USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 44 ASN : amide:sc= -1.09 K(o=-3,f=-3.6!) USER MOD Set 1.2: A 45 ASN : amide:sc= -2.49! K(o=-3!,f=-3.5) USER MOD Set 1.3: A 79 SER OG : rot -92:sc= 0.572 USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.0598 (180deg=-0.493) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -0.158 (180deg=-0.884) USER MOD Single : A 13 GLN : amide:sc= -0.564 K(o=-0.56,f=-0.0057) USER MOD Single : A 14 GLN : amide:sc= -0.945 K(o=-0.94,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= 0.0305 (180deg=-0.403) USER MOD Single : A 28 SER OG : rot 79:sc= 0.348 USER MOD Single : A 29 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.061) USER MOD Single : A 31 MET CE :methyl -140:sc= -1.97! (180deg=-3.93!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.77) USER MOD Single : A 39 CYS SG : rot 130:sc= -6.27! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.77 K(o=-3.8,f=-1.5) USER MOD Single : A 53 THR OG1 : rot -28:sc= 0.331 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.5!) USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.0844 (180deg=-0.659) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 135:sc= 0.0868 (180deg=-0.23) USER MOD Single : A 76 ASN : amide:sc= -2.58! K(o=-2.6!,f=-0.93) USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= -0.29 (180deg=-1.32) USER MOD Single : A 80 LYS NZ :NH3+ 156:sc= -1.37 (180deg=-2.06) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.7) USER MOD Single : A 86 SER OG : rot 160:sc= -0.47 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 89 ASN : amide:sc= -5.01! C(o=-5!,f=-3.6!) USER MOD Single : A 92 ASN : amide:sc=-0.00575 K(o=-0.0058,f=-0.97) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -7.016 9.188 -0.363 1.00 0.00 N ATOM 42 CA LYS A 3 -8.082 10.075 0.183 1.00 0.00 C ATOM 43 C LYS A 3 -8.548 9.558 1.545 1.00 0.00 C ATOM 44 O LYS A 3 -8.627 10.300 2.504 1.00 0.00 O ATOM 45 CB LYS A 3 -9.267 10.097 -0.784 1.00 0.00 C ATOM 46 CG LYS A 3 -8.840 10.740 -2.104 1.00 0.00 C ATOM 47 CD LYS A 3 -10.060 10.898 -3.014 1.00 0.00 C ATOM 48 CE LYS A 3 -9.670 11.703 -4.256 1.00 0.00 C ATOM 49 NZ LYS A 3 -8.552 11.017 -4.961 1.00 0.00 N ATOM 0 HA LYS A 3 -7.683 11.082 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.624 9.082 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -10.095 10.655 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.385 11.712 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.086 10.124 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.438 9.918 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.864 11.403 -2.478 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.527 11.803 -4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.370 12.711 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.476 11.384 -5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.662 11.193 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.737 9.994 -4.992 1.00 0.00 H new ATOM 63 N PHE A 4 -8.869 8.293 1.643 1.00 0.00 N ATOM 64 CA PHE A 4 -9.341 7.740 2.949 1.00 0.00 C ATOM 65 C PHE A 4 -8.149 7.429 3.857 1.00 0.00 C ATOM 66 O PHE A 4 -7.024 7.304 3.416 1.00 0.00 O ATOM 67 CB PHE A 4 -10.165 6.472 2.731 1.00 0.00 C ATOM 68 CG PHE A 4 -9.436 5.511 1.820 1.00 0.00 C ATOM 69 CD1 PHE A 4 -8.457 4.651 2.337 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.752 5.473 0.459 1.00 0.00 C ATOM 71 CE1 PHE A 4 -7.797 3.754 1.485 1.00 0.00 C ATOM 72 CE2 PHE A 4 -9.094 4.578 -0.390 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.118 3.721 0.121 1.00 0.00 C ATOM 0 H PHE A 4 -8.825 7.620 0.877 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.970 8.491 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.364 5.992 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.131 6.730 2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.212 4.679 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.506 6.137 0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.042 3.089 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.341 4.550 -1.441 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.609 3.031 -0.536 1.00 0.00 H new ATOM 83 N THR A 5 -8.403 7.315 5.135 1.00 0.00 N ATOM 84 CA THR A 5 -7.315 7.025 6.120 1.00 0.00 C ATOM 85 C THR A 5 -7.205 5.524 6.357 1.00 0.00 C ATOM 86 O THR A 5 -8.108 4.759 6.075 1.00 0.00 O ATOM 87 CB THR A 5 -7.608 7.714 7.450 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.693 7.247 8.432 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.032 7.396 7.889 1.00 0.00 C ATOM 0 H THR A 5 -9.332 7.412 5.545 1.00 0.00 H new ATOM 0 HA THR A 5 -6.377 7.401 5.712 1.00 0.00 H new ATOM 0 HB THR A 5 -7.500 8.792 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.877 7.689 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.239 7.889 8.839 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.733 7.753 7.135 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.144 6.318 8.008 1.00 0.00 H new ATOM 97 N GLU A 6 -6.093 5.106 6.877 1.00 0.00 N ATOM 98 CA GLU A 6 -5.875 3.656 7.155 1.00 0.00 C ATOM 99 C GLU A 6 -7.102 3.066 7.857 1.00 0.00 C ATOM 100 O GLU A 6 -7.529 1.972 7.550 1.00 0.00 O ATOM 101 CB GLU A 6 -4.648 3.488 8.054 1.00 0.00 C ATOM 102 CG GLU A 6 -3.396 3.940 7.300 1.00 0.00 C ATOM 103 CD GLU A 6 -2.152 3.592 8.120 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.185 2.589 8.813 1.00 0.00 O ATOM 105 OE2 GLU A 6 -1.189 4.335 8.042 1.00 0.00 O ATOM 0 H GLU A 6 -5.311 5.711 7.127 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.716 3.133 6.212 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.768 4.075 8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.546 2.446 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.350 3.453 6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.436 5.014 7.118 1.00 0.00 H new ATOM 112 N GLU A 7 -7.678 3.784 8.790 1.00 0.00 N ATOM 113 CA GLU A 7 -8.881 3.257 9.508 1.00 0.00 C ATOM 114 C GLU A 7 -9.897 2.742 8.482 1.00 0.00 C ATOM 115 O GLU A 7 -10.553 1.732 8.676 1.00 0.00 O ATOM 116 CB GLU A 7 -9.523 4.373 10.343 1.00 0.00 C ATOM 117 CG GLU A 7 -8.452 5.085 11.177 1.00 0.00 C ATOM 118 CD GLU A 7 -7.721 4.067 12.055 1.00 0.00 C ATOM 119 OE1 GLU A 7 -8.394 3.288 12.710 1.00 0.00 O ATOM 120 OE2 GLU A 7 -6.502 4.084 12.057 1.00 0.00 O ATOM 0 H GLU A 7 -7.368 4.710 9.085 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.578 2.445 10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.021 5.088 9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.287 3.955 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.743 5.590 10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.912 5.852 11.799 1.00 0.00 H new ATOM 127 N GLU A 8 -10.014 3.418 7.376 1.00 0.00 N ATOM 128 CA GLU A 8 -10.958 2.967 6.328 1.00 0.00 C ATOM 129 C GLU A 8 -10.437 1.652 5.758 1.00 0.00 C ATOM 130 O GLU A 8 -11.163 0.691 5.615 1.00 0.00 O ATOM 131 CB GLU A 8 -10.998 4.018 5.230 1.00 0.00 C ATOM 132 CG GLU A 8 -12.148 3.735 4.265 1.00 0.00 C ATOM 133 CD GLU A 8 -13.484 4.006 4.962 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.542 4.937 5.747 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.425 3.276 4.698 1.00 0.00 O ATOM 0 H GLU A 8 -9.493 4.267 7.155 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.959 2.827 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.119 5.008 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.052 4.023 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.055 4.363 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.106 2.699 3.928 1.00 0.00 H new ATOM 142 N ASP A 9 -9.167 1.615 5.445 1.00 0.00 N ATOM 143 CA ASP A 9 -8.557 0.366 4.885 1.00 0.00 C ATOM 144 C ASP A 9 -9.018 -0.838 5.713 1.00 0.00 C ATOM 145 O ASP A 9 -9.108 -1.953 5.231 1.00 0.00 O ATOM 146 CB ASP A 9 -7.029 0.479 4.950 1.00 0.00 C ATOM 147 CG ASP A 9 -6.395 -0.630 4.109 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.315 -1.746 4.598 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.000 -0.345 2.993 1.00 0.00 O ATOM 0 H ASP A 9 -8.522 2.398 5.553 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.869 0.235 3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.711 1.455 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.692 0.402 5.984 1.00 0.00 H new ATOM 154 N LEU A 10 -9.339 -0.612 6.955 1.00 0.00 N ATOM 155 CA LEU A 10 -9.827 -1.726 7.814 1.00 0.00 C ATOM 156 C LEU A 10 -11.281 -1.996 7.427 1.00 0.00 C ATOM 157 O LEU A 10 -11.715 -3.130 7.309 1.00 0.00 O ATOM 158 CB LEU A 10 -9.729 -1.321 9.298 1.00 0.00 C ATOM 159 CG LEU A 10 -8.479 -0.466 9.519 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.338 -0.136 11.004 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.235 -1.224 9.037 1.00 0.00 C ATOM 0 H LEU A 10 -9.285 0.297 7.414 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.225 -2.623 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.619 -0.764 9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.688 -2.211 9.926 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.574 0.459 8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.447 0.473 11.158 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.217 0.415 11.339 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.249 -1.060 11.575 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.349 -0.609 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.137 -2.155 9.596 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.334 -1.447 7.975 1.00 0.00 H new ATOM 173 N LYS A 11 -12.032 -0.952 7.194 1.00 0.00 N ATOM 174 CA LYS A 11 -13.445 -1.143 6.781 1.00 0.00 C ATOM 175 C LYS A 11 -13.445 -1.937 5.478 1.00 0.00 C ATOM 176 O LYS A 11 -14.277 -2.791 5.258 1.00 0.00 O ATOM 177 CB LYS A 11 -14.115 0.216 6.563 1.00 0.00 C ATOM 178 CG LYS A 11 -14.218 0.954 7.901 1.00 0.00 C ATOM 179 CD LYS A 11 -15.102 2.192 7.738 1.00 0.00 C ATOM 180 CE LYS A 11 -15.321 2.846 9.103 1.00 0.00 C ATOM 181 NZ LYS A 11 -15.995 1.879 10.015 1.00 0.00 N ATOM 0 H LYS A 11 -11.726 0.018 7.272 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.998 -1.677 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.538 0.808 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.107 0.080 6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.636 0.294 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.225 1.246 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.632 2.900 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.060 1.913 7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.366 3.157 9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.929 3.744 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.458 2.397 10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.708 1.340 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.290 1.224 10.410 1.00 0.00 H new ATOM 195 N LEU A 12 -12.493 -1.677 4.621 1.00 0.00 N ATOM 196 CA LEU A 12 -12.415 -2.428 3.345 1.00 0.00 C ATOM 197 C LEU A 12 -12.331 -3.918 3.676 1.00 0.00 C ATOM 198 O LEU A 12 -13.019 -4.726 3.107 1.00 0.00 O ATOM 199 CB LEU A 12 -11.155 -1.996 2.568 1.00 0.00 C ATOM 200 CG LEU A 12 -11.457 -0.788 1.676 1.00 0.00 C ATOM 201 CD1 LEU A 12 -11.889 0.399 2.539 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.194 -0.420 0.891 1.00 0.00 C ATOM 0 H LEU A 12 -11.766 -0.974 4.755 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.293 -2.227 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.357 -1.747 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.796 -2.825 1.957 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.263 -1.036 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.102 1.255 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.785 0.134 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.088 0.655 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.400 0.439 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.393 -0.172 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.890 -1.265 0.274 1.00 0.00 H new ATOM 214 N GLN A 13 -11.500 -4.293 4.602 1.00 0.00 N ATOM 215 CA GLN A 13 -11.400 -5.742 4.937 1.00 0.00 C ATOM 216 C GLN A 13 -12.802 -6.288 5.238 1.00 0.00 C ATOM 217 O GLN A 13 -13.126 -7.408 4.900 1.00 0.00 O ATOM 218 CB GLN A 13 -10.509 -5.915 6.171 1.00 0.00 C ATOM 219 CG GLN A 13 -10.260 -7.404 6.433 1.00 0.00 C ATOM 220 CD GLN A 13 -9.462 -7.564 7.728 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.540 -8.351 7.795 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.782 -6.843 8.769 1.00 0.00 N ATOM 0 H GLN A 13 -10.892 -3.672 5.137 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.968 -6.286 4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.560 -5.400 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.984 -5.459 7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.209 -7.935 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.714 -7.845 5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.557 -6.182 8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.257 -6.941 9.638 1.00 0.00 H new ATOM 231 N GLN A 14 -13.641 -5.505 5.858 1.00 0.00 N ATOM 232 CA GLN A 14 -15.023 -5.993 6.172 1.00 0.00 C ATOM 233 C GLN A 14 -15.942 -5.884 4.949 1.00 0.00 C ATOM 234 O GLN A 14 -16.545 -6.850 4.527 1.00 0.00 O ATOM 235 CB GLN A 14 -15.617 -5.150 7.288 1.00 0.00 C ATOM 236 CG GLN A 14 -14.670 -5.138 8.490 1.00 0.00 C ATOM 237 CD GLN A 14 -15.362 -4.469 9.679 1.00 0.00 C ATOM 238 OE1 GLN A 14 -14.994 -4.692 10.815 1.00 0.00 O ATOM 239 NE2 GLN A 14 -16.355 -3.650 9.464 1.00 0.00 N ATOM 0 H GLN A 14 -13.436 -4.553 6.161 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.948 -7.038 6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.786 -4.132 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.587 -5.551 7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.382 -6.157 8.750 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.755 -4.602 8.240 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.664 -3.463 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.822 -3.197 10.250 1.00 0.00 H new ATOM 248 N LEU A 15 -16.081 -4.714 4.389 1.00 0.00 N ATOM 249 CA LEU A 15 -16.985 -4.562 3.214 1.00 0.00 C ATOM 250 C LEU A 15 -16.482 -5.463 2.087 1.00 0.00 C ATOM 251 O LEU A 15 -17.212 -6.267 1.544 1.00 0.00 O ATOM 252 CB LEU A 15 -16.989 -3.090 2.757 1.00 0.00 C ATOM 253 CG LEU A 15 -17.979 -2.275 3.602 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.640 -2.423 5.088 1.00 0.00 C ATOM 255 CD2 LEU A 15 -17.889 -0.799 3.205 1.00 0.00 C ATOM 0 H LEU A 15 -15.611 -3.861 4.692 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.002 -4.849 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.988 -2.670 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.263 -3.029 1.704 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.990 -2.643 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.346 -1.842 5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.704 -3.473 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.629 -2.059 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.591 -0.218 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.876 -0.436 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.136 -0.691 2.149 1.00 0.00 H new ATOM 267 N VAL A 16 -15.236 -5.337 1.742 1.00 0.00 N ATOM 268 CA VAL A 16 -14.673 -6.180 0.659 1.00 0.00 C ATOM 269 C VAL A 16 -14.886 -7.649 1.010 1.00 0.00 C ATOM 270 O VAL A 16 -15.081 -8.474 0.141 1.00 0.00 O ATOM 271 CB VAL A 16 -13.178 -5.893 0.501 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.641 -6.651 -0.711 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.965 -4.386 0.290 1.00 0.00 C ATOM 0 H VAL A 16 -14.579 -4.682 2.166 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.175 -5.953 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.650 -6.215 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.576 -6.448 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.793 -7.721 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.170 -6.326 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.900 -4.181 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.493 -4.066 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.350 -3.840 1.151 1.00 0.00 H new ATOM 283 N MET A 17 -14.872 -7.994 2.272 1.00 0.00 N ATOM 284 CA MET A 17 -15.102 -9.413 2.631 1.00 0.00 C ATOM 285 C MET A 17 -16.557 -9.755 2.294 1.00 0.00 C ATOM 286 O MET A 17 -16.878 -10.874 1.944 1.00 0.00 O ATOM 287 CB MET A 17 -14.818 -9.612 4.127 1.00 0.00 C ATOM 288 CG MET A 17 -15.380 -10.954 4.601 1.00 0.00 C ATOM 289 SD MET A 17 -14.679 -11.365 6.219 1.00 0.00 S ATOM 290 CE MET A 17 -15.920 -12.592 6.697 1.00 0.00 C ATOM 0 H MET A 17 -14.713 -7.360 3.055 1.00 0.00 H new ATOM 0 HA MET A 17 -14.437 -10.073 2.073 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.744 -9.576 4.308 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.265 -8.800 4.700 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.467 -10.902 4.666 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.141 -11.736 3.880 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.680 -12.986 7.684 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.904 -12.124 6.722 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.925 -13.406 5.972 1.00 0.00 H new ATOM 300 N ARG A 18 -17.440 -8.792 2.387 1.00 0.00 N ATOM 301 CA ARG A 18 -18.873 -9.055 2.064 1.00 0.00 C ATOM 302 C ARG A 18 -19.068 -9.043 0.541 1.00 0.00 C ATOM 303 O ARG A 18 -19.928 -9.721 0.015 1.00 0.00 O ATOM 304 CB ARG A 18 -19.743 -7.968 2.695 1.00 0.00 C ATOM 305 CG ARG A 18 -21.217 -8.258 2.404 1.00 0.00 C ATOM 306 CD ARG A 18 -22.097 -7.320 3.234 1.00 0.00 C ATOM 307 NE ARG A 18 -23.524 -7.507 2.848 1.00 0.00 N ATOM 308 CZ ARG A 18 -24.425 -6.651 3.249 1.00 0.00 C ATOM 309 NH1 ARG A 18 -24.078 -5.633 3.987 1.00 0.00 N ATOM 310 NH2 ARG A 18 -25.675 -6.816 2.910 1.00 0.00 N ATOM 0 H ARG A 18 -17.229 -7.836 2.673 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.161 -10.029 2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.574 -7.932 3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.468 -6.991 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.422 -8.122 1.342 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.448 -9.296 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.966 -7.527 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -21.798 -6.285 3.071 1.00 0.00 H new ATOM 0 HE ARG A 18 -23.797 -8.303 2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.101 -5.504 4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.783 -4.965 4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -25.946 -7.612 2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -26.380 -6.149 3.222 1.00 0.00 H new ATOM 324 N TYR A 19 -18.276 -8.275 -0.171 1.00 0.00 N ATOM 325 CA TYR A 19 -18.408 -8.209 -1.663 1.00 0.00 C ATOM 326 C TYR A 19 -17.364 -9.121 -2.307 1.00 0.00 C ATOM 327 O TYR A 19 -17.358 -9.330 -3.505 1.00 0.00 O ATOM 328 CB TYR A 19 -18.171 -6.769 -2.127 1.00 0.00 C ATOM 329 CG TYR A 19 -19.195 -5.859 -1.479 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.546 -5.975 -1.830 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.802 -4.914 -0.521 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.499 -5.147 -1.229 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.757 -4.088 0.082 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.107 -4.204 -0.272 1.00 0.00 C ATOM 335 OH TYR A 19 -22.048 -3.390 0.323 1.00 0.00 O ATOM 0 H TYR A 19 -17.539 -7.688 0.220 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.407 -8.532 -1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.163 -6.450 -1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.248 -6.707 -3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.852 -6.704 -2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.761 -4.823 -0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.540 -5.235 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.453 -3.361 0.820 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.607 -2.794 0.964 1.00 0.00 H new ATOM 345 N GLY A 20 -16.474 -9.661 -1.520 1.00 0.00 N ATOM 346 CA GLY A 20 -15.417 -10.555 -2.071 1.00 0.00 C ATOM 347 C GLY A 20 -14.261 -9.703 -2.588 1.00 0.00 C ATOM 348 O GLY A 20 -13.192 -9.688 -2.014 1.00 0.00 O ATOM 0 H GLY A 20 -16.434 -9.520 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.064 -11.239 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.824 -11.166 -2.877 1.00 0.00 H new ATOM 352 N ALA A 21 -14.492 -8.989 -3.666 1.00 0.00 N ATOM 353 CA ALA A 21 -13.444 -8.101 -4.278 1.00 0.00 C ATOM 354 C ALA A 21 -13.785 -7.889 -5.761 1.00 0.00 C ATOM 355 O ALA A 21 -12.961 -8.077 -6.634 1.00 0.00 O ATOM 356 CB ALA A 21 -12.040 -8.734 -4.150 1.00 0.00 C ATOM 0 H ALA A 21 -15.384 -8.984 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.433 -7.147 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.300 -8.072 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.802 -8.881 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.026 -9.696 -4.663 1.00 0.00 H new ATOM 362 N LYS A 22 -14.998 -7.505 -6.061 1.00 0.00 N ATOM 363 CA LYS A 22 -15.378 -7.293 -7.496 1.00 0.00 C ATOM 364 C LYS A 22 -16.521 -6.273 -7.634 1.00 0.00 C ATOM 365 O LYS A 22 -16.799 -5.808 -8.722 1.00 0.00 O ATOM 366 CB LYS A 22 -15.812 -8.628 -8.101 1.00 0.00 C ATOM 367 CG LYS A 22 -17.070 -9.134 -7.387 1.00 0.00 C ATOM 368 CD LYS A 22 -17.345 -10.582 -7.798 1.00 0.00 C ATOM 369 CE LYS A 22 -18.707 -11.017 -7.257 1.00 0.00 C ATOM 370 NZ LYS A 22 -19.787 -10.289 -7.983 1.00 0.00 N ATOM 0 H LYS A 22 -15.739 -7.329 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.510 -6.899 -8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.010 -8.508 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.009 -9.359 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.938 -9.071 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.923 -8.505 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.328 -10.672 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.563 -11.235 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.832 -12.093 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.769 -10.810 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.678 -10.820 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.909 -9.344 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.528 -10.195 -8.986 1.00 0.00 H new ATOM 384 N ASP A 23 -17.178 -5.907 -6.555 1.00 0.00 N ATOM 385 CA ASP A 23 -18.290 -4.903 -6.638 1.00 0.00 C ATOM 386 C ASP A 23 -17.775 -3.575 -6.092 1.00 0.00 C ATOM 387 O ASP A 23 -18.402 -2.934 -5.272 1.00 0.00 O ATOM 388 CB ASP A 23 -19.478 -5.383 -5.794 1.00 0.00 C ATOM 389 CG ASP A 23 -19.734 -6.865 -6.071 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.221 -7.173 -7.146 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.437 -7.670 -5.202 1.00 0.00 O ATOM 0 H ASP A 23 -16.990 -6.262 -5.617 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.616 -4.784 -7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.271 -5.231 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.367 -4.799 -6.032 1.00 0.00 H new ATOM 396 N TRP A 24 -16.626 -3.167 -6.545 1.00 0.00 N ATOM 397 CA TRP A 24 -16.038 -1.888 -6.065 1.00 0.00 C ATOM 398 C TRP A 24 -16.961 -0.729 -6.424 1.00 0.00 C ATOM 399 O TRP A 24 -17.006 0.274 -5.744 1.00 0.00 O ATOM 400 CB TRP A 24 -14.670 -1.693 -6.717 1.00 0.00 C ATOM 401 CG TRP A 24 -13.794 -2.822 -6.308 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.447 -3.877 -7.080 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.164 -3.025 -5.024 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.637 -4.720 -6.338 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.434 -4.233 -5.058 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.161 -2.273 -3.842 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.723 -4.681 -3.945 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.449 -2.715 -2.724 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.732 -3.917 -2.772 1.00 0.00 C ATOM 0 H TRP A 24 -16.064 -3.668 -7.233 1.00 0.00 H new ATOM 0 HA TRP A 24 -15.922 -1.919 -4.982 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.767 -1.662 -7.802 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.234 -0.743 -6.408 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.751 -4.035 -8.104 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.240 -5.591 -6.690 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.713 -1.346 -3.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.171 -5.608 -3.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.452 -2.127 -1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.186 -4.255 -1.904 1.00 0.00 H new ATOM 420 N ILE A 25 -17.705 -0.859 -7.484 1.00 0.00 N ATOM 421 CA ILE A 25 -18.627 0.231 -7.874 1.00 0.00 C ATOM 422 C ILE A 25 -19.673 0.374 -6.779 1.00 0.00 C ATOM 423 O ILE A 25 -20.183 1.444 -6.525 1.00 0.00 O ATOM 424 CB ILE A 25 -19.309 -0.126 -9.202 1.00 0.00 C ATOM 425 CG1 ILE A 25 -19.754 -1.592 -9.178 1.00 0.00 C ATOM 426 CG2 ILE A 25 -18.329 0.084 -10.359 1.00 0.00 C ATOM 427 CD1 ILE A 25 -20.654 -1.872 -10.383 1.00 0.00 C ATOM 0 H ILE A 25 -17.712 -1.675 -8.096 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.083 1.167 -8.000 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.179 0.517 -9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.884 -2.248 -9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -20.290 -1.805 -8.253 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -18.817 -0.171 -11.300 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.014 1.127 -10.384 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -17.457 -0.555 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -20.971 -2.915 -10.366 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.531 -1.226 -10.340 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.103 -1.675 -11.302 1.00 0.00 H new ATOM 439 N ARG A 26 -19.988 -0.705 -6.119 1.00 0.00 N ATOM 440 CA ARG A 26 -20.994 -0.646 -5.034 1.00 0.00 C ATOM 441 C ARG A 26 -20.324 -0.041 -3.800 1.00 0.00 C ATOM 442 O ARG A 26 -20.806 0.904 -3.207 1.00 0.00 O ATOM 443 CB ARG A 26 -21.501 -2.074 -4.732 1.00 0.00 C ATOM 444 CG ARG A 26 -22.927 -2.034 -4.161 1.00 0.00 C ATOM 445 CD ARG A 26 -22.991 -1.087 -2.958 1.00 0.00 C ATOM 446 NE ARG A 26 -24.250 -1.348 -2.196 1.00 0.00 N ATOM 447 CZ ARG A 26 -24.778 -0.417 -1.444 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.208 0.754 -1.351 1.00 0.00 N ATOM 449 NH2 ARG A 26 -25.878 -0.659 -0.784 1.00 0.00 N ATOM 0 H ARG A 26 -19.587 -1.628 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.846 -0.032 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.485 -2.671 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -20.833 -2.560 -4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.625 -1.704 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.234 -3.036 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.124 -1.237 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.963 -0.050 -3.294 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.701 -2.260 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.348 0.945 -1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.622 1.478 -0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.325 -1.573 -0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.291 0.066 -0.197 1.00 0.00 H new ATOM 463 N ILE A 27 -19.203 -0.577 -3.418 1.00 0.00 N ATOM 464 CA ILE A 27 -18.497 -0.031 -2.237 1.00 0.00 C ATOM 465 C ILE A 27 -18.210 1.454 -2.461 1.00 0.00 C ATOM 466 O ILE A 27 -18.181 2.242 -1.535 1.00 0.00 O ATOM 467 CB ILE A 27 -17.175 -0.774 -2.037 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.450 -2.274 -1.907 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.498 -0.265 -0.764 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.129 -3.047 -1.937 1.00 0.00 C ATOM 0 H ILE A 27 -18.747 -1.368 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.122 -0.158 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.522 -0.599 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.980 -2.477 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.095 -2.607 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.555 -0.792 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.306 0.804 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.150 -0.443 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.330 -4.114 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.616 -2.855 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.499 -2.723 -1.109 1.00 0.00 H new ATOM 482 N SER A 28 -17.995 1.838 -3.689 1.00 0.00 N ATOM 483 CA SER A 28 -17.704 3.268 -3.981 1.00 0.00 C ATOM 484 C SER A 28 -18.986 4.087 -3.835 1.00 0.00 C ATOM 485 O SER A 28 -18.950 5.250 -3.489 1.00 0.00 O ATOM 486 CB SER A 28 -17.157 3.396 -5.403 1.00 0.00 C ATOM 487 OG SER A 28 -15.837 2.873 -5.445 1.00 0.00 O ATOM 0 H SER A 28 -18.008 1.223 -4.502 1.00 0.00 H new ATOM 0 HA SER A 28 -16.960 3.643 -3.279 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.797 2.857 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.157 4.441 -5.713 1.00 0.00 H new ATOM 0 HG SER A 28 -15.874 1.895 -5.486 1.00 0.00 H new ATOM 493 N GLN A 29 -20.123 3.492 -4.078 1.00 0.00 N ATOM 494 CA GLN A 29 -21.391 4.261 -3.927 1.00 0.00 C ATOM 495 C GLN A 29 -21.512 4.695 -2.468 1.00 0.00 C ATOM 496 O GLN A 29 -21.889 5.811 -2.169 1.00 0.00 O ATOM 497 CB GLN A 29 -22.593 3.387 -4.323 1.00 0.00 C ATOM 498 CG GLN A 29 -22.692 3.291 -5.857 1.00 0.00 C ATOM 499 CD GLN A 29 -23.374 4.543 -6.421 1.00 0.00 C ATOM 500 OE1 GLN A 29 -22.846 5.192 -7.302 1.00 0.00 O ATOM 501 NE2 GLN A 29 -24.532 4.910 -5.945 1.00 0.00 N ATOM 0 H GLN A 29 -20.229 2.521 -4.370 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.380 5.135 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.486 2.391 -3.894 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.511 3.811 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.696 3.185 -6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.257 2.402 -6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.975 4.365 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -24.994 5.742 -6.313 1.00 0.00 H new ATOM 510 N LEU A 30 -21.168 3.827 -1.555 1.00 0.00 N ATOM 511 CA LEU A 30 -21.238 4.203 -0.116 1.00 0.00 C ATOM 512 C LEU A 30 -20.325 5.407 0.107 1.00 0.00 C ATOM 513 O LEU A 30 -20.730 6.416 0.648 1.00 0.00 O ATOM 514 CB LEU A 30 -20.753 3.038 0.754 1.00 0.00 C ATOM 515 CG LEU A 30 -21.542 1.761 0.428 1.00 0.00 C ATOM 516 CD1 LEU A 30 -20.866 0.567 1.109 1.00 0.00 C ATOM 517 CD2 LEU A 30 -22.991 1.886 0.934 1.00 0.00 C ATOM 0 H LEU A 30 -20.843 2.879 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.266 4.443 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.689 2.869 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.873 3.288 1.808 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.557 1.615 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.421 -0.343 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.844 0.470 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -20.852 0.724 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.539 0.974 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -22.988 2.037 2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.473 2.736 0.451 1.00 0.00 H new ATOM 529 N MET A 31 -19.087 5.298 -0.318 1.00 0.00 N ATOM 530 CA MET A 31 -18.104 6.420 -0.156 1.00 0.00 C ATOM 531 C MET A 31 -17.676 6.922 -1.537 1.00 0.00 C ATOM 532 O MET A 31 -16.562 6.709 -1.966 1.00 0.00 O ATOM 533 CB MET A 31 -16.874 5.907 0.596 1.00 0.00 C ATOM 534 CG MET A 31 -17.265 5.549 2.030 1.00 0.00 C ATOM 535 SD MET A 31 -15.775 5.171 2.985 1.00 0.00 S ATOM 536 CE MET A 31 -16.595 4.847 4.565 1.00 0.00 C ATOM 0 H MET A 31 -18.711 4.468 -0.776 1.00 0.00 H new ATOM 0 HA MET A 31 -18.566 7.234 0.403 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.464 5.033 0.091 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.094 6.668 0.600 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.804 6.378 2.489 1.00 0.00 H new ATOM 0 HG3 MET A 31 -17.938 4.692 2.032 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.003 5.272 5.376 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.585 5.303 4.561 1.00 0.00 H new ATOM 0 HE3 MET A 31 -16.691 3.771 4.711 1.00 0.00 H new ATOM 546 N ILE A 32 -18.554 7.588 -2.237 1.00 0.00 N ATOM 547 CA ILE A 32 -18.193 8.102 -3.592 1.00 0.00 C ATOM 548 C ILE A 32 -16.987 9.042 -3.490 1.00 0.00 C ATOM 549 O ILE A 32 -16.513 9.565 -4.479 1.00 0.00 O ATOM 550 CB ILE A 32 -19.390 8.849 -4.211 1.00 0.00 C ATOM 551 CG1 ILE A 32 -20.012 9.834 -3.199 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.458 7.836 -4.630 1.00 0.00 C ATOM 553 CD1 ILE A 32 -19.053 10.995 -2.887 1.00 0.00 C ATOM 0 H ILE A 32 -19.504 7.799 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.934 7.259 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.033 9.409 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.946 10.229 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -20.258 9.305 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.306 8.362 -5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.039 7.148 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.791 7.276 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -19.521 11.671 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -18.130 10.600 -2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.828 11.538 -3.805 1.00 0.00 H new ATOM 565 N THR A 33 -16.486 9.263 -2.304 1.00 0.00 N ATOM 566 CA THR A 33 -15.314 10.168 -2.147 1.00 0.00 C ATOM 567 C THR A 33 -14.067 9.492 -2.726 1.00 0.00 C ATOM 568 O THR A 33 -12.990 10.055 -2.732 1.00 0.00 O ATOM 569 CB THR A 33 -15.101 10.461 -0.655 1.00 0.00 C ATOM 570 OG1 THR A 33 -16.324 10.906 -0.087 1.00 0.00 O ATOM 571 CG2 THR A 33 -14.030 11.545 -0.469 1.00 0.00 C ATOM 0 H THR A 33 -16.839 8.855 -1.438 1.00 0.00 H new ATOM 0 HA THR A 33 -15.494 11.102 -2.679 1.00 0.00 H new ATOM 0 HB THR A 33 -14.768 9.549 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.193 11.093 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.891 11.741 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.089 11.205 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.348 12.460 -0.968 1.00 0.00 H new ATOM 579 N ARG A 34 -14.204 8.285 -3.217 1.00 0.00 N ATOM 580 CA ARG A 34 -13.028 7.560 -3.802 1.00 0.00 C ATOM 581 C ARG A 34 -13.492 6.734 -5.002 1.00 0.00 C ATOM 582 O ARG A 34 -14.662 6.444 -5.151 1.00 0.00 O ATOM 583 CB ARG A 34 -12.433 6.628 -2.735 1.00 0.00 C ATOM 584 CG ARG A 34 -13.441 5.502 -2.382 1.00 0.00 C ATOM 585 CD ARG A 34 -13.324 5.122 -0.899 1.00 0.00 C ATOM 586 NE ARG A 34 -14.272 4.013 -0.595 1.00 0.00 N ATOM 587 CZ ARG A 34 -14.364 3.547 0.622 1.00 0.00 C ATOM 588 NH1 ARG A 34 -13.626 4.053 1.572 1.00 0.00 N ATOM 589 NH2 ARG A 34 -15.194 2.576 0.888 1.00 0.00 N ATOM 0 H ARG A 34 -15.082 7.767 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.272 8.276 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.503 6.192 -3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.187 7.199 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.456 5.833 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.251 4.627 -3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.303 4.815 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.545 5.986 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.849 3.618 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.977 4.812 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.698 3.689 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.771 2.181 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.266 2.212 1.838 1.00 0.00 H new ATOM 603 N ASN A 35 -12.582 6.353 -5.865 1.00 0.00 N ATOM 604 CA ASN A 35 -12.968 5.547 -7.065 1.00 0.00 C ATOM 605 C ASN A 35 -12.858 4.054 -6.728 1.00 0.00 C ATOM 606 O ASN A 35 -12.102 3.670 -5.862 1.00 0.00 O ATOM 607 CB ASN A 35 -12.020 5.903 -8.228 1.00 0.00 C ATOM 608 CG ASN A 35 -12.477 7.205 -8.896 1.00 0.00 C ATOM 609 OD1 ASN A 35 -12.107 8.281 -8.472 1.00 0.00 O ATOM 610 ND2 ASN A 35 -13.272 7.148 -9.930 1.00 0.00 N ATOM 0 H ASN A 35 -11.587 6.566 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.995 5.768 -7.356 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.001 6.013 -7.857 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.008 5.094 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.583 8.008 -10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.582 6.244 -10.286 1.00 0.00 H new ATOM 617 N PRO A 36 -13.606 3.206 -7.397 1.00 0.00 N ATOM 618 CA PRO A 36 -13.558 1.744 -7.122 1.00 0.00 C ATOM 619 C PRO A 36 -12.117 1.217 -7.159 1.00 0.00 C ATOM 620 O PRO A 36 -11.748 0.330 -6.417 1.00 0.00 O ATOM 621 CB PRO A 36 -14.426 1.107 -8.239 1.00 0.00 C ATOM 622 CG PRO A 36 -14.694 2.203 -9.234 1.00 0.00 C ATOM 623 CD PRO A 36 -14.567 3.522 -8.470 1.00 0.00 C ATOM 0 HA PRO A 36 -13.930 1.499 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.906 0.272 -8.709 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.357 0.713 -7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.982 2.162 -10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.689 2.099 -9.667 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.203 4.324 -9.112 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.526 3.847 -8.067 1.00 0.00 H new ATOM 631 N ARG A 37 -11.310 1.761 -8.024 1.00 0.00 N ATOM 632 CA ARG A 37 -9.899 1.303 -8.122 1.00 0.00 C ATOM 633 C ARG A 37 -9.115 1.776 -6.897 1.00 0.00 C ATOM 634 O ARG A 37 -8.146 1.163 -6.499 1.00 0.00 O ATOM 635 CB ARG A 37 -9.263 1.883 -9.387 1.00 0.00 C ATOM 636 CG ARG A 37 -10.017 1.373 -10.617 1.00 0.00 C ATOM 637 CD ARG A 37 -9.517 2.109 -11.863 1.00 0.00 C ATOM 638 NE ARG A 37 -8.031 2.020 -11.929 1.00 0.00 N ATOM 639 CZ ARG A 37 -7.399 2.419 -13.000 1.00 0.00 C ATOM 640 NH1 ARG A 37 -8.069 2.895 -14.014 1.00 0.00 N ATOM 641 NH2 ARG A 37 -6.099 2.341 -13.056 1.00 0.00 N ATOM 0 H ARG A 37 -11.569 2.507 -8.670 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.876 0.214 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.292 2.972 -9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.214 1.594 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.866 0.300 -10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.088 1.533 -10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.958 1.672 -12.759 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.829 3.153 -11.831 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.507 1.647 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.086 2.955 -13.970 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.575 3.207 -14.850 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.576 1.968 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.605 2.652 -13.892 1.00 0.00 H new ATOM 655 N GLN A 38 -9.515 2.865 -6.296 1.00 0.00 N ATOM 656 CA GLN A 38 -8.769 3.364 -5.108 1.00 0.00 C ATOM 657 C GLN A 38 -8.915 2.381 -3.948 1.00 0.00 C ATOM 658 O GLN A 38 -7.957 2.086 -3.261 1.00 0.00 O ATOM 659 CB GLN A 38 -9.306 4.736 -4.691 1.00 0.00 C ATOM 660 CG GLN A 38 -8.873 5.795 -5.713 1.00 0.00 C ATOM 661 CD GLN A 38 -7.382 6.100 -5.540 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.544 5.446 -6.128 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.015 7.072 -4.750 1.00 0.00 N ATOM 0 H GLN A 38 -10.320 3.426 -6.575 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.715 3.456 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.393 4.706 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.932 4.998 -3.701 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.066 5.438 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.458 6.705 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.719 7.621 -4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.025 7.282 -4.626 1.00 0.00 H new ATOM 672 N CYS A 39 -10.092 1.856 -3.713 1.00 0.00 N ATOM 673 CA CYS A 39 -10.237 0.893 -2.589 1.00 0.00 C ATOM 674 C CYS A 39 -9.696 -0.454 -3.035 1.00 0.00 C ATOM 675 O CYS A 39 -9.142 -1.205 -2.255 1.00 0.00 O ATOM 676 CB CYS A 39 -11.704 0.735 -2.219 1.00 0.00 C ATOM 677 SG CYS A 39 -12.404 2.346 -1.808 1.00 0.00 S ATOM 0 H CYS A 39 -10.942 2.050 -4.242 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.688 1.262 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.253 0.290 -3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.804 0.057 -1.371 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.509 2.521 -2.470 1.00 0.00 H new ATOM 683 N ARG A 40 -9.849 -0.768 -4.288 1.00 0.00 N ATOM 684 CA ARG A 40 -9.335 -2.071 -4.775 1.00 0.00 C ATOM 685 C ARG A 40 -7.818 -2.075 -4.639 1.00 0.00 C ATOM 686 O ARG A 40 -7.230 -3.028 -4.171 1.00 0.00 O ATOM 687 CB ARG A 40 -9.717 -2.279 -6.238 1.00 0.00 C ATOM 688 CG ARG A 40 -9.393 -3.720 -6.635 1.00 0.00 C ATOM 689 CD ARG A 40 -9.829 -3.961 -8.076 1.00 0.00 C ATOM 690 NE ARG A 40 -9.578 -5.384 -8.442 1.00 0.00 N ATOM 691 CZ ARG A 40 -10.118 -5.887 -9.519 1.00 0.00 C ATOM 692 NH1 ARG A 40 -10.878 -5.145 -10.277 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.896 -7.133 -9.838 1.00 0.00 N ATOM 0 H ARG A 40 -10.304 -0.184 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.770 -2.878 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.778 -2.078 -6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.171 -1.581 -6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.324 -3.905 -6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.903 -4.415 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.887 -3.727 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.281 -3.300 -8.748 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.984 -5.965 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.051 -4.171 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.299 -5.539 -11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.301 -7.713 -9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.317 -7.527 -10.679 1.00 0.00 H new ATOM 707 N GLU A 41 -7.178 -1.007 -5.037 1.00 0.00 N ATOM 708 CA GLU A 41 -5.691 -0.933 -4.920 1.00 0.00 C ATOM 709 C GLU A 41 -5.279 -1.391 -3.515 1.00 0.00 C ATOM 710 O GLU A 41 -4.211 -1.938 -3.323 1.00 0.00 O ATOM 711 CB GLU A 41 -5.225 0.516 -5.164 1.00 0.00 C ATOM 712 CG GLU A 41 -5.126 0.791 -6.672 1.00 0.00 C ATOM 713 CD GLU A 41 -5.020 2.299 -6.918 1.00 0.00 C ATOM 714 OE1 GLU A 41 -4.686 3.009 -5.984 1.00 0.00 O ATOM 715 OE2 GLU A 41 -5.273 2.716 -8.037 1.00 0.00 O ATOM 0 H GLU A 41 -7.621 -0.181 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.226 -1.581 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.925 1.214 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.256 0.679 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.255 0.283 -7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.002 0.391 -7.182 1.00 0.00 H new ATOM 722 N ARG A 42 -6.124 -1.192 -2.534 1.00 0.00 N ATOM 723 CA ARG A 42 -5.766 -1.646 -1.156 1.00 0.00 C ATOM 724 C ARG A 42 -5.940 -3.164 -1.070 1.00 0.00 C ATOM 725 O ARG A 42 -5.165 -3.854 -0.442 1.00 0.00 O ATOM 726 CB ARG A 42 -6.682 -0.982 -0.129 1.00 0.00 C ATOM 727 CG ARG A 42 -6.565 0.547 -0.213 1.00 0.00 C ATOM 728 CD ARG A 42 -5.117 0.997 0.053 1.00 0.00 C ATOM 729 NE ARG A 42 -5.122 2.404 0.551 1.00 0.00 N ATOM 730 CZ ARG A 42 -4.065 2.895 1.140 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.000 2.157 1.291 1.00 0.00 N ATOM 732 NH2 ARG A 42 -4.073 4.124 1.576 1.00 0.00 N ATOM 0 H ARG A 42 -7.034 -0.741 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.732 -1.371 -0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.714 -1.284 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.418 -1.318 0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.882 0.887 -1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.234 1.008 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.649 0.341 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.528 0.925 -0.861 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.953 2.983 0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.993 1.196 0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.175 2.541 1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.905 4.702 1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.247 4.507 2.036 1.00 0.00 H new ATOM 746 N TRP A 43 -6.964 -3.687 -1.691 1.00 0.00 N ATOM 747 CA TRP A 43 -7.208 -5.163 -1.643 1.00 0.00 C ATOM 748 C TRP A 43 -5.912 -5.924 -1.899 1.00 0.00 C ATOM 749 O TRP A 43 -5.473 -6.691 -1.076 1.00 0.00 O ATOM 750 CB TRP A 43 -8.216 -5.510 -2.748 1.00 0.00 C ATOM 751 CG TRP A 43 -8.586 -6.963 -2.726 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.953 -7.672 -1.632 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.655 -7.889 -3.850 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.234 -8.972 -2.014 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.066 -9.154 -3.372 1.00 0.00 C ATOM 756 CE3 TRP A 43 -8.401 -7.751 -5.227 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.217 -10.246 -4.228 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -8.553 -8.848 -6.092 1.00 0.00 C ATOM 759 CH2 TRP A 43 -8.960 -10.093 -5.593 1.00 0.00 C ATOM 0 H TRP A 43 -7.646 -3.155 -2.232 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.589 -5.442 -0.661 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.114 -4.904 -2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.792 -5.257 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.016 -7.286 -0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.529 -9.706 -1.371 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.087 -6.796 -5.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.530 -11.203 -3.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.355 -8.731 -7.147 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.075 -10.933 -6.262 1.00 0.00 H new ATOM 770 N ASN A 44 -5.291 -5.702 -3.018 1.00 0.00 N ATOM 771 CA ASN A 44 -4.021 -6.424 -3.328 1.00 0.00 C ATOM 772 C ASN A 44 -2.847 -5.814 -2.553 1.00 0.00 C ATOM 773 O ASN A 44 -1.921 -6.507 -2.181 1.00 0.00 O ATOM 774 CB ASN A 44 -3.759 -6.334 -4.842 1.00 0.00 C ATOM 775 CG ASN A 44 -4.136 -4.937 -5.344 1.00 0.00 C ATOM 776 OD1 ASN A 44 -3.372 -4.003 -5.205 1.00 0.00 O ATOM 777 ND2 ASN A 44 -5.292 -4.755 -5.928 1.00 0.00 N ATOM 0 H ASN A 44 -5.605 -5.050 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.116 -7.467 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.709 -6.537 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.341 -7.090 -5.368 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.552 -3.829 -6.267 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.934 -5.539 -6.045 1.00 0.00 H new ATOM 784 N ASN A 45 -2.862 -4.528 -2.320 1.00 0.00 N ATOM 785 CA ASN A 45 -1.728 -3.882 -1.584 1.00 0.00 C ATOM 786 C ASN A 45 -2.027 -3.816 -0.085 1.00 0.00 C ATOM 787 O ASN A 45 -1.398 -3.070 0.639 1.00 0.00 O ATOM 788 CB ASN A 45 -1.526 -2.463 -2.118 1.00 0.00 C ATOM 789 CG ASN A 45 -1.437 -2.499 -3.645 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.906 -3.432 -4.212 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.939 -1.514 -4.338 1.00 0.00 N ATOM 0 H ASN A 45 -3.609 -3.895 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.826 -4.475 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.353 -1.825 -1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.616 -2.032 -1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.885 -1.528 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.385 -0.730 -3.861 1.00 0.00 H new ATOM 798 N TYR A 46 -2.968 -4.586 0.403 1.00 0.00 N ATOM 799 CA TYR A 46 -3.267 -4.544 1.870 1.00 0.00 C ATOM 800 C TYR A 46 -3.824 -5.901 2.331 1.00 0.00 C ATOM 801 O TYR A 46 -3.284 -6.509 3.234 1.00 0.00 O ATOM 802 CB TYR A 46 -4.263 -3.394 2.161 1.00 0.00 C ATOM 803 CG TYR A 46 -3.909 -2.714 3.478 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.886 -3.462 4.660 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.603 -1.343 3.515 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.561 -2.848 5.875 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.277 -0.730 4.731 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.257 -1.482 5.911 1.00 0.00 C ATOM 809 OH TYR A 46 -2.937 -0.878 7.109 1.00 0.00 O ATOM 0 H TYR A 46 -3.536 -5.234 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.351 -4.353 2.429 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.238 -2.667 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.279 -3.786 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.120 -4.516 4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.619 -0.762 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.545 -3.429 6.786 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.041 0.324 4.758 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.752 0.072 6.957 1.00 0.00 H new ATOM 819 N ILE A 47 -4.884 -6.393 1.725 1.00 0.00 N ATOM 820 CA ILE A 47 -5.443 -7.725 2.152 1.00 0.00 C ATOM 821 C ILE A 47 -6.005 -8.502 0.943 1.00 0.00 C ATOM 822 O ILE A 47 -6.904 -8.066 0.251 1.00 0.00 O ATOM 823 CB ILE A 47 -6.517 -7.556 3.280 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.946 -7.274 2.748 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.119 -6.413 4.219 1.00 0.00 C ATOM 826 CD1 ILE A 47 -8.025 -5.920 2.027 1.00 0.00 C ATOM 0 H ILE A 47 -5.383 -5.937 0.961 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.626 -8.313 2.570 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.545 -8.511 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.243 -8.069 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.653 -7.287 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.872 -6.304 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.154 -6.636 4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.047 -5.485 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.041 -5.758 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.753 -5.123 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.337 -5.917 1.181 1.00 0.00 H new ATOM 838 N ASN A 48 -5.458 -9.669 0.711 1.00 0.00 N ATOM 839 CA ASN A 48 -5.914 -10.553 -0.409 1.00 0.00 C ATOM 840 C ASN A 48 -5.067 -11.843 -0.403 1.00 0.00 C ATOM 841 O ASN A 48 -5.603 -12.931 -0.483 1.00 0.00 O ATOM 842 CB ASN A 48 -5.817 -9.809 -1.779 1.00 0.00 C ATOM 843 CG ASN A 48 -4.894 -10.530 -2.779 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.236 -11.574 -3.297 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.734 -10.005 -3.069 1.00 0.00 N ATOM 0 H ASN A 48 -4.694 -10.057 1.265 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.962 -10.817 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.814 -9.718 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.448 -8.797 -1.614 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.114 -10.472 -3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.448 -9.128 -2.633 1.00 0.00 H new ATOM 852 N PRO A 49 -3.756 -11.733 -0.330 1.00 0.00 N ATOM 853 CA PRO A 49 -2.842 -12.899 -0.340 1.00 0.00 C ATOM 854 C PRO A 49 -2.328 -13.260 1.062 1.00 0.00 C ATOM 855 O PRO A 49 -1.642 -14.247 1.237 1.00 0.00 O ATOM 856 CB PRO A 49 -1.700 -12.380 -1.230 1.00 0.00 C ATOM 857 CG PRO A 49 -1.657 -10.878 -0.989 1.00 0.00 C ATOM 858 CD PRO A 49 -2.958 -10.503 -0.231 1.00 0.00 C ATOM 0 HA PRO A 49 -3.316 -13.816 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.752 -12.848 -0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.886 -12.605 -2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.778 -10.606 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.591 -10.338 -1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.759 -10.232 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.464 -9.654 -0.691 1.00 0.00 H new ATOM 866 N ALA A 50 -2.633 -12.461 2.053 1.00 0.00 N ATOM 867 CA ALA A 50 -2.143 -12.749 3.434 1.00 0.00 C ATOM 868 C ALA A 50 -0.639 -12.466 3.474 1.00 0.00 C ATOM 869 O ALA A 50 0.168 -13.325 3.770 1.00 0.00 O ATOM 870 CB ALA A 50 -2.438 -14.217 3.809 1.00 0.00 C ATOM 0 H ALA A 50 -3.202 -11.619 1.964 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.655 -12.116 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.076 -14.415 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.513 -14.394 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.934 -14.880 3.106 1.00 0.00 H new ATOM 876 N LEU A 51 -0.267 -11.256 3.156 1.00 0.00 N ATOM 877 CA LEU A 51 1.177 -10.869 3.142 1.00 0.00 C ATOM 878 C LEU A 51 1.575 -10.319 4.517 1.00 0.00 C ATOM 879 O LEU A 51 2.452 -9.487 4.635 1.00 0.00 O ATOM 880 CB LEU A 51 1.411 -9.805 2.042 1.00 0.00 C ATOM 881 CG LEU A 51 0.184 -8.887 1.901 1.00 0.00 C ATOM 882 CD1 LEU A 51 -0.119 -8.198 3.236 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.467 -7.828 0.828 1.00 0.00 C ATOM 0 H LEU A 51 -0.911 -10.507 2.901 1.00 0.00 H new ATOM 0 HA LEU A 51 1.793 -11.742 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.290 -9.209 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.614 -10.297 1.091 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.680 -9.486 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.989 -7.551 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.324 -8.952 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.740 -7.600 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.399 -7.175 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.334 -7.236 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.667 -8.319 -0.124 1.00 0.00 H new ATOM 895 N ARG A 52 0.943 -10.786 5.558 1.00 0.00 N ATOM 896 CA ARG A 52 1.296 -10.294 6.919 1.00 0.00 C ATOM 897 C ARG A 52 2.783 -10.550 7.178 1.00 0.00 C ATOM 898 O ARG A 52 3.324 -10.148 8.190 1.00 0.00 O ATOM 899 CB ARG A 52 0.457 -11.035 7.964 1.00 0.00 C ATOM 900 CG ARG A 52 0.527 -12.541 7.704 1.00 0.00 C ATOM 901 CD ARG A 52 -0.157 -13.290 8.850 1.00 0.00 C ATOM 902 NE ARG A 52 -1.441 -12.612 9.188 1.00 0.00 N ATOM 903 CZ ARG A 52 -2.068 -12.915 10.292 1.00 0.00 C ATOM 904 NH1 ARG A 52 -1.572 -13.812 11.101 1.00 0.00 N ATOM 905 NH2 ARG A 52 -3.192 -12.320 10.587 1.00 0.00 N ATOM 0 H ARG A 52 0.200 -11.484 5.526 1.00 0.00 H new ATOM 0 HA ARG A 52 1.093 -9.225 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.824 -10.811 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.578 -10.696 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.041 -12.780 6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.566 -12.858 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.344 -14.325 8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.495 -13.315 9.723 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.829 -11.911 8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.694 -14.277 10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.063 -14.048 11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.579 -11.619 9.955 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.683 -12.556 11.449 1.00 0.00 H new ATOM 919 N THR A 53 3.450 -11.217 6.270 1.00 0.00 N ATOM 920 CA THR A 53 4.905 -11.500 6.461 1.00 0.00 C ATOM 921 C THR A 53 5.565 -11.735 5.098 1.00 0.00 C ATOM 922 O THR A 53 5.993 -12.829 4.787 1.00 0.00 O ATOM 923 CB THR A 53 5.070 -12.750 7.330 1.00 0.00 C ATOM 924 OG1 THR A 53 4.261 -12.627 8.491 1.00 0.00 O ATOM 925 CG2 THR A 53 6.536 -12.900 7.742 1.00 0.00 C ATOM 0 H THR A 53 3.049 -11.578 5.404 1.00 0.00 H new ATOM 0 HA THR A 53 5.379 -10.650 6.951 1.00 0.00 H new ATOM 0 HB THR A 53 4.763 -13.629 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.147 -11.679 8.712 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.651 -13.790 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.157 -12.995 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.846 -12.022 8.309 1.00 0.00 H new ATOM 933 N ASP A 54 5.651 -10.710 4.284 1.00 0.00 N ATOM 934 CA ASP A 54 6.283 -10.842 2.931 1.00 0.00 C ATOM 935 C ASP A 54 7.236 -9.667 2.707 1.00 0.00 C ATOM 936 O ASP A 54 7.009 -8.842 1.851 1.00 0.00 O ATOM 937 CB ASP A 54 5.190 -10.812 1.860 1.00 0.00 C ATOM 938 CG ASP A 54 5.804 -11.120 0.494 1.00 0.00 C ATOM 939 OD1 ASP A 54 6.939 -10.729 0.274 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.129 -11.741 -0.311 1.00 0.00 O ATOM 0 H ASP A 54 5.306 -9.775 4.502 1.00 0.00 H new ATOM 0 HA ASP A 54 6.833 -11.781 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.416 -11.542 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.710 -9.833 1.842 1.00 0.00 H new ATOM 945 N PRO A 55 8.294 -9.581 3.476 1.00 0.00 N ATOM 946 CA PRO A 55 9.279 -8.465 3.353 1.00 0.00 C ATOM 947 C PRO A 55 10.138 -8.584 2.088 1.00 0.00 C ATOM 948 O PRO A 55 10.600 -9.649 1.730 1.00 0.00 O ATOM 949 CB PRO A 55 10.132 -8.606 4.623 1.00 0.00 C ATOM 950 CG PRO A 55 10.092 -10.065 4.926 1.00 0.00 C ATOM 951 CD PRO A 55 8.680 -10.527 4.543 1.00 0.00 C ATOM 0 HA PRO A 55 8.795 -7.492 3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.153 -8.261 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.725 -8.017 5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.849 -10.605 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.293 -10.252 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.676 -11.558 4.188 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.997 -10.479 5.391 1.00 0.00 H new ATOM 959 N TRP A 56 10.347 -7.488 1.414 1.00 0.00 N ATOM 960 CA TRP A 56 11.170 -7.507 0.167 1.00 0.00 C ATOM 961 C TRP A 56 12.660 -7.574 0.531 1.00 0.00 C ATOM 962 O TRP A 56 13.022 -7.694 1.685 1.00 0.00 O ATOM 963 CB TRP A 56 10.874 -6.250 -0.684 1.00 0.00 C ATOM 964 CG TRP A 56 10.523 -5.082 0.189 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.274 -4.773 0.600 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.395 -4.052 0.735 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.316 -3.631 1.377 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.607 -3.142 1.486 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.780 -3.823 0.657 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.178 -2.043 2.131 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.354 -2.720 1.303 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.556 -1.831 2.036 1.00 0.00 C ATOM 0 H TRP A 56 9.981 -6.572 1.673 1.00 0.00 H new ATOM 0 HA TRP A 56 10.913 -8.388 -0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.744 -6.005 -1.293 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.053 -6.456 -1.370 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.382 -5.331 0.359 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.500 -3.203 1.814 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.405 -4.501 0.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.560 -1.363 2.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.419 -2.554 1.236 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.006 -0.981 2.528 1.00 0.00 H new ATOM 983 N SER A 57 13.519 -7.518 -0.463 1.00 0.00 N ATOM 984 CA SER A 57 15.003 -7.598 -0.228 1.00 0.00 C ATOM 985 C SER A 57 15.674 -6.342 -0.822 1.00 0.00 C ATOM 986 O SER A 57 15.008 -5.488 -1.374 1.00 0.00 O ATOM 987 CB SER A 57 15.518 -8.886 -0.912 1.00 0.00 C ATOM 988 OG SER A 57 14.404 -9.707 -1.240 1.00 0.00 O ATOM 0 H SER A 57 13.252 -7.419 -1.442 1.00 0.00 H new ATOM 0 HA SER A 57 15.239 -7.635 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.081 -8.637 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.198 -9.420 -0.248 1.00 0.00 H new ATOM 0 HG SER A 57 14.719 -10.526 -1.676 1.00 0.00 H new ATOM 994 N PRO A 58 16.980 -6.221 -0.707 1.00 0.00 N ATOM 995 CA PRO A 58 17.728 -5.037 -1.240 1.00 0.00 C ATOM 996 C PRO A 58 17.333 -4.686 -2.682 1.00 0.00 C ATOM 997 O PRO A 58 17.595 -3.599 -3.159 1.00 0.00 O ATOM 998 CB PRO A 58 19.196 -5.480 -1.153 1.00 0.00 C ATOM 999 CG PRO A 58 19.222 -6.415 0.011 1.00 0.00 C ATOM 1000 CD PRO A 58 17.898 -7.184 -0.061 1.00 0.00 C ATOM 0 HA PRO A 58 17.515 -4.128 -0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.519 -5.974 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.861 -4.630 -0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.074 -7.092 -0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.311 -5.871 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.996 -8.100 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.546 -7.473 0.929 1.00 0.00 H new ATOM 1008 N GLU A 59 16.696 -5.591 -3.371 1.00 0.00 N ATOM 1009 CA GLU A 59 16.275 -5.311 -4.764 1.00 0.00 C ATOM 1010 C GLU A 59 15.301 -4.144 -4.734 1.00 0.00 C ATOM 1011 O GLU A 59 15.428 -3.199 -5.486 1.00 0.00 O ATOM 1012 CB GLU A 59 15.586 -6.543 -5.353 1.00 0.00 C ATOM 1013 CG GLU A 59 16.527 -7.748 -5.266 1.00 0.00 C ATOM 1014 CD GLU A 59 17.724 -7.529 -6.193 1.00 0.00 C ATOM 1015 OE1 GLU A 59 17.520 -7.016 -7.280 1.00 0.00 O ATOM 1016 OE2 GLU A 59 18.824 -7.877 -5.798 1.00 0.00 O ATOM 0 H GLU A 59 16.449 -6.518 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 59 17.141 -5.068 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.663 -6.750 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.312 -6.357 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.868 -7.883 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.997 -8.658 -5.548 1.00 0.00 H new ATOM 1023 N GLU A 60 14.340 -4.183 -3.850 1.00 0.00 N ATOM 1024 CA GLU A 60 13.388 -3.052 -3.770 1.00 0.00 C ATOM 1025 C GLU A 60 14.125 -1.858 -3.174 1.00 0.00 C ATOM 1026 O GLU A 60 13.916 -0.742 -3.565 1.00 0.00 O ATOM 1027 CB GLU A 60 12.192 -3.426 -2.888 1.00 0.00 C ATOM 1028 CG GLU A 60 11.283 -4.406 -3.637 1.00 0.00 C ATOM 1029 CD GLU A 60 10.565 -3.678 -4.776 1.00 0.00 C ATOM 1030 OE1 GLU A 60 10.646 -2.462 -4.819 1.00 0.00 O ATOM 1031 OE2 GLU A 60 9.947 -4.350 -5.585 1.00 0.00 O ATOM 0 H GLU A 60 14.179 -4.943 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 60 13.011 -2.807 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.540 -3.876 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.633 -2.530 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.873 -5.232 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.554 -4.837 -2.951 1.00 0.00 H new ATOM 1038 N ASP A 61 15.007 -2.085 -2.238 1.00 0.00 N ATOM 1039 CA ASP A 61 15.759 -0.944 -1.642 1.00 0.00 C ATOM 1040 C ASP A 61 16.458 -0.159 -2.756 1.00 0.00 C ATOM 1041 O ASP A 61 16.350 1.048 -2.843 1.00 0.00 O ATOM 1042 CB ASP A 61 16.812 -1.475 -0.660 1.00 0.00 C ATOM 1043 CG ASP A 61 17.335 -0.327 0.207 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.545 0.243 0.941 1.00 0.00 O ATOM 1045 OD2 ASP A 61 18.517 -0.038 0.122 1.00 0.00 O ATOM 0 H ASP A 61 15.238 -3.005 -1.862 1.00 0.00 H new ATOM 0 HA ASP A 61 15.065 -0.292 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.377 -2.250 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.635 -1.934 -1.208 1.00 0.00 H new ATOM 1050 N MET A 62 17.184 -0.839 -3.601 1.00 0.00 N ATOM 1051 CA MET A 62 17.903 -0.144 -4.700 1.00 0.00 C ATOM 1052 C MET A 62 16.907 0.328 -5.759 1.00 0.00 C ATOM 1053 O MET A 62 17.031 1.409 -6.299 1.00 0.00 O ATOM 1054 CB MET A 62 18.908 -1.104 -5.340 1.00 0.00 C ATOM 1055 CG MET A 62 19.912 -1.572 -4.284 1.00 0.00 C ATOM 1056 SD MET A 62 20.973 -0.186 -3.806 1.00 0.00 S ATOM 1057 CE MET A 62 21.594 -0.899 -2.262 1.00 0.00 C ATOM 0 H MET A 62 17.309 -1.851 -3.575 1.00 0.00 H new ATOM 0 HA MET A 62 18.429 0.719 -4.292 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.387 -1.961 -5.767 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.430 -0.608 -6.159 1.00 0.00 H new ATOM 0 HG2 MET A 62 19.385 -1.958 -3.412 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.517 -2.388 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 62 22.282 -0.198 -1.788 1.00 0.00 H new ATOM 0 HE2 MET A 62 20.758 -1.097 -1.591 1.00 0.00 H new ATOM 0 HE3 MET A 62 22.116 -1.831 -2.476 1.00 0.00 H new ATOM 1067 N LEU A 63 15.919 -0.471 -6.065 1.00 0.00 N ATOM 1068 CA LEU A 63 14.924 -0.049 -7.098 1.00 0.00 C ATOM 1069 C LEU A 63 13.959 0.969 -6.485 1.00 0.00 C ATOM 1070 O LEU A 63 13.300 1.713 -7.185 1.00 0.00 O ATOM 1071 CB LEU A 63 14.138 -1.269 -7.594 1.00 0.00 C ATOM 1072 CG LEU A 63 15.090 -2.296 -8.246 1.00 0.00 C ATOM 1073 CD1 LEU A 63 14.399 -3.663 -8.318 1.00 0.00 C ATOM 1074 CD2 LEU A 63 15.469 -1.854 -9.671 1.00 0.00 C ATOM 0 H LEU A 63 15.757 -1.389 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 63 15.447 0.404 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.609 -1.732 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.383 -0.955 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 63 15.993 -2.363 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.072 -4.387 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.143 -3.995 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.491 -3.581 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.140 -2.590 -10.114 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.568 -1.773 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.968 -0.886 -9.631 1.00 0.00 H new ATOM 1086 N LEU A 64 13.882 1.018 -5.183 1.00 0.00 N ATOM 1087 CA LEU A 64 12.972 1.996 -4.519 1.00 0.00 C ATOM 1088 C LEU A 64 13.649 3.360 -4.541 1.00 0.00 C ATOM 1089 O LEU A 64 13.028 4.365 -4.794 1.00 0.00 O ATOM 1090 CB LEU A 64 12.709 1.561 -3.069 1.00 0.00 C ATOM 1091 CG LEU A 64 11.931 2.641 -2.298 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.626 2.984 -3.043 1.00 0.00 C ATOM 1093 CD2 LEU A 64 11.607 2.112 -0.890 1.00 0.00 C ATOM 0 H LEU A 64 14.412 0.421 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 64 12.017 2.043 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.145 0.628 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.657 1.364 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 64 12.536 3.544 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.082 3.749 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.863 3.356 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.009 2.089 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.055 2.870 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.002 1.209 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.534 1.881 -0.366 1.00 0.00 H new ATOM 1105 N ASP A 65 14.930 3.406 -4.295 1.00 0.00 N ATOM 1106 CA ASP A 65 15.642 4.715 -4.326 1.00 0.00 C ATOM 1107 C ASP A 65 15.292 5.430 -5.632 1.00 0.00 C ATOM 1108 O ASP A 65 15.230 6.641 -5.698 1.00 0.00 O ATOM 1109 CB ASP A 65 17.151 4.477 -4.260 1.00 0.00 C ATOM 1110 CG ASP A 65 17.871 5.808 -4.041 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.365 6.614 -3.277 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.916 5.999 -4.640 1.00 0.00 O ATOM 0 H ASP A 65 15.512 2.598 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 65 15.340 5.325 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.385 3.787 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.497 4.013 -5.183 1.00 0.00 H new ATOM 1117 N GLN A 66 15.051 4.674 -6.670 1.00 0.00 N ATOM 1118 CA GLN A 66 14.690 5.286 -7.981 1.00 0.00 C ATOM 1119 C GLN A 66 13.213 5.693 -7.981 1.00 0.00 C ATOM 1120 O GLN A 66 12.855 6.761 -8.436 1.00 0.00 O ATOM 1121 CB GLN A 66 14.938 4.273 -9.101 1.00 0.00 C ATOM 1122 CG GLN A 66 16.409 3.853 -9.095 1.00 0.00 C ATOM 1123 CD GLN A 66 17.279 5.034 -9.528 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.784 6.001 -10.072 1.00 0.00 O ATOM 1125 NE2 GLN A 66 18.566 4.996 -9.311 1.00 0.00 N ATOM 0 H GLN A 66 15.089 3.655 -6.666 1.00 0.00 H new ATOM 0 HA GLN A 66 15.305 6.172 -8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.299 3.400 -8.964 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.678 4.710 -10.065 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.699 3.520 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.560 3.010 -9.769 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.982 4.185 -8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 66 19.155 5.778 -9.598 1.00 0.00 H new ATOM 1134 N LYS A 67 12.350 4.847 -7.485 1.00 0.00 N ATOM 1135 CA LYS A 67 10.895 5.187 -7.468 1.00 0.00 C ATOM 1136 C LYS A 67 10.621 6.214 -6.367 1.00 0.00 C ATOM 1137 O LYS A 67 10.073 7.271 -6.608 1.00 0.00 O ATOM 1138 CB LYS A 67 10.085 3.915 -7.199 1.00 0.00 C ATOM 1139 CG LYS A 67 10.403 2.871 -8.271 1.00 0.00 C ATOM 1140 CD LYS A 67 9.737 1.542 -7.903 1.00 0.00 C ATOM 1141 CE LYS A 67 10.083 0.488 -8.956 1.00 0.00 C ATOM 1142 NZ LYS A 67 9.590 0.937 -10.289 1.00 0.00 N ATOM 0 H LYS A 67 12.588 3.937 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 67 10.605 5.608 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.324 3.521 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.019 4.142 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.046 3.212 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.482 2.738 -8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.075 1.214 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.656 1.669 -7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.161 0.332 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.630 -0.468 -8.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.527 0.120 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.649 1.368 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.249 1.637 -10.685 1.00 0.00 H new ATOM 1156 N TYR A 68 11.011 5.912 -5.160 1.00 0.00 N ATOM 1157 CA TYR A 68 10.796 6.863 -4.028 1.00 0.00 C ATOM 1158 C TYR A 68 11.313 8.247 -4.437 1.00 0.00 C ATOM 1159 O TYR A 68 10.662 9.253 -4.241 1.00 0.00 O ATOM 1160 CB TYR A 68 11.567 6.343 -2.798 1.00 0.00 C ATOM 1161 CG TYR A 68 11.744 7.442 -1.770 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.780 8.370 -1.922 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.877 7.532 -0.674 1.00 0.00 C ATOM 1164 CE1 TYR A 68 12.951 9.390 -0.980 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.048 8.552 0.269 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.085 9.481 0.116 1.00 0.00 C ATOM 1167 OH TYR A 68 12.252 10.486 1.046 1.00 0.00 O ATOM 0 H TYR A 68 11.474 5.040 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 68 9.737 6.940 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.029 5.506 -2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.542 5.967 -3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.448 8.299 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.078 6.815 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.750 10.107 -1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.380 8.623 1.115 1.00 0.00 H new ATOM 0 HH TYR A 68 11.566 10.405 1.741 1.00 0.00 H new ATOM 1177 N ALA A 69 12.481 8.296 -5.005 1.00 0.00 N ATOM 1178 CA ALA A 69 13.056 9.597 -5.438 1.00 0.00 C ATOM 1179 C ALA A 69 12.020 10.357 -6.273 1.00 0.00 C ATOM 1180 O ALA A 69 11.989 11.570 -6.294 1.00 0.00 O ATOM 1181 CB ALA A 69 14.308 9.329 -6.279 1.00 0.00 C ATOM 0 H ALA A 69 13.069 7.483 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 69 13.322 10.197 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.739 10.277 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.038 8.784 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.039 8.736 -7.153 1.00 0.00 H new ATOM 1187 N GLU A 70 11.172 9.638 -6.962 1.00 0.00 N ATOM 1188 CA GLU A 70 10.128 10.286 -7.806 1.00 0.00 C ATOM 1189 C GLU A 70 8.835 10.449 -7.000 1.00 0.00 C ATOM 1190 O GLU A 70 8.310 11.535 -6.863 1.00 0.00 O ATOM 1191 CB GLU A 70 9.862 9.395 -9.023 1.00 0.00 C ATOM 1192 CG GLU A 70 11.041 9.487 -9.996 1.00 0.00 C ATOM 1193 CD GLU A 70 10.851 8.474 -11.126 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.463 7.354 -10.832 1.00 0.00 O ATOM 1195 OE2 GLU A 70 11.096 8.833 -12.266 1.00 0.00 O ATOM 0 H GLU A 70 11.160 8.618 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 70 10.471 11.269 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.719 8.362 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.943 9.706 -9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.111 10.495 -10.405 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.976 9.291 -9.471 1.00 0.00 H new ATOM 1202 N TYR A 71 8.306 9.366 -6.486 1.00 0.00 N ATOM 1203 CA TYR A 71 7.028 9.442 -5.710 1.00 0.00 C ATOM 1204 C TYR A 71 7.302 9.762 -4.239 1.00 0.00 C ATOM 1205 O TYR A 71 6.607 10.554 -3.634 1.00 0.00 O ATOM 1206 CB TYR A 71 6.294 8.102 -5.826 1.00 0.00 C ATOM 1207 CG TYR A 71 6.376 7.609 -7.254 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.524 8.144 -8.228 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.303 6.620 -7.604 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.600 7.690 -9.551 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.378 6.165 -8.925 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.527 6.701 -9.899 1.00 0.00 C ATOM 1213 OH TYR A 71 6.601 6.253 -11.202 1.00 0.00 O ATOM 0 H TYR A 71 8.704 8.431 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 71 6.410 10.241 -6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.739 7.371 -5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.252 8.218 -5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.808 8.907 -7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.961 6.208 -6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.943 8.103 -10.302 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.092 5.401 -9.193 1.00 0.00 H new ATOM 0 HH TYR A 71 7.297 5.567 -11.273 1.00 0.00 H new ATOM 1223 N GLY A 72 8.299 9.153 -3.654 1.00 0.00 N ATOM 1224 CA GLY A 72 8.613 9.416 -2.211 1.00 0.00 C ATOM 1225 C GLY A 72 7.997 8.293 -1.359 1.00 0.00 C ATOM 1226 O GLY A 72 8.035 7.144 -1.753 1.00 0.00 O ATOM 0 H GLY A 72 8.915 8.481 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.692 9.456 -2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.213 10.383 -1.907 1.00 0.00 H new ATOM 1230 N PRO A 73 7.434 8.588 -0.203 1.00 0.00 N ATOM 1231 CA PRO A 73 6.828 7.536 0.656 1.00 0.00 C ATOM 1232 C PRO A 73 5.413 7.160 0.200 1.00 0.00 C ATOM 1233 O PRO A 73 4.593 6.731 0.987 1.00 0.00 O ATOM 1234 CB PRO A 73 6.814 8.182 2.048 1.00 0.00 C ATOM 1235 CG PRO A 73 6.632 9.647 1.778 1.00 0.00 C ATOM 1236 CD PRO A 73 7.305 9.926 0.417 1.00 0.00 C ATOM 0 HA PRO A 73 7.384 6.599 0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.004 7.787 2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.743 7.989 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.574 9.908 1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.087 10.247 2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.700 10.593 -0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.277 10.402 0.543 1.00 0.00 H new ATOM 1244 N LYS A 74 5.123 7.305 -1.068 1.00 0.00 N ATOM 1245 CA LYS A 74 3.765 6.940 -1.565 1.00 0.00 C ATOM 1246 C LYS A 74 3.715 5.432 -1.793 1.00 0.00 C ATOM 1247 O LYS A 74 3.617 4.965 -2.909 1.00 0.00 O ATOM 1248 CB LYS A 74 3.501 7.658 -2.882 1.00 0.00 C ATOM 1249 CG LYS A 74 3.334 9.157 -2.628 1.00 0.00 C ATOM 1250 CD LYS A 74 2.934 9.855 -3.930 1.00 0.00 C ATOM 1251 CE LYS A 74 2.547 11.306 -3.634 1.00 0.00 C ATOM 1252 NZ LYS A 74 3.739 12.043 -3.126 1.00 0.00 N ATOM 0 H LYS A 74 5.766 7.659 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 74 3.010 7.232 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.327 7.486 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.603 7.257 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.574 9.325 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.265 9.578 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.761 9.826 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.098 9.332 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.168 11.784 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.745 11.337 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.803 12.968 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.649 12.184 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.599 11.493 -3.326 1.00 0.00 H new ATOM 1266 N TRP A 75 3.792 4.667 -0.742 1.00 0.00 N ATOM 1267 CA TRP A 75 3.766 3.188 -0.883 1.00 0.00 C ATOM 1268 C TRP A 75 2.541 2.759 -1.696 1.00 0.00 C ATOM 1269 O TRP A 75 2.393 1.607 -2.052 1.00 0.00 O ATOM 1270 CB TRP A 75 3.734 2.551 0.512 1.00 0.00 C ATOM 1271 CG TRP A 75 4.602 3.342 1.450 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.171 3.913 2.597 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.024 3.670 1.344 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.236 4.540 3.216 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.396 4.427 2.482 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.021 3.386 0.392 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.701 4.880 2.670 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.335 3.843 0.577 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.675 4.588 1.713 1.00 0.00 C ATOM 0 H TRP A 75 3.872 5.007 0.216 1.00 0.00 H new ATOM 0 HA TRP A 75 4.660 2.854 -1.410 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.710 2.522 0.886 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.084 1.520 0.460 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.158 3.884 2.970 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.171 5.028 4.109 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.773 2.812 -0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.957 5.453 3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.090 3.618 -0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.688 4.936 1.849 1.00 0.00 H new ATOM 1290 N ASN A 76 1.673 3.676 -2.005 1.00 0.00 N ATOM 1291 CA ASN A 76 0.470 3.325 -2.809 1.00 0.00 C ATOM 1292 C ASN A 76 0.905 3.111 -4.256 1.00 0.00 C ATOM 1293 O ASN A 76 0.385 2.263 -4.956 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.545 4.469 -2.741 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.760 4.125 -3.605 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.598 4.968 -3.858 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -1.892 2.914 -4.073 1.00 0.00 N ATOM 0 H ASN A 76 1.743 4.657 -1.736 1.00 0.00 H new ATOM 0 HA ASN A 76 0.008 2.419 -2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.854 4.634 -1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.088 5.396 -3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.698 2.676 -4.651 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.189 2.206 -3.861 1.00 0.00 H new ATOM 1304 N LYS A 77 1.870 3.870 -4.705 1.00 0.00 N ATOM 1305 CA LYS A 77 2.368 3.717 -6.099 1.00 0.00 C ATOM 1306 C LYS A 77 3.424 2.616 -6.123 1.00 0.00 C ATOM 1307 O LYS A 77 3.515 1.843 -7.055 1.00 0.00 O ATOM 1308 CB LYS A 77 2.999 5.033 -6.557 1.00 0.00 C ATOM 1309 CG LYS A 77 1.904 6.080 -6.765 1.00 0.00 C ATOM 1310 CD LYS A 77 2.520 7.355 -7.346 1.00 0.00 C ATOM 1311 CE LYS A 77 1.407 8.337 -7.715 1.00 0.00 C ATOM 1312 NZ LYS A 77 0.414 8.403 -6.605 1.00 0.00 N ATOM 0 H LYS A 77 2.337 4.594 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 77 1.544 3.459 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.715 5.383 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.551 4.880 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.140 5.693 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.412 6.300 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.194 7.809 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.115 7.115 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.827 9.326 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.918 8.020 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.055 9.331 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.297 7.655 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.900 8.269 -5.696 1.00 0.00 H new ATOM 1326 N ILE A 78 4.226 2.545 -5.096 1.00 0.00 N ATOM 1327 CA ILE A 78 5.283 1.503 -5.046 1.00 0.00 C ATOM 1328 C ILE A 78 4.631 0.125 -4.914 1.00 0.00 C ATOM 1329 O ILE A 78 4.889 -0.766 -5.690 1.00 0.00 O ATOM 1330 CB ILE A 78 6.188 1.769 -3.835 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.504 3.269 -3.741 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.492 0.979 -3.974 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.001 3.800 -5.090 1.00 0.00 C ATOM 0 H ILE A 78 4.192 3.167 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 78 5.878 1.531 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 78 5.671 1.451 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.612 3.816 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.261 3.440 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.129 1.173 -3.111 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.268 -0.086 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.009 1.287 -4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.220 4.864 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.906 3.266 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.231 3.648 -5.847 1.00 0.00 H new ATOM 1345 N SER A 79 3.790 -0.053 -3.937 1.00 0.00 N ATOM 1346 CA SER A 79 3.121 -1.376 -3.752 1.00 0.00 C ATOM 1347 C SER A 79 2.526 -1.871 -5.074 1.00 0.00 C ATOM 1348 O SER A 79 2.329 -3.054 -5.266 1.00 0.00 O ATOM 1349 CB SER A 79 2.009 -1.245 -2.712 1.00 0.00 C ATOM 1350 OG SER A 79 0.949 -0.469 -3.252 1.00 0.00 O ATOM 0 H SER A 79 3.534 0.660 -3.255 1.00 0.00 H new ATOM 0 HA SER A 79 3.864 -2.097 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.644 -2.232 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.395 -0.775 -1.808 1.00 0.00 H new ATOM 0 HG SER A 79 1.086 0.475 -3.026 1.00 0.00 H new ATOM 1356 N LYS A 80 2.234 -0.986 -5.987 1.00 0.00 N ATOM 1357 CA LYS A 80 1.648 -1.424 -7.286 1.00 0.00 C ATOM 1358 C LYS A 80 2.757 -2.005 -8.158 1.00 0.00 C ATOM 1359 O LYS A 80 2.506 -2.738 -9.094 1.00 0.00 O ATOM 1360 CB LYS A 80 1.001 -0.228 -7.996 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.329 0.117 -7.313 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.907 1.414 -7.898 1.00 0.00 C ATOM 1363 CE LYS A 80 -1.098 1.279 -9.418 1.00 0.00 C ATOM 1364 NZ LYS A 80 -1.575 -0.095 -9.744 1.00 0.00 N ATOM 0 H LYS A 80 2.375 0.020 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 80 0.885 -2.181 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.671 0.632 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.832 -0.464 -9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.038 -0.699 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.176 0.230 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.862 1.640 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.239 2.247 -7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.818 2.018 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.158 1.479 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.079 -0.081 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.761 -0.739 -9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.218 -0.426 -8.997 1.00 0.00 H new ATOM 1378 N PHE A 81 3.985 -1.687 -7.854 1.00 0.00 N ATOM 1379 CA PHE A 81 5.119 -2.221 -8.657 1.00 0.00 C ATOM 1380 C PHE A 81 5.524 -3.570 -8.059 1.00 0.00 C ATOM 1381 O PHE A 81 6.234 -4.350 -8.661 1.00 0.00 O ATOM 1382 CB PHE A 81 6.296 -1.228 -8.583 1.00 0.00 C ATOM 1383 CG PHE A 81 6.148 -0.162 -9.654 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.438 -0.473 -10.988 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.722 1.131 -9.315 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.303 0.505 -11.982 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.588 2.107 -10.309 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.878 1.795 -11.643 1.00 0.00 C ATOM 0 H PHE A 81 4.252 -1.078 -7.081 1.00 0.00 H new ATOM 0 HA PHE A 81 4.835 -2.350 -9.701 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.328 -0.763 -7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.239 -1.759 -8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.766 -1.468 -11.251 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.497 1.373 -8.287 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.527 0.264 -13.011 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.260 3.102 -10.047 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.774 2.549 -12.409 1.00 0.00 H new ATOM 1398 N LEU A 82 5.065 -3.836 -6.867 1.00 0.00 N ATOM 1399 CA LEU A 82 5.393 -5.120 -6.180 1.00 0.00 C ATOM 1400 C LEU A 82 4.234 -6.098 -6.393 1.00 0.00 C ATOM 1401 O LEU A 82 4.412 -7.179 -6.916 1.00 0.00 O ATOM 1402 CB LEU A 82 5.567 -4.838 -4.678 1.00 0.00 C ATOM 1403 CG LEU A 82 6.955 -4.210 -4.384 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.312 -3.129 -5.413 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.942 -3.568 -2.990 1.00 0.00 C ATOM 0 H LEU A 82 4.467 -3.208 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 82 6.311 -5.550 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.780 -4.164 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.458 -5.765 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 82 7.698 -5.006 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.290 -2.711 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.337 -3.569 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.563 -2.338 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.917 -3.127 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.178 -2.792 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.722 -4.329 -2.241 1.00 0.00 H new ATOM 1417 N LYS A 83 3.054 -5.724 -5.977 1.00 0.00 N ATOM 1418 CA LYS A 83 1.875 -6.612 -6.134 1.00 0.00 C ATOM 1419 C LYS A 83 2.113 -7.853 -5.294 1.00 0.00 C ATOM 1420 O LYS A 83 1.340 -8.791 -5.307 1.00 0.00 O ATOM 1421 CB LYS A 83 1.682 -6.990 -7.615 1.00 0.00 C ATOM 1422 CG LYS A 83 1.965 -5.763 -8.516 1.00 0.00 C ATOM 1423 CD LYS A 83 1.231 -5.901 -9.872 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.207 -5.373 -9.757 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.875 -5.464 -11.086 1.00 0.00 N ATOM 0 H LYS A 83 2.858 -4.828 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 83 0.970 -6.102 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.351 -7.808 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.664 -7.345 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.641 -4.853 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.038 -5.669 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.768 -5.347 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.218 -6.946 -10.181 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.761 -5.953 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.200 -4.339 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.849 -5.107 -11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.350 -4.893 -11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.893 -6.456 -11.398 1.00 0.00 H new ATOM 1439 N ASN A 84 3.194 -7.848 -4.554 1.00 0.00 N ATOM 1440 CA ASN A 84 3.541 -9.004 -3.679 1.00 0.00 C ATOM 1441 C ASN A 84 3.548 -8.539 -2.222 1.00 0.00 C ATOM 1442 O ASN A 84 3.506 -9.342 -1.310 1.00 0.00 O ATOM 1443 CB ASN A 84 4.929 -9.528 -4.066 1.00 0.00 C ATOM 1444 CG ASN A 84 4.842 -10.281 -5.395 1.00 0.00 C ATOM 1445 OD1 ASN A 84 5.232 -11.428 -5.484 1.00 0.00 O ATOM 1446 ND2 ASN A 84 4.343 -9.680 -6.440 1.00 0.00 N ATOM 0 H ASN A 84 3.860 -7.077 -4.521 1.00 0.00 H new ATOM 0 HA ASN A 84 2.809 -9.802 -3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.631 -8.698 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.310 -10.188 -3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.281 -10.173 -7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.015 -8.717 -6.366 1.00 0.00 H new ATOM 1453 N ARG A 85 3.595 -7.245 -1.999 1.00 0.00 N ATOM 1454 CA ARG A 85 3.601 -6.705 -0.597 1.00 0.00 C ATOM 1455 C ARG A 85 2.513 -5.652 -0.449 1.00 0.00 C ATOM 1456 O ARG A 85 1.772 -5.366 -1.369 1.00 0.00 O ATOM 1457 CB ARG A 85 4.964 -6.078 -0.298 1.00 0.00 C ATOM 1458 CG ARG A 85 6.066 -7.172 -0.215 1.00 0.00 C ATOM 1459 CD ARG A 85 6.785 -7.325 -1.566 1.00 0.00 C ATOM 1460 NE ARG A 85 7.445 -8.659 -1.626 1.00 0.00 N ATOM 1461 CZ ARG A 85 8.240 -8.952 -2.620 1.00 0.00 C ATOM 1462 NH1 ARG A 85 8.461 -8.072 -3.560 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.815 -10.122 -2.672 1.00 0.00 N ATOM 0 H ARG A 85 3.630 -6.535 -2.731 1.00 0.00 H new ATOM 0 HA ARG A 85 3.413 -7.518 0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.217 -5.358 -1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.919 -5.528 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.788 -6.910 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.620 -8.123 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.072 -7.223 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.526 -6.535 -1.688 1.00 0.00 H new ATOM 0 HE ARG A 85 7.276 -9.345 -0.890 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.013 -7.157 -3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.082 -8.300 -4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.644 -10.808 -1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.436 -10.351 -3.448 1.00 0.00 H new ATOM 1477 N SER A 86 2.405 -5.092 0.730 1.00 0.00 N ATOM 1478 CA SER A 86 1.365 -4.068 1.017 1.00 0.00 C ATOM 1479 C SER A 86 2.049 -2.817 1.544 1.00 0.00 C ATOM 1480 O SER A 86 3.164 -2.852 2.018 1.00 0.00 O ATOM 1481 CB SER A 86 0.413 -4.616 2.086 1.00 0.00 C ATOM 1482 OG SER A 86 1.162 -5.351 3.045 1.00 0.00 O ATOM 0 H SER A 86 3.011 -5.310 1.521 1.00 0.00 H new ATOM 0 HA SER A 86 0.804 -3.831 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.118 -3.797 2.571 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.340 -5.256 1.626 1.00 0.00 H new ATOM 0 HG SER A 86 0.645 -5.428 3.874 1.00 0.00 H new ATOM 1488 N ASP A 87 1.375 -1.721 1.477 1.00 0.00 N ATOM 1489 CA ASP A 87 1.965 -0.457 1.976 1.00 0.00 C ATOM 1490 C ASP A 87 2.306 -0.634 3.452 1.00 0.00 C ATOM 1491 O ASP A 87 3.257 -0.073 3.959 1.00 0.00 O ATOM 1492 CB ASP A 87 0.957 0.684 1.798 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.434 0.204 2.214 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.615 -0.085 3.384 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.296 0.133 1.352 1.00 0.00 O ATOM 0 H ASP A 87 0.432 -1.640 1.096 1.00 0.00 H new ATOM 0 HA ASP A 87 2.868 -0.213 1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.253 1.542 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.944 1.014 0.759 1.00 0.00 H new ATOM 1500 N ASN A 88 1.539 -1.428 4.136 1.00 0.00 N ATOM 1501 CA ASN A 88 1.812 -1.671 5.576 1.00 0.00 C ATOM 1502 C ASN A 88 3.140 -2.418 5.703 1.00 0.00 C ATOM 1503 O ASN A 88 3.851 -2.274 6.675 1.00 0.00 O ATOM 1504 CB ASN A 88 0.688 -2.518 6.177 1.00 0.00 C ATOM 1505 CG ASN A 88 0.900 -2.655 7.685 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.102 -1.675 8.373 1.00 0.00 O ATOM 1507 ND2 ASN A 88 0.861 -3.839 8.232 1.00 0.00 N ATOM 0 H ASN A 88 0.730 -1.922 3.759 1.00 0.00 H new ATOM 0 HA ASN A 88 1.866 -0.722 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.278 -2.054 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.672 -3.503 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.000 -3.941 9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.691 -4.662 7.654 1.00 0.00 H new ATOM 1514 N ASN A 89 3.484 -3.209 4.719 1.00 0.00 N ATOM 1515 CA ASN A 89 4.765 -3.958 4.770 1.00 0.00 C ATOM 1516 C ASN A 89 5.890 -3.041 4.294 1.00 0.00 C ATOM 1517 O ASN A 89 6.985 -3.047 4.817 1.00 0.00 O ATOM 1518 CB ASN A 89 4.658 -5.155 3.833 1.00 0.00 C ATOM 1519 CG ASN A 89 5.850 -6.087 4.047 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.616 -5.911 4.974 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.040 -7.078 3.222 1.00 0.00 N ATOM 0 H ASN A 89 2.926 -3.366 3.880 1.00 0.00 H new ATOM 0 HA ASN A 89 4.973 -4.295 5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.727 -5.691 4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.630 -4.817 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.832 -7.707 3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.396 -7.225 2.444 1.00 0.00 H new ATOM 1528 N ILE A 90 5.613 -2.257 3.292 1.00 0.00 N ATOM 1529 CA ILE A 90 6.639 -1.328 2.749 1.00 0.00 C ATOM 1530 C ILE A 90 6.845 -0.190 3.742 1.00 0.00 C ATOM 1531 O ILE A 90 7.942 0.072 4.191 1.00 0.00 O ATOM 1532 CB ILE A 90 6.137 -0.764 1.419 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.833 -1.922 0.461 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.206 0.138 0.802 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.083 -1.420 -0.778 1.00 0.00 C ATOM 0 H ILE A 90 4.709 -2.220 2.821 1.00 0.00 H new ATOM 0 HA ILE A 90 7.582 -1.852 2.592 1.00 0.00 H new ATOM 0 HB ILE A 90 5.232 -0.181 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.763 -2.404 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.235 -2.676 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.843 0.537 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.425 0.961 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.114 -0.440 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.878 -2.258 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.143 -0.960 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.694 -0.684 -1.300 1.00 0.00 H new ATOM 1547 N ARG A 91 5.786 0.475 4.099 1.00 0.00 N ATOM 1548 CA ARG A 91 5.890 1.589 5.079 1.00 0.00 C ATOM 1549 C ARG A 91 6.579 1.069 6.338 1.00 0.00 C ATOM 1550 O ARG A 91 7.281 1.783 7.027 1.00 0.00 O ATOM 1551 CB ARG A 91 4.478 2.061 5.442 1.00 0.00 C ATOM 1552 CG ARG A 91 4.548 3.353 6.268 1.00 0.00 C ATOM 1553 CD ARG A 91 3.190 3.618 6.922 1.00 0.00 C ATOM 1554 NE ARG A 91 3.170 4.996 7.489 1.00 0.00 N ATOM 1555 CZ ARG A 91 3.072 6.029 6.695 1.00 0.00 C ATOM 1556 NH1 ARG A 91 2.993 5.855 5.404 1.00 0.00 N ATOM 1557 NH2 ARG A 91 3.053 7.235 7.193 1.00 0.00 N ATOM 0 H ARG A 91 4.844 0.294 3.751 1.00 0.00 H new ATOM 0 HA ARG A 91 6.460 2.415 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.899 2.232 4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.962 1.286 6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.320 3.267 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.825 4.191 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.393 3.504 6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.005 2.887 7.709 1.00 0.00 H new ATOM 0 HE ARG A 91 3.233 5.133 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.008 4.912 5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.916 6.662 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.115 7.371 8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.977 8.042 6.573 1.00 0.00 H new ATOM 1571 N ASN A 92 6.356 -0.176 6.647 1.00 0.00 N ATOM 1572 CA ASN A 92 6.960 -0.779 7.873 1.00 0.00 C ATOM 1573 C ASN A 92 8.382 -1.267 7.590 1.00 0.00 C ATOM 1574 O ASN A 92 9.274 -1.085 8.395 1.00 0.00 O ATOM 1575 CB ASN A 92 6.101 -1.962 8.329 1.00 0.00 C ATOM 1576 CG ASN A 92 6.731 -2.611 9.564 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.351 -1.941 10.366 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.598 -3.895 9.751 1.00 0.00 N ATOM 0 H ASN A 92 5.775 -0.811 6.099 1.00 0.00 H new ATOM 0 HA ASN A 92 6.999 -0.020 8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.091 -1.623 8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.016 -2.693 7.525 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.014 -4.337 10.571 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.077 -4.457 9.078 1.00 0.00 H new ATOM 1585 N ARG A 93 8.611 -1.903 6.470 1.00 0.00 N ATOM 1586 CA ARG A 93 9.988 -2.407 6.188 1.00 0.00 C ATOM 1587 C ARG A 93 10.899 -1.241 5.798 1.00 0.00 C ATOM 1588 O ARG A 93 12.056 -1.199 6.166 1.00 0.00 O ATOM 1589 CB ARG A 93 9.943 -3.451 5.064 1.00 0.00 C ATOM 1590 CG ARG A 93 11.327 -4.115 4.916 1.00 0.00 C ATOM 1591 CD ARG A 93 11.214 -5.421 4.121 1.00 0.00 C ATOM 1592 NE ARG A 93 12.456 -6.224 4.317 1.00 0.00 N ATOM 1593 CZ ARG A 93 13.579 -5.838 3.777 1.00 0.00 C ATOM 1594 NH1 ARG A 93 13.617 -4.747 3.064 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.663 -6.541 3.952 1.00 0.00 N ATOM 0 H ARG A 93 7.916 -2.093 5.748 1.00 0.00 H new ATOM 0 HA ARG A 93 10.388 -2.878 7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.189 -4.206 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.654 -2.977 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.012 -3.433 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.747 -4.317 5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.344 -5.988 4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.070 -5.205 3.062 1.00 0.00 H new ATOM 0 HE ARG A 93 12.427 -7.077 4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.769 -4.196 2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.495 -4.444 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.633 -7.393 4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.541 -6.239 3.529 1.00 0.00 H new ATOM 1609 N TRP A 94 10.389 -0.285 5.075 1.00 0.00 N ATOM 1610 CA TRP A 94 11.226 0.881 4.685 1.00 0.00 C ATOM 1611 C TRP A 94 11.776 1.530 5.954 1.00 0.00 C ATOM 1612 O TRP A 94 12.892 1.998 5.985 1.00 0.00 O ATOM 1613 CB TRP A 94 10.369 1.889 3.911 1.00 0.00 C ATOM 1614 CG TRP A 94 11.174 3.118 3.614 1.00 0.00 C ATOM 1615 CD1 TRP A 94 10.922 4.351 4.113 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.352 3.255 2.766 1.00 0.00 C ATOM 1617 NE1 TRP A 94 11.866 5.234 3.624 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.770 4.606 2.790 1.00 0.00 C ATOM 1619 CE3 TRP A 94 13.090 2.347 1.986 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 13.881 5.042 2.066 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 14.208 2.781 1.256 1.00 0.00 C ATOM 1622 CH2 TRP A 94 14.603 4.126 1.296 1.00 0.00 C ATOM 0 H TRP A 94 9.427 -0.261 4.737 1.00 0.00 H new ATOM 0 HA TRP A 94 12.050 0.558 4.049 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.015 1.442 2.982 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.487 2.153 4.494 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.114 4.604 4.784 1.00 0.00 H new ATOM 0 HE1 TRP A 94 11.892 6.228 3.851 1.00 0.00 H new ATOM 0 HE3 TRP A 94 12.795 1.309 1.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.180 6.079 2.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.767 2.075 0.660 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.464 4.454 0.732 1.00 0.00 H new ATOM 1633 N MET A 95 11.002 1.551 7.002 1.00 0.00 N ATOM 1634 CA MET A 95 11.485 2.160 8.270 1.00 0.00 C ATOM 1635 C MET A 95 12.557 1.255 8.880 1.00 0.00 C ATOM 1636 O MET A 95 13.409 1.698 9.623 1.00 0.00 O ATOM 1637 CB MET A 95 10.317 2.303 9.249 1.00 0.00 C ATOM 1638 CG MET A 95 9.362 3.389 8.749 1.00 0.00 C ATOM 1639 SD MET A 95 7.876 3.408 9.782 1.00 0.00 S ATOM 1640 CE MET A 95 8.511 4.499 11.078 1.00 0.00 C ATOM 0 H MET A 95 10.055 1.172 7.035 1.00 0.00 H new ATOM 0 HA MET A 95 11.905 3.145 8.068 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.789 1.354 9.342 1.00 0.00 H new ATOM 0 HB3 MET A 95 10.689 2.560 10.241 1.00 0.00 H new ATOM 0 HG2 MET A 95 9.852 4.362 8.781 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.093 3.201 7.710 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.742 4.650 11.836 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.389 4.045 11.538 1.00 0.00 H new ATOM 0 HE3 MET A 95 8.785 5.460 10.643 1.00 0.00 H new ATOM 1650 N MET A 96 12.527 -0.012 8.560 1.00 0.00 N ATOM 1651 CA MET A 96 13.546 -0.950 9.104 1.00 0.00 C ATOM 1652 C MET A 96 14.822 -0.814 8.282 1.00 0.00 C ATOM 1653 O MET A 96 15.918 -0.835 8.804 1.00 0.00 O ATOM 1654 CB MET A 96 13.024 -2.386 9.005 1.00 0.00 C ATOM 1655 CG MET A 96 14.010 -3.336 9.686 1.00 0.00 C ATOM 1656 SD MET A 96 13.352 -5.022 9.640 1.00 0.00 S ATOM 1657 CE MET A 96 14.316 -5.680 11.024 1.00 0.00 C ATOM 0 H MET A 96 11.836 -0.437 7.942 1.00 0.00 H new ATOM 0 HA MET A 96 13.749 -0.715 10.149 1.00 0.00 H new ATOM 0 HB2 MET A 96 12.045 -2.461 9.478 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.896 -2.666 7.959 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.976 -3.297 9.182 1.00 0.00 H new ATOM 0 HG3 MET A 96 14.176 -3.027 10.718 1.00 0.00 H new ATOM 0 HE1 MET A 96 14.064 -6.729 11.176 1.00 0.00 H new ATOM 0 HE2 MET A 96 15.379 -5.591 10.802 1.00 0.00 H new ATOM 0 HE3 MET A 96 14.086 -5.117 11.928 1.00 0.00 H new ATOM 1667 N ILE A 97 14.684 -0.665 6.989 1.00 0.00 N ATOM 1668 CA ILE A 97 15.882 -0.519 6.119 1.00 0.00 C ATOM 1669 C ILE A 97 16.316 0.946 6.115 1.00 0.00 C ATOM 1670 O ILE A 97 17.484 1.257 5.988 1.00 0.00 O ATOM 1671 CB ILE A 97 15.542 -0.950 4.687 1.00 0.00 C ATOM 1672 CG1 ILE A 97 14.888 -2.343 4.692 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.819 -0.986 3.845 1.00 0.00 C ATOM 1674 CD1 ILE A 97 15.745 -3.349 5.476 1.00 0.00 C ATOM 0 H ILE A 97 13.789 -0.639 6.500 1.00 0.00 H new ATOM 0 HA ILE A 97 16.687 -1.147 6.500 1.00 0.00 H new ATOM 0 HB ILE A 97 14.842 -0.232 4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.895 -2.281 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.757 -2.691 3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.576 -1.292 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.271 0.006 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.522 -1.697 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 97 15.261 -4.326 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 97 16.729 -3.426 5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.853 -3.010 6.506 1.00 0.00 H new ATOM 1686 N ALA A 98 15.386 1.852 6.263 1.00 0.00 N ATOM 1687 CA ALA A 98 15.758 3.294 6.277 1.00 0.00 C ATOM 1688 C ALA A 98 16.437 3.615 7.606 1.00 0.00 C ATOM 1689 O ALA A 98 17.106 4.618 7.750 1.00 0.00 O ATOM 1690 CB ALA A 98 14.505 4.159 6.123 1.00 0.00 C ATOM 0 H ALA A 98 14.391 1.656 6.374 1.00 0.00 H new ATOM 0 HA ALA A 98 16.436 3.504 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.786 5.212 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.015 3.924 5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.820 3.957 6.947 1.00 0.00 H new ATOM 1696 N ARG A 99 16.272 2.761 8.579 1.00 0.00 N ATOM 1697 CA ARG A 99 16.908 3.001 9.899 1.00 0.00 C ATOM 1698 C ARG A 99 18.406 2.740 9.777 1.00 0.00 C ATOM 1699 O ARG A 99 19.198 3.202 10.575 1.00 0.00 O ATOM 1700 CB ARG A 99 16.304 2.058 10.941 1.00 0.00 C ATOM 1701 CG ARG A 99 16.990 2.278 12.293 1.00 0.00 C ATOM 1702 CD ARG A 99 16.216 1.537 13.386 1.00 0.00 C ATOM 1703 NE ARG A 99 16.869 1.776 14.705 1.00 0.00 N ATOM 1704 CZ ARG A 99 16.762 2.940 15.285 1.00 0.00 C ATOM 1705 NH1 ARG A 99 16.085 3.898 14.711 1.00 0.00 N ATOM 1706 NH2 ARG A 99 17.333 3.147 16.441 1.00 0.00 N ATOM 0 H ARG A 99 15.721 1.905 8.513 1.00 0.00 H new ATOM 0 HA ARG A 99 16.736 4.031 10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.233 2.238 11.032 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.427 1.022 10.624 1.00 0.00 H new ATOM 0 HG2 ARG A 99 18.018 1.918 12.254 1.00 0.00 H new ATOM 0 HG3 ARG A 99 17.033 3.343 12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.182 1.882 13.412 1.00 0.00 H new ATOM 0 HD3 ARG A 99 16.191 0.469 13.169 1.00 0.00 H new ATOM 0 HE ARG A 99 17.399 1.029 15.154 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.639 3.737 13.808 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.002 4.807 15.166 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.862 2.399 16.890 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.250 4.056 16.895 1.00 0.00 H new