USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 39 THR OG1 : rot 138:sc= -0.688 USER MOD Set 1.2: A 52 ASN : amide:sc= 0.0937 K(o=-0.59,f=-1.7) USER MOD Single : A 11 CYS SG : rot -17:sc= 0.0453 USER MOD Single : A 14 ASN : amide:sc= -2.64! C(o=-2.6!,f=-14!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.236) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 112:sc= -0.96 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -114:sc= -0.048 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot -144:sc= 0.342 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.39 K(o=-1.4,f=-7.2!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.365 USER MOD Single : A 67 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-5.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -19:sc= 0.474 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 150:sc= -0.0234 (180deg=-0.61) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.923 3.993 0.349 1.00 0.00 N ATOM 60 CA GLY A 7 -1.742 3.222 0.692 1.00 0.00 C ATOM 61 C GLY A 7 -2.014 2.198 1.776 1.00 0.00 C ATOM 62 O GLY A 7 -3.099 2.173 2.359 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.372 2.714 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.954 3.898 1.024 1.00 0.00 H new ATOM 66 N LEU A 8 -1.028 1.350 2.049 1.00 0.00 N ATOM 67 CA LEU A 8 -1.167 0.317 3.069 1.00 0.00 C ATOM 68 C LEU A 8 0.194 -0.073 3.636 1.00 0.00 C ATOM 69 O LEU A 8 1.136 -0.338 2.890 1.00 0.00 O ATOM 70 CB LEU A 8 -1.862 -0.914 2.486 1.00 0.00 C ATOM 71 CG LEU A 8 -3.387 -0.849 2.404 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.926 -1.993 1.560 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.997 -0.878 3.797 1.00 0.00 C ATOM 0 H LEU A 8 -0.123 1.358 1.578 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.776 0.719 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.471 -1.086 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.587 -1.780 3.088 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.666 0.090 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.013 -1.930 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.515 -1.927 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.637 -2.944 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.083 -0.831 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.709 -1.800 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.637 -0.023 4.370 1.00 0.00 H new ATOM 85 N ILE A 9 0.289 -0.110 4.962 1.00 0.00 N ATOM 86 CA ILE A 9 1.533 -0.471 5.628 1.00 0.00 C ATOM 87 C ILE A 9 1.523 -1.935 6.055 1.00 0.00 C ATOM 88 O ILE A 9 0.985 -2.282 7.107 1.00 0.00 O ATOM 89 CB ILE A 9 1.786 0.410 6.865 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.568 1.885 6.520 1.00 0.00 C ATOM 91 CG2 ILE A 9 3.195 0.188 7.395 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.711 2.499 5.744 1.00 0.00 C ATOM 0 H ILE A 9 -0.481 0.106 5.595 1.00 0.00 H new ATOM 0 HA ILE A 9 2.335 -0.310 4.907 1.00 0.00 H new ATOM 0 HB ILE A 9 1.077 0.129 7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.651 1.982 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.422 2.448 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.358 0.818 8.269 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.318 -0.859 7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.919 0.445 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.488 3.545 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.626 2.434 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.844 1.961 4.805 1.00 0.00 H new ATOM 104 N ALA A 10 2.121 -2.791 5.234 1.00 0.00 N ATOM 105 CA ALA A 10 2.185 -4.217 5.528 1.00 0.00 C ATOM 106 C ALA A 10 3.383 -4.543 6.414 1.00 0.00 C ATOM 107 O ALA A 10 4.522 -4.215 6.079 1.00 0.00 O ATOM 108 CB ALA A 10 2.247 -5.020 4.238 1.00 0.00 C ATOM 0 H ALA A 10 2.569 -2.521 4.358 1.00 0.00 H new ATOM 0 HA ALA A 10 1.280 -4.491 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.294 -6.083 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.357 -4.820 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.134 -4.733 3.673 1.00 0.00 H new ATOM 114 N CYS A 11 3.119 -5.187 7.545 1.00 0.00 N ATOM 115 CA CYS A 11 4.176 -5.556 8.480 1.00 0.00 C ATOM 116 C CYS A 11 4.561 -7.022 8.315 1.00 0.00 C ATOM 117 O CYS A 11 3.790 -7.919 8.655 1.00 0.00 O ATOM 118 CB CYS A 11 3.728 -5.292 9.918 1.00 0.00 C ATOM 119 SG CYS A 11 4.834 -4.207 10.849 1.00 0.00 S ATOM 0 H CYS A 11 2.182 -5.465 7.837 1.00 0.00 H new ATOM 0 HA CYS A 11 5.051 -4.943 8.261 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.732 -4.850 9.901 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.645 -6.244 10.442 1.00 0.00 H new ATOM 0 HG CYS A 11 5.985 -4.143 10.249 1.00 0.00 H new ATOM 125 N VAL A 12 5.758 -7.258 7.788 1.00 0.00 N ATOM 126 CA VAL A 12 6.246 -8.616 7.578 1.00 0.00 C ATOM 127 C VAL A 12 7.271 -9.003 8.638 1.00 0.00 C ATOM 128 O VAL A 12 8.121 -8.198 9.017 1.00 0.00 O ATOM 129 CB VAL A 12 6.882 -8.774 6.183 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.703 -10.196 5.672 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.284 -7.770 5.208 1.00 0.00 C ATOM 0 H VAL A 12 6.408 -6.527 7.499 1.00 0.00 H new ATOM 0 HA VAL A 12 5.383 -9.277 7.654 1.00 0.00 H new ATOM 0 HB VAL A 12 7.950 -8.575 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.158 -10.288 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.182 -10.893 6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.640 -10.427 5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.745 -7.896 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.210 -7.936 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.469 -6.758 5.569 1.00 0.00 H new ATOM 141 N ALA A 13 7.185 -10.241 9.112 1.00 0.00 N ATOM 142 CA ALA A 13 8.106 -10.737 10.127 1.00 0.00 C ATOM 143 C ALA A 13 9.266 -11.495 9.493 1.00 0.00 C ATOM 144 O ALA A 13 10.306 -11.697 10.119 1.00 0.00 O ATOM 145 CB ALA A 13 7.370 -11.626 11.119 1.00 0.00 C ATOM 0 H ALA A 13 6.486 -10.920 8.809 1.00 0.00 H new ATOM 0 HA ALA A 13 8.516 -9.879 10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.070 -11.989 11.871 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.580 -11.053 11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.931 -12.474 10.592 1.00 0.00 H new ATOM 151 N ASN A 14 9.080 -11.915 8.245 1.00 0.00 N ATOM 152 CA ASN A 14 10.112 -12.654 7.526 1.00 0.00 C ATOM 153 C ASN A 14 11.225 -11.720 7.060 1.00 0.00 C ATOM 154 O ASN A 14 11.083 -11.020 6.058 1.00 0.00 O ATOM 155 CB ASN A 14 9.504 -13.380 6.324 1.00 0.00 C ATOM 156 CG ASN A 14 8.222 -14.110 6.677 1.00 0.00 C ATOM 157 OD1 ASN A 14 7.473 -13.682 7.555 1.00 0.00 O ATOM 158 ND2 ASN A 14 7.965 -15.218 5.992 1.00 0.00 N ATOM 0 H ASN A 14 8.225 -11.756 7.711 1.00 0.00 H new ATOM 0 HA ASN A 14 10.540 -13.389 8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.302 -12.659 5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.228 -14.093 5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.118 -15.752 6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.615 -15.535 5.273 1.00 0.00 H new ATOM 165 N ASP A 15 12.332 -11.717 7.795 1.00 0.00 N ATOM 166 CA ASP A 15 13.471 -10.870 7.457 1.00 0.00 C ATOM 167 C ASP A 15 13.962 -11.161 6.042 1.00 0.00 C ATOM 168 O ASP A 15 14.636 -10.333 5.426 1.00 0.00 O ATOM 169 CB ASP A 15 14.606 -11.083 8.459 1.00 0.00 C ATOM 170 CG ASP A 15 14.967 -12.546 8.623 1.00 0.00 C ATOM 171 OD1 ASP A 15 14.107 -13.320 9.095 1.00 0.00 O ATOM 172 OD2 ASP A 15 16.109 -12.918 8.280 1.00 0.00 O ATOM 0 H ASP A 15 12.465 -12.291 8.628 1.00 0.00 H new ATOM 0 HA ASP A 15 13.147 -9.830 7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.486 -10.530 8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.315 -10.673 9.426 1.00 0.00 H new ATOM 177 N ASP A 16 13.624 -12.340 5.534 1.00 0.00 N ATOM 178 CA ASP A 16 14.031 -12.740 4.193 1.00 0.00 C ATOM 179 C ASP A 16 13.344 -11.879 3.137 1.00 0.00 C ATOM 180 O ASP A 16 13.982 -11.404 2.196 1.00 0.00 O ATOM 181 CB ASP A 16 13.704 -14.215 3.956 1.00 0.00 C ATOM 182 CG ASP A 16 14.448 -15.132 4.906 1.00 0.00 C ATOM 183 OD1 ASP A 16 14.393 -14.888 6.130 1.00 0.00 O ATOM 184 OD2 ASP A 16 15.086 -16.093 4.427 1.00 0.00 O ATOM 0 H ASP A 16 13.069 -13.036 6.031 1.00 0.00 H new ATOM 0 HA ASP A 16 15.108 -12.596 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.631 -14.370 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.955 -14.479 2.929 1.00 0.00 H new ATOM 189 N VAL A 17 12.040 -11.680 3.298 1.00 0.00 N ATOM 190 CA VAL A 17 11.267 -10.876 2.360 1.00 0.00 C ATOM 191 C VAL A 17 12.004 -9.592 1.999 1.00 0.00 C ATOM 192 O VAL A 17 11.756 -8.993 0.953 1.00 0.00 O ATOM 193 CB VAL A 17 9.884 -10.516 2.936 1.00 0.00 C ATOM 194 CG1 VAL A 17 9.271 -9.356 2.167 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.965 -11.729 2.910 1.00 0.00 C ATOM 0 H VAL A 17 11.496 -12.065 4.070 1.00 0.00 H new ATOM 0 HA VAL A 17 11.133 -11.479 1.462 1.00 0.00 H new ATOM 0 HB VAL A 17 10.010 -10.206 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.295 -9.116 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.922 -8.485 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.156 -9.634 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.992 -11.457 3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.843 -12.071 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.401 -12.529 3.509 1.00 0.00 H new ATOM 205 N PHE A 18 12.915 -9.173 2.873 1.00 0.00 N ATOM 206 CA PHE A 18 13.690 -7.959 2.647 1.00 0.00 C ATOM 207 C PHE A 18 14.956 -8.262 1.851 1.00 0.00 C ATOM 208 O PHE A 18 16.029 -7.737 2.149 1.00 0.00 O ATOM 209 CB PHE A 18 14.055 -7.306 3.981 1.00 0.00 C ATOM 210 CG PHE A 18 12.864 -6.831 4.763 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.032 -7.736 5.402 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.576 -5.479 4.858 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.935 -7.301 6.121 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.480 -5.039 5.576 1.00 0.00 C ATOM 215 CZ PHE A 18 10.659 -5.951 6.209 1.00 0.00 C ATOM 0 H PHE A 18 13.134 -9.657 3.744 1.00 0.00 H new ATOM 0 HA PHE A 18 13.076 -7.268 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.614 -8.021 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.717 -6.460 3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.243 -8.793 5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.215 -4.761 4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.294 -8.017 6.614 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.266 -3.982 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.803 -5.609 6.772 1.00 0.00 H new ATOM 262 N GLU A 22 14.173 -13.707 -3.839 1.00 0.00 N ATOM 263 CA GLU A 22 12.911 -14.057 -4.478 1.00 0.00 C ATOM 264 C GLU A 22 11.750 -13.934 -3.495 1.00 0.00 C ATOM 265 O GLU A 22 10.675 -13.443 -3.843 1.00 0.00 O ATOM 266 CB GLU A 22 12.973 -15.481 -5.033 1.00 0.00 C ATOM 267 CG GLU A 22 12.767 -15.559 -6.537 1.00 0.00 C ATOM 268 CD GLU A 22 13.740 -16.507 -7.212 1.00 0.00 C ATOM 269 OE1 GLU A 22 13.951 -17.617 -6.678 1.00 0.00 O ATOM 270 OE2 GLU A 22 14.288 -16.140 -8.271 1.00 0.00 O ATOM 0 HA GLU A 22 12.744 -13.360 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.941 -15.917 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.214 -16.088 -4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.747 -15.884 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.878 -14.564 -6.967 1.00 0.00 H new ATOM 277 N THR A 23 11.974 -14.383 -2.264 1.00 0.00 N ATOM 278 CA THR A 23 10.949 -14.325 -1.231 1.00 0.00 C ATOM 279 C THR A 23 10.153 -13.027 -1.318 1.00 0.00 C ATOM 280 O THR A 23 8.962 -12.997 -1.007 1.00 0.00 O ATOM 281 CB THR A 23 11.563 -14.443 0.177 1.00 0.00 C ATOM 282 OG1 THR A 23 12.628 -15.401 0.169 1.00 0.00 O ATOM 283 CG2 THR A 23 10.510 -14.858 1.193 1.00 0.00 C ATOM 0 H THR A 23 12.857 -14.791 -1.959 1.00 0.00 H new ATOM 0 HA THR A 23 10.282 -15.170 -1.401 1.00 0.00 H new ATOM 0 HB THR A 23 11.955 -13.466 0.461 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.014 -15.469 1.067 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.967 -14.935 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.715 -14.113 1.218 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.092 -15.824 0.910 1.00 0.00 H new ATOM 291 N ARG A 24 10.818 -11.958 -1.744 1.00 0.00 N ATOM 292 CA ARG A 24 10.172 -10.658 -1.871 1.00 0.00 C ATOM 293 C ARG A 24 9.013 -10.721 -2.863 1.00 0.00 C ATOM 294 O ARG A 24 7.869 -10.433 -2.515 1.00 0.00 O ATOM 295 CB ARG A 24 11.185 -9.603 -2.320 1.00 0.00 C ATOM 296 CG ARG A 24 10.608 -8.199 -2.397 1.00 0.00 C ATOM 297 CD ARG A 24 11.701 -7.143 -2.325 1.00 0.00 C ATOM 298 NE ARG A 24 12.235 -6.818 -3.645 1.00 0.00 N ATOM 299 CZ ARG A 24 13.344 -6.113 -3.835 1.00 0.00 C ATOM 300 NH1 ARG A 24 14.034 -5.662 -2.797 1.00 0.00 N ATOM 301 NH2 ARG A 24 13.766 -5.857 -5.067 1.00 0.00 N ATOM 0 H ARG A 24 11.804 -11.967 -2.007 1.00 0.00 H new ATOM 0 HA ARG A 24 9.777 -10.380 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.028 -9.603 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.576 -9.880 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.050 -8.084 -3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.902 -8.049 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.303 -6.240 -1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.508 -7.500 -1.685 1.00 0.00 H new ATOM 0 HE ARG A 24 11.728 -7.151 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.714 -5.856 -1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.885 -5.121 -2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.238 -6.202 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.618 -5.315 -5.212 1.00 0.00 H new ATOM 315 N ALA A 25 9.321 -11.100 -4.099 1.00 0.00 N ATOM 316 CA ALA A 25 8.306 -11.203 -5.141 1.00 0.00 C ATOM 317 C ALA A 25 6.985 -11.710 -4.573 1.00 0.00 C ATOM 318 O ALA A 25 5.979 -11.001 -4.585 1.00 0.00 O ATOM 319 CB ALA A 25 8.788 -12.115 -6.259 1.00 0.00 C ATOM 0 H ALA A 25 10.264 -11.341 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 25 8.137 -10.206 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.020 -12.183 -7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.702 -11.708 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.988 -13.109 -5.858 1.00 0.00 H new ATOM 325 N LYS A 26 6.995 -12.942 -4.076 1.00 0.00 N ATOM 326 CA LYS A 26 5.799 -13.546 -3.502 1.00 0.00 C ATOM 327 C LYS A 26 4.962 -12.504 -2.767 1.00 0.00 C ATOM 328 O LYS A 26 3.757 -12.390 -2.991 1.00 0.00 O ATOM 329 CB LYS A 26 6.182 -14.677 -2.544 1.00 0.00 C ATOM 330 CG LYS A 26 6.924 -15.819 -3.217 1.00 0.00 C ATOM 331 CD LYS A 26 8.389 -15.843 -2.818 1.00 0.00 C ATOM 332 CE LYS A 26 9.246 -16.505 -3.887 1.00 0.00 C ATOM 333 NZ LYS A 26 8.637 -17.771 -4.382 1.00 0.00 N ATOM 0 H LYS A 26 7.819 -13.542 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 26 5.203 -13.956 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.804 -14.271 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.278 -15.068 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.457 -16.766 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.842 -15.720 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.738 -14.824 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.502 -16.379 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.381 -15.817 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.236 -16.713 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.358 -18.332 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.268 -18.317 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.859 -17.550 -5.036 1.00 0.00 H new ATOM 347 N PHE A 27 5.609 -11.744 -1.890 1.00 0.00 N ATOM 348 CA PHE A 27 4.925 -10.711 -1.122 1.00 0.00 C ATOM 349 C PHE A 27 4.293 -9.675 -2.047 1.00 0.00 C ATOM 350 O PHE A 27 3.140 -9.286 -1.863 1.00 0.00 O ATOM 351 CB PHE A 27 5.902 -10.026 -0.164 1.00 0.00 C ATOM 352 CG PHE A 27 5.370 -8.751 0.424 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.451 -7.560 -0.282 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.789 -8.740 1.682 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.962 -6.384 0.256 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.299 -7.568 2.225 1.00 0.00 C ATOM 357 CZ PHE A 27 4.386 -6.388 1.512 1.00 0.00 C ATOM 0 H PHE A 27 6.607 -11.824 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 27 4.134 -11.188 -0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.149 -10.714 0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.830 -9.813 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.901 -7.551 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.718 -9.659 2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.030 -5.463 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.848 -7.574 3.206 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.005 -5.471 1.935 1.00 0.00 H new ATOM 367 N GLU A 28 5.057 -9.234 -3.041 1.00 0.00 N ATOM 368 CA GLU A 28 4.571 -8.242 -3.994 1.00 0.00 C ATOM 369 C GLU A 28 3.387 -8.785 -4.789 1.00 0.00 C ATOM 370 O GLU A 28 2.301 -8.205 -4.778 1.00 0.00 O ATOM 371 CB GLU A 28 5.693 -7.829 -4.950 1.00 0.00 C ATOM 372 CG GLU A 28 6.351 -6.510 -4.580 1.00 0.00 C ATOM 373 CD GLU A 28 7.706 -6.330 -5.240 1.00 0.00 C ATOM 374 OE1 GLU A 28 8.717 -6.754 -4.644 1.00 0.00 O ATOM 375 OE2 GLU A 28 7.752 -5.764 -6.352 1.00 0.00 O ATOM 0 H GLU A 28 6.013 -9.547 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 28 4.240 -7.368 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.451 -8.612 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.290 -7.754 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.697 -5.688 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.468 -6.457 -3.498 1.00 0.00 H new ATOM 382 N SER A 29 3.604 -9.902 -5.476 1.00 0.00 N ATOM 383 CA SER A 29 2.556 -10.521 -6.280 1.00 0.00 C ATOM 384 C SER A 29 1.205 -10.421 -5.580 1.00 0.00 C ATOM 385 O SER A 29 0.185 -10.142 -6.211 1.00 0.00 O ATOM 386 CB SER A 29 2.895 -11.987 -6.555 1.00 0.00 C ATOM 387 OG SER A 29 1.886 -12.607 -7.333 1.00 0.00 O ATOM 0 H SER A 29 4.496 -10.397 -5.492 1.00 0.00 H new ATOM 0 HA SER A 29 2.494 -9.986 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.851 -12.051 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.010 -12.520 -5.611 1.00 0.00 H new ATOM 0 HG SER A 29 2.127 -13.543 -7.496 1.00 0.00 H new ATOM 393 N LEU A 30 1.205 -10.654 -4.272 1.00 0.00 N ATOM 394 CA LEU A 30 -0.021 -10.591 -3.484 1.00 0.00 C ATOM 395 C LEU A 30 -0.808 -9.322 -3.800 1.00 0.00 C ATOM 396 O LEU A 30 -2.014 -9.370 -4.037 1.00 0.00 O ATOM 397 CB LEU A 30 0.306 -10.643 -1.990 1.00 0.00 C ATOM 398 CG LEU A 30 0.913 -11.952 -1.482 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.437 -11.782 -0.064 1.00 0.00 C ATOM 400 CD2 LEU A 30 -0.113 -13.075 -1.543 1.00 0.00 C ATOM 0 H LEU A 30 2.040 -10.888 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.636 -11.452 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.997 -9.832 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.609 -10.449 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 30 1.750 -12.217 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.865 -12.723 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.204 -11.008 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.618 -11.493 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.336 -13.999 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.971 -12.818 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.440 -13.213 -2.574 1.00 0.00 H new ATOM 412 N PHE A 31 -0.114 -8.188 -3.802 1.00 0.00 N ATOM 413 CA PHE A 31 -0.747 -6.907 -4.090 1.00 0.00 C ATOM 414 C PHE A 31 -0.738 -6.620 -5.589 1.00 0.00 C ATOM 415 O PHE A 31 -1.782 -6.361 -6.187 1.00 0.00 O ATOM 416 CB PHE A 31 -0.031 -5.781 -3.341 1.00 0.00 C ATOM 417 CG PHE A 31 0.277 -6.115 -1.909 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.370 -6.905 -1.588 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.525 -5.639 -0.884 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.657 -7.214 -0.272 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.243 -5.945 0.434 1.00 0.00 C ATOM 422 CZ PHE A 31 0.849 -6.734 0.741 1.00 0.00 C ATOM 0 H PHE A 31 0.886 -8.131 -3.608 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.782 -6.958 -3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.899 -5.545 -3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.650 -4.884 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.005 -7.283 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.380 -5.022 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.512 -7.830 -0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.876 -5.568 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.070 -6.975 1.770 1.00 0.00 H new ATOM 432 N ARG A 32 0.447 -6.670 -6.188 1.00 0.00 N ATOM 433 CA ARG A 32 0.592 -6.414 -7.616 1.00 0.00 C ATOM 434 C ARG A 32 -0.522 -7.096 -8.406 1.00 0.00 C ATOM 435 O ARG A 32 -1.122 -6.496 -9.299 1.00 0.00 O ATOM 436 CB ARG A 32 1.955 -6.905 -8.107 1.00 0.00 C ATOM 437 CG ARG A 32 2.614 -5.970 -9.109 1.00 0.00 C ATOM 438 CD ARG A 32 2.167 -6.273 -10.530 1.00 0.00 C ATOM 439 NE ARG A 32 3.115 -5.768 -11.521 1.00 0.00 N ATOM 440 CZ ARG A 32 4.217 -6.416 -11.879 1.00 0.00 C ATOM 441 NH1 ARG A 32 4.510 -7.587 -11.332 1.00 0.00 N ATOM 442 NH2 ARG A 32 5.031 -5.892 -12.788 1.00 0.00 N ATOM 0 H ARG A 32 1.320 -6.885 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 32 0.522 -5.338 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.617 -7.031 -7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.835 -7.887 -8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.368 -4.937 -8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.698 -6.065 -9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.054 -7.350 -10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.188 -5.827 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 32 2.919 -4.869 -11.961 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.888 -7.993 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.358 -8.082 -11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.810 -4.991 -13.212 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.877 -6.391 -13.062 1.00 0.00 H new ATOM 456 N THR A 33 -0.792 -8.354 -8.072 1.00 0.00 N ATOM 457 CA THR A 33 -1.831 -9.118 -8.751 1.00 0.00 C ATOM 458 C THR A 33 -3.089 -8.280 -8.949 1.00 0.00 C ATOM 459 O THR A 33 -3.731 -8.344 -9.998 1.00 0.00 O ATOM 460 CB THR A 33 -2.195 -10.392 -7.965 1.00 0.00 C ATOM 461 OG1 THR A 33 -3.008 -11.250 -8.773 1.00 0.00 O ATOM 462 CG2 THR A 33 -2.935 -10.044 -6.683 1.00 0.00 C ATOM 0 H THR A 33 -0.306 -8.865 -7.335 1.00 0.00 H new ATOM 0 HA THR A 33 -1.430 -9.402 -9.724 1.00 0.00 H new ATOM 0 HB THR A 33 -1.271 -10.908 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.234 -12.058 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.181 -10.959 -6.145 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.302 -9.415 -6.057 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.852 -9.508 -6.926 1.00 0.00 H new ATOM 470 N TYR A 34 -3.437 -7.495 -7.937 1.00 0.00 N ATOM 471 CA TYR A 34 -4.620 -6.644 -7.999 1.00 0.00 C ATOM 472 C TYR A 34 -4.388 -5.456 -8.926 1.00 0.00 C ATOM 473 O TYR A 34 -4.961 -5.380 -10.013 1.00 0.00 O ATOM 474 CB TYR A 34 -4.993 -6.151 -6.600 1.00 0.00 C ATOM 475 CG TYR A 34 -4.845 -7.204 -5.526 1.00 0.00 C ATOM 476 CD1 TYR A 34 -5.416 -8.462 -5.675 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.132 -6.942 -4.362 1.00 0.00 C ATOM 478 CE1 TYR A 34 -5.284 -9.427 -4.695 1.00 0.00 C ATOM 479 CE2 TYR A 34 -3.993 -7.902 -3.378 1.00 0.00 C ATOM 480 CZ TYR A 34 -4.572 -9.142 -3.549 1.00 0.00 C ATOM 481 OH TYR A 34 -4.436 -10.102 -2.572 1.00 0.00 O ATOM 0 H TYR A 34 -2.917 -7.430 -7.062 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.443 -7.237 -8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.367 -5.296 -6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.024 -5.799 -6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.973 -8.689 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.679 -5.971 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.736 -10.399 -4.826 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.434 -7.683 -2.480 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.502 -10.395 -2.529 1.00 0.00 H new ATOM 491 N ASP A 35 -3.542 -4.529 -8.488 1.00 0.00 N ATOM 492 CA ASP A 35 -3.231 -3.343 -9.277 1.00 0.00 C ATOM 493 C ASP A 35 -1.829 -3.438 -9.872 1.00 0.00 C ATOM 494 O ASP A 35 -0.928 -4.025 -9.274 1.00 0.00 O ATOM 495 CB ASP A 35 -3.349 -2.085 -8.416 1.00 0.00 C ATOM 496 CG ASP A 35 -4.660 -1.354 -8.634 1.00 0.00 C ATOM 497 OD1 ASP A 35 -5.219 -1.459 -9.746 1.00 0.00 O ATOM 498 OD2 ASP A 35 -5.125 -0.676 -7.694 1.00 0.00 O ATOM 0 H ASP A 35 -3.060 -4.577 -7.591 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.950 -3.282 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.259 -2.358 -7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.520 -1.414 -8.643 1.00 0.00 H new ATOM 503 N LYS A 36 -1.654 -2.858 -11.054 1.00 0.00 N ATOM 504 CA LYS A 36 -0.363 -2.877 -11.732 1.00 0.00 C ATOM 505 C LYS A 36 0.426 -1.605 -11.434 1.00 0.00 C ATOM 506 O LYS A 36 1.656 -1.600 -11.485 1.00 0.00 O ATOM 507 CB LYS A 36 -0.558 -3.027 -13.242 1.00 0.00 C ATOM 508 CG LYS A 36 -1.421 -4.215 -13.628 1.00 0.00 C ATOM 509 CD LYS A 36 -0.712 -5.120 -14.622 1.00 0.00 C ATOM 510 CE LYS A 36 0.311 -6.010 -13.933 1.00 0.00 C ATOM 511 NZ LYS A 36 -0.015 -7.455 -14.089 1.00 0.00 N ATOM 0 H LYS A 36 -2.390 -2.369 -11.563 1.00 0.00 H new ATOM 0 HA LYS A 36 0.203 -3.731 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.012 -2.117 -13.634 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.418 -3.127 -13.718 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.678 -4.785 -12.735 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.357 -3.861 -14.060 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.445 -5.739 -15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.216 -4.513 -15.379 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.300 -5.814 -14.347 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.354 -5.760 -12.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.706 -8.028 -13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.948 -7.648 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.031 -7.700 -15.100 1.00 0.00 H new ATOM 525 N ASP A 37 -0.290 -0.531 -11.122 1.00 0.00 N ATOM 526 CA ASP A 37 0.344 0.746 -10.814 1.00 0.00 C ATOM 527 C ASP A 37 0.686 0.839 -9.329 1.00 0.00 C ATOM 528 O ASP A 37 1.080 1.896 -8.836 1.00 0.00 O ATOM 529 CB ASP A 37 -0.574 1.904 -11.212 1.00 0.00 C ATOM 530 CG ASP A 37 0.198 3.103 -11.728 1.00 0.00 C ATOM 531 OD1 ASP A 37 1.188 3.497 -11.077 1.00 0.00 O ATOM 532 OD2 ASP A 37 -0.187 3.645 -12.785 1.00 0.00 O ATOM 0 H ASP A 37 -1.309 -0.519 -11.076 1.00 0.00 H new ATOM 0 HA ASP A 37 1.269 0.812 -11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.269 1.565 -11.980 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.171 2.203 -10.351 1.00 0.00 H new ATOM 537 N THR A 38 0.530 -0.275 -8.621 1.00 0.00 N ATOM 538 CA THR A 38 0.820 -0.319 -7.194 1.00 0.00 C ATOM 539 C THR A 38 2.320 -0.247 -6.934 1.00 0.00 C ATOM 540 O THR A 38 3.099 -1.007 -7.510 1.00 0.00 O ATOM 541 CB THR A 38 0.261 -1.600 -6.546 1.00 0.00 C ATOM 542 OG1 THR A 38 0.191 -2.650 -7.517 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.122 -1.352 -5.961 1.00 0.00 C ATOM 0 H THR A 38 0.204 -1.159 -9.013 1.00 0.00 H new ATOM 0 HA THR A 38 0.334 0.548 -6.747 1.00 0.00 H new ATOM 0 HB THR A 38 0.932 -1.895 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.747 -2.885 -7.677 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.496 -2.271 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.061 -0.573 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.801 -1.035 -6.753 1.00 0.00 H new ATOM 551 N THR A 39 2.721 0.673 -6.062 1.00 0.00 N ATOM 552 CA THR A 39 4.129 0.846 -5.728 1.00 0.00 C ATOM 553 C THR A 39 4.454 0.217 -4.378 1.00 0.00 C ATOM 554 O THR A 39 3.644 0.258 -3.451 1.00 0.00 O ATOM 555 CB THR A 39 4.521 2.336 -5.694 1.00 0.00 C ATOM 556 OG1 THR A 39 4.205 2.897 -4.415 1.00 0.00 O ATOM 557 CG2 THR A 39 3.796 3.110 -6.786 1.00 0.00 C ATOM 0 H THR A 39 2.090 1.310 -5.575 1.00 0.00 H new ATOM 0 HA THR A 39 4.702 0.345 -6.508 1.00 0.00 H new ATOM 0 HB THR A 39 5.594 2.411 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.937 3.480 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.088 4.159 -6.743 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.061 2.699 -7.760 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.719 3.027 -6.638 1.00 0.00 H new ATOM 565 N PHE A 40 5.645 -0.364 -4.272 1.00 0.00 N ATOM 566 CA PHE A 40 6.077 -1.003 -3.034 1.00 0.00 C ATOM 567 C PHE A 40 7.322 -0.320 -2.476 1.00 0.00 C ATOM 568 O PHE A 40 8.279 -0.062 -3.206 1.00 0.00 O ATOM 569 CB PHE A 40 6.359 -2.487 -3.273 1.00 0.00 C ATOM 570 CG PHE A 40 5.192 -3.233 -3.855 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.738 -2.948 -5.132 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.547 -4.219 -3.123 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.665 -3.633 -5.671 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.475 -4.906 -3.657 1.00 0.00 C ATOM 575 CZ PHE A 40 3.031 -4.612 -4.932 1.00 0.00 C ATOM 0 H PHE A 40 6.328 -0.405 -5.028 1.00 0.00 H new ATOM 0 HA PHE A 40 5.273 -0.906 -2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.212 -2.583 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.642 -2.951 -2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.228 -2.181 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.887 -4.452 -2.125 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.323 -3.403 -6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.983 -5.674 -3.078 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.190 -5.146 -5.349 1.00 0.00 H new ATOM 585 N GLN A 41 7.301 -0.032 -1.179 1.00 0.00 N ATOM 586 CA GLN A 41 8.427 0.622 -0.523 1.00 0.00 C ATOM 587 C GLN A 41 8.843 -0.140 0.731 1.00 0.00 C ATOM 588 O GLN A 41 8.156 -0.098 1.752 1.00 0.00 O ATOM 589 CB GLN A 41 8.068 2.065 -0.163 1.00 0.00 C ATOM 590 CG GLN A 41 9.072 3.086 -0.670 1.00 0.00 C ATOM 591 CD GLN A 41 8.551 4.507 -0.588 1.00 0.00 C ATOM 592 OE1 GLN A 41 8.953 5.279 0.284 1.00 0.00 O ATOM 593 NE2 GLN A 41 7.652 4.861 -1.498 1.00 0.00 N ATOM 0 H GLN A 41 6.517 -0.241 -0.561 1.00 0.00 H new ATOM 0 HA GLN A 41 9.267 0.628 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.086 2.299 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.990 2.152 0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.991 3.006 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.328 2.856 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.347 4.189 -2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.266 5.805 -1.493 1.00 0.00 H new ATOM 602 N TYR A 42 9.972 -0.836 0.647 1.00 0.00 N ATOM 603 CA TYR A 42 10.479 -1.609 1.774 1.00 0.00 C ATOM 604 C TYR A 42 11.384 -0.756 2.657 1.00 0.00 C ATOM 605 O TYR A 42 12.274 -0.061 2.166 1.00 0.00 O ATOM 606 CB TYR A 42 11.244 -2.836 1.275 1.00 0.00 C ATOM 607 CG TYR A 42 10.389 -3.803 0.487 1.00 0.00 C ATOM 608 CD1 TYR A 42 10.213 -3.648 -0.883 1.00 0.00 C ATOM 609 CD2 TYR A 42 9.757 -4.872 1.111 1.00 0.00 C ATOM 610 CE1 TYR A 42 9.434 -4.528 -1.607 1.00 0.00 C ATOM 611 CE2 TYR A 42 8.976 -5.758 0.395 1.00 0.00 C ATOM 612 CZ TYR A 42 8.817 -5.582 -0.964 1.00 0.00 C ATOM 613 OH TYR A 42 8.040 -6.461 -1.682 1.00 0.00 O ATOM 0 H TYR A 42 10.553 -0.880 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 42 9.627 -1.938 2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 42 12.075 -2.507 0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.675 -3.358 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.694 -2.825 -1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.879 -5.012 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 42 9.308 -4.392 -2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 42 8.493 -6.584 0.896 1.00 0.00 H new ATOM 0 HH TYR A 42 7.277 -6.744 -1.136 1.00 0.00 H new ATOM 623 N PHE A 43 11.151 -0.815 3.964 1.00 0.00 N ATOM 624 CA PHE A 43 11.945 -0.048 4.918 1.00 0.00 C ATOM 625 C PHE A 43 12.755 -0.975 5.820 1.00 0.00 C ATOM 626 O PHE A 43 12.247 -1.491 6.817 1.00 0.00 O ATOM 627 CB PHE A 43 11.039 0.845 5.766 1.00 0.00 C ATOM 628 CG PHE A 43 10.196 1.787 4.956 1.00 0.00 C ATOM 629 CD1 PHE A 43 10.713 2.995 4.515 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.887 1.465 4.634 1.00 0.00 C ATOM 631 CE1 PHE A 43 9.940 3.864 3.768 1.00 0.00 C ATOM 632 CE2 PHE A 43 8.111 2.331 3.887 1.00 0.00 C ATOM 633 CZ PHE A 43 8.637 3.532 3.455 1.00 0.00 C ATOM 0 H PHE A 43 10.419 -1.386 4.387 1.00 0.00 H new ATOM 0 HA PHE A 43 12.637 0.579 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.387 0.216 6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.655 1.423 6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.731 3.260 4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.469 0.528 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.355 4.802 3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.093 2.068 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.030 4.210 2.873 1.00 0.00 H new ATOM 643 N LYS A 44 14.018 -1.182 5.465 1.00 0.00 N ATOM 644 CA LYS A 44 14.900 -2.046 6.240 1.00 0.00 C ATOM 645 C LYS A 44 14.993 -1.569 7.687 1.00 0.00 C ATOM 646 O LYS A 44 14.979 -0.369 7.957 1.00 0.00 O ATOM 647 CB LYS A 44 16.296 -2.079 5.613 1.00 0.00 C ATOM 648 CG LYS A 44 17.088 -3.328 5.958 1.00 0.00 C ATOM 649 CD LYS A 44 17.933 -3.794 4.784 1.00 0.00 C ATOM 650 CE LYS A 44 19.400 -3.448 4.981 1.00 0.00 C ATOM 651 NZ LYS A 44 20.122 -3.334 3.683 1.00 0.00 N ATOM 0 H LYS A 44 14.454 -0.762 4.644 1.00 0.00 H new ATOM 0 HA LYS A 44 14.481 -3.052 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.200 -2.007 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.854 -1.203 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.732 -3.127 6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.404 -4.124 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.826 -4.872 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.569 -3.332 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.481 -2.507 5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.875 -4.214 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.119 -3.097 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.066 -4.239 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.685 -2.586 3.107 1.00 0.00 H new ATOM 665 N SER A 45 15.089 -2.518 8.613 1.00 0.00 N ATOM 666 CA SER A 45 15.182 -2.195 10.032 1.00 0.00 C ATOM 667 C SER A 45 13.803 -1.895 10.611 1.00 0.00 C ATOM 668 O SER A 45 13.459 -2.361 11.698 1.00 0.00 O ATOM 669 CB SER A 45 16.109 -0.997 10.244 1.00 0.00 C ATOM 670 OG SER A 45 16.755 -1.069 11.504 1.00 0.00 O ATOM 0 H SER A 45 15.104 -3.517 8.406 1.00 0.00 H new ATOM 0 HA SER A 45 15.595 -3.060 10.551 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.855 -0.966 9.450 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.535 -0.073 10.178 1.00 0.00 H new ATOM 0 HG SER A 45 17.343 -0.293 11.615 1.00 0.00 H new ATOM 676 N PHE A 46 13.016 -1.115 9.877 1.00 0.00 N ATOM 677 CA PHE A 46 11.674 -0.750 10.318 1.00 0.00 C ATOM 678 C PHE A 46 10.689 -1.886 10.054 1.00 0.00 C ATOM 679 O PHE A 46 9.515 -1.800 10.415 1.00 0.00 O ATOM 680 CB PHE A 46 11.208 0.520 9.606 1.00 0.00 C ATOM 681 CG PHE A 46 11.974 1.748 10.009 1.00 0.00 C ATOM 682 CD1 PHE A 46 11.604 2.476 11.128 1.00 0.00 C ATOM 683 CD2 PHE A 46 13.064 2.175 9.269 1.00 0.00 C ATOM 684 CE1 PHE A 46 12.305 3.606 11.501 1.00 0.00 C ATOM 685 CE2 PHE A 46 13.771 3.305 9.636 1.00 0.00 C ATOM 686 CZ PHE A 46 13.392 4.020 10.755 1.00 0.00 C ATOM 0 H PHE A 46 13.284 -0.723 8.974 1.00 0.00 H new ATOM 0 HA PHE A 46 11.709 -0.563 11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 46 11.303 0.379 8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 46 10.150 0.677 9.815 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.757 2.156 11.716 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.366 1.618 8.394 1.00 0.00 H new ATOM 0 HE1 PHE A 46 12.004 4.165 12.375 1.00 0.00 H new ATOM 0 HE2 PHE A 46 14.618 3.628 9.049 1.00 0.00 H new ATOM 0 HZ PHE A 46 13.944 4.901 11.047 1.00 0.00 H new ATOM 696 N LYS A 47 11.174 -2.949 9.422 1.00 0.00 N ATOM 697 CA LYS A 47 10.340 -4.101 9.110 1.00 0.00 C ATOM 698 C LYS A 47 8.956 -3.661 8.642 1.00 0.00 C ATOM 699 O LYS A 47 7.941 -4.212 9.069 1.00 0.00 O ATOM 700 CB LYS A 47 10.210 -5.010 10.334 1.00 0.00 C ATOM 701 CG LYS A 47 11.544 -5.389 10.954 1.00 0.00 C ATOM 702 CD LYS A 47 12.098 -6.666 10.347 1.00 0.00 C ATOM 703 CE LYS A 47 13.574 -6.844 10.672 1.00 0.00 C ATOM 704 NZ LYS A 47 14.411 -6.893 9.441 1.00 0.00 N ATOM 0 H LYS A 47 12.143 -3.036 9.116 1.00 0.00 H new ATOM 0 HA LYS A 47 10.818 -4.655 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.599 -4.509 11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.681 -5.919 10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.257 -4.577 10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.423 -5.519 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.536 -7.522 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.963 -6.645 9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.908 -6.022 11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.712 -7.763 11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.410 -7.015 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.109 -7.692 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.299 -6.006 8.910 1.00 0.00 H new ATOM 718 N ARG A 48 8.923 -2.665 7.763 1.00 0.00 N ATOM 719 CA ARG A 48 7.664 -2.150 7.239 1.00 0.00 C ATOM 720 C ARG A 48 7.684 -2.116 5.713 1.00 0.00 C ATOM 721 O ARG A 48 8.747 -2.030 5.097 1.00 0.00 O ATOM 722 CB ARG A 48 7.393 -0.748 7.786 1.00 0.00 C ATOM 723 CG ARG A 48 6.727 -0.745 9.152 1.00 0.00 C ATOM 724 CD ARG A 48 6.086 0.599 9.457 1.00 0.00 C ATOM 725 NE ARG A 48 4.892 0.460 10.286 1.00 0.00 N ATOM 726 CZ ARG A 48 4.319 1.475 10.926 1.00 0.00 C ATOM 727 NH1 ARG A 48 4.829 2.696 10.832 1.00 0.00 N ATOM 728 NH2 ARG A 48 3.234 1.269 11.662 1.00 0.00 N ATOM 0 H ARG A 48 9.754 -2.199 7.399 1.00 0.00 H new ATOM 0 HA ARG A 48 6.866 -2.819 7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.335 -0.204 7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.760 -0.208 7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.969 -1.528 9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.466 -0.979 9.919 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.808 1.238 9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.823 1.096 8.523 1.00 0.00 H new ATOM 0 HE ARG A 48 4.475 -0.466 10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.663 2.858 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.387 3.473 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.839 0.332 11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.795 2.048 12.153 1.00 0.00 H new ATOM 742 N VAL A 49 6.502 -2.187 5.109 1.00 0.00 N ATOM 743 CA VAL A 49 6.383 -2.165 3.656 1.00 0.00 C ATOM 744 C VAL A 49 5.190 -1.324 3.215 1.00 0.00 C ATOM 745 O VAL A 49 4.042 -1.756 3.321 1.00 0.00 O ATOM 746 CB VAL A 49 6.236 -3.587 3.083 1.00 0.00 C ATOM 747 CG1 VAL A 49 6.586 -3.605 1.602 1.00 0.00 C ATOM 748 CG2 VAL A 49 7.106 -4.565 3.856 1.00 0.00 C ATOM 0 H VAL A 49 5.613 -2.260 5.604 1.00 0.00 H new ATOM 0 HA VAL A 49 7.300 -1.720 3.270 1.00 0.00 H new ATOM 0 HB VAL A 49 5.197 -3.897 3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.476 -4.618 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.917 -2.935 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.616 -3.275 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.990 -5.565 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.150 -4.260 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.803 -4.572 4.903 1.00 0.00 H new ATOM 758 N ARG A 50 5.470 -0.123 2.719 1.00 0.00 N ATOM 759 CA ARG A 50 4.419 0.778 2.263 1.00 0.00 C ATOM 760 C ARG A 50 4.011 0.455 0.829 1.00 0.00 C ATOM 761 O ARG A 50 4.803 0.607 -0.102 1.00 0.00 O ATOM 762 CB ARG A 50 4.888 2.231 2.355 1.00 0.00 C ATOM 763 CG ARG A 50 3.860 3.236 1.862 1.00 0.00 C ATOM 764 CD ARG A 50 3.786 4.451 2.774 1.00 0.00 C ATOM 765 NE ARG A 50 3.089 5.568 2.142 1.00 0.00 N ATOM 766 CZ ARG A 50 2.790 6.699 2.772 1.00 0.00 C ATOM 767 NH1 ARG A 50 3.127 6.861 4.044 1.00 0.00 N ATOM 768 NH2 ARG A 50 2.154 7.670 2.130 1.00 0.00 N ATOM 0 H ARG A 50 6.415 0.248 2.623 1.00 0.00 H new ATOM 0 HA ARG A 50 3.552 0.641 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.138 2.458 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.803 2.346 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.116 3.554 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.881 2.760 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.274 4.180 3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.795 4.761 3.047 1.00 0.00 H new ATOM 0 HE ARG A 50 2.817 5.475 1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.617 6.117 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.897 7.730 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.894 7.549 1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.925 8.538 2.615 1.00 0.00 H new ATOM 782 N ILE A 51 2.771 0.008 0.658 1.00 0.00 N ATOM 783 CA ILE A 51 2.258 -0.336 -0.662 1.00 0.00 C ATOM 784 C ILE A 51 1.189 0.654 -1.112 1.00 0.00 C ATOM 785 O ILE A 51 0.071 0.652 -0.599 1.00 0.00 O ATOM 786 CB ILE A 51 1.667 -1.757 -0.683 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.711 -2.775 -0.218 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.167 -2.102 -2.078 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.178 -3.770 0.789 1.00 0.00 C ATOM 0 H ILE A 51 2.103 -0.124 1.418 1.00 0.00 H new ATOM 0 HA ILE A 51 3.102 -0.292 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 51 0.822 -1.793 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.091 -3.316 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.555 -2.243 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.752 -3.110 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.395 -1.392 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.996 -2.052 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.972 -4.460 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.824 -3.239 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.353 -4.328 0.347 1.00 0.00 H new ATOM 801 N ASN A 52 1.540 1.499 -2.076 1.00 0.00 N ATOM 802 CA ASN A 52 0.610 2.495 -2.596 1.00 0.00 C ATOM 803 C ASN A 52 -0.156 1.948 -3.796 1.00 0.00 C ATOM 804 O ASN A 52 0.414 1.280 -4.659 1.00 0.00 O ATOM 805 CB ASN A 52 1.362 3.766 -2.994 1.00 0.00 C ATOM 806 CG ASN A 52 2.011 4.450 -1.806 1.00 0.00 C ATOM 807 OD1 ASN A 52 1.330 4.881 -0.876 1.00 0.00 O ATOM 808 ND2 ASN A 52 3.335 4.551 -1.832 1.00 0.00 N ATOM 0 H ASN A 52 2.462 1.514 -2.513 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.105 2.735 -1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.127 3.517 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.671 4.458 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.827 5.000 -1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.859 4.179 -2.624 1.00 0.00 H new ATOM 815 N PHE A 53 -1.452 2.236 -3.845 1.00 0.00 N ATOM 816 CA PHE A 53 -2.299 1.772 -4.939 1.00 0.00 C ATOM 817 C PHE A 53 -2.770 2.944 -5.795 1.00 0.00 C ATOM 818 O PHE A 53 -2.519 4.104 -5.470 1.00 0.00 O ATOM 819 CB PHE A 53 -3.505 1.009 -4.390 1.00 0.00 C ATOM 820 CG PHE A 53 -3.132 -0.166 -3.532 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.562 0.024 -2.284 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.349 -1.461 -3.975 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.218 -1.054 -1.491 1.00 0.00 C ATOM 824 CE2 PHE A 53 -3.006 -2.544 -3.187 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.440 -2.340 -1.945 1.00 0.00 C ATOM 0 H PHE A 53 -1.940 2.789 -3.140 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.709 1.102 -5.564 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.123 1.693 -3.807 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.115 0.661 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.384 1.027 -1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.791 -1.626 -4.947 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.777 -0.892 -0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.181 -3.549 -3.543 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.171 -3.185 -1.328 1.00 0.00 H new ATOM 835 N SER A 54 -3.455 2.631 -6.890 1.00 0.00 N ATOM 836 CA SER A 54 -3.959 3.657 -7.796 1.00 0.00 C ATOM 837 C SER A 54 -5.398 4.028 -7.451 1.00 0.00 C ATOM 838 O SER A 54 -5.910 5.054 -7.894 1.00 0.00 O ATOM 839 CB SER A 54 -3.879 3.172 -9.245 1.00 0.00 C ATOM 840 OG SER A 54 -5.165 2.857 -9.749 1.00 0.00 O ATOM 0 H SER A 54 -3.674 1.675 -7.172 1.00 0.00 H new ATOM 0 HA SER A 54 -3.336 4.544 -7.682 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.421 3.943 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.237 2.293 -9.303 1.00 0.00 H new ATOM 0 HG SER A 54 -5.087 2.551 -10.677 1.00 0.00 H new ATOM 846 N ASN A 55 -6.046 3.182 -6.656 1.00 0.00 N ATOM 847 CA ASN A 55 -7.426 3.419 -6.251 1.00 0.00 C ATOM 848 C ASN A 55 -7.671 2.916 -4.831 1.00 0.00 C ATOM 849 O ASN A 55 -7.068 1.944 -4.377 1.00 0.00 O ATOM 850 CB ASN A 55 -8.390 2.730 -7.220 1.00 0.00 C ATOM 851 CG ASN A 55 -8.073 1.258 -7.402 1.00 0.00 C ATOM 852 OD1 ASN A 55 -7.572 0.603 -6.488 1.00 0.00 O ATOM 853 ND2 ASN A 55 -8.366 0.733 -8.585 1.00 0.00 N ATOM 0 H ASN A 55 -5.637 2.327 -6.280 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.604 4.494 -6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.410 2.836 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.348 3.230 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.177 -0.253 -8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.781 1.315 -9.313 1.00 0.00 H new ATOM 860 N PRO A 56 -8.578 3.594 -4.111 1.00 0.00 N ATOM 861 CA PRO A 56 -8.924 3.235 -2.733 1.00 0.00 C ATOM 862 C PRO A 56 -9.697 1.922 -2.653 1.00 0.00 C ATOM 863 O PRO A 56 -10.060 1.469 -1.567 1.00 0.00 O ATOM 864 CB PRO A 56 -9.801 4.401 -2.272 1.00 0.00 C ATOM 865 CG PRO A 56 -10.381 4.958 -3.526 1.00 0.00 C ATOM 866 CD PRO A 56 -9.335 4.764 -4.588 1.00 0.00 C ATOM 0 HA PRO A 56 -8.038 3.081 -2.117 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.582 4.064 -1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.215 5.151 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.305 4.444 -3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.626 6.014 -3.408 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.783 4.582 -5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.697 5.642 -4.689 1.00 0.00 H new ATOM 874 N LEU A 57 -9.944 1.316 -3.808 1.00 0.00 N ATOM 875 CA LEU A 57 -10.674 0.055 -3.870 1.00 0.00 C ATOM 876 C LEU A 57 -9.753 -1.123 -3.566 1.00 0.00 C ATOM 877 O LEU A 57 -9.890 -1.781 -2.535 1.00 0.00 O ATOM 878 CB LEU A 57 -11.310 -0.124 -5.249 1.00 0.00 C ATOM 879 CG LEU A 57 -12.367 0.910 -5.640 1.00 0.00 C ATOM 880 CD1 LEU A 57 -11.856 1.799 -6.763 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.661 0.221 -6.049 1.00 0.00 C ATOM 0 H LEU A 57 -9.649 1.677 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.460 0.083 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.518 -0.105 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.765 -1.113 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 57 -12.571 1.538 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.622 2.528 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.957 2.320 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.622 1.187 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.402 0.972 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.472 -0.432 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.037 -0.371 -5.215 1.00 0.00 H new ATOM 893 N SER A 58 -8.812 -1.380 -4.470 1.00 0.00 N ATOM 894 CA SER A 58 -7.869 -2.479 -4.299 1.00 0.00 C ATOM 895 C SER A 58 -7.298 -2.490 -2.885 1.00 0.00 C ATOM 896 O SER A 58 -7.327 -3.512 -2.199 1.00 0.00 O ATOM 897 CB SER A 58 -6.734 -2.367 -5.319 1.00 0.00 C ATOM 898 OG SER A 58 -6.596 -3.567 -6.062 1.00 0.00 O ATOM 0 H SER A 58 -8.683 -0.842 -5.327 1.00 0.00 H new ATOM 0 HA SER A 58 -8.405 -3.414 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.931 -1.536 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.799 -2.144 -4.805 1.00 0.00 H new ATOM 0 HG SER A 58 -5.866 -3.470 -6.708 1.00 0.00 H new ATOM 904 N ALA A 59 -6.777 -1.345 -2.455 1.00 0.00 N ATOM 905 CA ALA A 59 -6.201 -1.221 -1.122 1.00 0.00 C ATOM 906 C ALA A 59 -7.009 -2.011 -0.099 1.00 0.00 C ATOM 907 O ALA A 59 -6.450 -2.608 0.821 1.00 0.00 O ATOM 908 CB ALA A 59 -6.118 0.243 -0.716 1.00 0.00 C ATOM 0 H ALA A 59 -6.742 -0.490 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.194 -1.636 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.686 0.320 0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.491 0.782 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.118 0.677 -0.713 1.00 0.00 H new ATOM 914 N ALA A 60 -8.328 -2.008 -0.263 1.00 0.00 N ATOM 915 CA ALA A 60 -9.213 -2.726 0.646 1.00 0.00 C ATOM 916 C ALA A 60 -9.059 -4.234 0.485 1.00 0.00 C ATOM 917 O ALA A 60 -8.689 -4.935 1.428 1.00 0.00 O ATOM 918 CB ALA A 60 -10.658 -2.312 0.411 1.00 0.00 C ATOM 0 H ALA A 60 -8.807 -1.516 -1.017 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.934 -2.466 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.308 -2.856 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.762 -1.241 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.940 -2.542 -0.616 1.00 0.00 H new ATOM 924 N ASP A 61 -9.347 -4.729 -0.714 1.00 0.00 N ATOM 925 CA ASP A 61 -9.240 -6.156 -0.998 1.00 0.00 C ATOM 926 C ASP A 61 -7.867 -6.688 -0.601 1.00 0.00 C ATOM 927 O ASP A 61 -7.741 -7.818 -0.132 1.00 0.00 O ATOM 928 CB ASP A 61 -9.494 -6.422 -2.483 1.00 0.00 C ATOM 929 CG ASP A 61 -10.747 -7.242 -2.719 1.00 0.00 C ATOM 930 OD1 ASP A 61 -11.847 -6.650 -2.753 1.00 0.00 O ATOM 931 OD2 ASP A 61 -10.628 -8.475 -2.869 1.00 0.00 O ATOM 0 H ASP A 61 -9.656 -4.164 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.995 -6.676 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.581 -5.472 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.636 -6.944 -2.907 1.00 0.00 H new ATOM 936 N ALA A 62 -6.841 -5.865 -0.792 1.00 0.00 N ATOM 937 CA ALA A 62 -5.477 -6.253 -0.452 1.00 0.00 C ATOM 938 C ALA A 62 -5.368 -6.641 1.017 1.00 0.00 C ATOM 939 O ALA A 62 -4.501 -7.428 1.399 1.00 0.00 O ATOM 940 CB ALA A 62 -4.512 -5.123 -0.776 1.00 0.00 C ATOM 0 H ALA A 62 -6.928 -4.926 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.212 -7.125 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.497 -5.426 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.563 -4.895 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.784 -4.237 -0.202 1.00 0.00 H new ATOM 946 N ARG A 63 -6.250 -6.084 1.840 1.00 0.00 N ATOM 947 CA ARG A 63 -6.251 -6.371 3.269 1.00 0.00 C ATOM 948 C ARG A 63 -6.904 -7.721 3.553 1.00 0.00 C ATOM 949 O ARG A 63 -6.314 -8.583 4.205 1.00 0.00 O ATOM 950 CB ARG A 63 -6.984 -5.266 4.033 1.00 0.00 C ATOM 951 CG ARG A 63 -7.152 -5.559 5.515 1.00 0.00 C ATOM 952 CD ARG A 63 -7.951 -4.469 6.211 1.00 0.00 C ATOM 953 NE ARG A 63 -8.154 -4.758 7.628 1.00 0.00 N ATOM 954 CZ ARG A 63 -9.077 -4.164 8.376 1.00 0.00 C ATOM 955 NH1 ARG A 63 -9.879 -3.253 7.843 1.00 0.00 N ATOM 956 NH2 ARG A 63 -9.200 -4.481 9.657 1.00 0.00 N ATOM 0 H ARG A 63 -6.974 -5.431 1.541 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.215 -6.410 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.437 -4.331 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.967 -5.118 3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.654 -6.518 5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.172 -5.648 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.432 -3.516 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.919 -4.360 5.721 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.553 -5.455 8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.788 -3.007 6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.587 -2.798 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.585 -5.182 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.909 -4.024 10.230 1.00 0.00 H new ATOM 970 N LEU A 64 -8.125 -7.895 3.061 1.00 0.00 N ATOM 971 CA LEU A 64 -8.860 -9.140 3.261 1.00 0.00 C ATOM 972 C LEU A 64 -8.100 -10.322 2.668 1.00 0.00 C ATOM 973 O LEU A 64 -8.061 -11.405 3.254 1.00 0.00 O ATOM 974 CB LEU A 64 -10.249 -9.042 2.629 1.00 0.00 C ATOM 975 CG LEU A 64 -10.381 -9.596 1.210 1.00 0.00 C ATOM 976 CD1 LEU A 64 -10.601 -11.100 1.242 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.518 -8.904 0.471 1.00 0.00 C ATOM 0 H LEU A 64 -8.627 -7.191 2.521 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.967 -9.302 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.956 -9.568 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.548 -7.994 2.618 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.452 -9.397 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.693 -11.476 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.754 -11.581 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.514 -11.322 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.597 -9.311 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.454 -9.071 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.318 -7.834 0.416 1.00 0.00 H new ATOM 989 N ARG A 65 -7.496 -10.107 1.504 1.00 0.00 N ATOM 990 CA ARG A 65 -6.737 -11.154 0.832 1.00 0.00 C ATOM 991 C ARG A 65 -5.382 -11.359 1.502 1.00 0.00 C ATOM 992 O ARG A 65 -4.634 -12.272 1.151 1.00 0.00 O ATOM 993 CB ARG A 65 -6.540 -10.804 -0.644 1.00 0.00 C ATOM 994 CG ARG A 65 -7.661 -11.299 -1.542 1.00 0.00 C ATOM 995 CD ARG A 65 -7.123 -12.110 -2.711 1.00 0.00 C ATOM 996 NE ARG A 65 -8.190 -12.570 -3.595 1.00 0.00 N ATOM 997 CZ ARG A 65 -8.023 -13.508 -4.521 1.00 0.00 C ATOM 998 NH1 ARG A 65 -6.838 -14.081 -4.683 1.00 0.00 N ATOM 999 NH2 ARG A 65 -9.042 -13.874 -5.287 1.00 0.00 N ATOM 0 H ARG A 65 -7.518 -9.217 1.007 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.304 -12.082 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.457 -9.722 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.597 -11.229 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.351 -11.911 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.229 -10.448 -1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.418 -11.503 -3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.570 -12.970 -2.332 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.114 -12.148 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.052 -13.802 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.713 -14.801 -5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.955 -13.435 -5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.913 -14.594 -5.998 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.071 -10.503 2.471 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.805 -10.589 3.191 1.00 0.00 C ATOM 1015 C LEU A 66 -4.018 -10.396 4.689 1.00 0.00 C ATOM 1016 O LEU A 66 -5.059 -10.767 5.232 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.824 -9.541 2.664 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.745 -9.399 1.144 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -2.068 -8.092 0.763 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -2.007 -10.581 0.535 1.00 0.00 C ATOM 0 H LEU A 66 -5.678 -9.742 2.775 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.388 -11.582 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.096 -8.573 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.829 -9.783 3.038 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.760 -9.387 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.021 -8.009 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.639 -7.256 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.058 -8.073 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.961 -10.462 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.996 -10.626 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.535 -11.503 0.777 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.024 -9.812 5.352 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.103 -9.567 6.787 1.00 0.00 C ATOM 1034 C HIS A 67 -2.698 -10.809 7.573 1.00 0.00 C ATOM 1035 O HIS A 67 -1.818 -11.563 7.155 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.519 -9.143 7.176 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.569 -8.250 8.378 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.458 -7.609 8.885 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.603 -7.890 9.173 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.807 -6.896 9.941 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.105 -7.048 10.136 1.00 0.00 N ATOM 0 H HIS A 67 -2.155 -9.500 4.918 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.410 -8.762 7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.980 -8.629 6.333 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.116 -10.034 7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.630 -8.207 9.069 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.144 -6.292 10.543 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.648 -6.611 10.881 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.344 -11.019 8.715 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.052 -12.170 9.562 1.00 0.00 C ATOM 1051 C LYS A 68 -2.695 -13.389 8.717 1.00 0.00 C ATOM 1052 O LYS A 68 -1.899 -14.233 9.130 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.252 -12.489 10.455 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.380 -11.567 11.655 1.00 0.00 C ATOM 1055 CD LYS A 68 -5.800 -11.547 12.195 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.512 -10.249 11.843 1.00 0.00 C ATOM 1057 NZ LYS A 68 -6.805 -9.432 13.053 1.00 0.00 N ATOM 0 H LYS A 68 -4.075 -10.406 9.076 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.196 -11.921 10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.163 -12.426 9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.170 -13.518 10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.696 -11.892 12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.083 -10.557 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.357 -12.391 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.780 -11.670 13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.895 -9.671 11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.443 -10.475 11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.290 -8.556 12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.415 -9.974 13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.915 -9.195 13.536 1.00 0.00 H new ATOM 1071 N THR A 69 -3.288 -13.475 7.530 1.00 0.00 N ATOM 1072 CA THR A 69 -3.032 -14.590 6.627 1.00 0.00 C ATOM 1073 C THR A 69 -1.596 -15.086 6.758 1.00 0.00 C ATOM 1074 O THR A 69 -0.651 -14.303 6.677 1.00 0.00 O ATOM 1075 CB THR A 69 -3.296 -14.198 5.161 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.561 -13.014 4.831 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.780 -13.963 4.922 1.00 0.00 C ATOM 0 H THR A 69 -3.949 -12.786 7.172 1.00 0.00 H new ATOM 0 HA THR A 69 -3.717 -15.389 6.911 1.00 0.00 H new ATOM 0 HB THR A 69 -2.967 -15.019 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.308 -12.546 5.654 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.942 -13.687 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.334 -14.875 5.146 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.130 -13.158 5.569 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.441 -16.390 6.960 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.119 -16.989 7.102 1.00 0.00 C ATOM 1087 C GLU A 70 0.687 -16.839 5.816 1.00 0.00 C ATOM 1088 O GLU A 70 0.593 -17.668 4.910 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.242 -18.469 7.469 1.00 0.00 C ATOM 1090 CG GLU A 70 -0.031 -18.749 8.947 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.396 -20.171 9.331 1.00 0.00 C ATOM 1092 OE1 GLU A 70 0.145 -21.109 8.708 1.00 0.00 O ATOM 1093 OE2 GLU A 70 -1.220 -20.345 10.252 1.00 0.00 O ATOM 0 H GLU A 70 -2.214 -17.052 7.029 1.00 0.00 H new ATOM 0 HA GLU A 70 0.404 -16.466 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.230 -18.826 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.486 -19.039 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.012 -18.564 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.631 -18.053 9.534 1.00 0.00 H new ATOM 1100 N PHE A 71 1.480 -15.774 5.742 1.00 0.00 N ATOM 1101 CA PHE A 71 2.302 -15.514 4.567 1.00 0.00 C ATOM 1102 C PHE A 71 3.526 -16.424 4.547 1.00 0.00 C ATOM 1103 O PHE A 71 4.498 -16.193 5.268 1.00 0.00 O ATOM 1104 CB PHE A 71 2.742 -14.048 4.541 1.00 0.00 C ATOM 1105 CG PHE A 71 3.812 -13.761 3.527 1.00 0.00 C ATOM 1106 CD1 PHE A 71 3.485 -13.534 2.200 1.00 0.00 C ATOM 1107 CD2 PHE A 71 5.145 -13.718 3.902 1.00 0.00 C ATOM 1108 CE1 PHE A 71 4.468 -13.270 1.266 1.00 0.00 C ATOM 1109 CE2 PHE A 71 6.133 -13.454 2.972 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.794 -13.229 1.652 1.00 0.00 C ATOM 0 H PHE A 71 1.570 -15.078 6.482 1.00 0.00 H new ATOM 0 HA PHE A 71 1.702 -15.722 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.876 -13.421 4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.105 -13.768 5.530 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.450 -13.564 1.892 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.415 -13.893 4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.200 -13.096 0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.169 -13.424 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.564 -13.022 0.923 1.00 0.00 H new ATOM 1120 N LEU A 72 3.473 -17.458 3.716 1.00 0.00 N ATOM 1121 CA LEU A 72 4.577 -18.405 3.601 1.00 0.00 C ATOM 1122 C LEU A 72 4.823 -19.119 4.926 1.00 0.00 C ATOM 1123 O LEU A 72 5.897 -19.673 5.155 1.00 0.00 O ATOM 1124 CB LEU A 72 5.850 -17.683 3.154 1.00 0.00 C ATOM 1125 CG LEU A 72 6.048 -17.546 1.644 1.00 0.00 C ATOM 1126 CD1 LEU A 72 6.057 -16.081 1.238 1.00 0.00 C ATOM 1127 CD2 LEU A 72 7.338 -18.229 1.212 1.00 0.00 C ATOM 0 H LEU A 72 2.677 -17.663 3.111 1.00 0.00 H new ATOM 0 HA LEU A 72 4.307 -19.150 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.851 -16.685 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.708 -18.213 3.566 1.00 0.00 H new ATOM 0 HG LEU A 72 5.214 -18.036 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.199 -16.003 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.108 -15.621 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.871 -15.567 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.463 -18.122 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.183 -17.768 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.293 -19.287 1.469 1.00 0.00 H new ATOM 1139 N GLY A 73 3.817 -19.104 5.797 1.00 0.00 N ATOM 1140 CA GLY A 73 3.943 -19.754 7.088 1.00 0.00 C ATOM 1141 C GLY A 73 4.010 -18.764 8.232 1.00 0.00 C ATOM 1142 O GLY A 73 3.686 -19.097 9.373 1.00 0.00 O ATOM 0 H GLY A 73 2.917 -18.653 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.095 -20.422 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.841 -20.372 7.094 1.00 0.00 H new ATOM 1146 N LYS A 74 4.434 -17.541 7.930 1.00 0.00 N ATOM 1147 CA LYS A 74 4.544 -16.496 8.941 1.00 0.00 C ATOM 1148 C LYS A 74 3.389 -15.507 8.830 1.00 0.00 C ATOM 1149 O LYS A 74 3.184 -14.896 7.781 1.00 0.00 O ATOM 1150 CB LYS A 74 5.878 -15.760 8.801 1.00 0.00 C ATOM 1151 CG LYS A 74 7.090 -16.653 9.001 1.00 0.00 C ATOM 1152 CD LYS A 74 7.693 -16.475 10.384 1.00 0.00 C ATOM 1153 CE LYS A 74 9.080 -17.092 10.471 1.00 0.00 C ATOM 1154 NZ LYS A 74 9.718 -16.837 11.793 1.00 0.00 N ATOM 0 H LYS A 74 4.707 -17.249 6.992 1.00 0.00 H new ATOM 0 HA LYS A 74 4.499 -16.969 9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.931 -15.307 7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.913 -14.947 9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.802 -17.695 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.840 -16.424 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.750 -15.413 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.042 -16.934 11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.011 -18.167 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.709 -16.685 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.662 -17.273 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.807 -15.812 11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.131 -17.248 12.547 1.00 0.00 H new ATOM 1168 N GLU A 75 2.640 -15.351 9.916 1.00 0.00 N ATOM 1169 CA GLU A 75 1.507 -14.434 9.938 1.00 0.00 C ATOM 1170 C GLU A 75 1.971 -12.992 9.750 1.00 0.00 C ATOM 1171 O GLU A 75 2.835 -12.507 10.481 1.00 0.00 O ATOM 1172 CB GLU A 75 0.740 -14.567 11.256 1.00 0.00 C ATOM 1173 CG GLU A 75 -0.322 -13.498 11.452 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.246 -12.843 12.817 1.00 0.00 C ATOM 1175 OE1 GLU A 75 0.840 -12.339 13.173 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -1.271 -12.834 13.529 1.00 0.00 O ATOM 0 H GLU A 75 2.797 -15.848 10.793 1.00 0.00 H new ATOM 0 HA GLU A 75 0.845 -14.695 9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.267 -15.548 11.294 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.447 -14.521 12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.211 -12.736 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.308 -13.943 11.321 1.00 0.00 H new ATOM 1183 N MET A 76 1.389 -12.313 8.767 1.00 0.00 N ATOM 1184 CA MET A 76 1.742 -10.927 8.483 1.00 0.00 C ATOM 1185 C MET A 76 0.612 -9.985 8.886 1.00 0.00 C ATOM 1186 O MET A 76 -0.535 -10.404 9.036 1.00 0.00 O ATOM 1187 CB MET A 76 2.060 -10.753 6.997 1.00 0.00 C ATOM 1188 CG MET A 76 1.803 -9.346 6.481 1.00 0.00 C ATOM 1189 SD MET A 76 2.211 -9.163 4.734 1.00 0.00 S ATOM 1190 CE MET A 76 0.939 -10.173 3.980 1.00 0.00 C ATOM 0 H MET A 76 0.671 -12.700 8.154 1.00 0.00 H new ATOM 0 HA MET A 76 2.627 -10.677 9.068 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.106 -11.009 6.825 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.461 -11.458 6.421 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.754 -9.093 6.634 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.390 -8.636 7.064 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.700 -9.779 2.992 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.297 -11.198 3.885 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.045 -10.157 4.603 1.00 0.00 H new ATOM 1200 N LYS A 77 0.945 -8.710 9.063 1.00 0.00 N ATOM 1201 CA LYS A 77 -0.041 -7.708 9.448 1.00 0.00 C ATOM 1202 C LYS A 77 -0.139 -6.608 8.395 1.00 0.00 C ATOM 1203 O LYS A 77 0.740 -6.470 7.545 1.00 0.00 O ATOM 1204 CB LYS A 77 0.322 -7.100 10.804 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.220 -7.884 11.987 1.00 0.00 C ATOM 1206 CD LYS A 77 0.402 -7.421 13.294 1.00 0.00 C ATOM 1207 CE LYS A 77 1.502 -8.365 13.753 1.00 0.00 C ATOM 1208 NZ LYS A 77 2.702 -7.625 14.236 1.00 0.00 N ATOM 0 H LYS A 77 1.891 -8.347 8.946 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.011 -8.200 9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.407 -7.038 10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.060 -6.080 10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.303 -7.768 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.020 -8.946 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.811 -6.418 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.368 -7.357 14.062 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.123 -9.003 14.551 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.786 -9.020 12.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.429 -8.304 14.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.079 -7.035 13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.437 -7.019 15.039 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.213 -5.828 8.460 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.425 -4.739 7.513 1.00 0.00 C ATOM 1224 C LEU A 78 -2.223 -3.608 8.154 1.00 0.00 C ATOM 1225 O LEU A 78 -3.305 -3.830 8.699 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.152 -5.252 6.269 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.271 -5.882 5.190 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -1.969 -7.080 4.565 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -0.915 -4.855 4.124 1.00 0.00 C ATOM 0 H LEU A 78 -1.950 -5.930 9.158 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.450 -4.350 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.891 -5.989 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.699 -4.421 5.824 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.348 -6.226 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.328 -7.516 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.173 -7.825 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.907 -6.759 4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.288 -5.321 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.828 -4.480 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.374 -4.027 4.583 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.685 -2.396 8.082 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.348 -1.231 8.655 1.00 0.00 C ATOM 1243 C TYR A 79 -2.659 -0.196 7.577 1.00 0.00 C ATOM 1244 O TYR A 79 -1.894 -0.022 6.629 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.473 -0.603 9.742 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.280 -1.491 10.950 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.371 -2.542 10.928 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -2.005 -1.278 12.117 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.192 -3.356 12.029 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -1.831 -2.085 13.223 1.00 0.00 C ATOM 1251 CZ TYR A 79 -0.923 -3.123 13.175 1.00 0.00 C ATOM 1252 OH TYR A 79 -0.747 -3.930 14.275 1.00 0.00 O ATOM 0 H TYR A 79 -0.792 -2.195 7.633 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.287 -1.561 9.099 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.498 -0.363 9.318 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.923 0.337 10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.206 -2.725 10.034 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.717 -0.467 12.159 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.516 -4.170 11.993 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.403 -1.905 14.121 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.337 -3.630 14.998 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.788 0.487 7.732 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.203 1.505 6.773 1.00 0.00 C ATOM 1264 C PHE A 80 -3.417 2.797 6.977 1.00 0.00 C ATOM 1265 O PHE A 80 -3.665 3.544 7.923 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.702 1.780 6.905 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.496 1.367 5.699 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -6.710 2.255 4.657 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -7.029 0.092 5.606 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -7.440 1.879 3.546 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -7.760 -0.291 4.498 1.00 0.00 C ATOM 1272 CZ PHE A 80 -7.966 0.604 3.465 1.00 0.00 C ATOM 0 H PHE A 80 -4.432 0.355 8.512 1.00 0.00 H new ATOM 0 HA PHE A 80 -3.997 1.130 5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.084 1.253 7.779 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.854 2.845 7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.301 3.253 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.871 -0.612 6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.599 2.581 2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.170 -1.288 4.439 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.536 0.308 2.597 1.00 0.00 H new