USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 77 THR OG1 : rot -54:sc= 0.152 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0.143 USER MOD Set 2.1: A 58 GLN : amide:sc= 0 X(o=-0.022,f=-0.33) USER MOD Set 2.2: A 65 THR OG1 : rot 150:sc= -0.0219 USER MOD Set 3.1: A 48 SER OG : rot 10:sc= 0.527 USER MOD Set 3.2: A 52 SER OG : rot -77:sc= 1.18 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 29 HIS : no HE2:sc= -6.39! C(o=-6.4!,f=-6.8!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 85:sc= 1.12 USER MOD Single : A 37 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.0021) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0188 (180deg=-0.231) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.197 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.29) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.627 K(o=-0.63,f=-0.11) USER MOD Single : A 73 ASN : amide:sc= -6.66! C(o=-6.7!,f=-5.8!) USER MOD Single : A 74 THR OG1 : rot 63:sc= 1.06 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0317 USER MOD Single : A 94 SER OG : rot 42:sc= 0.045 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 99 THR OG1 : rot 176:sc= 2.06 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 5.741 14.387 -3.336 1.00 0.00 N ATOM 67 CA PRO A 8 5.092 14.218 -2.033 1.00 0.00 C ATOM 68 C PRO A 8 3.626 13.819 -2.163 1.00 0.00 C ATOM 69 O PRO A 8 3.002 13.388 -1.193 1.00 0.00 O ATOM 70 CB PRO A 8 5.214 15.604 -1.394 1.00 0.00 C ATOM 71 CG PRO A 8 5.320 16.544 -2.545 1.00 0.00 C ATOM 72 CD PRO A 8 6.055 15.796 -3.623 1.00 0.00 C ATOM 0 HA PRO A 8 5.553 13.422 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.346 15.832 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.091 15.667 -0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.333 16.854 -2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.857 17.449 -2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.717 16.089 -4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.128 15.985 -3.583 1.00 0.00 H new ATOM 80 N ASP A 9 3.082 13.964 -3.366 1.00 0.00 N ATOM 81 CA ASP A 9 1.689 13.617 -3.623 1.00 0.00 C ATOM 82 C ASP A 9 1.314 12.317 -2.918 1.00 0.00 C ATOM 83 O ASP A 9 0.250 12.214 -2.309 1.00 0.00 O ATOM 84 CB ASP A 9 1.443 13.486 -5.127 1.00 0.00 C ATOM 85 CG ASP A 9 -0.032 13.512 -5.476 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.760 12.595 -5.043 1.00 0.00 O ATOM 87 OD2 ASP A 9 -0.458 14.449 -6.184 1.00 0.00 O ATOM 0 H ASP A 9 3.585 14.320 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 9 1.062 14.417 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.951 14.298 -5.648 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.882 12.554 -5.484 1.00 0.00 H new ATOM 92 N ALA A 10 2.196 11.327 -3.006 1.00 0.00 N ATOM 93 CA ALA A 10 1.958 10.034 -2.376 1.00 0.00 C ATOM 94 C ALA A 10 2.156 10.114 -0.867 1.00 0.00 C ATOM 95 O ALA A 10 2.845 10.995 -0.353 1.00 0.00 O ATOM 96 CB ALA A 10 2.875 8.978 -2.976 1.00 0.00 C ATOM 0 H ALA A 10 3.082 11.395 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 10 0.923 9.750 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.687 8.018 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.682 8.894 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.914 9.265 -2.817 1.00 0.00 H new ATOM 102 N PRO A 11 1.538 9.173 -0.137 1.00 0.00 N ATOM 103 CA PRO A 11 1.632 9.116 1.325 1.00 0.00 C ATOM 104 C PRO A 11 3.023 8.711 1.801 1.00 0.00 C ATOM 105 O PRO A 11 3.926 8.490 0.994 1.00 0.00 O ATOM 106 CB PRO A 11 0.605 8.047 1.705 1.00 0.00 C ATOM 107 CG PRO A 11 0.492 7.183 0.496 1.00 0.00 C ATOM 108 CD PRO A 11 0.701 8.092 -0.683 1.00 0.00 C ATOM 0 HA PRO A 11 1.446 10.087 1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.933 7.474 2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.355 8.494 1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.238 6.388 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.485 6.702 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.197 7.576 -1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.245 8.472 -1.070 1.00 0.00 H new ATOM 116 N ARG A 12 3.188 8.615 3.116 1.00 0.00 N ATOM 117 CA ARG A 12 4.470 8.237 3.699 1.00 0.00 C ATOM 118 C ARG A 12 4.270 7.485 5.012 1.00 0.00 C ATOM 119 O ARG A 12 3.216 7.583 5.640 1.00 0.00 O ATOM 120 CB ARG A 12 5.332 9.479 3.937 1.00 0.00 C ATOM 121 CG ARG A 12 5.392 10.417 2.742 1.00 0.00 C ATOM 122 CD ARG A 12 6.021 11.751 3.112 1.00 0.00 C ATOM 123 NE ARG A 12 7.460 11.635 3.332 1.00 0.00 N ATOM 124 CZ ARG A 12 8.349 11.543 2.348 1.00 0.00 C ATOM 125 NH1 ARG A 12 7.947 11.554 1.084 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.642 11.440 2.628 1.00 0.00 N ATOM 0 H ARG A 12 2.451 8.794 3.798 1.00 0.00 H new ATOM 0 HA ARG A 12 4.980 7.578 2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.940 10.023 4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.344 9.165 4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.967 9.952 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.386 10.582 2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.833 12.473 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.546 12.138 4.014 1.00 0.00 H new ATOM 0 HE ARG A 12 7.802 11.624 4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.954 11.633 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.631 11.483 0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.954 11.431 3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.323 11.369 1.872 1.00 0.00 H new ATOM 140 N ASN A 13 5.288 6.735 5.420 1.00 0.00 N ATOM 141 CA ASN A 13 5.223 5.966 6.657 1.00 0.00 C ATOM 142 C ASN A 13 4.305 4.757 6.498 1.00 0.00 C ATOM 143 O ASN A 13 3.433 4.512 7.333 1.00 0.00 O ATOM 144 CB ASN A 13 4.730 6.848 7.805 1.00 0.00 C ATOM 145 CG ASN A 13 5.180 6.337 9.161 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.349 6.460 9.526 1.00 0.00 O ATOM 147 ND2 ASN A 13 4.250 5.760 9.913 1.00 0.00 N ATOM 0 H ASN A 13 6.168 6.643 4.912 1.00 0.00 H new ATOM 0 HA ASN A 13 6.227 5.610 6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.097 7.864 7.662 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.641 6.896 7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.493 5.397 10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.293 5.680 9.569 1.00 0.00 H new ATOM 154 N LEU A 14 4.507 4.005 5.422 1.00 0.00 N ATOM 155 CA LEU A 14 3.698 2.821 5.153 1.00 0.00 C ATOM 156 C LEU A 14 4.023 1.704 6.139 1.00 0.00 C ATOM 157 O LEU A 14 5.009 0.986 5.973 1.00 0.00 O ATOM 158 CB LEU A 14 3.928 2.336 3.721 1.00 0.00 C ATOM 159 CG LEU A 14 3.144 1.093 3.299 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.648 1.347 3.394 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.527 0.674 1.888 1.00 0.00 C ATOM 0 H LEU A 14 5.224 4.194 4.721 1.00 0.00 H new ATOM 0 HA LEU A 14 2.649 3.093 5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.677 3.148 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.991 2.131 3.595 1.00 0.00 H new ATOM 0 HG LEU A 14 3.397 0.280 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.107 0.451 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.386 1.598 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.377 2.175 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.959 -0.212 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.304 1.485 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.593 0.449 1.852 1.00 0.00 H new ATOM 173 N GLN A 15 3.188 1.563 7.164 1.00 0.00 N ATOM 174 CA GLN A 15 3.387 0.532 8.175 1.00 0.00 C ATOM 175 C GLN A 15 2.230 -0.461 8.175 1.00 0.00 C ATOM 176 O GLN A 15 1.104 -0.118 8.539 1.00 0.00 O ATOM 177 CB GLN A 15 3.531 1.167 9.559 1.00 0.00 C ATOM 178 CG GLN A 15 4.950 1.604 9.884 1.00 0.00 C ATOM 179 CD GLN A 15 5.129 1.967 11.345 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.256 2.586 11.954 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.265 1.584 11.915 1.00 0.00 N ATOM 0 H GLN A 15 2.368 2.150 7.316 1.00 0.00 H new ATOM 0 HA GLN A 15 4.303 -0.007 7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.870 2.031 9.623 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.198 0.454 10.313 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.641 0.802 9.626 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.212 2.462 9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.961 1.073 11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.442 1.801 12.896 1.00 0.00 H new ATOM 190 N LEU A 16 2.513 -1.692 7.765 1.00 0.00 N ATOM 191 CA LEU A 16 1.495 -2.736 7.718 1.00 0.00 C ATOM 192 C LEU A 16 1.403 -3.468 9.053 1.00 0.00 C ATOM 193 O LEU A 16 2.397 -3.608 9.765 1.00 0.00 O ATOM 194 CB LEU A 16 1.808 -3.731 6.598 1.00 0.00 C ATOM 195 CG LEU A 16 2.217 -3.124 5.256 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.393 -1.881 4.958 1.00 0.00 C ATOM 197 CD2 LEU A 16 3.703 -2.794 5.250 1.00 0.00 C ATOM 0 H LEU A 16 3.439 -1.992 7.460 1.00 0.00 H new ATOM 0 HA LEU A 16 0.534 -2.263 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.609 -4.388 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.929 -4.356 6.439 1.00 0.00 H new ATOM 0 HG LEU A 16 2.025 -3.859 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.699 -1.463 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.336 -2.146 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.553 -1.142 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.976 -2.363 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.920 -2.078 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.279 -3.705 5.416 1.00 0.00 H new ATOM 209 N SER A 17 0.203 -3.934 9.384 1.00 0.00 N ATOM 210 CA SER A 17 -0.020 -4.651 10.635 1.00 0.00 C ATOM 211 C SER A 17 -1.008 -5.796 10.436 1.00 0.00 C ATOM 212 O SER A 17 -1.506 -6.017 9.332 1.00 0.00 O ATOM 213 CB SER A 17 -0.539 -3.694 11.710 1.00 0.00 C ATOM 214 OG SER A 17 -0.048 -2.381 11.504 1.00 0.00 O ATOM 0 H SER A 17 -0.629 -3.828 8.804 1.00 0.00 H new ATOM 0 HA SER A 17 0.932 -5.069 10.961 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.629 -3.684 11.697 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.235 -4.049 12.695 1.00 0.00 H new ATOM 0 HG SER A 17 -0.395 -1.788 12.203 1.00 0.00 H new ATOM 220 N LEU A 18 -1.287 -6.521 11.513 1.00 0.00 N ATOM 221 CA LEU A 18 -2.216 -7.645 11.459 1.00 0.00 C ATOM 222 C LEU A 18 -3.170 -7.620 12.650 1.00 0.00 C ATOM 223 O LEU A 18 -2.766 -7.425 13.796 1.00 0.00 O ATOM 224 CB LEU A 18 -1.448 -8.967 11.434 1.00 0.00 C ATOM 225 CG LEU A 18 -0.516 -9.179 10.241 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.660 -10.060 10.632 1.00 0.00 C ATOM 227 CD2 LEU A 18 -1.276 -9.790 9.072 1.00 0.00 C ATOM 0 H LEU A 18 -0.884 -6.351 12.434 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.803 -7.556 10.545 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.858 -9.039 12.348 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.169 -9.784 11.456 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.129 -8.208 9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.312 -10.200 9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.220 -9.584 11.437 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.292 -11.029 10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.597 -9.934 8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.692 -10.752 9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.085 -9.122 8.775 1.00 0.00 H new ATOM 239 N PRO A 19 -4.467 -7.824 12.374 1.00 0.00 N ATOM 240 CA PRO A 19 -5.504 -7.833 13.409 1.00 0.00 C ATOM 241 C PRO A 19 -5.405 -9.052 14.319 1.00 0.00 C ATOM 242 O PRO A 19 -5.357 -10.189 13.847 1.00 0.00 O ATOM 243 CB PRO A 19 -6.807 -7.870 12.605 1.00 0.00 C ATOM 244 CG PRO A 19 -6.432 -8.496 11.306 1.00 0.00 C ATOM 245 CD PRO A 19 -5.019 -8.063 11.030 1.00 0.00 C ATOM 0 HA PRO A 19 -5.422 -6.974 14.075 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.573 -8.452 13.118 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.211 -6.868 12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.503 -9.582 11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.102 -8.173 10.509 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.460 -8.832 10.497 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.987 -7.163 10.416 1.00 0.00 H new ATOM 253 N ARG A 20 -5.375 -8.809 15.625 1.00 0.00 N ATOM 254 CA ARG A 20 -5.281 -9.888 16.601 1.00 0.00 C ATOM 255 C ARG A 20 -6.625 -10.592 16.765 1.00 0.00 C ATOM 256 O ARG A 20 -6.749 -11.540 17.540 1.00 0.00 O ATOM 257 CB ARG A 20 -4.810 -9.344 17.951 1.00 0.00 C ATOM 258 CG ARG A 20 -5.895 -8.614 18.726 1.00 0.00 C ATOM 259 CD ARG A 20 -5.400 -8.170 20.093 1.00 0.00 C ATOM 260 NE ARG A 20 -4.719 -6.880 20.037 1.00 0.00 N ATOM 261 CZ ARG A 20 -5.340 -5.730 19.799 1.00 0.00 C ATOM 262 NH1 ARG A 20 -6.650 -5.711 19.598 1.00 0.00 N ATOM 263 NH2 ARG A 20 -4.651 -4.597 19.764 1.00 0.00 N ATOM 0 H ARG A 20 -5.414 -7.874 16.032 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.553 -10.612 16.235 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.437 -10.170 18.556 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.973 -8.665 17.788 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.227 -7.745 18.158 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.760 -9.266 18.845 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.244 -8.105 20.780 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.720 -8.922 20.494 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.711 -6.861 20.189 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.183 -6.580 19.626 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.125 -4.827 19.415 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.643 -4.608 19.920 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.129 -3.715 19.581 1.00 0.00 H new ATOM 277 N GLU A 21 -7.628 -10.120 16.032 1.00 0.00 N ATOM 278 CA GLU A 21 -8.963 -10.703 16.098 1.00 0.00 C ATOM 279 C GLU A 21 -9.454 -11.098 14.708 1.00 0.00 C ATOM 280 O GLU A 21 -10.650 -11.284 14.490 1.00 0.00 O ATOM 281 CB GLU A 21 -9.943 -9.717 16.736 1.00 0.00 C ATOM 282 CG GLU A 21 -9.561 -8.261 16.532 1.00 0.00 C ATOM 283 CD GLU A 21 -10.406 -7.314 17.363 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.364 -7.420 18.607 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.108 -6.469 16.771 1.00 0.00 O ATOM 0 H GLU A 21 -7.542 -9.336 15.386 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.909 -11.601 16.714 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.936 -9.885 16.320 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.006 -9.921 17.805 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.511 -8.125 16.789 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.666 -8.006 15.478 1.00 0.00 H new ATOM 292 N ALA A 22 -8.520 -11.222 13.770 1.00 0.00 N ATOM 293 CA ALA A 22 -8.856 -11.596 12.402 1.00 0.00 C ATOM 294 C ALA A 22 -7.672 -12.260 11.707 1.00 0.00 C ATOM 295 O ALA A 22 -6.549 -11.759 11.762 1.00 0.00 O ATOM 296 CB ALA A 22 -9.313 -10.374 11.619 1.00 0.00 C ATOM 0 H ALA A 22 -7.525 -11.069 13.933 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.672 -12.317 12.439 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.561 -10.667 10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.193 -9.944 12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.513 -9.634 11.599 1.00 0.00 H new ATOM 302 N GLU A 23 -7.931 -13.389 11.056 1.00 0.00 N ATOM 303 CA GLU A 23 -6.885 -14.122 10.352 1.00 0.00 C ATOM 304 C GLU A 23 -6.893 -13.786 8.864 1.00 0.00 C ATOM 305 O GLU A 23 -7.894 -13.312 8.329 1.00 0.00 O ATOM 306 CB GLU A 23 -7.067 -15.628 10.548 1.00 0.00 C ATOM 307 CG GLU A 23 -6.907 -16.079 11.990 1.00 0.00 C ATOM 308 CD GLU A 23 -7.645 -17.371 12.283 1.00 0.00 C ATOM 309 OE1 GLU A 23 -7.208 -18.429 11.783 1.00 0.00 O ATOM 310 OE2 GLU A 23 -8.658 -17.324 13.011 1.00 0.00 O ATOM 0 H GLU A 23 -8.856 -13.816 11.001 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.923 -13.823 10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.058 -15.915 10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.342 -16.156 9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.848 -16.212 12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.274 -15.297 12.654 1.00 0.00 H new ATOM 317 N GLY A 24 -5.768 -14.037 8.200 1.00 0.00 N ATOM 318 CA GLY A 24 -5.666 -13.755 6.780 1.00 0.00 C ATOM 319 C GLY A 24 -6.041 -12.325 6.444 1.00 0.00 C ATOM 320 O GLY A 24 -6.647 -12.062 5.405 1.00 0.00 O ATOM 0 H GLY A 24 -4.926 -14.430 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.646 -13.948 6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.315 -14.436 6.230 1.00 0.00 H new ATOM 324 N VAL A 25 -5.682 -11.398 7.327 1.00 0.00 N ATOM 325 CA VAL A 25 -5.985 -9.987 7.119 1.00 0.00 C ATOM 326 C VAL A 25 -4.776 -9.113 7.434 1.00 0.00 C ATOM 327 O VAL A 25 -4.073 -9.341 8.419 1.00 0.00 O ATOM 328 CB VAL A 25 -7.173 -9.534 7.989 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.357 -8.027 7.898 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.443 -10.261 7.575 1.00 0.00 C ATOM 0 H VAL A 25 -5.181 -11.599 8.193 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.249 -9.871 6.068 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.959 -9.787 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.201 -7.725 8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.453 -7.528 8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.550 -7.746 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.272 -9.929 8.200 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.664 -10.041 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.304 -11.335 7.697 1.00 0.00 H new ATOM 340 N ILE A 26 -4.541 -8.112 6.593 1.00 0.00 N ATOM 341 CA ILE A 26 -3.418 -7.203 6.783 1.00 0.00 C ATOM 342 C ILE A 26 -3.890 -5.754 6.853 1.00 0.00 C ATOM 343 O ILE A 26 -4.493 -5.240 5.911 1.00 0.00 O ATOM 344 CB ILE A 26 -2.385 -7.340 5.649 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.764 -8.739 5.662 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.307 -6.275 5.783 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.924 -9.038 4.441 1.00 0.00 C ATOM 0 H ILE A 26 -5.113 -7.910 5.773 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.947 -7.476 7.727 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.893 -7.197 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.146 -8.845 6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.560 -9.480 5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.584 -6.385 4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.763 -5.287 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.800 -6.389 6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.516 -10.046 4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.543 -8.965 3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.107 -8.319 4.377 1.00 0.00 H new ATOM 359 N VAL A 27 -3.608 -5.100 7.975 1.00 0.00 N ATOM 360 CA VAL A 27 -4.000 -3.709 8.168 1.00 0.00 C ATOM 361 C VAL A 27 -2.878 -2.760 7.763 1.00 0.00 C ATOM 362 O VAL A 27 -1.908 -2.580 8.497 1.00 0.00 O ATOM 363 CB VAL A 27 -4.387 -3.432 9.633 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.795 -1.978 9.813 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.505 -4.366 10.073 1.00 0.00 C ATOM 0 H VAL A 27 -3.109 -5.511 8.764 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.867 -3.534 7.532 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.517 -3.620 10.262 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.065 -1.802 10.854 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.962 -1.330 9.539 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.651 -1.758 9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.766 -4.157 11.110 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.379 -4.211 9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.172 -5.400 9.984 1.00 0.00 H new ATOM 375 N GLY A 28 -3.018 -2.154 6.587 1.00 0.00 N ATOM 376 CA GLY A 28 -2.008 -1.230 6.104 1.00 0.00 C ATOM 377 C GLY A 28 -2.308 0.206 6.483 1.00 0.00 C ATOM 378 O GLY A 28 -3.424 0.688 6.286 1.00 0.00 O ATOM 0 H GLY A 28 -3.812 -2.287 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.037 -1.514 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.937 -1.309 5.019 1.00 0.00 H new ATOM 382 N HIS A 29 -1.310 0.893 7.030 1.00 0.00 N ATOM 383 CA HIS A 29 -1.473 2.284 7.439 1.00 0.00 C ATOM 384 C HIS A 29 -0.517 3.192 6.670 1.00 0.00 C ATOM 385 O HIS A 29 0.369 2.716 5.960 1.00 0.00 O ATOM 386 CB HIS A 29 -1.234 2.427 8.942 1.00 0.00 C ATOM 387 CG HIS A 29 -2.365 1.917 9.780 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.838 2.582 10.892 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.120 0.799 9.663 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.833 1.895 11.423 1.00 0.00 C ATOM 391 NE2 HIS A 29 -4.025 0.809 10.695 1.00 0.00 N ATOM 0 H HIS A 29 -0.380 0.510 7.200 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.495 2.587 7.211 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.324 1.890 9.209 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.065 3.478 9.176 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.476 3.466 11.249 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.027 0.041 8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.394 2.173 12.303 1.00 0.00 H new ATOM 399 N TRP A 30 -0.704 4.498 6.817 1.00 0.00 N ATOM 400 CA TRP A 30 0.142 5.472 6.136 1.00 0.00 C ATOM 401 C TRP A 30 -0.172 6.888 6.606 1.00 0.00 C ATOM 402 O TRP A 30 -1.100 7.102 7.385 1.00 0.00 O ATOM 403 CB TRP A 30 -0.045 5.370 4.622 1.00 0.00 C ATOM 404 CG TRP A 30 -1.465 5.567 4.184 1.00 0.00 C ATOM 405 CD1 TRP A 30 -2.056 6.744 3.822 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.473 4.557 4.065 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.370 6.526 3.485 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.650 5.193 3.625 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.495 3.177 4.285 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.834 4.495 3.403 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.671 2.486 4.065 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.827 3.145 3.626 1.00 0.00 C ATOM 0 H TRP A 30 -1.433 4.907 7.401 1.00 0.00 H new ATOM 0 HA TRP A 30 1.180 5.250 6.382 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.585 6.114 4.134 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.299 4.392 4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.563 7.705 3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.030 7.241 3.180 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.608 2.660 4.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.727 5.001 3.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.700 1.420 4.234 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.730 2.576 3.460 1.00 0.00 H new ATOM 423 N ALA A 31 0.606 7.853 6.125 1.00 0.00 N ATOM 424 CA ALA A 31 0.408 9.249 6.495 1.00 0.00 C ATOM 425 C ALA A 31 0.053 10.094 5.276 1.00 0.00 C ATOM 426 O ALA A 31 0.272 9.699 4.131 1.00 0.00 O ATOM 427 CB ALA A 31 1.655 9.797 7.173 1.00 0.00 C ATOM 0 H ALA A 31 1.379 7.693 5.479 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.425 9.299 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.493 10.840 7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.865 9.217 8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.501 9.727 6.490 1.00 0.00 H new ATOM 433 N PRO A 32 -0.511 11.285 5.525 1.00 0.00 N ATOM 434 CA PRO A 32 -0.910 12.210 4.461 1.00 0.00 C ATOM 435 C PRO A 32 0.290 12.819 3.742 1.00 0.00 C ATOM 436 O PRO A 32 1.345 13.051 4.332 1.00 0.00 O ATOM 437 CB PRO A 32 -1.692 13.294 5.207 1.00 0.00 C ATOM 438 CG PRO A 32 -1.158 13.257 6.597 1.00 0.00 C ATOM 439 CD PRO A 32 -0.803 11.821 6.866 1.00 0.00 C ATOM 0 HA PRO A 32 -1.485 11.710 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.544 14.273 4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.763 13.093 5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.284 13.900 6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.900 13.616 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.058 11.737 7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.625 11.286 7.342 1.00 0.00 H new ATOM 447 N PRO A 33 0.127 13.084 2.437 1.00 0.00 N ATOM 448 CA PRO A 33 1.186 13.670 1.610 1.00 0.00 C ATOM 449 C PRO A 33 1.466 15.125 1.972 1.00 0.00 C ATOM 450 O PRO A 33 0.571 15.848 2.411 1.00 0.00 O ATOM 451 CB PRO A 33 0.623 13.571 0.190 1.00 0.00 C ATOM 452 CG PRO A 33 -0.856 13.548 0.370 1.00 0.00 C ATOM 453 CD PRO A 33 -1.104 12.833 1.669 1.00 0.00 C ATOM 0 HA PRO A 33 2.138 13.156 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.935 14.419 -0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.975 12.670 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.261 14.559 0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.342 13.032 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.984 13.223 2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.271 11.767 1.515 1.00 0.00 H new ATOM 461 N ILE A 34 2.711 15.547 1.784 1.00 0.00 N ATOM 462 CA ILE A 34 3.107 16.916 2.089 1.00 0.00 C ATOM 463 C ILE A 34 2.367 17.913 1.203 1.00 0.00 C ATOM 464 O ILE A 34 1.893 18.947 1.675 1.00 0.00 O ATOM 465 CB ILE A 34 4.624 17.117 1.912 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.397 16.115 2.772 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.015 18.543 2.269 1.00 0.00 C ATOM 468 CD1 ILE A 34 6.869 16.036 2.432 1.00 0.00 C ATOM 0 H ILE A 34 3.463 14.961 1.422 1.00 0.00 H new ATOM 0 HA ILE A 34 2.844 17.095 3.132 1.00 0.00 H new ATOM 0 HB ILE A 34 4.879 16.943 0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.289 16.390 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.952 15.127 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.090 18.669 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.487 19.239 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.749 18.744 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.354 15.306 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.986 15.731 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.329 17.013 2.578 1.00 0.00 H new ATOM 480 N HIS A 35 2.270 17.594 -0.084 1.00 0.00 N ATOM 481 CA HIS A 35 1.585 18.461 -1.036 1.00 0.00 C ATOM 482 C HIS A 35 1.052 17.656 -2.217 1.00 0.00 C ATOM 483 O HIS A 35 1.740 16.785 -2.750 1.00 0.00 O ATOM 484 CB HIS A 35 2.530 19.555 -1.534 1.00 0.00 C ATOM 485 CG HIS A 35 1.822 20.777 -2.032 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.426 20.936 -3.343 1.00 0.00 N ATOM 487 CD2 HIS A 35 1.439 21.903 -1.385 1.00 0.00 C ATOM 488 CE1 HIS A 35 0.830 22.107 -3.481 1.00 0.00 C ATOM 489 NE2 HIS A 35 0.825 22.713 -2.308 1.00 0.00 N ATOM 0 H HIS A 35 2.657 16.742 -0.491 1.00 0.00 H new ATOM 0 HA HIS A 35 0.742 18.926 -0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.202 19.839 -0.724 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.149 19.152 -2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.589 22.123 -0.338 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.417 22.502 -4.398 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.429 23.634 -2.118 1.00 0.00 H new ATOM 497 N THR A 36 -0.180 17.952 -2.621 1.00 0.00 N ATOM 498 CA THR A 36 -0.806 17.254 -3.738 1.00 0.00 C ATOM 499 C THR A 36 -1.265 18.235 -4.811 1.00 0.00 C ATOM 500 O THR A 36 -1.554 19.396 -4.522 1.00 0.00 O ATOM 501 CB THR A 36 -2.013 16.419 -3.272 1.00 0.00 C ATOM 502 OG1 THR A 36 -3.004 17.272 -2.688 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.585 15.365 -2.261 1.00 0.00 C ATOM 0 H THR A 36 -0.764 18.670 -2.192 1.00 0.00 H new ATOM 0 HA THR A 36 -0.052 16.587 -4.157 1.00 0.00 H new ATOM 0 HB THR A 36 -2.435 15.916 -4.142 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.573 17.644 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.455 14.788 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.853 14.699 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.140 15.852 -1.393 1.00 0.00 H new ATOM 511 N HIS A 37 -1.329 17.760 -6.051 1.00 0.00 N ATOM 512 CA HIS A 37 -1.755 18.596 -7.168 1.00 0.00 C ATOM 513 C HIS A 37 -2.955 19.454 -6.779 1.00 0.00 C ATOM 514 O HIS A 37 -2.987 20.654 -7.048 1.00 0.00 O ATOM 515 CB HIS A 37 -2.104 17.729 -8.377 1.00 0.00 C ATOM 516 CG HIS A 37 -0.915 17.068 -9.004 1.00 0.00 C ATOM 517 ND1 HIS A 37 -0.828 16.799 -10.354 1.00 0.00 N ATOM 518 CD2 HIS A 37 0.241 16.623 -8.458 1.00 0.00 C ATOM 519 CE1 HIS A 37 0.329 16.215 -10.610 1.00 0.00 C ATOM 520 NE2 HIS A 37 0.997 16.098 -9.477 1.00 0.00 N ATOM 0 H HIS A 37 -1.092 16.802 -6.307 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.929 19.257 -7.430 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.816 16.962 -8.071 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.602 18.346 -9.125 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.517 16.672 -7.415 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.671 15.889 -11.581 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.924 15.685 -9.375 1.00 0.00 H new ATOM 528 N GLY A 38 -3.942 18.829 -6.143 1.00 0.00 N ATOM 529 CA GLY A 38 -5.131 19.550 -5.728 1.00 0.00 C ATOM 530 C GLY A 38 -5.720 19.005 -4.442 1.00 0.00 C ATOM 531 O GLY A 38 -5.000 18.764 -3.473 1.00 0.00 O ATOM 0 H GLY A 38 -3.939 17.836 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.885 20.603 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.880 19.496 -6.518 1.00 0.00 H new ATOM 535 N LEU A 39 -7.034 18.811 -4.432 1.00 0.00 N ATOM 536 CA LEU A 39 -7.722 18.291 -3.255 1.00 0.00 C ATOM 537 C LEU A 39 -7.720 16.766 -3.251 1.00 0.00 C ATOM 538 O LEU A 39 -8.140 16.133 -4.220 1.00 0.00 O ATOM 539 CB LEU A 39 -9.160 18.811 -3.209 1.00 0.00 C ATOM 540 CG LEU A 39 -10.095 18.112 -2.222 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.680 18.411 -0.790 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.537 18.536 -2.461 1.00 0.00 C ATOM 0 H LEU A 39 -7.645 19.006 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.188 18.638 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.134 19.873 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.588 18.725 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.022 17.036 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.357 17.905 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.663 18.057 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.722 19.486 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.188 18.028 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.626 19.614 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.831 18.269 -3.476 1.00 0.00 H new ATOM 554 N ILE A 40 -7.246 16.183 -2.156 1.00 0.00 N ATOM 555 CA ILE A 40 -7.193 14.732 -2.025 1.00 0.00 C ATOM 556 C ILE A 40 -8.585 14.148 -1.811 1.00 0.00 C ATOM 557 O ILE A 40 -9.191 14.333 -0.755 1.00 0.00 O ATOM 558 CB ILE A 40 -6.283 14.304 -0.858 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.858 14.816 -1.080 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.291 12.790 -0.708 1.00 0.00 C ATOM 561 CD1 ILE A 40 -4.068 14.976 0.200 1.00 0.00 C ATOM 0 H ILE A 40 -6.893 16.693 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.779 14.346 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.667 14.742 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.331 14.126 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.901 15.777 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.643 12.503 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.307 12.449 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.928 12.331 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.068 15.342 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.573 15.689 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.993 14.013 0.704 1.00 0.00 H new ATOM 573 N ARG A 41 -9.086 13.440 -2.818 1.00 0.00 N ATOM 574 CA ARG A 41 -10.407 12.828 -2.739 1.00 0.00 C ATOM 575 C ARG A 41 -10.389 11.615 -1.814 1.00 0.00 C ATOM 576 O ARG A 41 -11.223 11.495 -0.917 1.00 0.00 O ATOM 577 CB ARG A 41 -10.884 12.414 -4.132 1.00 0.00 C ATOM 578 CG ARG A 41 -10.947 13.566 -5.122 1.00 0.00 C ATOM 579 CD ARG A 41 -11.819 13.223 -6.320 1.00 0.00 C ATOM 580 NE ARG A 41 -13.234 13.467 -6.056 1.00 0.00 N ATOM 581 CZ ARG A 41 -13.777 14.679 -6.018 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.026 15.752 -6.227 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.073 14.819 -5.771 1.00 0.00 N ATOM 0 H ARG A 41 -8.597 13.276 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.098 13.565 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.215 11.647 -4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.873 11.963 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.341 14.453 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.941 13.811 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.503 13.815 -7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.675 12.175 -6.585 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.839 12.663 -5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.029 15.648 -6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.445 16.681 -6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.653 13.996 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.489 15.750 -5.742 1.00 0.00 H new ATOM 597 N GLU A 42 -9.434 10.718 -2.040 1.00 0.00 N ATOM 598 CA GLU A 42 -9.310 9.514 -1.228 1.00 0.00 C ATOM 599 C GLU A 42 -7.943 8.864 -1.423 1.00 0.00 C ATOM 600 O GLU A 42 -7.137 9.320 -2.235 1.00 0.00 O ATOM 601 CB GLU A 42 -10.416 8.517 -1.581 1.00 0.00 C ATOM 602 CG GLU A 42 -10.582 8.298 -3.075 1.00 0.00 C ATOM 603 CD GLU A 42 -11.368 9.409 -3.744 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.203 10.038 -3.061 1.00 0.00 O ATOM 605 OE2 GLU A 42 -11.149 9.648 -4.950 1.00 0.00 O ATOM 0 H GLU A 42 -8.735 10.803 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.410 9.801 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.198 7.561 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.360 8.872 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.598 8.224 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.087 7.347 -3.245 1.00 0.00 H new ATOM 612 N TYR A 43 -7.689 7.798 -0.672 1.00 0.00 N ATOM 613 CA TYR A 43 -6.419 7.087 -0.760 1.00 0.00 C ATOM 614 C TYR A 43 -6.640 5.615 -1.094 1.00 0.00 C ATOM 615 O TYR A 43 -7.327 4.899 -0.365 1.00 0.00 O ATOM 616 CB TYR A 43 -5.648 7.213 0.556 1.00 0.00 C ATOM 617 CG TYR A 43 -5.413 8.643 0.985 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.286 9.339 0.564 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.317 9.299 1.812 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.067 10.646 0.955 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.107 10.606 2.207 1.00 0.00 C ATOM 622 CZ TYR A 43 -4.980 11.275 1.776 1.00 0.00 C ATOM 623 OH TYR A 43 -4.765 12.577 2.167 1.00 0.00 O ATOM 0 H TYR A 43 -8.345 7.407 0.004 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.834 7.538 -1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.197 6.693 1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.686 6.710 0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.570 8.850 -0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.200 8.778 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.186 11.172 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.821 11.101 2.849 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.502 12.872 2.742 1.00 0.00 H new ATOM 633 N ILE A 44 -6.053 5.172 -2.201 1.00 0.00 N ATOM 634 CA ILE A 44 -6.184 3.786 -2.631 1.00 0.00 C ATOM 635 C ILE A 44 -5.126 2.904 -1.977 1.00 0.00 C ATOM 636 O ILE A 44 -4.078 3.387 -1.549 1.00 0.00 O ATOM 637 CB ILE A 44 -6.068 3.658 -4.162 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.797 2.404 -4.648 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.605 3.623 -4.580 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.299 2.510 -6.071 1.00 0.00 C ATOM 0 H ILE A 44 -5.483 5.753 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.174 3.452 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.537 4.528 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.124 1.550 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.641 2.205 -3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.538 3.532 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.114 4.542 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.114 2.769 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.805 1.585 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.997 3.343 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.457 2.678 -6.742 1.00 0.00 H new ATOM 652 N VAL A 45 -5.407 1.607 -1.903 1.00 0.00 N ATOM 653 CA VAL A 45 -4.479 0.656 -1.303 1.00 0.00 C ATOM 654 C VAL A 45 -4.386 -0.619 -2.133 1.00 0.00 C ATOM 655 O VAL A 45 -5.347 -1.383 -2.224 1.00 0.00 O ATOM 656 CB VAL A 45 -4.898 0.292 0.133 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.684 1.473 1.068 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.348 -0.167 0.165 1.00 0.00 C ATOM 0 H VAL A 45 -6.271 1.191 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.503 1.140 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.272 -0.531 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.986 1.197 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.630 1.751 1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.283 2.319 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.627 -0.420 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.991 0.634 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.466 -1.044 -0.471 1.00 0.00 H new ATOM 668 N GLU A 46 -3.223 -0.844 -2.736 1.00 0.00 N ATOM 669 CA GLU A 46 -3.005 -2.028 -3.558 1.00 0.00 C ATOM 670 C GLU A 46 -2.206 -3.081 -2.796 1.00 0.00 C ATOM 671 O GLU A 46 -1.384 -2.752 -1.940 1.00 0.00 O ATOM 672 CB GLU A 46 -2.274 -1.652 -4.849 1.00 0.00 C ATOM 673 CG GLU A 46 -3.206 -1.327 -6.004 1.00 0.00 C ATOM 674 CD GLU A 46 -3.540 -2.545 -6.845 1.00 0.00 C ATOM 675 OE1 GLU A 46 -3.843 -3.604 -6.258 1.00 0.00 O ATOM 676 OE2 GLU A 46 -3.497 -2.438 -8.088 1.00 0.00 O ATOM 0 H GLU A 46 -2.417 -0.222 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.979 -2.448 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.634 -0.791 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.622 -2.475 -5.140 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.128 -0.897 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.744 -0.569 -6.636 1.00 0.00 H new ATOM 683 N TYR A 47 -2.454 -4.347 -3.113 1.00 0.00 N ATOM 684 CA TYR A 47 -1.760 -5.448 -2.457 1.00 0.00 C ATOM 685 C TYR A 47 -1.702 -6.673 -3.364 1.00 0.00 C ATOM 686 O TYR A 47 -2.620 -6.926 -4.144 1.00 0.00 O ATOM 687 CB TYR A 47 -2.456 -5.806 -1.142 1.00 0.00 C ATOM 688 CG TYR A 47 -3.898 -6.226 -1.316 1.00 0.00 C ATOM 689 CD1 TYR A 47 -4.917 -5.282 -1.360 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.242 -7.567 -1.436 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.236 -5.662 -1.518 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.558 -7.956 -1.595 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.551 -7.000 -1.635 1.00 0.00 C ATOM 694 OH TYR A 47 -7.864 -7.381 -1.793 1.00 0.00 O ATOM 0 H TYR A 47 -3.130 -4.636 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.740 -5.126 -2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.907 -6.614 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.415 -4.947 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.674 -4.234 -1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.467 -8.318 -1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.016 -4.916 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.808 -9.003 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.915 -8.357 -1.861 1.00 0.00 H new ATOM 704 N SER A 48 -0.615 -7.431 -3.256 1.00 0.00 N ATOM 705 CA SER A 48 -0.434 -8.628 -4.068 1.00 0.00 C ATOM 706 C SER A 48 0.589 -9.566 -3.434 1.00 0.00 C ATOM 707 O SER A 48 1.703 -9.156 -3.105 1.00 0.00 O ATOM 708 CB SER A 48 0.013 -8.249 -5.481 1.00 0.00 C ATOM 709 OG SER A 48 0.265 -9.403 -6.264 1.00 0.00 O ATOM 0 H SER A 48 0.153 -7.237 -2.614 1.00 0.00 H new ATOM 0 HA SER A 48 -1.391 -9.146 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.757 -7.643 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.914 -7.637 -5.429 1.00 0.00 H new ATOM 0 HG SER A 48 -0.047 -10.199 -5.784 1.00 0.00 H new ATOM 715 N ARG A 49 0.202 -10.826 -3.264 1.00 0.00 N ATOM 716 CA ARG A 49 1.084 -11.822 -2.668 1.00 0.00 C ATOM 717 C ARG A 49 2.437 -11.842 -3.373 1.00 0.00 C ATOM 718 O ARG A 49 2.519 -11.642 -4.585 1.00 0.00 O ATOM 719 CB ARG A 49 0.441 -13.209 -2.735 1.00 0.00 C ATOM 720 CG ARG A 49 1.430 -14.348 -2.554 1.00 0.00 C ATOM 721 CD ARG A 49 0.721 -15.687 -2.429 1.00 0.00 C ATOM 722 NE ARG A 49 1.540 -16.789 -2.925 1.00 0.00 N ATOM 723 CZ ARG A 49 1.299 -18.067 -2.652 1.00 0.00 C ATOM 724 NH1 ARG A 49 0.266 -18.401 -1.890 1.00 0.00 N ATOM 725 NH2 ARG A 49 2.090 -19.013 -3.140 1.00 0.00 N ATOM 0 H ARG A 49 -0.716 -11.181 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 49 1.242 -11.552 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.328 -13.281 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.059 -13.322 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.114 -14.375 -3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.033 -14.170 -1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.467 -15.866 -1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.216 -15.654 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 49 2.342 -16.565 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.345 -17.676 -1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.082 -19.382 -1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.885 -18.760 -3.726 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.903 -19.993 -2.929 1.00 0.00 H new ATOM 739 N SER A 50 3.495 -12.085 -2.606 1.00 0.00 N ATOM 740 CA SER A 50 4.844 -12.128 -3.156 1.00 0.00 C ATOM 741 C SER A 50 4.837 -12.703 -4.569 1.00 0.00 C ATOM 742 O SER A 50 5.234 -12.038 -5.524 1.00 0.00 O ATOM 743 CB SER A 50 5.758 -12.963 -2.257 1.00 0.00 C ATOM 744 OG SER A 50 7.024 -13.162 -2.861 1.00 0.00 O ATOM 0 H SER A 50 3.444 -12.255 -1.602 1.00 0.00 H new ATOM 0 HA SER A 50 5.224 -11.107 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.884 -12.463 -1.297 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.292 -13.928 -2.055 1.00 0.00 H new ATOM 0 HG SER A 50 7.590 -13.697 -2.266 1.00 0.00 H new ATOM 750 N GLY A 51 4.383 -13.947 -4.692 1.00 0.00 N ATOM 751 CA GLY A 51 4.332 -14.592 -5.991 1.00 0.00 C ATOM 752 C GLY A 51 2.939 -14.586 -6.588 1.00 0.00 C ATOM 753 O GLY A 51 2.136 -15.479 -6.317 1.00 0.00 O ATOM 0 H GLY A 51 4.050 -14.519 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.017 -14.086 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.679 -15.621 -5.896 1.00 0.00 H new ATOM 757 N SER A 52 2.650 -13.576 -7.401 1.00 0.00 N ATOM 758 CA SER A 52 1.341 -13.454 -8.034 1.00 0.00 C ATOM 759 C SER A 52 1.324 -12.296 -9.027 1.00 0.00 C ATOM 760 O SER A 52 1.975 -11.272 -8.817 1.00 0.00 O ATOM 761 CB SER A 52 0.257 -13.248 -6.974 1.00 0.00 C ATOM 762 OG SER A 52 0.311 -11.938 -6.437 1.00 0.00 O ATOM 0 H SER A 52 3.304 -12.830 -7.637 1.00 0.00 H new ATOM 0 HA SER A 52 1.139 -14.378 -8.576 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.725 -13.424 -7.414 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.383 -13.978 -6.174 1.00 0.00 H new ATOM 0 HG SER A 52 1.056 -11.875 -5.803 1.00 0.00 H new ATOM 768 N LYS A 53 0.574 -12.466 -10.111 1.00 0.00 N ATOM 769 CA LYS A 53 0.469 -11.437 -11.138 1.00 0.00 C ATOM 770 C LYS A 53 -0.901 -10.768 -11.100 1.00 0.00 C ATOM 771 O LYS A 53 -1.480 -10.458 -12.141 1.00 0.00 O ATOM 772 CB LYS A 53 0.715 -12.042 -12.522 1.00 0.00 C ATOM 773 CG LYS A 53 2.179 -12.061 -12.926 1.00 0.00 C ATOM 774 CD LYS A 53 2.408 -12.932 -14.150 1.00 0.00 C ATOM 775 CE LYS A 53 2.420 -14.409 -13.789 1.00 0.00 C ATOM 776 NZ LYS A 53 3.634 -14.780 -13.009 1.00 0.00 N ATOM 0 H LYS A 53 0.030 -13.308 -10.301 1.00 0.00 H new ATOM 0 HA LYS A 53 1.228 -10.681 -10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.329 -13.061 -12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.150 -11.476 -13.262 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.513 -11.045 -13.134 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.782 -12.431 -12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.625 -12.742 -14.884 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.355 -12.663 -14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.529 -14.648 -13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.377 -15.006 -14.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.757 -15.813 -13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.469 -14.324 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.524 -14.463 -12.025 1.00 0.00 H new ATOM 790 N MET A 54 -1.414 -10.547 -9.894 1.00 0.00 N ATOM 791 CA MET A 54 -2.715 -9.912 -9.722 1.00 0.00 C ATOM 792 C MET A 54 -2.721 -9.011 -8.491 1.00 0.00 C ATOM 793 O MET A 54 -2.553 -9.480 -7.366 1.00 0.00 O ATOM 794 CB MET A 54 -3.811 -10.973 -9.597 1.00 0.00 C ATOM 795 CG MET A 54 -4.423 -11.375 -10.929 1.00 0.00 C ATOM 796 SD MET A 54 -5.592 -12.738 -10.773 1.00 0.00 S ATOM 797 CE MET A 54 -7.108 -11.846 -10.434 1.00 0.00 C ATOM 0 H MET A 54 -0.949 -10.798 -9.022 1.00 0.00 H new ATOM 0 HA MET A 54 -2.912 -9.298 -10.601 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.395 -11.858 -9.116 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.598 -10.595 -8.944 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.930 -10.515 -11.366 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.628 -11.660 -11.618 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.927 -12.554 -10.312 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.991 -11.265 -9.519 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.329 -11.175 -11.264 1.00 0.00 H new ATOM 807 N TRP A 55 -2.916 -7.716 -8.714 1.00 0.00 N ATOM 808 CA TRP A 55 -2.944 -6.749 -7.622 1.00 0.00 C ATOM 809 C TRP A 55 -4.350 -6.194 -7.422 1.00 0.00 C ATOM 810 O TRP A 55 -4.997 -5.759 -8.374 1.00 0.00 O ATOM 811 CB TRP A 55 -1.966 -5.606 -7.901 1.00 0.00 C ATOM 812 CG TRP A 55 -0.533 -6.043 -7.923 1.00 0.00 C ATOM 813 CD1 TRP A 55 0.046 -6.914 -8.801 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.502 -5.629 -7.024 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.378 -7.068 -8.502 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.683 -6.289 -7.417 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.547 -4.765 -5.927 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.892 -6.111 -6.749 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.748 -4.589 -5.266 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.907 -5.259 -5.679 1.00 0.00 C ATOM 0 H TRP A 55 -3.057 -7.312 -9.640 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.643 -7.261 -6.708 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.214 -5.151 -8.860 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.092 -4.836 -7.140 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.468 -7.409 -9.612 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.033 -7.665 -9.006 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.341 -4.244 -5.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.786 -6.628 -7.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.794 -3.924 -4.417 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.830 -5.100 -5.142 1.00 0.00 H new ATOM 831 N ALA A 56 -4.817 -6.213 -6.178 1.00 0.00 N ATOM 832 CA ALA A 56 -6.146 -5.709 -5.853 1.00 0.00 C ATOM 833 C ALA A 56 -6.067 -4.336 -5.195 1.00 0.00 C ATOM 834 O ALA A 56 -5.343 -4.147 -4.217 1.00 0.00 O ATOM 835 CB ALA A 56 -6.875 -6.690 -4.947 1.00 0.00 C ATOM 0 H ALA A 56 -4.295 -6.572 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.706 -5.605 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.866 -6.301 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.973 -7.650 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.309 -6.823 -4.025 1.00 0.00 H new ATOM 841 N SER A 57 -6.815 -3.381 -5.737 1.00 0.00 N ATOM 842 CA SER A 57 -6.826 -2.023 -5.204 1.00 0.00 C ATOM 843 C SER A 57 -8.195 -1.677 -4.627 1.00 0.00 C ATOM 844 O SER A 57 -9.222 -2.155 -5.109 1.00 0.00 O ATOM 845 CB SER A 57 -6.453 -1.021 -6.298 1.00 0.00 C ATOM 846 OG SER A 57 -7.573 -0.708 -7.107 1.00 0.00 O ATOM 0 H SER A 57 -7.422 -3.522 -6.545 1.00 0.00 H new ATOM 0 HA SER A 57 -6.089 -1.967 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.063 -0.110 -5.844 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.657 -1.434 -6.918 1.00 0.00 H new ATOM 0 HG SER A 57 -7.308 -0.065 -7.797 1.00 0.00 H new ATOM 852 N GLN A 58 -8.200 -0.844 -3.591 1.00 0.00 N ATOM 853 CA GLN A 58 -9.443 -0.434 -2.947 1.00 0.00 C ATOM 854 C GLN A 58 -9.310 0.962 -2.347 1.00 0.00 C ATOM 855 O GLN A 58 -8.220 1.377 -1.951 1.00 0.00 O ATOM 856 CB GLN A 58 -9.832 -1.436 -1.859 1.00 0.00 C ATOM 857 CG GLN A 58 -8.912 -1.409 -0.650 1.00 0.00 C ATOM 858 CD GLN A 58 -9.422 -2.266 0.492 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.609 -2.243 0.818 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.526 -3.030 1.105 1.00 0.00 N ATOM 0 H GLN A 58 -7.358 -0.440 -3.180 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.226 -0.410 -3.705 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.852 -1.229 -1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.831 -2.440 -2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.921 -1.755 -0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.801 -0.381 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.552 -3.018 0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.811 -3.629 1.879 1.00 0.00 H new ATOM 869 N ARG A 59 -10.425 1.681 -2.282 1.00 0.00 N ATOM 870 CA ARG A 59 -10.433 3.031 -1.731 1.00 0.00 C ATOM 871 C ARG A 59 -10.511 2.996 -0.207 1.00 0.00 C ATOM 872 O ARG A 59 -11.142 2.112 0.371 1.00 0.00 O ATOM 873 CB ARG A 59 -11.611 3.828 -2.294 1.00 0.00 C ATOM 874 CG ARG A 59 -11.297 4.536 -3.602 1.00 0.00 C ATOM 875 CD ARG A 59 -10.850 3.554 -4.674 1.00 0.00 C ATOM 876 NE ARG A 59 -11.062 4.078 -6.020 1.00 0.00 N ATOM 877 CZ ARG A 59 -12.253 4.139 -6.605 1.00 0.00 C ATOM 878 NH1 ARG A 59 -13.333 3.711 -5.965 1.00 0.00 N ATOM 879 NH2 ARG A 59 -12.366 4.629 -7.833 1.00 0.00 N ATOM 0 H ARG A 59 -11.335 1.352 -2.604 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.502 3.519 -2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.454 3.154 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.924 4.567 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.180 5.075 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.515 5.277 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.793 3.324 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.397 2.618 -4.559 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.252 4.416 -6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.250 3.334 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.246 3.759 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.538 4.959 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.281 4.675 -8.281 1.00 0.00 H new ATOM 893 N ALA A 60 -9.865 3.963 0.436 1.00 0.00 N ATOM 894 CA ALA A 60 -9.863 4.043 1.891 1.00 0.00 C ATOM 895 C ALA A 60 -10.161 5.462 2.363 1.00 0.00 C ATOM 896 O ALA A 60 -9.472 6.409 1.987 1.00 0.00 O ATOM 897 CB ALA A 60 -8.526 3.571 2.444 1.00 0.00 C ATOM 0 H ALA A 60 -9.336 4.702 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.650 3.390 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.539 3.636 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.353 2.537 2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.727 4.201 2.052 1.00 0.00 H new ATOM 903 N ALA A 61 -11.193 5.601 3.189 1.00 0.00 N ATOM 904 CA ALA A 61 -11.582 6.904 3.713 1.00 0.00 C ATOM 905 C ALA A 61 -10.504 7.471 4.630 1.00 0.00 C ATOM 906 O ALA A 61 -10.074 8.613 4.467 1.00 0.00 O ATOM 907 CB ALA A 61 -12.907 6.801 4.454 1.00 0.00 C ATOM 0 H ALA A 61 -11.775 4.827 3.510 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.701 7.586 2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.185 7.782 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.679 6.447 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.807 6.100 5.283 1.00 0.00 H new ATOM 913 N SER A 62 -10.071 6.666 5.596 1.00 0.00 N ATOM 914 CA SER A 62 -9.046 7.089 6.542 1.00 0.00 C ATOM 915 C SER A 62 -7.650 6.810 5.992 1.00 0.00 C ATOM 916 O SER A 62 -7.497 6.372 4.853 1.00 0.00 O ATOM 917 CB SER A 62 -9.232 6.374 7.881 1.00 0.00 C ATOM 918 OG SER A 62 -10.439 6.771 8.509 1.00 0.00 O ATOM 0 H SER A 62 -10.415 5.717 5.743 1.00 0.00 H new ATOM 0 HA SER A 62 -9.149 8.163 6.695 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.239 5.296 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.389 6.595 8.535 1.00 0.00 H new ATOM 0 HG SER A 62 -10.535 6.298 9.362 1.00 0.00 H new ATOM 924 N ASN A 63 -6.636 7.067 6.812 1.00 0.00 N ATOM 925 CA ASN A 63 -5.252 6.844 6.409 1.00 0.00 C ATOM 926 C ASN A 63 -4.829 5.405 6.690 1.00 0.00 C ATOM 927 O ASN A 63 -3.695 5.149 7.095 1.00 0.00 O ATOM 928 CB ASN A 63 -4.323 7.814 7.142 1.00 0.00 C ATOM 929 CG ASN A 63 -4.365 9.211 6.554 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.423 9.838 6.490 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.212 9.706 6.121 1.00 0.00 N ATOM 0 H ASN A 63 -6.747 7.430 7.759 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.178 7.022 5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.604 7.857 8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.302 7.436 7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.179 10.641 5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.359 9.151 6.194 1.00 0.00 H new ATOM 938 N PHE A 64 -5.748 4.471 6.471 1.00 0.00 N ATOM 939 CA PHE A 64 -5.470 3.058 6.701 1.00 0.00 C ATOM 940 C PHE A 64 -6.557 2.182 6.083 1.00 0.00 C ATOM 941 O PHE A 64 -7.607 2.675 5.670 1.00 0.00 O ATOM 942 CB PHE A 64 -5.363 2.775 8.201 1.00 0.00 C ATOM 943 CG PHE A 64 -6.691 2.533 8.862 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.676 3.507 8.842 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.952 1.333 9.503 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.899 3.288 9.448 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.173 1.108 10.111 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.147 2.087 10.085 1.00 0.00 C ATOM 0 H PHE A 64 -6.691 4.667 6.135 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.520 2.818 6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.726 1.904 8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.872 3.618 8.688 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.486 4.448 8.347 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.193 0.565 9.528 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.660 4.054 9.424 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.365 0.167 10.606 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.101 1.914 10.562 1.00 0.00 H new ATOM 958 N THR A 65 -6.296 0.880 6.023 1.00 0.00 N ATOM 959 CA THR A 65 -7.249 -0.064 5.454 1.00 0.00 C ATOM 960 C THR A 65 -7.054 -1.460 6.035 1.00 0.00 C ATOM 961 O THR A 65 -6.099 -1.707 6.771 1.00 0.00 O ATOM 962 CB THR A 65 -7.122 -0.137 3.921 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.279 -0.769 3.362 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.873 -0.906 3.517 1.00 0.00 C ATOM 0 H THR A 65 -5.433 0.456 6.362 1.00 0.00 H new ATOM 0 HA THR A 65 -8.244 0.299 5.712 1.00 0.00 H new ATOM 0 HB THR A 65 -7.043 0.880 3.537 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.445 -0.412 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.805 -0.944 2.430 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.992 -0.405 3.918 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.926 -1.920 3.913 1.00 0.00 H new ATOM 972 N GLU A 66 -7.963 -2.369 5.699 1.00 0.00 N ATOM 973 CA GLU A 66 -7.889 -3.741 6.188 1.00 0.00 C ATOM 974 C GLU A 66 -8.043 -4.737 5.043 1.00 0.00 C ATOM 975 O GLU A 66 -9.155 -5.015 4.593 1.00 0.00 O ATOM 976 CB GLU A 66 -8.970 -3.988 7.243 1.00 0.00 C ATOM 977 CG GLU A 66 -8.519 -3.684 8.661 1.00 0.00 C ATOM 978 CD GLU A 66 -9.658 -3.227 9.551 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.755 -3.816 9.461 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.452 -2.279 10.338 1.00 0.00 O ATOM 0 H GLU A 66 -8.759 -2.181 5.090 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.908 -3.885 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.841 -3.375 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.288 -5.029 7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.062 -4.575 9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.750 -2.912 8.636 1.00 0.00 H new ATOM 987 N ILE A 67 -6.919 -5.270 4.575 1.00 0.00 N ATOM 988 CA ILE A 67 -6.929 -6.234 3.482 1.00 0.00 C ATOM 989 C ILE A 67 -7.214 -7.642 3.995 1.00 0.00 C ATOM 990 O ILE A 67 -6.322 -8.322 4.503 1.00 0.00 O ATOM 991 CB ILE A 67 -5.589 -6.238 2.723 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.245 -4.825 2.246 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.650 -7.200 1.546 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.768 -4.617 1.992 1.00 0.00 C ATOM 0 H ILE A 67 -5.991 -5.050 4.936 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.723 -5.930 2.800 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.804 -6.574 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.796 -4.615 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.582 -4.106 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.696 -7.192 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.855 -8.207 1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.443 -6.892 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.597 -3.594 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.212 -4.795 2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.430 -5.312 1.224 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.462 -8.075 3.857 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.866 -9.403 4.302 1.00 0.00 C ATOM 1008 C LYS A 68 -8.821 -10.401 3.149 1.00 0.00 C ATOM 1009 O LYS A 68 -8.444 -10.054 2.031 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.275 -9.358 4.897 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.541 -8.121 5.737 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.596 -8.384 6.799 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.372 -7.522 8.032 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.529 -7.583 8.969 1.00 0.00 N ATOM 0 H LYS A 68 -9.212 -7.524 3.440 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.165 -9.730 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.004 -9.401 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.429 -10.245 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.616 -7.798 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.868 -7.306 5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.585 -8.183 6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.576 -9.437 7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.470 -7.852 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.205 -6.489 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.338 -6.983 9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.385 -7.244 8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.673 -8.565 9.280 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.211 -11.640 3.429 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.216 -12.688 2.415 1.00 0.00 C ATOM 1030 C ASN A 69 -7.803 -12.958 1.905 1.00 0.00 C ATOM 1031 O ASN A 69 -7.563 -12.992 0.697 1.00 0.00 O ATOM 1032 CB ASN A 69 -10.124 -12.292 1.248 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.424 -11.667 1.714 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -12.363 -12.368 2.092 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.485 -10.340 1.689 1.00 0.00 N ATOM 0 H ASN A 69 -9.528 -11.943 4.350 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.599 -13.600 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.597 -11.589 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.343 -13.174 0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.334 -9.863 1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.682 -9.799 1.368 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.873 -13.151 2.833 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.483 -13.420 2.479 1.00 0.00 C ATOM 1044 C LEU A 70 -5.027 -14.761 3.044 1.00 0.00 C ATOM 1045 O LEU A 70 -5.697 -15.349 3.894 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.578 -12.301 2.998 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.878 -10.897 2.471 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -3.936 -9.880 3.096 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.771 -10.863 0.953 1.00 0.00 C ATOM 0 H LEU A 70 -7.055 -13.126 3.836 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.412 -13.462 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.645 -12.281 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.547 -12.549 2.747 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.899 -10.636 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.164 -8.887 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.061 -9.885 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.906 -10.138 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.988 -9.856 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.762 -11.145 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.487 -11.563 0.522 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.882 -15.239 2.568 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.334 -16.511 3.027 1.00 0.00 C ATOM 1063 C LEU A 71 -2.408 -16.305 4.221 1.00 0.00 C ATOM 1064 O LEU A 71 -1.455 -15.529 4.154 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.576 -17.201 1.892 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.351 -17.398 0.589 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.411 -17.804 -0.536 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.447 -18.438 0.772 1.00 0.00 C ATOM 0 H LEU A 71 -3.315 -14.765 1.865 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.164 -17.145 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.680 -16.619 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.244 -18.177 2.245 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.818 -16.450 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.981 -17.940 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.663 -17.025 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.914 -18.739 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.988 -18.565 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.001 -19.388 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.138 -18.106 1.547 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.695 -17.007 5.313 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.886 -16.904 6.522 1.00 0.00 C ATOM 1082 C VAL A 72 -0.436 -17.286 6.247 1.00 0.00 C ATOM 1083 O VAL A 72 -0.141 -17.989 5.281 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.437 -17.803 7.645 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.780 -17.282 8.134 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.557 -19.241 7.165 1.00 0.00 C ATOM 0 H VAL A 72 -3.481 -17.653 5.385 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.931 -15.864 6.844 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.738 -17.780 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.154 -17.929 8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.659 -16.269 8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.490 -17.274 7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.948 -19.862 7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.234 -19.285 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.575 -19.608 6.867 1.00 0.00 H new ATOM 1096 N ASN A 73 0.466 -16.817 7.103 1.00 0.00 N ATOM 1097 CA ASN A 73 1.887 -17.109 6.952 1.00 0.00 C ATOM 1098 C ASN A 73 2.338 -16.892 5.511 1.00 0.00 C ATOM 1099 O ASN A 73 3.127 -17.668 4.971 1.00 0.00 O ATOM 1100 CB ASN A 73 2.181 -18.549 7.379 1.00 0.00 C ATOM 1101 CG ASN A 73 1.467 -19.567 6.511 1.00 0.00 C ATOM 1102 OD1 ASN A 73 1.679 -19.624 5.299 1.00 0.00 O ATOM 1103 ND2 ASN A 73 0.613 -20.375 7.128 1.00 0.00 N ATOM 0 H ASN A 73 0.238 -16.233 7.908 1.00 0.00 H new ATOM 0 HA ASN A 73 2.443 -16.426 7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.255 -18.726 7.333 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.879 -18.686 8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.101 -21.079 6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.469 -20.292 8.134 1.00 0.00 H new ATOM 1110 N THR A 74 1.830 -15.831 4.892 1.00 0.00 N ATOM 1111 CA THR A 74 2.179 -15.511 3.513 1.00 0.00 C ATOM 1112 C THR A 74 2.596 -14.051 3.376 1.00 0.00 C ATOM 1113 O THR A 74 1.996 -13.163 3.984 1.00 0.00 O ATOM 1114 CB THR A 74 1.004 -15.789 2.557 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.415 -17.059 2.861 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.468 -15.773 1.109 1.00 0.00 C ATOM 0 H THR A 74 1.175 -15.179 5.324 1.00 0.00 H new ATOM 0 HA THR A 74 3.018 -16.153 3.242 1.00 0.00 H new ATOM 0 HB THR A 74 0.261 -15.003 2.692 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.044 -17.039 3.768 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.620 -15.972 0.453 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.888 -14.796 0.872 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.228 -16.540 0.962 1.00 0.00 H new ATOM 1124 N LEU A 75 3.627 -13.808 2.574 1.00 0.00 N ATOM 1125 CA LEU A 75 4.124 -12.454 2.356 1.00 0.00 C ATOM 1126 C LEU A 75 3.226 -11.693 1.386 1.00 0.00 C ATOM 1127 O LEU A 75 2.769 -12.245 0.385 1.00 0.00 O ATOM 1128 CB LEU A 75 5.555 -12.496 1.818 1.00 0.00 C ATOM 1129 CG LEU A 75 6.278 -11.151 1.728 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.768 -10.350 0.539 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.103 -10.364 3.018 1.00 0.00 C ATOM 0 H LEU A 75 4.135 -14.531 2.064 1.00 0.00 H new ATOM 0 HA LEU A 75 4.117 -11.933 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.142 -13.159 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.535 -12.942 0.824 1.00 0.00 H new ATOM 0 HG LEU A 75 7.342 -11.341 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.293 -9.396 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.946 -10.909 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.699 -10.170 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.624 -9.410 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.042 -10.184 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.517 -10.933 3.850 1.00 0.00 H new ATOM 1143 N TYR A 76 2.978 -10.424 1.689 1.00 0.00 N ATOM 1144 CA TYR A 76 2.134 -9.587 0.844 1.00 0.00 C ATOM 1145 C TYR A 76 2.711 -8.180 0.721 1.00 0.00 C ATOM 1146 O TYR A 76 3.042 -7.542 1.721 1.00 0.00 O ATOM 1147 CB TYR A 76 0.715 -9.521 1.411 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.201 -10.599 0.877 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.940 -10.398 -0.283 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -0.329 -11.817 1.532 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.779 -11.379 -0.774 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.164 -12.805 1.047 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.887 -12.581 -0.106 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.722 -13.562 -0.591 1.00 0.00 O ATOM 0 H TYR A 76 3.349 -9.952 2.513 1.00 0.00 H new ATOM 0 HA TYR A 76 2.101 -10.034 -0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.763 -9.601 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.286 -8.545 1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.857 -9.459 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.234 -11.995 2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.347 -11.206 -1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.250 -13.747 1.568 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.681 -14.346 -0.004 1.00 0.00 H new ATOM 1164 N THR A 77 2.828 -7.701 -0.514 1.00 0.00 N ATOM 1165 CA THR A 77 3.365 -6.371 -0.770 1.00 0.00 C ATOM 1166 C THR A 77 2.250 -5.335 -0.855 1.00 0.00 C ATOM 1167 O THR A 77 1.439 -5.356 -1.782 1.00 0.00 O ATOM 1168 CB THR A 77 4.183 -6.337 -2.075 1.00 0.00 C ATOM 1169 OG1 THR A 77 5.359 -7.142 -1.937 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.577 -4.911 -2.429 1.00 0.00 C ATOM 0 H THR A 77 2.558 -8.215 -1.352 1.00 0.00 H new ATOM 0 HA THR A 77 4.020 -6.128 0.067 1.00 0.00 H new ATOM 0 HB THR A 77 3.563 -6.736 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.863 -6.853 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.154 -4.912 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.679 -4.308 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.181 -4.490 -1.625 1.00 0.00 H new ATOM 1178 N VAL A 78 2.215 -4.429 0.116 1.00 0.00 N ATOM 1179 CA VAL A 78 1.199 -3.383 0.150 1.00 0.00 C ATOM 1180 C VAL A 78 1.767 -2.051 -0.326 1.00 0.00 C ATOM 1181 O VAL A 78 2.966 -1.798 -0.208 1.00 0.00 O ATOM 1182 CB VAL A 78 0.622 -3.206 1.567 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -0.402 -2.081 1.590 1.00 0.00 C ATOM 1184 CG2 VAL A 78 0.008 -4.508 2.058 1.00 0.00 C ATOM 0 H VAL A 78 2.878 -4.398 0.890 1.00 0.00 H new ATOM 0 HA VAL A 78 0.400 -3.696 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 78 1.435 -2.938 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.799 -1.971 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.074 -1.150 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.216 -2.316 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.395 -4.365 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.794 -4.809 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.772 -5.285 2.082 1.00 0.00 H new ATOM 1194 N ARG A 79 0.897 -1.201 -0.863 1.00 0.00 N ATOM 1195 CA ARG A 79 1.312 0.106 -1.358 1.00 0.00 C ATOM 1196 C ARG A 79 0.125 1.062 -1.429 1.00 0.00 C ATOM 1197 O ARG A 79 -0.920 0.731 -1.990 1.00 0.00 O ATOM 1198 CB ARG A 79 1.955 -0.029 -2.740 1.00 0.00 C ATOM 1199 CG ARG A 79 0.990 -0.493 -3.818 1.00 0.00 C ATOM 1200 CD ARG A 79 1.702 -0.714 -5.144 1.00 0.00 C ATOM 1201 NE ARG A 79 0.774 -1.092 -6.207 1.00 0.00 N ATOM 1202 CZ ARG A 79 1.161 -1.504 -7.409 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.452 -1.591 -7.699 1.00 0.00 N ATOM 1204 NH2 ARG A 79 0.256 -1.831 -8.323 1.00 0.00 N ATOM 0 H ARG A 79 -0.099 -1.394 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 79 2.045 0.514 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.376 0.933 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.784 -0.734 -2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.509 -1.419 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.202 0.249 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.228 0.197 -5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.455 -1.493 -5.026 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.226 -1.036 -6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.150 -1.341 -6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.747 -1.908 -8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.738 -1.766 -8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.554 -2.147 -9.246 1.00 0.00 H new ATOM 1218 N VAL A 80 0.293 2.250 -0.856 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.764 3.254 -0.855 1.00 0.00 C ATOM 1220 C VAL A 80 -0.457 4.375 -1.841 1.00 0.00 C ATOM 1221 O VAL A 80 0.701 4.737 -2.045 1.00 0.00 O ATOM 1222 CB VAL A 80 -0.961 3.859 0.548 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.098 4.869 0.539 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.219 2.762 1.570 1.00 0.00 C ATOM 0 H VAL A 80 1.151 2.540 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.681 2.749 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.047 4.380 0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.222 5.286 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.867 5.671 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.021 4.375 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.356 3.208 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.118 2.211 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.369 2.081 1.595 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.504 4.922 -2.451 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.348 6.004 -3.415 1.00 0.00 C ATOM 1236 C ALA A 81 -2.398 7.088 -3.198 1.00 0.00 C ATOM 1237 O ALA A 81 -3.585 6.797 -3.060 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.431 5.462 -4.835 1.00 0.00 C ATOM 0 H ALA A 81 -2.470 4.633 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.365 6.452 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.313 6.281 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.639 4.729 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.400 4.987 -4.987 1.00 0.00 H new ATOM 1244 N ALA A 82 -1.952 8.340 -3.169 1.00 0.00 N ATOM 1245 CA ALA A 82 -2.854 9.468 -2.970 1.00 0.00 C ATOM 1246 C ALA A 82 -3.565 9.837 -4.267 1.00 0.00 C ATOM 1247 O ALA A 82 -2.925 10.072 -5.293 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.089 10.665 -2.426 1.00 0.00 C ATOM 0 H ALA A 82 -0.972 8.598 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.611 9.173 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.775 11.500 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.632 10.402 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.311 10.952 -3.134 1.00 0.00 H new ATOM 1254 N VAL A 83 -4.892 9.885 -4.216 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.691 10.227 -5.388 1.00 0.00 C ATOM 1256 C VAL A 83 -6.032 11.712 -5.406 1.00 0.00 C ATOM 1257 O VAL A 83 -6.204 12.335 -4.357 1.00 0.00 O ATOM 1258 CB VAL A 83 -6.996 9.410 -5.434 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.056 10.143 -6.243 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.738 8.026 -6.009 1.00 0.00 C ATOM 0 H VAL A 83 -5.437 9.691 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.089 9.986 -6.264 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.367 9.292 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.971 9.551 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.260 11.110 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.697 10.294 -7.261 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.671 7.463 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.344 8.120 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.014 7.502 -5.385 1.00 0.00 H new ATOM 1270 N THR A 84 -6.130 12.277 -6.606 1.00 0.00 N ATOM 1271 CA THR A 84 -6.450 13.690 -6.762 1.00 0.00 C ATOM 1272 C THR A 84 -7.576 13.890 -7.769 1.00 0.00 C ATOM 1273 O THR A 84 -8.023 12.941 -8.413 1.00 0.00 O ATOM 1274 CB THR A 84 -5.220 14.498 -7.216 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.596 13.854 -8.333 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.217 14.641 -6.082 1.00 0.00 C ATOM 0 H THR A 84 -5.992 11.777 -7.484 1.00 0.00 H new ATOM 0 HA THR A 84 -6.772 14.051 -5.785 1.00 0.00 H new ATOM 0 HB THR A 84 -5.555 15.493 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.816 14.375 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.357 15.215 -6.427 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.686 15.157 -5.244 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.888 13.653 -5.761 1.00 0.00 H new ATOM 1284 N SER A 85 -8.031 15.132 -7.902 1.00 0.00 N ATOM 1285 CA SER A 85 -9.108 15.457 -8.830 1.00 0.00 C ATOM 1286 C SER A 85 -8.839 14.855 -10.206 1.00 0.00 C ATOM 1287 O SER A 85 -9.768 14.507 -10.936 1.00 0.00 O ATOM 1288 CB SER A 85 -9.270 16.973 -8.947 1.00 0.00 C ATOM 1289 OG SER A 85 -8.150 17.558 -9.588 1.00 0.00 O ATOM 0 H SER A 85 -7.670 15.930 -7.379 1.00 0.00 H new ATOM 0 HA SER A 85 -10.032 15.030 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.175 17.203 -9.509 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.392 17.406 -7.954 1.00 0.00 H new ATOM 0 HG SER A 85 -8.279 18.527 -9.652 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.562 14.736 -10.554 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.169 14.178 -11.842 1.00 0.00 C ATOM 1297 C ARG A 86 -7.234 12.654 -11.817 1.00 0.00 C ATOM 1298 O ARG A 86 -7.893 12.036 -12.653 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.756 14.633 -12.210 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.422 14.455 -13.682 1.00 0.00 C ATOM 1301 CD ARG A 86 -4.208 15.278 -14.081 1.00 0.00 C ATOM 1302 NE ARG A 86 -4.555 16.672 -14.347 1.00 0.00 N ATOM 1303 CZ ARG A 86 -5.306 17.060 -15.371 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -5.787 16.163 -16.222 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -5.578 18.347 -15.546 1.00 0.00 N ATOM 0 H ARG A 86 -6.781 15.019 -9.961 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.868 14.542 -12.595 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.641 15.684 -11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.036 14.073 -11.613 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.233 13.402 -13.888 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.278 14.750 -14.289 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.464 15.235 -13.286 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.751 14.842 -14.969 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.201 17.387 -13.711 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.580 15.173 -16.090 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.364 16.463 -17.008 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.210 19.039 -14.894 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.155 18.644 -16.333 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.545 12.053 -10.852 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.537 10.606 -10.736 1.00 0.00 C ATOM 1321 C GLY A 87 -5.472 10.107 -9.780 1.00 0.00 C ATOM 1322 O GLY A 87 -4.836 10.897 -9.081 1.00 0.00 O ATOM 0 H GLY A 87 -5.992 12.542 -10.148 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.515 10.267 -10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.372 10.167 -11.720 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.277 8.793 -9.748 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.282 8.190 -8.870 1.00 0.00 C ATOM 1328 C ILE A 88 -2.875 8.649 -9.237 1.00 0.00 C ATOM 1329 O ILE A 88 -2.521 8.721 -10.413 1.00 0.00 O ATOM 1330 CB ILE A 88 -4.339 6.652 -8.927 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.732 6.156 -8.530 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -3.278 6.048 -8.019 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.977 4.704 -8.874 1.00 0.00 C ATOM 0 H ILE A 88 -5.795 8.126 -10.320 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.516 8.517 -7.857 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.138 6.334 -9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.866 6.294 -7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.483 6.770 -9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.331 4.961 -8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.291 6.379 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.451 6.372 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.983 4.421 -8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.876 4.563 -9.950 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.249 4.080 -8.356 1.00 0.00 H new ATOM 1345 N GLY A 89 -2.075 8.957 -8.221 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.714 9.403 -8.457 1.00 0.00 C ATOM 1347 C GLY A 89 0.310 8.328 -8.152 1.00 0.00 C ATOM 1348 O GLY A 89 -0.042 7.170 -7.936 1.00 0.00 O ATOM 0 H GLY A 89 -2.345 8.906 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.612 9.713 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.510 10.279 -7.842 1.00 0.00 H new ATOM 1352 N ASN A 90 1.582 8.713 -8.135 1.00 0.00 N ATOM 1353 CA ASN A 90 2.661 7.772 -7.857 1.00 0.00 C ATOM 1354 C ASN A 90 2.299 6.858 -6.690 1.00 0.00 C ATOM 1355 O ASN A 90 1.367 7.138 -5.936 1.00 0.00 O ATOM 1356 CB ASN A 90 3.955 8.527 -7.545 1.00 0.00 C ATOM 1357 CG ASN A 90 4.650 9.026 -8.797 1.00 0.00 C ATOM 1358 OD1 ASN A 90 5.310 8.261 -9.501 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.504 10.315 -9.080 1.00 0.00 N ATOM 0 H ASN A 90 1.891 9.669 -8.310 1.00 0.00 H new ATOM 0 HA ASN A 90 2.811 7.157 -8.744 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.731 9.373 -6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.630 7.872 -6.994 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.948 10.708 -9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.948 10.912 -8.468 1.00 0.00 H new ATOM 1366 N TRP A 91 3.041 5.766 -6.549 1.00 0.00 N ATOM 1367 CA TRP A 91 2.798 4.811 -5.474 1.00 0.00 C ATOM 1368 C TRP A 91 3.845 4.951 -4.374 1.00 0.00 C ATOM 1369 O TRP A 91 5.032 5.119 -4.652 1.00 0.00 O ATOM 1370 CB TRP A 91 2.804 3.383 -6.022 1.00 0.00 C ATOM 1371 CG TRP A 91 1.660 3.097 -6.947 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.693 3.088 -8.312 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.315 2.780 -6.574 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.448 2.785 -8.810 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.414 2.590 -7.764 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.344 2.636 -5.350 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.768 2.266 -7.763 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.688 2.314 -5.351 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.388 2.131 -6.551 1.00 0.00 C ATOM 0 H TRP A 91 3.816 5.520 -7.165 1.00 0.00 H new ATOM 0 HA TRP A 91 1.818 5.025 -5.046 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.741 3.208 -6.550 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.772 2.681 -5.188 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.568 3.289 -8.912 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.206 2.717 -9.798 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.188 2.774 -4.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.310 2.126 -8.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.208 2.202 -4.411 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.438 1.878 -6.518 1.00 0.00 H new ATOM 1390 N SER A 92 3.397 4.882 -3.125 1.00 0.00 N ATOM 1391 CA SER A 92 4.296 5.005 -1.983 1.00 0.00 C ATOM 1392 C SER A 92 5.251 3.817 -1.913 1.00 0.00 C ATOM 1393 O SER A 92 5.017 2.781 -2.535 1.00 0.00 O ATOM 1394 CB SER A 92 3.493 5.105 -0.684 1.00 0.00 C ATOM 1395 OG SER A 92 3.054 3.828 -0.256 1.00 0.00 O ATOM 0 H SER A 92 2.417 4.742 -2.878 1.00 0.00 H new ATOM 0 HA SER A 92 4.883 5.914 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.107 5.561 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.633 5.757 -0.834 1.00 0.00 H new ATOM 0 HG SER A 92 2.545 3.919 0.576 1.00 0.00 H new ATOM 1401 N ASP A 93 6.328 3.977 -1.151 1.00 0.00 N ATOM 1402 CA ASP A 93 7.319 2.918 -0.998 1.00 0.00 C ATOM 1403 C ASP A 93 6.650 1.593 -0.648 1.00 0.00 C ATOM 1404 O ASP A 93 6.357 1.322 0.516 1.00 0.00 O ATOM 1405 CB ASP A 93 8.333 3.293 0.084 1.00 0.00 C ATOM 1406 CG ASP A 93 9.469 4.141 -0.456 1.00 0.00 C ATOM 1407 OD1 ASP A 93 10.277 3.615 -1.250 1.00 0.00 O ATOM 1408 OD2 ASP A 93 9.549 5.330 -0.085 1.00 0.00 O ATOM 0 H ASP A 93 6.537 4.829 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 93 7.839 2.801 -1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.825 3.836 0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.741 2.384 0.527 1.00 0.00 H new ATOM 1413 N SER A 94 6.409 0.771 -1.665 1.00 0.00 N ATOM 1414 CA SER A 94 5.770 -0.524 -1.465 1.00 0.00 C ATOM 1415 C SER A 94 6.528 -1.351 -0.431 1.00 0.00 C ATOM 1416 O SER A 94 7.728 -1.587 -0.566 1.00 0.00 O ATOM 1417 CB SER A 94 5.693 -1.289 -2.789 1.00 0.00 C ATOM 1418 OG SER A 94 6.927 -1.229 -3.483 1.00 0.00 O ATOM 0 H SER A 94 6.647 0.979 -2.635 1.00 0.00 H new ATOM 0 HA SER A 94 4.760 -0.349 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.430 -2.329 -2.597 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.902 -0.869 -3.410 1.00 0.00 H new ATOM 0 HG SER A 94 7.665 -1.348 -2.849 1.00 0.00 H new ATOM 1424 N LYS A 95 5.817 -1.789 0.603 1.00 0.00 N ATOM 1425 CA LYS A 95 6.420 -2.590 1.662 1.00 0.00 C ATOM 1426 C LYS A 95 5.866 -4.011 1.651 1.00 0.00 C ATOM 1427 O LYS A 95 4.851 -4.287 1.011 1.00 0.00 O ATOM 1428 CB LYS A 95 6.167 -1.943 3.026 1.00 0.00 C ATOM 1429 CG LYS A 95 6.853 -0.599 3.198 1.00 0.00 C ATOM 1430 CD LYS A 95 8.297 -0.763 3.643 1.00 0.00 C ATOM 1431 CE LYS A 95 9.096 0.512 3.420 1.00 0.00 C ATOM 1432 NZ LYS A 95 10.539 0.228 3.185 1.00 0.00 N ATOM 0 H LYS A 95 4.822 -1.603 0.730 1.00 0.00 H new ATOM 0 HA LYS A 95 7.494 -2.636 1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.094 -1.814 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.510 -2.619 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.821 -0.050 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.310 -0.004 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.325 -1.032 4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.758 -1.584 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.688 1.051 2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.991 1.163 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.049 1.122 3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.935 -0.264 4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.642 -0.372 2.342 1.00 0.00 H new ATOM 1446 N SER A 96 6.538 -4.909 2.364 1.00 0.00 N ATOM 1447 CA SER A 96 6.114 -6.303 2.433 1.00 0.00 C ATOM 1448 C SER A 96 5.927 -6.742 3.883 1.00 0.00 C ATOM 1449 O SER A 96 6.735 -6.411 4.751 1.00 0.00 O ATOM 1450 CB SER A 96 7.138 -7.205 1.743 1.00 0.00 C ATOM 1451 OG SER A 96 7.388 -6.772 0.417 1.00 0.00 O ATOM 0 H SER A 96 7.378 -4.697 2.902 1.00 0.00 H new ATOM 0 HA SER A 96 5.158 -6.392 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.069 -7.204 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.773 -8.232 1.731 1.00 0.00 H new ATOM 0 HG SER A 96 8.047 -7.364 -0.002 1.00 0.00 H new ATOM 1457 N ILE A 97 4.857 -7.488 4.135 1.00 0.00 N ATOM 1458 CA ILE A 97 4.565 -7.973 5.478 1.00 0.00 C ATOM 1459 C ILE A 97 4.040 -9.405 5.443 1.00 0.00 C ATOM 1460 O ILE A 97 3.165 -9.738 4.644 1.00 0.00 O ATOM 1461 CB ILE A 97 3.532 -7.078 6.188 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.339 -7.533 7.636 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.208 -7.100 5.439 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.258 -6.772 8.370 1.00 0.00 C ATOM 0 H ILE A 97 4.178 -7.770 3.427 1.00 0.00 H new ATOM 0 HA ILE A 97 5.502 -7.944 6.034 1.00 0.00 H new ATOM 0 HB ILE A 97 3.906 -6.054 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.094 -8.595 7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.281 -7.419 8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.488 -6.463 5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.358 -6.732 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.828 -8.121 5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.177 -7.148 9.390 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.511 -5.712 8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.306 -6.907 7.857 1.00 0.00 H new ATOM 1476 N THR A 98 4.581 -10.249 6.316 1.00 0.00 N ATOM 1477 CA THR A 98 4.168 -11.645 6.386 1.00 0.00 C ATOM 1478 C THR A 98 3.026 -11.831 7.378 1.00 0.00 C ATOM 1479 O THR A 98 3.103 -11.381 8.522 1.00 0.00 O ATOM 1480 CB THR A 98 5.340 -12.558 6.793 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.342 -12.554 5.770 1.00 0.00 O ATOM 1482 CG2 THR A 98 4.859 -13.981 7.035 1.00 0.00 C ATOM 0 H THR A 98 5.306 -9.990 6.985 1.00 0.00 H new ATOM 0 HA THR A 98 3.829 -11.925 5.389 1.00 0.00 H new ATOM 0 HB THR A 98 5.767 -12.174 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.084 -13.135 6.037 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.704 -14.607 7.321 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.118 -13.984 7.835 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.409 -14.373 6.123 1.00 0.00 H new ATOM 1490 N THR A 99 1.965 -12.498 6.934 1.00 0.00 N ATOM 1491 CA THR A 99 0.806 -12.743 7.782 1.00 0.00 C ATOM 1492 C THR A 99 1.090 -13.846 8.795 1.00 0.00 C ATOM 1493 O THR A 99 2.167 -14.443 8.791 1.00 0.00 O ATOM 1494 CB THR A 99 -0.429 -13.134 6.948 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.064 -14.099 5.956 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.035 -11.912 6.275 1.00 0.00 C ATOM 0 H THR A 99 1.885 -12.878 5.991 1.00 0.00 H new ATOM 0 HA THR A 99 0.599 -11.812 8.310 1.00 0.00 H new ATOM 0 HB THR A 99 -1.172 -13.566 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.866 -14.393 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.906 -12.212 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.338 -11.191 7.034 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.296 -11.456 5.616 1.00 0.00 H new ATOM 1504 N ILE A 100 0.118 -14.112 9.661 1.00 0.00 N ATOM 1505 CA ILE A 100 0.264 -15.146 10.679 1.00 0.00 C ATOM 1506 C ILE A 100 -0.987 -16.014 10.764 1.00 0.00 C ATOM 1507 O ILE A 100 -2.074 -15.598 10.362 1.00 0.00 O ATOM 1508 CB ILE A 100 0.546 -14.535 12.065 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.534 -13.513 12.426 1.00 0.00 C ATOM 1510 CG2 ILE A 100 1.924 -13.889 12.088 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.249 -12.760 13.706 1.00 0.00 C ATOM 0 H ILE A 100 -0.779 -13.626 9.678 1.00 0.00 H new ATOM 0 HA ILE A 100 1.112 -15.763 10.383 1.00 0.00 H new ATOM 0 HB ILE A 100 0.527 -15.332 12.808 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.635 -12.799 11.609 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.491 -14.026 12.521 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.109 -13.462 13.074 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.682 -14.641 11.870 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.969 -13.101 11.336 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.056 -12.053 13.900 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.177 -13.465 14.534 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.692 -12.219 13.608 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.826 -17.223 11.292 1.00 0.00 N ATOM 1524 CA LYS A 101 -1.942 -18.151 11.434 1.00 0.00 C ATOM 1525 C LYS A 101 -2.665 -17.933 12.759 1.00 0.00 C ATOM 1526 O LYS A 101 -2.613 -18.779 13.651 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.446 -19.595 11.342 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.565 -20.621 11.281 1.00 0.00 C ATOM 1529 CD LYS A 101 -3.036 -20.847 9.855 1.00 0.00 C ATOM 1530 CE LYS A 101 -4.066 -21.963 9.779 1.00 0.00 C ATOM 1531 NZ LYS A 101 -4.298 -22.410 8.377 1.00 0.00 N ATOM 0 H LYS A 101 0.067 -17.583 11.629 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.645 -17.963 10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.820 -19.699 10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.815 -19.809 12.205 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.219 -21.564 11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.402 -20.285 11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.466 -19.926 9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.183 -21.094 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.730 -22.809 10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.006 -21.620 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.006 -23.171 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.643 -21.609 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.407 -22.762 7.973 1.00 0.00 H new