 0.00 O ATOM 852 OD2 ASP A 58 13.362 -6.122 -4.334 1.00 0.00 O ATOM 0 H ASP A 58 11.233 -2.831 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 58 13.711 -1.668 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.301 -3.676 -5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.367 -3.943 -3.512 1.00 0.00 H new ATOM 856 N SER A 59 12.458 -2.172 -6.503 1.00 0.00 N ATOM 857 CA SER A 59 11.632 -1.849 -7.668 1.00 0.00 C ATOM 858 C SER A 59 10.447 -2.793 -7.856 1.00 0.00 C ATOM 859 O SER A 59 9.467 -2.396 -8.488 1.00 0.00 O ATOM 860 CB SER A 59 12.444 -1.799 -8.972 1.00 0.00 C ATOM 861 OG SER A 59 13.572 -2.659 -9.010 1.00 0.00 O ATOM 0 H SER A 59 13.406 -2.469 -6.735 1.00 0.00 H new ATOM 0 HA SER A 59 11.242 -0.855 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.785 -2.052 -9.803 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.781 -0.775 -9.133 1.00 0.00 H new ATOM 0 HG SER A 59 14.027 -2.564 -9.873 1.00 0.00 H new ATOM 866 N ALA A 60 10.500 -4.012 -7.316 1.00 0.00 N ATOM 867 CA ALA A 60 9.410 -4.954 -7.444 1.00 0.00 C ATOM 868 C ALA A 60 8.356 -4.485 -6.462 1.00 0.00 C ATOM 869 O ALA A 60 7.186 -4.388 -6.811 1.00 0.00 O ATOM 870 CB ALA A 60 9.897 -6.369 -7.140 1.00 0.00 C ATOM 0 H ALA A 60 11.297 -4.363 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 60 9.003 -4.991 -8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.067 -7.069 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.687 -6.640 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.285 -6.409 -6.122 1.00 0.00 H new ATOM 876 N GLY A 61 8.796 -4.083 -5.271 1.00 0.00 N ATOM 877 CA GLY A 61 7.992 -3.360 -4.323 1.00 0.00 C ATOM 878 C GLY A 61 7.274 -2.163 -4.922 1.00 0.00 C ATOM 879 O GLY A 61 6.050 -2.067 -4.884 1.00 0.00 O ATOM 0 H GLY A 61 9.745 -4.262 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.254 -4.038 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.627 -3.020 -3.505 1.00 0.00 H new ATOM 883 N LEU A 62 8.044 -1.223 -5.458 1.00 0.00 N ATOM 884 CA LEU A 62 7.534 0.070 -5.915 1.00 0.00 C ATOM 885 C LEU A 62 6.524 -0.153 -7.031 1.00 0.00 C ATOM 886 O LEU A 62 5.421 0.393 -6.989 1.00 0.00 O ATOM 887 CB LEU A 62 8.684 1.058 -6.236 1.00 0.00 C ATOM 888 CG LEU A 62 9.043 1.318 -7.712 1.00 0.00 C ATOM 889 CD1 LEU A 62 7.986 2.220 -8.352 1.00 0.00 C ATOM 890 CD2 LEU A 62 10.397 2.034 -7.775 1.00 0.00 C ATOM 0 H LEU A 62 9.049 -1.335 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 62 6.990 0.571 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.433 2.017 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.582 0.695 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 62 9.086 0.368 -8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.245 2.400 -9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.012 1.734 -8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.947 3.170 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.661 2.223 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.333 2.981 -7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.161 1.408 -7.315 1.00 0.00 H new ATOM 901 N GLY A 63 6.871 -1.024 -7.975 1.00 0.00 N ATOM 902 CA GLY A 63 6.055 -1.403 -9.112 1.00 0.00 C ATOM 903 C GLY A 63 4.748 -2.083 -8.708 1.00 0.00 C ATOM 904 O GLY A 63 3.840 -2.176 -9.534 1.00 0.00 O ATOM 0 H GLY A 63 7.771 -1.504 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.829 -0.515 -9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.625 -2.075 -9.753 1.00 0.00 H new ATOM 908 N THR A 64 4.622 -2.511 -7.454 1.00 0.00 N ATOM 909 CA THR A 64 3.506 -3.270 -6.914 1.00 0.00 C ATOM 910 C THR A 64 2.598 -2.375 -6.075 1.00 0.00 C ATOM 911 O THR A 64 1.522 -2.791 -5.661 1.00 0.00 O ATOM 912 CB THR A 64 4.113 -4.452 -6.143 1.00 0.00 C ATOM 913 OG1 THR A 64 4.769 -5.222 -7.120 1.00 0.00 O ATOM 914 CG2 THR A 64 3.124 -5.315 -5.379 1.00 0.00 C ATOM 0 H THR A 64 5.338 -2.325 -6.752 1.00 0.00 H new ATOM 0 HA THR A 64 2.854 -3.660 -7.695 1.00 0.00 H new ATOM 0 HB THR A 64 4.766 -4.062 -5.362 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.602 -4.777 -7.382 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.658 -6.119 -4.872 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.602 -4.705 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.401 -5.742 -6.074 1.00 0.00 H new ATOM 922 N LEU A 65 2.983 -1.114 -5.895 1.00 0.00 N ATOM 923 CA LEU A 65 2.190 -0.094 -5.244 1.00 0.00 C ATOM 924 C LEU A 65 1.747 0.931 -6.278 1.00 0.00 C ATOM 925 O LEU A 65 0.603 1.368 -6.275 1.00 0.00 O ATOM 926 CB LEU A 65 3.070 0.607 -4.210 1.00 0.00 C ATOM 927 CG LEU A 65 3.603 -0.258 -3.058 1.00 0.00 C ATOM 928 CD1 LEU A 65 4.586 0.586 -2.241 1.00 0.00 C ATOM 929 CD2 LEU A 65 2.485 -0.769 -2.155 1.00 0.00 C ATOM 0 H LEU A 65 3.889 -0.770 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 65 1.317 -0.542 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.922 1.045 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.500 1.431 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 65 4.096 -1.134 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.978 -0.009 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.409 0.907 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.072 1.462 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.911 -1.375 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.951 0.077 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.793 -1.375 -2.740 1.00 0.00 H new ATOM 940 N VAL A 66 2.642 1.335 -7.181 1.00 0.00 N ATOM 941 CA VAL A 66 2.399 2.374 -8.186 1.00 0.00 C ATOM 942 C VAL A 66 1.293 1.941 -9.163 1.00 0.00 C ATOM 943 O VAL A 66 0.532 2.747 -9.694 1.00 0.00 O ATOM 944 CB VAL A 66 3.754 2.700 -8.847 1.00 0.00 C ATOM 945 CG1 VAL A 66 4.207 1.562 -9.733 1.00 0.00 C ATOM 946 CG2 VAL A 66 3.784 4.028 -9.609 1.00 0.00 C ATOM 0 H VAL A 66 3.580 0.939 -7.236 1.00 0.00 H new ATOM 0 HA VAL A 66 2.016 3.292 -7.740 1.00 0.00 H new ATOM 0 HB VAL A 66 4.457 2.822 -8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.165 1.814 -10.188 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.317 0.657 -9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.467 1.393 -10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.773 4.177 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.040 4.008 -10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.560 4.846 -8.924 1.00 0.00 H new ATOM 956 N VAL A 67 1.170 0.632 -9.366 1.00 0.00 N ATOM 957 CA VAL A 67 0.086 -0.017 -10.073 1.00 0.00 C ATOM 958 C VAL A 67 -1.265 0.228 -9.380 1.00 0.00 C ATOM 959 O VAL A 67 -2.268 0.484 -10.049 1.00 0.00 O ATOM 960 CB VAL A 67 0.479 -1.494 -10.219 1.00 0.00 C ATOM 961 CG1 VAL A 67 0.499 -2.214 -8.881 1.00 0.00 C ATOM 962 CG2 VAL A 67 -0.426 -2.216 -11.201 1.00 0.00 C ATOM 0 H VAL A 67 1.863 -0.033 -9.021 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.063 0.401 -11.069 1.00 0.00 H new ATOM 0 HB VAL A 67 1.494 -1.509 -10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.782 -3.256 -9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.221 -1.734 -8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.492 -2.169 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.119 -3.259 -11.280 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.457 -2.167 -10.850 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.353 -1.742 -12.180 1.00 0.00 H new ATOM 972 N ILE A 68 -1.293 0.179 -8.045 1.00 0.00 N ATOM 973 CA ILE A 68 -2.522 0.084 -7.271 1.00 0.00 C ATOM 974 C ILE A 68 -3.293 1.400 -7.347 1.00 0.00 C ATOM 975 O ILE A 68 -4.516 1.355 -7.358 1.00 0.00 O ATOM 976 CB ILE A 68 -2.221 -0.352 -5.817 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.576 -1.760 -5.721 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.485 -0.299 -4.937 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.422 -2.920 -6.234 1.00 0.00 C ATOM 0 H ILE A 68 -0.451 0.205 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.161 -0.688 -7.699 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.492 0.367 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.638 -1.747 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.326 -1.953 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.236 -0.612 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.872 0.720 -4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.242 -0.967 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.870 -3.853 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.350 -2.973 -5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.652 -2.764 -7.288 1.00 0.00 H new ATOM 990 N LEU A 69 -2.640 2.567 -7.453 1.00 0.00 N ATOM 991 CA LEU A 69 -3.366 3.829 -7.632 1.00 0.00 C ATOM 992 C LEU A 69 -4.244 3.771 -8.879 1.00 0.00 C ATOM 993 O LEU A 69 -5.378 4.256 -8.832 1.00 0.00 O ATOM 994 CB LEU A 69 -2.391 5.012 -7.688 1.00 0.00 C ATOM 995 CG LEU A 69 -3.004 6.366 -8.103 1.00 0.00 C ATOM 996 CD1 LEU A 69 -2.319 7.510 -7.349 1.00 0.00 C ATOM 997 CD2 LEU A 69 -2.838 6.621 -9.606 1.00 0.00 C ATOM 0 H LEU A 69 -1.625 2.661 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.019 3.978 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.932 5.128 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.591 4.767 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.066 6.326 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.760 8.460 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.454 7.371 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.254 7.514 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.281 7.583 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.778 6.631 -9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.337 5.830 -10.166 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.738 3.174 -9.970 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.511 3.007 -11.193 1.00 0.00 C ATOM 1010 C LYS A 70 -5.646 2.066 -10.864 1.00 0.00 C ATOM 1011 O LYS A 70 -6.777 2.503 -10.839 1.00 0.00 O ATOM 1012 CB LYS A 70 -3.699 2.489 -12.392 1.00 0.00 C ATOM 1013 CG LYS A 70 -2.306 3.106 -12.525 1.00 0.00 C ATOM 1014 CD LYS A 70 -1.717 2.821 -13.920 1.00 0.00 C ATOM 1015 CE LYS A 70 -0.431 2.003 -13.818 1.00 0.00 C ATOM 1016 NZ LYS A 70 0.061 1.586 -15.146 1.00 0.00 N ATOM 0 H LYS A 70 -2.791 2.800 -10.021 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.867 3.986 -11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.597 1.407 -12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.259 2.685 -13.306 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.362 4.182 -12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.648 2.700 -11.757 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.447 2.282 -14.523 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.513 3.762 -14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.336 2.592 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.609 1.121 -13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.935 1.033 -15.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.660 1.002 -15.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.255 2.428 -15.724 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.357 0.800 -10.589 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.292 -0.275 -10.267 1.00 0.00 C ATOM 1028 C ASP A 71 -7.411 0.174 -9.309 1.00 0.00 C ATOM 1029 O ASP A 71 -8.578 -0.144 -9.550 1.00 0.00 O ATOM 1030 CB ASP A 71 -5.496 -1.491 -9.758 1.00 0.00 C ATOM 1031 CG ASP A 71 -4.790 -2.298 -10.875 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -4.127 -1.719 -11.765 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.833 -3.553 -10.830 1.00 0.00 O ATOM 0 H ASP A 71 -4.391 0.472 -10.585 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.824 -0.569 -11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.747 -1.148 -9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.172 -2.154 -9.218 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.089 0.966 -8.278 1.00 0.00 N ATOM 1038 CA ALA A 72 -7.997 1.672 -7.392 1.00 0.00 C ATOM 1039 C ALA A 72 -8.861 2.662 -8.164 1.00 0.00 C ATOM 1040 O ALA A 72 -10.074 2.493 -8.158 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.207 2.362 -6.271 1.00 0.00 C ATOM 0 H ALA A 72 -6.114 1.136 -8.031 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.673 0.949 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.896 2.889 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.658 1.614 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.505 3.074 -6.706 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.293 3.672 -8.834 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.034 4.625 -9.667 1.00 0.00 C ATOM 1049 C LYS A 73 -9.894 3.909 -10.716 1.00 0.00 C ATOM 1050 O LYS A 73 -11.015 4.338 -10.974 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.040 5.635 -10.287 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.685 6.593 -11.307 1.00 0.00 C ATOM 1053 CD LYS A 73 -8.471 6.154 -12.769 1.00 0.00 C ATOM 1054 CE LYS A 73 -9.626 6.520 -13.715 1.00 0.00 C ATOM 1055 NZ LYS A 73 -9.907 7.968 -13.784 1.00 0.00 N ATOM 0 H LYS A 73 -7.289 3.852 -8.812 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.738 5.181 -9.047 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.586 6.221 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.236 5.086 -10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.754 6.660 -11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.271 7.592 -11.170 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.553 6.609 -13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.325 5.074 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.392 6.157 -14.716 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.527 6.000 -13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.696 8.138 -14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.162 8.318 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.061 8.470 -14.123 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.426 2.806 -11.294 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.140 1.974 -12.255 1.00 0.00 C ATOM 1067 C ILE A 74 -11.422 1.426 -11.607 1.00 0.00 C ATOM 1068 O ILE A 74 -12.414 1.261 -12.311 1.00 0.00 O ATOM 1069 CB ILE A 74 -9.188 0.867 -12.790 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -7.989 1.458 -13.577 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -9.907 -0.126 -13.713 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -6.883 0.470 -13.967 1.00 0.00 C ATOM 0 H ILE A 74 -8.491 2.451 -11.094 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.455 2.558 -13.120 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.830 0.349 -11.901 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.371 1.921 -14.487 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.544 2.252 -12.978 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.199 -0.879 -14.060 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.715 -0.612 -13.166 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.319 0.407 -14.570 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.100 0.997 -14.512 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.461 0.023 -13.067 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.301 -0.313 -14.600 1.00 0.00 H new ATOM 1083 N ASN A 75 -11.433 1.174 -10.291 1.00 0.00 N ATOM 1084 CA ASN A 75 -12.642 0.811 -9.540 1.00 0.00 C ATOM 1085 C ASN A 75 -13.248 1.974 -8.744 1.00 0.00 C ATOM 1086 O ASN A 75 -14.165 1.780 -7.948 1.00 0.00 O ATOM 1087 CB ASN A 75 -12.370 -0.395 -8.632 1.00 0.00 C ATOM 1088 CG ASN A 75 -13.480 -1.431 -8.741 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -14.441 -1.451 -7.973 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -13.349 -2.319 -9.708 1.00 0.00 N ATOM 0 H ASN A 75 -10.594 1.217 -9.712 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.392 0.540 -10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.417 -0.850 -8.903 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.281 -0.062 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.055 -3.045 -9.833 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.542 -2.279 -10.331 1.00 0.00 H new ATOM 1096 N GLY A 76 -12.724 3.185 -8.918 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.193 4.391 -8.261 1.00 0.00 C ATOM 1098 C GLY A 76 -12.867 4.414 -6.772 1.00 0.00 C ATOM 1099 O GLY A 76 -13.725 4.806 -5.980 1.00 0.00 O ATOM 0 H GLY A 76 -11.935 3.354 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.743 5.260 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.271 4.477 -8.394 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.672 3.957 -6.383 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.190 3.931 -4.996 1.00 0.00 C ATOM 1105 C LYS A 77 -9.936 4.805 -4.863 1.00 0.00 C ATOM 1106 O LYS A 77 -9.328 5.182 -5.875 1.00 0.00 O ATOM 1107 CB LYS A 77 -10.898 2.486 -4.552 1.00 0.00 C ATOM 1108 CG LYS A 77 -11.940 1.444 -4.982 1.00 0.00 C ATOM 1109 CD LYS A 77 -13.319 1.583 -4.330 1.00 0.00 C ATOM 1110 CE LYS A 77 -14.232 0.537 -4.976 1.00 0.00 C ATOM 1111 NZ LYS A 77 -15.547 0.415 -4.327 1.00 0.00 N ATOM 0 H LYS A 77 -10.992 3.583 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.966 4.333 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.927 2.190 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.816 2.467 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.061 1.502 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.550 0.451 -4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.254 1.424 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.717 2.587 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.377 0.794 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.733 -0.432 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.122 -0.285 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.421 0.108 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.029 1.336 -4.343 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.532 5.105 -3.629 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.329 5.851 -3.288 1.00 0.00 C ATOM 1123 C GLU A 78 -7.177 4.912 -2.908 1.00 0.00 C ATOM 1124 O GLU A 78 -7.295 3.698 -3.057 1.00 0.00 O ATOM 1125 CB GLU A 78 -8.663 6.806 -2.128 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.133 8.209 -2.404 1.00 0.00 C ATOM 1127 CD GLU A 78 -8.980 8.917 -3.461 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -8.718 8.708 -4.671 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -9.952 9.594 -3.058 1.00 0.00 O ATOM 0 H GLU A 78 -10.061 4.820 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.998 6.421 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.743 6.843 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.230 6.425 -1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.135 8.790 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.098 8.151 -2.741 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.052 5.459 -2.426 1.00 0.00 N ATOM 1135 CA PHE A 79 -4.863 4.713 -2.032 1.00 0.00 C ATOM 1136 C PHE A 79 -3.912 5.641 -1.257 1.00 0.00 C ATOM 1137 O PHE A 79 -3.461 6.641 -1.814 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.241 4.165 -3.325 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.749 3.934 -3.280 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.222 2.851 -2.555 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -1.884 4.866 -3.885 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -0.836 2.746 -2.374 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.498 4.757 -3.704 1.00 0.00 C ATOM 1144 CZ PHE A 79 0.019 3.726 -2.905 1.00 0.00 C ATOM 0 H PHE A 79 -5.948 6.466 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.091 3.882 -1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.730 3.223 -3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.460 4.860 -4.136 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.882 2.104 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.288 5.665 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.425 1.911 -1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.168 5.463 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.078 3.686 -2.697 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.603 5.343 0.009 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.741 6.118 0.921 1.00 0.00 C ATOM 1155 C ILE A 80 -1.814 5.114 1.618 1.00 0.00 C ATOM 1156 O ILE A 80 -2.230 3.969 1.795 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.596 6.911 1.943 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.645 7.805 1.239 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.688 7.746 2.874 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.665 8.415 2.202 1.00 0.00 C ATOM 0 H ILE A 80 -3.969 4.503 0.457 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.154 6.856 0.374 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.144 6.191 2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.131 8.607 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.172 7.214 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.304 8.296 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.014 7.082 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.105 8.449 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.371 9.030 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.204 7.618 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.148 9.033 2.936 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.613 5.511 2.052 1.00 0.00 N ATOM 1172 CA LEU A 81 0.308 4.653 2.795 1.00 0.00 C ATOM 1173 C LEU A 81 0.527 5.266 4.171 1.00 0.00 C ATOM 1174 O LEU A 81 0.746 6.471 4.256 1.00 0.00 O ATOM 1175 CB LEU A 81 1.676 4.624 2.094 1.00 0.00 C ATOM 1176 CG LEU A 81 1.697 4.177 0.625 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.147 4.202 0.133 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.100 2.783 0.435 1.00 0.00 C ATOM 0 H LEU A 81 -0.251 6.451 1.893 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.110 3.648 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.107 5.624 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.332 3.962 2.659 1.00 0.00 H new ATOM 0 HG LEU A 81 1.081 4.864 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.183 3.887 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.544 5.214 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.748 3.523 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.137 2.512 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.672 2.060 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.064 2.782 0.773 1.00 0.00 H new ATOM 1189 N SER A 82 0.578 4.455 5.225 1.00 0.00 N ATOM 1190 CA SER A 82 0.933 4.894 6.564 1.00 0.00 C ATOM 1191 C SER A 82 1.946 3.951 7.215 1.00 0.00 C ATOM 1192 O SER A 82 2.284 2.894 6.677 1.00 0.00 O ATOM 1193 CB SER A 82 -0.349 5.086 7.391 1.00 0.00 C ATOM 1194 OG SER A 82 -0.380 6.388 7.904 1.00 0.00 O ATOM 0 H SER A 82 0.370 3.458 5.167 1.00 0.00 H new ATOM 0 HA SER A 82 1.438 5.859 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.226 4.907 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.382 4.362 8.205 1.00 0.00 H new ATOM 0 HG SER A 82 -0.991 6.936 7.369 1.00 0.00 H new ATOM 1199 N SER A 83 2.445 4.361 8.381 1.00 0.00 N ATOM 1200 CA SER A 83 3.538 3.745 9.124 1.00 0.00 C ATOM 1201 C SER A 83 4.749 3.505 8.209 1.00 0.00 C ATOM 1202 O SER A 83 5.408 2.454 8.235 1.00 0.00 O ATOM 1203 CB SER A 83 3.032 2.498 9.872 1.00 0.00 C ATOM 1204 OG SER A 83 3.955 2.077 10.869 1.00 0.00 O ATOM 0 H SER A 83 2.073 5.182 8.859 1.00 0.00 H new ATOM 0 HA SER A 83 3.900 4.423 9.897 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.069 2.716 10.335 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.868 1.688 9.161 1.00 0.00 H new ATOM 0 HG SER A 83 4.853 2.019 10.480 1.00 0.00 H new ATOM 1209 N LEU A 84 5.045 4.472 7.335 1.00 0.00 N ATOM 1210 CA LEU A 84 6.292 4.451 6.596 1.00 0.00 C ATOM 1211 C LEU A 84 7.440 4.837 7.516 1.00 0.00 C ATOM 1212 O LEU A 84 7.262 5.303 8.638 1.00 0.00 O ATOM 1213 CB LEU A 84 6.186 5.318 5.336 1.00 0.00 C ATOM 1214 CG LEU A 84 5.365 4.593 4.255 1.00 0.00 C ATOM 1215 CD1 LEU A 84 5.066 5.575 3.137 1.00 0.00 C ATOM 1216 CD2 LEU A 84 6.111 3.367 3.710 1.00 0.00 C ATOM 0 H LEU A 84 4.440 5.267 7.130 1.00 0.00 H new ATOM 0 HA LEU A 84 6.503 3.442 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.716 6.271 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.183 5.542 4.956 1.00 0.00 H new ATOM 0 HG LEU A 84 4.435 4.232 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.484 5.077 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.497 6.416 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.002 5.938 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.502 2.879 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.057 3.683 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.304 2.667 4.523 1.00 0.00 H new ATOM 1227 N LYS A 85 8.641 4.510 7.058 1.00 0.00 N ATOM 1228 CA LYS A 85 9.864 4.470 7.845 1.00 0.00 C ATOM 1229 C LYS A 85 10.903 5.184 7.047 1.00 0.00 C ATOM 1230 O LYS A 85 10.808 5.208 5.818 1.00 0.00 O ATOM 1231 CB LYS A 85 10.280 3.027 8.096 1.00 0.00 C ATOM 1232 CG LYS A 85 9.231 2.239 8.900 1.00 0.00 C ATOM 1233 CD LYS A 85 9.323 0.778 8.494 1.00 0.00 C ATOM 1234 CE LYS A 85 8.740 0.592 7.086 1.00 0.00 C ATOM 1235 NZ LYS A 85 7.299 0.848 7.001 1.00 0.00 N ATOM 0 H LYS A 85 8.795 4.254 6.083 1.00 0.00 H new ATOM 0 HA LYS A 85 9.726 4.942 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.448 2.530 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.228 3.015 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.410 2.349 9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.231 2.626 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.362 0.450 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.780 0.158 9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.259 1.259 6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.938 -0.427 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.093 1.387 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.787 -0.057 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.994 1.396 7.831 1.00 0.00 H new ATOM 1245 N GLU A 86 11.921 5.695 7.707 1.00 0.00 N ATOM 1246 CA GLU A 86 12.917 6.512 7.033 1.00 0.00 C ATOM 1247 C GLU A 86 13.651 5.682 5.976 1.00 0.00 C ATOM 1248 O GLU A 86 14.128 6.233 4.984 1.00 0.00 O ATOM 1249 CB GLU A 86 13.895 7.132 8.039 1.00 0.00 C ATOM 1250 CG GLU A 86 14.228 8.564 7.609 1.00 0.00 C ATOM 1251 CD GLU A 86 15.504 9.053 8.282 1.00 0.00 C ATOM 1252 OE1 GLU A 86 15.427 9.554 9.431 1.00 0.00 O ATOM 1253 OE2 GLU A 86 16.584 8.885 7.673 1.00 0.00 O ATOM 0 H GLU A 86 12.083 5.562 8.705 1.00 0.00 H new ATOM 0 HA GLU A 86 12.410 7.334 6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.456 7.133 9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.806 6.536 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.345 8.604 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.401 9.226 7.865 1.00 0.00 H new ATOM 1258 N SER A 87 13.673 4.353 6.136 1.00 0.00 N ATOM 1259 CA SER A 87 14.352 3.451 5.202 1.00 0.00 C ATOM 1260 C SER A 87 13.607 3.308 3.869 1.00 0.00 C ATOM 1261 O SER A 87 14.208 2.928 2.864 1.00 0.00 O ATOM 1262 CB SER A 87 14.513 2.053 5.811 1.00 0.00 C ATOM 1263 OG SER A 87 14.889 2.110 7.168 1.00 0.00 O ATOM 0 H SER A 87 13.221 3.875 6.916 1.00 0.00 H new ATOM 0 HA SER A 87 15.326 3.900 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.575 1.506 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.264 1.497 5.250 1.00 0.00 H new ATOM 0 HG SER A 87 14.980 1.200 7.521 1.00 0.00 H new ATOM 1268 N ILE A 88 12.304 3.604 3.841 1.00 0.00 N ATOM 1269 CA ILE A 88 11.407 3.299 2.728 1.00 0.00 C ATOM 1270 C ILE A 88 10.761 4.579 2.214 1.00 0.00 C ATOM 1271 O ILE A 88 10.540 4.760 1.018 1.00 0.00 O ATOM 1272 CB ILE A 88 10.324 2.303 3.176 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.858 0.982 3.788 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.410 2.013 1.982 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.788 0.209 2.866 1.00 0.00 C ATOM 0 H ILE A 88 11.834 4.075 4.614 1.00 0.00 H new ATOM 0 HA ILE A 88 11.986 2.847 1.923 1.00 0.00 H new ATOM 0 HB ILE A 88 9.779 2.778 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.386 1.209 4.714 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.012 0.347 4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.634 1.308 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.947 2.940 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.997 1.584 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.120 -0.702 3.364 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.258 -0.051 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.654 0.825 2.623 1.00 0.00 H new ATOM 1286 N SER A 89 10.491 5.502 3.124 1.00 0.00 N ATOM 1287 CA SER A 89 9.955 6.795 2.797 1.00 0.00 C ATOM 1288 C SER A 89 10.974 7.495 1.875 1.00 0.00 C ATOM 1289 O SER A 89 10.605 8.002 0.813 1.00 0.00 O ATOM 1290 CB SER A 89 9.667 7.588 4.081 1.00 0.00 C ATOM 1291 OG SER A 89 8.811 8.669 3.799 1.00 0.00 O ATOM 0 H SER A 89 10.644 5.362 4.123 1.00 0.00 H new ATOM 0 HA SER A 89 9.002 6.716 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.210 6.936 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.600 7.955 4.508 1.00 0.00 H new ATOM 0 HG SER A 89 8.631 9.168 4.623 1.00 0.00 H new ATOM 1296 N ARG A 90 12.274 7.419 2.215 1.00 0.00 N ATOM 1297 CA ARG A 90 13.369 7.858 1.347 1.00 0.00 C ATOM 1298 C ARG A 90 13.329 7.172 -0.008 1.00 0.00 C ATOM 1299 O ARG A 90 13.660 7.801 -0.991 1.00 0.00 O ATOM 1300 CB ARG A 90 14.743 7.595 1.999 1.00 0.00 C ATOM 1301 CG ARG A 90 15.197 6.128 1.878 1.00 0.00 C ATOM 1302 CD ARG A 90 16.493 5.821 2.600 1.00 0.00 C ATOM 1303 NE ARG A 90 16.770 4.375 2.582 1.00 0.00 N ATOM 1304 CZ ARG A 90 17.698 3.757 3.318 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.465 4.451 4.154 1.00 0.00 N ATOM 1306 NH2 ARG A 90 17.841 2.440 3.218 1.00 0.00 N ATOM 0 H ARG A 90 12.591 7.047 3.110 1.00 0.00 H new ATOM 0 HA ARG A 90 13.234 8.930 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.489 8.240 1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.697 7.869 3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.412 5.482 2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.314 5.881 0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.314 6.359 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.433 6.172 3.630 1.00 0.00 H new ATOM 0 HE ARG A 90 16.207 3.798 1.957 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.346 5.461 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.172 3.973 4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.245 1.909 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 90 18.547 1.960 3.776 1.00 0.00 H new ATOM 1317 N ILE A 91 12.991 5.887 -0.077 1.00 0.00 N ATOM 1318 CA ILE A 91 13.067 5.106 -1.296 1.00 0.00 C ATOM 1319 C ILE A 91 12.037 5.696 -2.255 1.00 0.00 C ATOM 1320 O ILE A 91 12.353 5.992 -3.409 1.00 0.00 O ATOM 1321 CB ILE A 91 12.852 3.613 -0.924 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.219 2.934 -0.725 1.00 0.00 C ATOM 1323 CG2 ILE A 91 11.954 2.847 -1.906 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.092 1.496 -0.208 1.00 0.00 C ATOM 0 H ILE A 91 12.653 5.357 0.726 1.00 0.00 H new ATOM 0 HA ILE A 91 14.033 5.146 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 91 12.299 3.587 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.760 2.930 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.812 3.518 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.853 1.813 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.970 3.314 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.400 2.869 -2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.085 1.064 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.577 1.499 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.524 0.901 -0.923 1.00 0.00 H new ATOM 1335 N LEU A 92 10.816 5.922 -1.765 1.00 0.00 N ATOM 1336 CA LEU A 92 9.791 6.559 -2.563 1.00 0.00 C ATOM 1337 C LEU A 92 10.193 8.000 -2.889 1.00 0.00 C ATOM 1338 O LEU A 92 9.907 8.456 -3.986 1.00 0.00 O ATOM 1339 CB LEU A 92 8.427 6.475 -1.859 1.00 0.00 C ATOM 1340 CG LEU A 92 7.982 5.020 -1.568 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.015 4.983 -0.383 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.343 4.365 -2.800 1.00 0.00 C ATOM 0 H LEU A 92 10.523 5.671 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 92 9.691 6.029 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.474 7.029 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.674 6.962 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 92 8.874 4.448 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.712 3.953 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.508 5.386 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.135 5.583 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.044 3.346 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.466 4.938 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.064 4.346 -3.617 1.00 0.00 H new ATOM 1353 N LYS A 93 10.887 8.724 -2.007 1.00 0.00 N ATOM 1354 CA LYS A 93 11.356 10.076 -2.270 1.00 0.00 C ATOM 1355 C LYS A 93 12.383 10.092 -3.405 1.00 0.00 C ATOM 1356 O LYS A 93 12.218 10.817 -4.385 1.00 0.00 O ATOM 1357 CB LYS A 93 11.840 10.653 -0.930 1.00 0.00 C ATOM 1358 CG LYS A 93 12.495 12.006 -1.122 1.00 0.00 C ATOM 1359 CD LYS A 93 12.536 12.918 0.109 1.00 0.00 C ATOM 1360 CE LYS A 93 13.457 12.380 1.206 1.00 0.00 C ATOM 1361 NZ LYS A 93 13.789 13.403 2.221 1.00 0.00 N ATOM 0 H LYS A 93 11.139 8.379 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 93 10.563 10.725 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.997 10.748 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.549 9.965 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.517 11.846 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.970 12.531 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.873 13.911 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.528 13.030 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.978 11.531 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.377 12.010 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.415 12.988 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.271 14.203 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.915 13.739 2.674 1.00 0.00 H new ATOM 1371 N LEU A 94 13.399 9.241 -3.299 1.00 0.00 N ATOM 1372 CA LEU A 94 14.484 9.018 -4.243 1.00 0.00 C ATOM 1373 C LEU A 94 13.933 8.860 -5.656 1.00 0.00 C ATOM 1374 O LEU A 94 14.362 9.577 -6.561 1.00 0.00 O ATOM 1375 CB LEU A 94 15.279 7.770 -3.793 1.00 0.00 C ATOM 1376 CG LEU A 94 16.326 8.039 -2.697 1.00 0.00 C ATOM 1377 CD1 LEU A 94 16.844 6.716 -2.124 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.499 8.857 -3.232 1.00 0.00 C ATOM 0 H LEU A 94 13.490 8.640 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 94 15.156 9.876 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.577 7.019 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 94 15.782 7.343 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 94 15.838 8.614 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.584 6.920 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.014 6.156 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.304 6.130 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.219 9.028 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 94 17.982 8.313 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.135 9.815 -3.603 1.00 0.00 H new ATOM 1389 N THR A 95 12.967 7.961 -5.839 1.00 0.00 N ATOM 1390 CA THR A 95 12.390 7.636 -7.144 1.00 0.00 C ATOM 1391 C THR A 95 11.205 8.539 -7.508 1.00 0.00 C ATOM 1392 O THR A 95 10.478 8.281 -8.467 1.00 0.00 O ATOM 1393 CB THR A 95 12.071 6.122 -7.185 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.038 5.400 -6.443 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.081 5.537 -8.600 1.00 0.00 C ATOM 0 H THR A 95 12.556 7.429 -5.072 1.00 0.00 H new ATOM 0 HA THR A 95 13.119 7.845 -7.927 1.00 0.00 H new ATOM 0 HB THR A 95 11.069 6.025 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.839 5.475 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.850 4.473 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.334 6.045 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.067 5.676 -9.044 1.00 0.00 H new ATOM 1403 N HIS A 96 11.019 9.632 -6.772 1.00 0.00 N ATOM 1404 CA HIS A 96 9.923 10.580 -6.905 1.00 0.00 C ATOM 1405 C HIS A 96 8.558 9.890 -6.935 1.00 0.00 C ATOM 1406 O HIS A 96 7.655 10.311 -7.651 1.00 0.00 O ATOM 1407 CB HIS A 96 10.118 11.576 -8.065 1.00 0.00 C ATOM 1408 CG HIS A 96 11.555 11.731 -8.509 1.00 0.00 C ATOM 1409 ND1 HIS A 96 12.554 12.429 -7.852 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.141 10.980 -9.489 1.00 0.00 C ATOM 1411 CE1 HIS A 96 13.729 12.094 -8.421 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.499 11.210 -9.413 1.00 0.00 N ATOM 0 H HIS A 96 11.666 9.891 -6.027 1.00 0.00 H new ATOM 0 HA HIS A 96 9.940 11.187 -6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 96 9.519 11.249 -8.915 1.00 0.00 H new ATOM 0 HB3 HIS A 96 9.735 12.550 -7.762 1.00 0.00 H new ATOM 0 HD2 HIS A 96 11.637 10.330 -10.189 1.00 0.00 H new ATOM 0 HE1 HIS A 96 14.698 12.472 -8.130 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.210 10.783 -10.007 1.00 0.00 H new ATOM 1420 N LEU A 97 8.414 8.803 -6.185 1.00 0.00 N ATOM 1421 CA LEU A 97 7.147 8.162 -5.911 1.00 0.00 C ATOM 1422 C LEU A 97 6.360 8.925 -4.863 1.00 0.00 C ATOM 1423 O LEU A 97 5.142 8.998 -4.944 1.00 0.00 O ATOM 1424 CB LEU A 97 7.351 6.725 -5.413 1.00 0.00 C ATOM 1425 CG LEU A 97 7.033 5.730 -6.530 1.00 0.00 C ATOM 1426 CD1 LEU A 97 8.280 5.408 -7.356 1.00 0.00 C ATOM 1427 CD2 LEU A 97 6.431 4.456 -5.959 1.00 0.00 C ATOM 0 H LEU A 97 9.204 8.335 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 97 6.591 8.151 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.380 6.591 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.709 6.535 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 97 6.301 6.194 -7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.022 4.698 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.665 6.323 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.042 4.973 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.212 3.762 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.139 3.997 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.510 4.695 -5.428 1.00 0.00 H new ATOM 1438 N ASP A 98 7.026 9.480 -3.861 1.00 0.00 N ATOM 1439 CA ASP A 98 6.360 10.192 -2.777 1.00 0.00 C ATOM 1440 C ASP A 98 5.556 11.384 -3.300 1.00 0.00 C ATOM 1441 O ASP A 98 4.504 11.701 -2.747 1.00 0.00 O ATOM 1442 CB ASP A 98 7.383 10.614 -1.715 1.00 0.00 C ATOM 1443 CG ASP A 98 8.309 11.744 -2.155 1.00 0.00 C ATOM 1444 OD1 ASP A 98 8.590 11.855 -3.369 1.00 0.00 O ATOM 1445 OD2 ASP A 98 8.835 12.455 -1.269 1.00 0.00 O ATOM 0 H ASP A 98 8.042 9.450 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 98 5.645 9.516 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.850 10.925 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.987 9.748 -1.444 1.00 0.00 H new ATOM 1449 N LYS A 99 6.001 11.998 -4.399 1.00 0.00 N ATOM 1450 CA LYS A 99 5.328 13.103 -5.066 1.00 0.00 C ATOM 1451 C LYS A 99 4.082 12.692 -5.857 1.00 0.00 C ATOM 1452 O LYS A 99 3.421 13.572 -6.409 1.00 0.00 O ATOM 1453 CB LYS A 99 6.342 13.893 -5.903 1.00 0.00 C ATOM 1454 CG LYS A 99 6.882 13.157 -7.106 1.00 0.00 C ATOM 1455 CD LYS A 99 7.262 14.080 -8.274 1.00 0.00 C ATOM 1456 CE LYS A 99 6.056 14.322 -9.183 1.00 0.00 C ATOM 1457 NZ LYS A 99 6.369 15.232 -10.300 1.00 0.00 N ATOM 0 H LYS A 99 6.869 11.727 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 99 4.931 13.760 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.872 14.816 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.178 14.176 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.760 12.584 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.135 12.441 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.630 15.031 -7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.073 13.633 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.707 13.369 -9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.239 14.740 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.521 15.365 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.677 16.151 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.130 14.823 -10.878 1.00 0.00 H new ATOM 1467 N ILE A 100 3.782 11.396 -5.961 1.00 0.00 N ATOM 1468 CA ILE A 100 2.733 10.835 -6.809 1.00 0.00 C ATOM 1469 C ILE A 100 1.907 9.771 -6.052 1.00 0.00 C ATOM 1470 O ILE A 100 1.061 9.076 -6.623 1.00 0.00 O ATOM 1471 CB ILE A 100 3.370 10.298 -8.109 1.00 0.00 C ATOM 1472 CG1 ILE A 100 4.543 9.346 -7.859 1.00 0.00 C ATOM 1473 CG2 ILE A 100 3.870 11.429 -9.040 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.119 8.720 -9.134 1.00 0.00 C ATOM 0 H ILE A 100 4.285 10.681 -5.435 1.00 0.00 H new ATOM 0 HA ILE A 100 2.021 11.614 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 100 2.560 9.751 -8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.335 9.889 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.215 8.549 -7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.308 10.994 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.032 12.068 -9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.622 12.022 -8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.945 8.059 -8.873 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.342 8.148 -9.641 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.479 9.508 -9.795 1.00 0.00 H new ATOM 1485 N PHE A 101 2.136 9.645 -4.747 1.00 0.00 N ATOM 1486 CA PHE A 101 1.506 8.760 -3.767 1.00 0.00 C ATOM 1487 C PHE A 101 0.959 9.643 -2.633 1.00 0.00 C ATOM 1488 O PHE A 101 0.920 10.874 -2.766 1.00 0.00 O ATOM 1489 CB PHE A 101 2.588 7.783 -3.277 1.00 0.00 C ATOM 1490 CG PHE A 101 2.819 6.504 -4.061 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.917 6.461 -5.464 1.00 0.00 C ATOM 1492 CD2 PHE A 101 3.050 5.326 -3.339 1.00 0.00 C ATOM 1493 CE1 PHE A 101 3.195 5.264 -6.130 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.342 4.127 -3.984 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.374 4.107 -5.376 1.00 0.00 C ATOM 0 H PHE A 101 2.846 10.225 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 101 0.678 8.182 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.533 8.325 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.343 7.504 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.775 7.367 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.001 5.348 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.269 5.237 -7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.540 3.230 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.542 3.169 -5.884 1.00 0.00 H new ATOM 1504 N LYS A 102 0.545 9.047 -1.513 1.00 0.00 N ATOM 1505 CA LYS A 102 0.407 9.753 -0.247 1.00 0.00 C ATOM 1506 C LYS A 102 1.047 8.951 0.858 1.00 0.00 C ATOM 1507 O LYS A 102 1.008 7.722 0.861 1.00 0.00 O ATOM 1508 CB LYS A 102 -1.063 10.064 0.054 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.206 11.021 1.262 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.138 12.217 1.056 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.609 11.821 1.159 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.478 13.015 1.182 1.00 0.00 N ATOM 0 H LYS A 102 0.297 8.059 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 102 0.924 10.710 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.528 10.513 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.598 9.136 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.565 10.447 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.217 11.396 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.916 12.982 1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.949 12.659 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.879 11.187 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.769 11.233 2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.473 12.719 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.234 13.606 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.340 13.561 0.308 1.00 0.00 H new ATOM 1522 N ILE A 103 1.627 9.683 1.797 1.00 0.00 N ATOM 1523 CA ILE A 103 2.309 9.159 2.947 1.00 0.00 C ATOM 1524 C ILE A 103 1.718 9.844 4.177 1.00 0.00 C ATOM 1525 O ILE A 103 1.692 11.080 4.224 1.00 0.00 O ATOM 1526 CB ILE A 103 3.831 9.385 2.795 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.448 8.553 1.645 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.519 9.047 4.123 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.496 9.276 0.295 1.00 0.00 C ATOM 0 H ILE A 103 1.629 10.703 1.767 1.00 0.00 H new ATOM 0 HA ILE A 103 2.172 8.083 3.052 1.00 0.00 H new ATOM 0 HB ILE A 103 3.990 10.432 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.461 8.264 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.875 7.633 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.593 9.203 4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.128 9.692 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.325 8.005 4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.943 8.621 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.484 9.541 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.095 10.182 0.388 1.00 0.00 H new ATOM 1540 N THR A 104 1.308 9.051 5.160 1.00 0.00 N ATOM 1541 CA THR A 104 0.884 9.433 6.491 1.00 0.00 C ATOM 1542 C THR A 104 1.698 8.645 7.507 1.00 0.00 C ATOM 1543 O THR A 104 2.601 7.858 7.201 1.00 0.00 O ATOM 1544 CB THR A 104 -0.643 9.306 6.644 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.165 8.137 6.051 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.346 10.476 5.960 1.00 0.00 C ATOM 0 H THR A 104 1.262 8.040 5.030 1.00 0.00 H new ATOM 0 HA THR A 104 1.084 10.488 6.677 1.00 0.00 H new ATOM 0 HB THR A 104 -0.822 9.283 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.924 8.372 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.425 10.371 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.021 11.412 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.095 10.481 4.899 1.00 0.00 H new ATOM 1554 N ASP A 105 1.402 8.945 8.753 1.00 0.00 N ATOM 1555 CA ASP A 105 2.076 8.517 9.945 1.00 0.00 C ATOM 1556 C ASP A 105 1.166 7.424 10.448 1.00 0.00 C ATOM 1557 O ASP A 105 1.343 6.250 10.130 1.00 0.00 O ATOM 1558 CB ASP A 105 2.136 9.701 10.925 1.00 0.00 C ATOM 1559 CG ASP A 105 3.086 10.808 10.497 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.316 10.658 10.629 1.00 0.00 O ATOM 1561 OD2 ASP A 105 2.585 11.847 10.014 1.00 0.00 O ATOM 0 H ASP A 105 0.610 9.550 8.969 1.00 0.00 H new ATOM 0 HA ASP A 105 3.102 8.176 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.135 10.118 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.440 9.334 11.905 1.00 0.00 H new ATOM 1565 N THR A 106 0.052 7.830 11.041 1.00 0.00 N ATOM 1566 CA THR A 106 -0.922 6.910 11.583 1.00 0.00 C ATOM 1567 C THR A 106 -1.982 6.672 10.528 1.00 0.00 C ATOM 1568 O THR A 106 -2.357 7.567 9.770 1.00 0.00 O ATOM 1569 CB THR A 106 -1.455 7.405 12.932 1.00 0.00 C ATOM 1570 OG1 THR A 106 -1.865 8.760 12.881 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.352 7.251 13.985 1.00 0.00 C ATOM 0 H THR A 106 -0.197 8.812 11.157 1.00 0.00 H new ATOM 0 HA THR A 106 -0.472 5.944 11.813 1.00 0.00 H new ATOM 0 HB THR A 106 -2.329 6.806 13.189 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.199 9.034 13.761 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.719 7.600 14.950 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.067 6.202 14.063 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.516 7.842 13.692 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.471 5.442 10.485 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.541 5.013 9.602 1.00 0.00 C ATOM 1581 C VAL A 107 -4.802 5.864 9.829 1.00 0.00 C ATOM 1582 O VAL A 107 -5.616 6.055 8.923 1.00 0.00 O ATOM 1583 CB VAL A 107 -3.721 3.518 9.907 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -5.064 2.948 9.497 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -2.590 2.695 9.280 1.00 0.00 C ATOM 0 H VAL A 107 -2.122 4.693 11.083 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.319 5.151 8.544 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.682 3.444 10.994 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.102 1.888 9.750 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.859 3.476 10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.198 3.069 8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.738 1.640 9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.594 2.836 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.633 3.023 9.686 1.00 0.00 H new ATOM 1595 N GLU A 108 -4.958 6.409 11.031 1.00 0.00 N ATOM 1596 CA GLU A 108 -5.980 7.405 11.336 1.00 0.00 C ATOM 1597 C GLU A 108 -5.835 8.680 10.494 1.00 0.00 C ATOM 1598 O GLU A 108 -6.852 9.224 10.054 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.954 7.762 12.830 1.00 0.00 C ATOM 1600 CG GLU A 108 -7.039 6.992 13.606 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.643 7.840 14.725 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -8.353 8.818 14.418 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -7.407 7.500 15.913 1.00 0.00 O ATOM 0 H GLU A 108 -4.372 6.169 11.830 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.940 6.955 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.973 7.530 13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.107 8.834 12.953 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.826 6.682 12.919 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.609 6.084 14.029 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.608 9.150 10.265 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.299 10.428 9.625 1.00 0.00 C ATOM 1610 C GLU A 109 -4.466 10.393 8.104 1.00 0.00 C ATOM 1611 O GLU A 109 -4.500 11.449 7.462 1.00 0.00 O ATOM 1612 CB GLU A 109 -2.850 10.814 9.983 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.676 12.328 10.177 1.00 0.00 C ATOM 1614 CD GLU A 109 -1.692 12.688 11.294 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -1.821 12.159 12.423 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -0.880 13.621 11.117 1.00 0.00 O ATOM 0 H GLU A 109 -3.771 8.631 10.530 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.008 11.168 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.555 10.298 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.181 10.473 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.331 12.769 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.646 12.772 10.400 1.00 0.00 H new ATOM 1621 N ALA A 110 -4.542 9.184 7.543 1.00 0.00 N ATOM 1622 CA ALA A 110 -4.821 8.904 6.150 1.00 0.00 C ATOM 1623 C ALA A 110 -6.229 9.351 5.835 1.00 0.00 C ATOM 1624 O ALA A 110 -6.356 10.382 5.145 1.00 0.00 O ATOM 1625 CB ALA A 110 -4.622 7.418 5.899 1.00 0.00 C ATOM 0 H ALA A 110 -4.401 8.333 8.087 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.142 9.449 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.829 7.195 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.593 7.144 6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.301 6.848 6.533 1.00 0.00 H new