USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 773 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 LYS NZ :NH3+ -175:sc= 0.756 (180deg=0.723) USER MOD Set 1.2: A 61 HIS :FLIP no HE2:sc= -0.26 F(o=-0.18,f=0.5) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.653 K(o=-0.65,f=-9.8!) USER MOD Single : A 15 TYR OH : rot -159:sc= 1.25 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0795 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -152:sc= -1.46 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.097 F(o=-0.66,f=-0.097) USER MOD Single : A 45 LYS NZ :NH3+ 145:sc= -0.87 (180deg=-3.55) USER MOD Single : A 47 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.27) USER MOD Single : A 49 CYS SG : rot -140:sc= -0.107 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.898 F(o=-1.5,f=-0.9) USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= -0.0114 (180deg=-0.166) USER MOD Single : A 60 ASN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -2.81 K(o=-2.8,f=-5.8!) USER MOD Single : A 73 HIS : no HD1:sc= -2.45 X(o=-2.5,f=-2.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 56:sc= 0.31 USER MOD Single : A 90 THR OG1 : rot -76:sc= 1.05 USER MOD Single : A 96 TYR OH : rot 30:sc= -2.17 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 1.449 -7.543 -6.427 1.00 0.00 N ATOM 63 CA GLU A 5 1.683 -6.693 -7.587 1.00 0.00 C ATOM 64 C GLU A 5 0.447 -5.868 -7.925 1.00 0.00 C ATOM 65 O GLU A 5 0.525 -4.874 -8.646 1.00 0.00 O ATOM 66 CB GLU A 5 2.083 -7.554 -8.780 1.00 0.00 C ATOM 67 CG GLU A 5 3.582 -7.676 -8.940 1.00 0.00 C ATOM 68 CD GLU A 5 3.996 -8.043 -10.351 1.00 0.00 C ATOM 69 OE1 GLU A 5 3.856 -9.228 -10.722 1.00 0.00 O ATOM 70 OE2 GLU A 5 4.459 -7.146 -11.086 1.00 0.00 O ATOM 0 HA GLU A 5 2.491 -6.001 -7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.653 -8.549 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.659 -7.127 -9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.050 -6.731 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.956 -8.431 -8.249 1.00 0.00 H new ATOM 77 N SER A 6 -0.692 -6.291 -7.399 1.00 0.00 N ATOM 78 CA SER A 6 -1.954 -5.599 -7.633 1.00 0.00 C ATOM 79 C SER A 6 -2.763 -5.511 -6.343 1.00 0.00 C ATOM 80 O SER A 6 -2.452 -6.184 -5.360 1.00 0.00 O ATOM 81 CB SER A 6 -2.761 -6.319 -8.713 1.00 0.00 C ATOM 82 OG SER A 6 -2.678 -5.637 -9.953 1.00 0.00 O ATOM 0 H SER A 6 -0.770 -7.115 -6.803 1.00 0.00 H new ATOM 0 HA SER A 6 -1.734 -4.587 -7.974 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.391 -7.338 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.804 -6.392 -8.404 1.00 0.00 H new ATOM 0 HG SER A 6 -3.201 -6.119 -10.627 1.00 0.00 H new ATOM 88 N ILE A 7 -3.800 -4.679 -6.348 1.00 0.00 N ATOM 89 CA ILE A 7 -4.642 -4.512 -5.171 1.00 0.00 C ATOM 90 C ILE A 7 -6.120 -4.666 -5.520 1.00 0.00 C ATOM 91 O ILE A 7 -6.518 -4.501 -6.673 1.00 0.00 O ATOM 92 CB ILE A 7 -4.420 -3.134 -4.516 1.00 0.00 C ATOM 93 CG1 ILE A 7 -2.941 -2.939 -4.181 1.00 0.00 C ATOM 94 CG2 ILE A 7 -5.275 -2.992 -3.264 1.00 0.00 C ATOM 95 CD1 ILE A 7 -2.187 -2.134 -5.218 1.00 0.00 C ATOM 0 H ILE A 7 -4.076 -4.113 -7.150 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.358 -5.293 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.721 -2.361 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.858 -2.440 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.469 -3.916 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.104 -2.013 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.328 -3.091 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.006 -3.770 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.145 -2.036 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.239 -2.642 -6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.634 -1.144 -5.306 1.00 0.00 H new ATOM 107 N ARG A 8 -6.926 -4.980 -4.511 1.00 0.00 N ATOM 108 CA ARG A 8 -8.362 -5.153 -4.699 1.00 0.00 C ATOM 109 C ARG A 8 -9.087 -5.129 -3.358 1.00 0.00 C ATOM 110 O ARG A 8 -8.972 -6.062 -2.562 1.00 0.00 O ATOM 111 CB ARG A 8 -8.652 -6.468 -5.426 1.00 0.00 C ATOM 112 CG ARG A 8 -10.134 -6.722 -5.654 1.00 0.00 C ATOM 113 CD ARG A 8 -10.370 -7.627 -6.852 1.00 0.00 C ATOM 114 NE ARG A 8 -10.700 -8.992 -6.450 1.00 0.00 N ATOM 115 CZ ARG A 8 -11.320 -9.869 -7.237 1.00 0.00 C ATOM 116 NH1 ARG A 8 -11.676 -9.531 -8.470 1.00 0.00 N ATOM 117 NH2 ARG A 8 -11.584 -11.090 -6.790 1.00 0.00 N ATOM 0 H ARG A 8 -6.608 -5.120 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.727 -4.326 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.140 -6.462 -6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.235 -7.293 -4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.567 -7.177 -4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.647 -5.773 -5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.180 -7.222 -7.458 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.478 -7.639 -7.478 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.440 -9.291 -5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.475 -8.594 -8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.151 -10.208 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.312 -11.357 -5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.059 -11.762 -7.393 1.00 0.00 H new ATOM 131 N PHE A 9 -9.833 -4.057 -3.113 1.00 0.00 N ATOM 132 CA PHE A 9 -10.576 -3.913 -1.866 1.00 0.00 C ATOM 133 C PHE A 9 -12.025 -3.526 -2.141 1.00 0.00 C ATOM 134 O PHE A 9 -12.377 -2.346 -2.125 1.00 0.00 O ATOM 135 CB PHE A 9 -9.914 -2.861 -0.973 1.00 0.00 C ATOM 136 CG PHE A 9 -9.646 -1.560 -1.674 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.696 -1.482 -2.679 1.00 0.00 C ATOM 138 CD2 PHE A 9 -10.345 -0.415 -1.327 1.00 0.00 C ATOM 139 CE1 PHE A 9 -8.447 -0.286 -3.326 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.101 0.784 -1.970 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.151 0.848 -2.971 1.00 0.00 C ATOM 0 H PHE A 9 -9.939 -3.276 -3.760 1.00 0.00 H new ATOM 0 HA PHE A 9 -10.566 -4.874 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.554 -2.674 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.974 -3.259 -0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.143 -2.366 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.089 -0.460 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.703 -0.238 -4.108 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.652 1.670 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.959 1.784 -3.475 1.00 0.00 H new ATOM 151 N GLY A 10 -12.861 -4.527 -2.397 1.00 0.00 N ATOM 152 CA GLY A 10 -14.261 -4.269 -2.674 1.00 0.00 C ATOM 153 C GLY A 10 -14.483 -3.741 -4.081 1.00 0.00 C ATOM 154 O GLY A 10 -13.813 -4.176 -5.018 1.00 0.00 O ATOM 0 H GLY A 10 -12.594 -5.511 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.831 -5.188 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.645 -3.547 -1.953 1.00 0.00 H new ATOM 158 N PRO A 11 -15.420 -2.796 -4.263 1.00 0.00 N ATOM 159 CA PRO A 11 -15.711 -2.219 -5.580 1.00 0.00 C ATOM 160 C PRO A 11 -14.566 -1.356 -6.106 1.00 0.00 C ATOM 161 O PRO A 11 -14.554 -0.972 -7.275 1.00 0.00 O ATOM 162 CB PRO A 11 -16.953 -1.360 -5.328 1.00 0.00 C ATOM 163 CG PRO A 11 -16.897 -1.026 -3.878 1.00 0.00 C ATOM 164 CD PRO A 11 -16.268 -2.214 -3.205 1.00 0.00 C ATOM 0 HA PRO A 11 -15.855 -2.991 -6.336 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.942 -0.459 -5.942 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.866 -1.903 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.309 -0.124 -3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.895 -0.836 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.680 -1.919 -2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.019 -2.923 -2.856 1.00 0.00 H new ATOM 172 N ASN A 12 -13.604 -1.053 -5.237 1.00 0.00 N ATOM 173 CA ASN A 12 -12.460 -0.235 -5.621 1.00 0.00 C ATOM 174 C ASN A 12 -11.160 -1.024 -5.510 1.00 0.00 C ATOM 175 O ASN A 12 -10.928 -1.727 -4.527 1.00 0.00 O ATOM 176 CB ASN A 12 -12.384 1.015 -4.742 1.00 0.00 C ATOM 177 CG ASN A 12 -13.235 2.150 -5.278 1.00 0.00 C ATOM 178 OD1 ASN A 12 -12.745 3.024 -5.993 1.00 0.00 O ATOM 179 ND2 ASN A 12 -14.517 2.143 -4.932 1.00 0.00 N ATOM 0 H ASN A 12 -13.595 -1.362 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.594 0.064 -6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.709 0.766 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.347 1.344 -4.671 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.138 2.882 -5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.881 1.398 -4.337 1.00 0.00 H new ATOM 186 N VAL A 13 -10.312 -0.898 -6.526 1.00 0.00 N ATOM 187 CA VAL A 13 -9.031 -1.592 -6.546 1.00 0.00 C ATOM 188 C VAL A 13 -7.880 -0.602 -6.684 1.00 0.00 C ATOM 189 O VAL A 13 -8.097 0.582 -6.943 1.00 0.00 O ATOM 190 CB VAL A 13 -8.959 -2.612 -7.698 1.00 0.00 C ATOM 191 CG1 VAL A 13 -9.986 -3.717 -7.498 1.00 0.00 C ATOM 192 CG2 VAL A 13 -9.162 -1.921 -9.038 1.00 0.00 C ATOM 0 H VAL A 13 -10.490 -0.320 -7.347 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.942 -2.124 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.967 -3.065 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.920 -4.428 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.788 -4.231 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.986 -3.284 -7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.108 -2.658 -9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.139 -1.439 -9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.385 -1.171 -9.182 1.00 0.00 H new ATOM 202 N PHE A 14 -6.656 -1.089 -6.509 1.00 0.00 N ATOM 203 CA PHE A 14 -5.478 -0.238 -6.616 1.00 0.00 C ATOM 204 C PHE A 14 -4.407 -0.898 -7.477 1.00 0.00 C ATOM 205 O PHE A 14 -4.389 -2.119 -7.637 1.00 0.00 O ATOM 206 CB PHE A 14 -4.918 0.072 -5.225 1.00 0.00 C ATOM 207 CG PHE A 14 -4.906 1.538 -4.895 1.00 0.00 C ATOM 208 CD1 PHE A 14 -3.833 2.334 -5.261 1.00 0.00 C ATOM 209 CD2 PHE A 14 -5.968 2.118 -4.220 1.00 0.00 C ATOM 210 CE1 PHE A 14 -3.819 3.683 -4.959 1.00 0.00 C ATOM 211 CE2 PHE A 14 -5.959 3.465 -3.915 1.00 0.00 C ATOM 212 CZ PHE A 14 -4.884 4.249 -4.285 1.00 0.00 C ATOM 0 H PHE A 14 -6.455 -2.065 -6.293 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.776 0.695 -7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.511 -0.455 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.902 -0.316 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.998 1.896 -5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.812 1.510 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.977 4.294 -5.250 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.792 3.905 -3.387 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.876 5.303 -4.048 1.00 0.00 H new ATOM 222 N TYR A 15 -3.517 -0.082 -8.028 1.00 0.00 N ATOM 223 CA TYR A 15 -2.440 -0.584 -8.872 1.00 0.00 C ATOM 224 C TYR A 15 -1.105 0.019 -8.453 1.00 0.00 C ATOM 225 O TYR A 15 -0.881 1.221 -8.599 1.00 0.00 O ATOM 226 CB TYR A 15 -2.721 -0.263 -10.340 1.00 0.00 C ATOM 227 CG TYR A 15 -4.037 -0.815 -10.840 1.00 0.00 C ATOM 228 CD1 TYR A 15 -4.210 -2.180 -11.037 1.00 0.00 C ATOM 229 CD2 TYR A 15 -5.106 0.028 -11.115 1.00 0.00 C ATOM 230 CE1 TYR A 15 -5.411 -2.688 -11.494 1.00 0.00 C ATOM 231 CE2 TYR A 15 -6.310 -0.472 -11.573 1.00 0.00 C ATOM 232 CZ TYR A 15 -6.458 -1.830 -11.760 1.00 0.00 C ATOM 233 OH TYR A 15 -7.655 -2.332 -12.216 1.00 0.00 O ATOM 0 H TYR A 15 -3.520 0.931 -7.905 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.387 -1.666 -8.751 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.716 0.819 -10.474 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.913 -0.664 -10.952 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.392 -2.855 -10.830 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.994 1.092 -10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.529 -3.751 -11.642 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.131 0.198 -11.783 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.161 -1.620 -12.660 1.00 0.00 H new ATOM 243 N VAL A 16 -0.222 -0.823 -7.929 1.00 0.00 N ATOM 244 CA VAL A 16 1.091 -0.375 -7.485 1.00 0.00 C ATOM 245 C VAL A 16 1.936 0.136 -8.651 1.00 0.00 C ATOM 246 O VAL A 16 2.959 0.789 -8.444 1.00 0.00 O ATOM 247 CB VAL A 16 1.852 -1.506 -6.767 1.00 0.00 C ATOM 248 CG1 VAL A 16 1.227 -1.796 -5.409 1.00 0.00 C ATOM 249 CG2 VAL A 16 1.880 -2.762 -7.627 1.00 0.00 C ATOM 0 H VAL A 16 -0.392 -1.821 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 16 0.922 0.445 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 16 2.879 -1.180 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.779 -2.598 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.265 -0.898 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.189 -2.100 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.422 -3.550 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.860 -3.092 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.379 -2.545 -8.572 1.00 0.00 H new ATOM 259 N LEU A 17 1.510 -0.166 -9.875 1.00 0.00 N ATOM 260 CA LEU A 17 2.239 0.265 -11.063 1.00 0.00 C ATOM 261 C LEU A 17 1.435 1.281 -11.873 1.00 0.00 C ATOM 262 O LEU A 17 2.003 2.073 -12.626 1.00 0.00 O ATOM 263 CB LEU A 17 2.582 -0.941 -11.939 1.00 0.00 C ATOM 264 CG LEU A 17 1.380 -1.753 -12.424 1.00 0.00 C ATOM 265 CD1 LEU A 17 0.738 -1.087 -13.632 1.00 0.00 C ATOM 266 CD2 LEU A 17 1.800 -3.176 -12.758 1.00 0.00 C ATOM 0 H LEU A 17 0.667 -0.706 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 17 3.159 0.746 -10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.140 -0.592 -12.808 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.244 -1.601 -11.379 1.00 0.00 H new ATOM 0 HG LEU A 17 0.643 -1.791 -11.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.115 -1.679 -13.963 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.402 -0.086 -13.360 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.467 -1.018 -14.440 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.933 -3.740 -13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.555 -3.158 -13.544 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.213 -3.652 -11.869 1.00 0.00 H new ATOM 278 N LYS A 18 0.114 1.253 -11.722 1.00 0.00 N ATOM 279 CA LYS A 18 -0.755 2.172 -12.449 1.00 0.00 C ATOM 280 C LYS A 18 -1.002 3.450 -11.651 1.00 0.00 C ATOM 281 O LYS A 18 -1.113 4.535 -12.221 1.00 0.00 O ATOM 282 CB LYS A 18 -2.088 1.495 -12.780 1.00 0.00 C ATOM 283 CG LYS A 18 -2.540 1.713 -14.216 1.00 0.00 C ATOM 284 CD LYS A 18 -3.120 0.443 -14.818 1.00 0.00 C ATOM 285 CE LYS A 18 -3.316 0.575 -16.321 1.00 0.00 C ATOM 286 NZ LYS A 18 -4.702 0.223 -16.734 1.00 0.00 N ATOM 0 H LYS A 18 -0.377 0.606 -11.105 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.252 2.443 -13.377 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.999 0.425 -12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.856 1.873 -12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.288 2.505 -14.247 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.695 2.049 -14.817 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.456 -0.396 -14.609 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.076 0.218 -14.344 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.095 1.597 -16.627 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.608 -0.073 -16.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.794 0.326 -17.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.905 -0.761 -16.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.377 0.858 -16.261 1.00 0.00 H new ATOM 300 N LEU A 19 -1.089 3.316 -10.330 1.00 0.00 N ATOM 301 CA LEU A 19 -1.325 4.462 -9.460 1.00 0.00 C ATOM 302 C LEU A 19 -2.677 5.102 -9.758 1.00 0.00 C ATOM 303 O LEU A 19 -2.792 6.324 -9.853 1.00 0.00 O ATOM 304 CB LEU A 19 -0.208 5.496 -9.626 1.00 0.00 C ATOM 305 CG LEU A 19 1.192 5.001 -9.259 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.253 5.921 -9.843 1.00 0.00 C ATOM 307 CD2 LEU A 19 1.339 4.905 -7.748 1.00 0.00 C ATOM 0 H LEU A 19 -1.000 2.426 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.331 4.108 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.197 5.834 -10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.443 6.364 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 19 1.331 4.007 -9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.243 5.553 -9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.159 5.942 -10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.119 6.928 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.340 4.551 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.182 5.888 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.601 4.207 -7.354 1.00 0.00 H new ATOM 319 N THR A 20 -3.700 4.266 -9.905 1.00 0.00 N ATOM 320 CA THR A 20 -5.047 4.748 -10.192 1.00 0.00 C ATOM 321 C THR A 20 -6.095 3.833 -9.566 1.00 0.00 C ATOM 322 O THR A 20 -5.960 2.609 -9.593 1.00 0.00 O ATOM 323 CB THR A 20 -5.267 4.837 -11.703 1.00 0.00 C ATOM 324 OG1 THR A 20 -4.268 5.639 -12.308 1.00 0.00 O ATOM 325 CG2 THR A 20 -6.613 5.418 -12.079 1.00 0.00 C ATOM 0 H THR A 20 -3.622 3.252 -9.830 1.00 0.00 H new ATOM 0 HA THR A 20 -5.152 5.742 -9.758 1.00 0.00 H new ATOM 0 HB THR A 20 -5.220 3.809 -12.063 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.425 5.683 -13.274 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.704 5.453 -13.165 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.406 4.793 -11.668 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.700 6.427 -11.675 1.00 0.00 H new ATOM 333 N VAL A 21 -7.138 4.433 -9.003 1.00 0.00 N ATOM 334 CA VAL A 21 -8.208 3.670 -8.371 1.00 0.00 C ATOM 335 C VAL A 21 -9.380 3.475 -9.326 1.00 0.00 C ATOM 336 O VAL A 21 -10.101 4.422 -9.641 1.00 0.00 O ATOM 337 CB VAL A 21 -8.713 4.361 -7.090 1.00 0.00 C ATOM 338 CG1 VAL A 21 -9.640 3.437 -6.315 1.00 0.00 C ATOM 339 CG2 VAL A 21 -7.544 4.802 -6.223 1.00 0.00 C ATOM 0 H VAL A 21 -7.265 5.445 -8.971 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.790 2.698 -8.108 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.277 5.248 -7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.987 3.942 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.496 3.176 -6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.102 2.530 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.921 5.288 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.950 3.932 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.922 5.503 -6.780 1.00 0.00 H new ATOM 349 N GLU A 22 -9.565 2.242 -9.783 1.00 0.00 N ATOM 350 CA GLU A 22 -10.649 1.922 -10.703 1.00 0.00 C ATOM 351 C GLU A 22 -11.994 1.927 -9.984 1.00 0.00 C ATOM 352 O GLU A 22 -12.454 0.893 -9.498 1.00 0.00 O ATOM 353 CB GLU A 22 -10.410 0.557 -11.352 1.00 0.00 C ATOM 354 CG GLU A 22 -11.303 0.289 -12.552 1.00 0.00 C ATOM 355 CD GLU A 22 -10.812 -0.870 -13.397 1.00 0.00 C ATOM 356 OE1 GLU A 22 -9.592 -1.139 -13.384 1.00 0.00 O ATOM 357 OE2 GLU A 22 -11.647 -1.509 -14.071 1.00 0.00 O ATOM 0 H GLU A 22 -8.978 1.447 -9.531 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.670 2.687 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.368 0.490 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.572 -0.223 -10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.315 0.079 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.356 1.186 -13.168 1.00 0.00 H new ATOM 364 N THR A 23 -12.621 3.097 -9.920 1.00 0.00 N ATOM 365 CA THR A 23 -13.913 3.237 -9.261 1.00 0.00 C ATOM 366 C THR A 23 -15.010 2.544 -10.066 1.00 0.00 C ATOM 367 O THR A 23 -14.850 2.291 -11.260 1.00 0.00 O ATOM 368 CB THR A 23 -14.260 4.715 -9.072 1.00 0.00 C ATOM 369 OG1 THR A 23 -13.907 5.468 -10.221 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.574 5.343 -7.876 1.00 0.00 C ATOM 0 H THR A 23 -12.254 3.962 -10.317 1.00 0.00 H new ATOM 0 HA THR A 23 -13.846 2.761 -8.283 1.00 0.00 H new ATOM 0 HB THR A 23 -15.337 4.739 -8.905 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.139 6.409 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.863 6.391 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.871 4.817 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.493 5.273 -7.998 1.00 0.00 H new ATOM 378 N PRO A 24 -16.142 2.226 -9.417 1.00 0.00 N ATOM 379 CA PRO A 24 -17.267 1.560 -10.073 1.00 0.00 C ATOM 380 C PRO A 24 -18.078 2.507 -10.955 1.00 0.00 C ATOM 381 O PRO A 24 -18.974 2.076 -11.682 1.00 0.00 O ATOM 382 CB PRO A 24 -18.108 1.069 -8.896 1.00 0.00 C ATOM 383 CG PRO A 24 -17.834 2.038 -7.803 1.00 0.00 C ATOM 384 CD PRO A 24 -16.413 2.492 -7.992 1.00 0.00 C ATOM 0 HA PRO A 24 -16.939 0.768 -10.747 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.168 1.048 -9.149 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.829 0.056 -8.606 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.522 2.882 -7.850 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.967 1.572 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.296 3.549 -7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.729 1.942 -7.346 1.00 0.00 H new ATOM 392 N GLU A 25 -17.761 3.797 -10.890 1.00 0.00 N ATOM 393 CA GLU A 25 -18.463 4.797 -11.686 1.00 0.00 C ATOM 394 C GLU A 25 -17.574 5.315 -12.812 1.00 0.00 C ATOM 395 O GLU A 25 -18.063 5.691 -13.878 1.00 0.00 O ATOM 396 CB GLU A 25 -18.914 5.960 -10.801 1.00 0.00 C ATOM 397 CG GLU A 25 -20.152 6.673 -11.318 1.00 0.00 C ATOM 398 CD GLU A 25 -21.002 7.250 -10.203 1.00 0.00 C ATOM 399 OE1 GLU A 25 -21.607 6.460 -9.448 1.00 0.00 O ATOM 400 OE2 GLU A 25 -21.061 8.492 -10.084 1.00 0.00 O ATOM 0 H GLU A 25 -17.023 4.173 -10.295 1.00 0.00 H new ATOM 0 HA GLU A 25 -19.341 4.324 -12.127 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.113 5.586 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.099 6.679 -10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.850 7.475 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.751 5.975 -11.902 1.00 0.00 H new ATOM 407 N GLY A 26 -16.268 5.333 -12.569 1.00 0.00 N ATOM 408 CA GLY A 26 -15.333 5.806 -13.572 1.00 0.00 C ATOM 409 C GLY A 26 -13.888 5.568 -13.178 1.00 0.00 C ATOM 410 O GLY A 26 -13.383 4.451 -13.290 1.00 0.00 O ATOM 0 H GLY A 26 -15.840 5.028 -11.695 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.536 5.304 -14.518 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.490 6.872 -13.737 1.00 0.00 H new ATOM 414 N SER A 27 -13.221 6.621 -12.717 1.00 0.00 N ATOM 415 CA SER A 27 -11.825 6.522 -12.306 1.00 0.00 C ATOM 416 C SER A 27 -11.472 7.624 -11.312 1.00 0.00 C ATOM 417 O SER A 27 -12.221 8.586 -11.145 1.00 0.00 O ATOM 418 CB SER A 27 -10.906 6.606 -13.526 1.00 0.00 C ATOM 419 OG SER A 27 -9.801 5.729 -13.394 1.00 0.00 O ATOM 0 H SER A 27 -13.624 7.553 -12.619 1.00 0.00 H new ATOM 0 HA SER A 27 -11.683 5.558 -11.818 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.468 6.355 -14.426 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.550 7.629 -13.647 1.00 0.00 H new ATOM 0 HG SER A 27 -9.230 5.800 -14.187 1.00 0.00 H new ATOM 425 N VAL A 28 -10.327 7.475 -10.653 1.00 0.00 N ATOM 426 CA VAL A 28 -9.877 8.458 -9.674 1.00 0.00 C ATOM 427 C VAL A 28 -8.355 8.479 -9.572 1.00 0.00 C ATOM 428 O VAL A 28 -7.752 7.592 -8.968 1.00 0.00 O ATOM 429 CB VAL A 28 -10.470 8.173 -8.281 1.00 0.00 C ATOM 430 CG1 VAL A 28 -10.131 9.297 -7.314 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.975 7.973 -8.373 1.00 0.00 C ATOM 0 H VAL A 28 -9.695 6.684 -10.779 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.227 9.431 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.027 7.253 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.559 9.077 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.048 9.386 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.543 10.235 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.377 7.773 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.438 8.874 -8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.191 7.129 -9.028 1.00 0.00 H new ATOM 441 N HIS A 29 -7.740 9.500 -10.162 1.00 0.00 N ATOM 442 CA HIS A 29 -6.288 9.638 -10.132 1.00 0.00 C ATOM 443 C HIS A 29 -5.821 10.125 -8.764 1.00 0.00 C ATOM 444 O HIS A 29 -6.632 10.520 -7.927 1.00 0.00 O ATOM 445 CB HIS A 29 -5.823 10.607 -11.221 1.00 0.00 C ATOM 446 CG HIS A 29 -5.407 9.928 -12.489 1.00 0.00 C ATOM 447 ND1 HIS A 29 -6.269 9.176 -13.260 1.00 0.00 N ATOM 448 CD2 HIS A 29 -4.210 9.888 -13.122 1.00 0.00 C ATOM 449 CE1 HIS A 29 -5.621 8.704 -14.310 1.00 0.00 C ATOM 450 NE2 HIS A 29 -4.371 9.121 -14.250 1.00 0.00 N ATOM 0 H HIS A 29 -8.224 10.243 -10.666 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.848 8.659 -10.320 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.629 11.307 -11.441 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.986 11.193 -10.841 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.299 10.370 -12.800 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.043 8.082 -15.086 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.642 8.908 -14.931 1.00 0.00 H new ATOM 459 N LEU A 30 -4.511 10.091 -8.541 1.00 0.00 N ATOM 460 CA LEU A 30 -3.944 10.528 -7.270 1.00 0.00 C ATOM 461 C LEU A 30 -2.433 10.718 -7.379 1.00 0.00 C ATOM 462 O LEU A 30 -1.820 10.333 -8.375 1.00 0.00 O ATOM 463 CB LEU A 30 -4.274 9.509 -6.170 1.00 0.00 C ATOM 464 CG LEU A 30 -3.261 8.371 -5.994 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.809 7.302 -5.061 1.00 0.00 C ATOM 466 CD2 LEU A 30 -2.894 7.764 -7.340 1.00 0.00 C ATOM 0 H LEU A 30 -3.824 9.766 -9.222 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.387 11.490 -7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.364 10.041 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.250 9.073 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.358 8.788 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.074 6.504 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.017 7.742 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.729 6.892 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.174 6.959 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.790 7.367 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.454 8.531 -7.977 1.00 0.00 H new ATOM 478 N THR A 31 -1.839 11.307 -6.346 1.00 0.00 N ATOM 479 CA THR A 31 -0.400 11.536 -6.325 1.00 0.00 C ATOM 480 C THR A 31 0.342 10.227 -6.062 1.00 0.00 C ATOM 481 O THR A 31 -0.083 9.424 -5.231 1.00 0.00 O ATOM 482 CB THR A 31 -0.036 12.572 -5.257 1.00 0.00 C ATOM 483 OG1 THR A 31 -1.203 13.142 -4.689 1.00 0.00 O ATOM 484 CG2 THR A 31 0.814 13.705 -5.788 1.00 0.00 C ATOM 0 H THR A 31 -2.331 11.634 -5.514 1.00 0.00 H new ATOM 0 HA THR A 31 -0.099 11.921 -7.299 1.00 0.00 H new ATOM 0 HB THR A 31 0.539 12.025 -4.510 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.948 13.799 -4.008 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.036 14.403 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.746 13.305 -6.188 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.274 14.225 -6.579 1.00 0.00 H new ATOM 492 N PRO A 32 1.457 9.985 -6.771 1.00 0.00 N ATOM 493 CA PRO A 32 2.239 8.760 -6.607 1.00 0.00 C ATOM 494 C PRO A 32 3.124 8.785 -5.368 1.00 0.00 C ATOM 495 O PRO A 32 3.556 7.739 -4.883 1.00 0.00 O ATOM 496 CB PRO A 32 3.087 8.721 -7.875 1.00 0.00 C ATOM 497 CG PRO A 32 3.283 10.153 -8.237 1.00 0.00 C ATOM 498 CD PRO A 32 2.037 10.877 -7.794 1.00 0.00 C ATOM 0 HA PRO A 32 1.603 7.885 -6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.040 8.222 -7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.583 8.175 -8.673 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.165 10.561 -7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.437 10.265 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.270 11.859 -7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.349 11.034 -8.625 1.00 0.00 H new ATOM 506 N SER A 33 3.387 9.978 -4.856 1.00 0.00 N ATOM 507 CA SER A 33 4.216 10.123 -3.667 1.00 0.00 C ATOM 508 C SER A 33 3.416 9.792 -2.423 1.00 0.00 C ATOM 509 O SER A 33 3.929 9.190 -1.480 1.00 0.00 O ATOM 510 CB SER A 33 4.787 11.540 -3.572 1.00 0.00 C ATOM 511 OG SER A 33 5.453 11.903 -4.769 1.00 0.00 O ATOM 0 H SER A 33 3.041 10.856 -5.242 1.00 0.00 H new ATOM 0 HA SER A 33 5.049 9.424 -3.744 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.982 12.247 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.481 11.600 -2.733 1.00 0.00 H new ATOM 0 HG SER A 33 5.807 12.813 -4.683 1.00 0.00 H new ATOM 517 N GLU A 34 2.150 10.168 -2.438 1.00 0.00 N ATOM 518 CA GLU A 34 1.269 9.886 -1.320 1.00 0.00 C ATOM 519 C GLU A 34 0.731 8.478 -1.446 1.00 0.00 C ATOM 520 O GLU A 34 0.670 7.731 -0.470 1.00 0.00 O ATOM 521 CB GLU A 34 0.130 10.907 -1.245 1.00 0.00 C ATOM 522 CG GLU A 34 -0.837 10.837 -2.415 1.00 0.00 C ATOM 523 CD GLU A 34 -2.009 9.913 -2.148 1.00 0.00 C ATOM 524 OE1 GLU A 34 -2.849 10.253 -1.288 1.00 0.00 O ATOM 525 OE2 GLU A 34 -2.087 8.849 -2.797 1.00 0.00 O ATOM 0 H GLU A 34 1.710 10.668 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 34 1.836 9.966 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.424 10.752 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.556 11.909 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.210 11.838 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.304 10.495 -3.302 1.00 0.00 H new ATOM 532 N SER A 35 0.394 8.101 -2.665 1.00 0.00 N ATOM 533 CA SER A 35 -0.083 6.757 -2.919 1.00 0.00 C ATOM 534 C SER A 35 1.093 5.792 -2.834 1.00 0.00 C ATOM 535 O SER A 35 0.911 4.579 -2.744 1.00 0.00 O ATOM 536 CB SER A 35 -0.762 6.666 -4.285 1.00 0.00 C ATOM 537 OG SER A 35 0.191 6.525 -5.323 1.00 0.00 O ATOM 0 H SER A 35 0.441 8.702 -3.488 1.00 0.00 H new ATOM 0 HA SER A 35 -0.827 6.491 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.446 5.817 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.361 7.561 -4.457 1.00 0.00 H new ATOM 0 HG SER A 35 -0.170 6.902 -6.152 1.00 0.00 H new ATOM 543 N GLY A 36 2.309 6.348 -2.837 1.00 0.00 N ATOM 544 CA GLY A 36 3.491 5.527 -2.731 1.00 0.00 C ATOM 545 C GLY A 36 3.610 4.913 -1.358 1.00 0.00 C ATOM 546 O GLY A 36 4.116 3.802 -1.205 1.00 0.00 O ATOM 0 H GLY A 36 2.486 7.350 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.457 4.738 -3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.375 6.129 -2.940 1.00 0.00 H new ATOM 550 N ILE A 37 3.124 5.636 -0.354 1.00 0.00 N ATOM 551 CA ILE A 37 3.164 5.143 1.017 1.00 0.00 C ATOM 552 C ILE A 37 2.332 3.879 1.146 1.00 0.00 C ATOM 553 O ILE A 37 2.750 2.902 1.766 1.00 0.00 O ATOM 554 CB ILE A 37 2.659 6.200 2.024 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.551 7.442 1.982 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.611 5.623 3.433 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.895 8.630 1.321 1.00 0.00 C ATOM 0 H ILE A 37 2.701 6.558 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 37 4.205 4.923 1.252 1.00 0.00 H new ATOM 0 HB ILE A 37 1.647 6.489 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.833 7.712 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.471 7.201 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.253 6.384 4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.936 4.767 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.610 5.304 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.583 9.475 1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.637 8.378 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.990 8.896 1.867 1.00 0.00 H new ATOM 569 N LEU A 38 1.162 3.902 0.533 1.00 0.00 N ATOM 570 CA LEU A 38 0.273 2.750 0.552 1.00 0.00 C ATOM 571 C LEU A 38 0.793 1.677 -0.400 1.00 0.00 C ATOM 572 O LEU A 38 0.409 0.511 -0.310 1.00 0.00 O ATOM 573 CB LEU A 38 -1.156 3.163 0.175 1.00 0.00 C ATOM 574 CG LEU A 38 -1.489 3.124 -1.321 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.010 1.751 -1.716 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.507 4.199 -1.668 1.00 0.00 C ATOM 0 H LEU A 38 0.804 4.705 0.016 1.00 0.00 H new ATOM 0 HA LEU A 38 0.250 2.341 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.853 2.510 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.330 4.175 0.540 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.575 3.320 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.241 1.742 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.251 0.999 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.912 1.527 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.732 4.157 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.421 4.032 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.099 5.179 -1.422 1.00 0.00 H new ATOM 588 N LYS A 39 1.675 2.086 -1.311 1.00 0.00 N ATOM 589 CA LYS A 39 2.258 1.171 -2.279 1.00 0.00 C ATOM 590 C LYS A 39 3.392 0.372 -1.655 1.00 0.00 C ATOM 591 O LYS A 39 3.633 -0.775 -2.030 1.00 0.00 O ATOM 592 CB LYS A 39 2.768 1.941 -3.498 1.00 0.00 C ATOM 593 CG LYS A 39 2.659 1.163 -4.799 1.00 0.00 C ATOM 594 CD LYS A 39 3.849 1.426 -5.708 1.00 0.00 C ATOM 595 CE LYS A 39 3.703 2.746 -6.448 1.00 0.00 C ATOM 596 NZ LYS A 39 4.617 2.830 -7.621 1.00 0.00 N ATOM 0 H LYS A 39 1.999 3.049 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 39 1.482 0.476 -2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.206 2.870 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.810 2.215 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.594 0.097 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.739 1.440 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.764 1.438 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.945 0.613 -6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.672 2.863 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.912 3.570 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.548 3.776 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.595 2.660 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.347 2.113 -8.324 1.00 0.00 H new ATOM 610 N ARG A 40 4.083 0.981 -0.700 1.00 0.00 N ATOM 611 CA ARG A 40 5.190 0.311 -0.026 1.00 0.00 C ATOM 612 C ARG A 40 4.671 -0.651 1.030 1.00 0.00 C ATOM 613 O ARG A 40 5.250 -1.712 1.260 1.00 0.00 O ATOM 614 CB ARG A 40 6.140 1.335 0.602 1.00 0.00 C ATOM 615 CG ARG A 40 7.563 1.246 0.075 1.00 0.00 C ATOM 616 CD ARG A 40 7.646 1.684 -1.378 1.00 0.00 C ATOM 617 NE ARG A 40 8.888 1.248 -2.012 1.00 0.00 N ATOM 618 CZ ARG A 40 9.091 0.016 -2.475 1.00 0.00 C ATOM 619 NH1 ARG A 40 8.140 -0.904 -2.376 1.00 0.00 N ATOM 620 NH2 ARG A 40 10.250 -0.296 -3.038 1.00 0.00 N ATOM 0 H ARG A 40 3.899 1.930 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 40 5.745 -0.261 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.755 2.338 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.152 1.193 1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.217 1.871 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.924 0.222 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.797 1.278 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.573 2.770 -1.434 1.00 0.00 H new ATOM 0 HE ARG A 40 9.644 1.927 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.247 -0.670 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.302 -1.846 -2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.985 0.407 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.407 -1.239 -3.393 1.00 0.00 H new ATOM 634 N LEU A 41 3.564 -0.282 1.651 1.00 0.00 N ATOM 635 CA LEU A 41 2.948 -1.122 2.667 1.00 0.00 C ATOM 636 C LEU A 41 2.180 -2.259 2.009 1.00 0.00 C ATOM 637 O LEU A 41 1.951 -3.304 2.616 1.00 0.00 O ATOM 638 CB LEU A 41 2.018 -0.298 3.560 1.00 0.00 C ATOM 639 CG LEU A 41 2.723 0.685 4.497 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.716 1.360 5.416 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.797 -0.028 5.308 1.00 0.00 C ATOM 0 H LEU A 41 3.072 0.593 1.471 1.00 0.00 H new ATOM 0 HA LEU A 41 3.735 -1.543 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.329 0.259 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.417 -0.981 4.160 1.00 0.00 H new ATOM 0 HG LEU A 41 3.204 1.454 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.235 2.056 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.985 1.904 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.206 0.605 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.288 0.686 5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.339 -0.818 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.534 -0.463 4.633 1.00 0.00 H new ATOM 653 N LEU A 42 1.800 -2.051 0.753 1.00 0.00 N ATOM 654 CA LEU A 42 1.076 -3.062 0.000 1.00 0.00 C ATOM 655 C LEU A 42 2.012 -4.197 -0.391 1.00 0.00 C ATOM 656 O LEU A 42 1.583 -5.336 -0.568 1.00 0.00 O ATOM 657 CB LEU A 42 0.435 -2.444 -1.245 1.00 0.00 C ATOM 658 CG LEU A 42 -1.095 -2.420 -1.246 1.00 0.00 C ATOM 659 CD1 LEU A 42 -1.652 -3.826 -1.407 1.00 0.00 C ATOM 660 CD2 LEU A 42 -1.627 -1.776 0.027 1.00 0.00 C ATOM 0 H LEU A 42 1.983 -1.190 0.237 1.00 0.00 H new ATOM 0 HA LEU A 42 0.284 -3.466 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.799 -1.422 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.774 -2.996 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.425 -1.820 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.741 -3.788 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.305 -4.249 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.309 -4.450 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.717 -1.770 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.286 -2.344 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.260 -0.752 0.098 1.00 0.00 H new ATOM 672 N ILE A 43 3.298 -3.881 -0.511 1.00 0.00 N ATOM 673 CA ILE A 43 4.291 -4.886 -0.866 1.00 0.00 C ATOM 674 C ILE A 43 4.412 -5.925 0.243 1.00 0.00 C ATOM 675 O ILE A 43 4.713 -7.090 -0.015 1.00 0.00 O ATOM 676 CB ILE A 43 5.680 -4.266 -1.128 1.00 0.00 C ATOM 677 CG1 ILE A 43 5.553 -2.947 -1.898 1.00 0.00 C ATOM 678 CG2 ILE A 43 6.555 -5.246 -1.896 1.00 0.00 C ATOM 679 CD1 ILE A 43 4.694 -3.047 -3.141 1.00 0.00 C ATOM 0 H ILE A 43 3.674 -2.944 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 43 3.949 -5.357 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 43 6.148 -4.054 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.132 -2.190 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.548 -2.605 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.532 -4.798 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.676 -6.159 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.084 -5.484 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.651 -2.075 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.125 -3.780 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.687 -3.358 -2.863 1.00 0.00 H new ATOM 691 N ASN A 44 4.166 -5.495 1.479 1.00 0.00 N ATOM 692 CA ASN A 44 4.238 -6.392 2.626 1.00 0.00 C ATOM 693 C ASN A 44 2.854 -6.911 2.989 1.00 0.00 C ATOM 694 O ASN A 44 2.692 -8.063 3.392 1.00 0.00 O ATOM 695 CB ASN A 44 4.862 -5.676 3.826 1.00 0.00 C ATOM 696 CG ASN A 44 6.348 -5.948 3.954 1.00 0.00 C ATOM 697 OD1 ASN A 44 6.701 -7.209 4.177 1.00 0.00 O flip ATOM 698 ND2 ASN A 44 7.169 -5.036 3.853 1.00 0.00 N flip ATOM 0 H ASN A 44 3.916 -4.533 1.710 1.00 0.00 H new ATOM 0 HA ASN A 44 4.868 -7.240 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.699 -4.603 3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.357 -5.995 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.853 -4.082 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.166 -5.235 3.941 1.00 0.00 H new ATOM 705 N LYS A 45 1.860 -6.048 2.836 1.00 0.00 N ATOM 706 CA LYS A 45 0.475 -6.398 3.137 1.00 0.00 C ATOM 707 C LYS A 45 0.353 -7.052 4.510 1.00 0.00 C ATOM 708 O LYS A 45 0.363 -8.277 4.629 1.00 0.00 O ATOM 709 CB LYS A 45 -0.082 -7.333 2.062 1.00 0.00 C ATOM 710 CG LYS A 45 -0.716 -6.603 0.889 1.00 0.00 C ATOM 711 CD LYS A 45 -2.201 -6.367 1.116 1.00 0.00 C ATOM 712 CE LYS A 45 -2.440 -5.281 2.152 1.00 0.00 C ATOM 713 NZ LYS A 45 -2.622 -5.846 3.518 1.00 0.00 N ATOM 0 H LYS A 45 1.986 -5.092 2.503 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.106 -5.476 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.723 -7.968 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.824 -7.991 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.213 -5.647 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.574 -7.184 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.674 -6.084 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.672 -7.294 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.597 -4.590 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.324 -4.705 1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.207 -5.200 4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.637 -5.963 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.149 -6.770 3.577 1.00 0.00 H new ATOM 727 N GLY A 46 0.237 -6.225 5.544 1.00 0.00 N ATOM 728 CA GLY A 46 0.113 -6.738 6.896 1.00 0.00 C ATOM 729 C GLY A 46 1.452 -7.109 7.503 1.00 0.00 C ATOM 730 O GLY A 46 1.855 -8.272 7.472 1.00 0.00 O ATOM 0 H GLY A 46 0.227 -5.208 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.371 -5.988 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.535 -7.615 6.890 1.00 0.00 H new ATOM 734 N GLN A 47 2.140 -6.118 8.060 1.00 0.00 N ATOM 735 CA GLN A 47 3.441 -6.344 8.680 1.00 0.00 C ATOM 736 C GLN A 47 3.724 -5.287 9.743 1.00 0.00 C ATOM 737 O GLN A 47 3.160 -4.193 9.711 1.00 0.00 O ATOM 738 CB GLN A 47 4.545 -6.330 7.620 1.00 0.00 C ATOM 739 CG GLN A 47 5.007 -7.718 7.205 1.00 0.00 C ATOM 740 CD GLN A 47 5.591 -8.507 8.360 1.00 0.00 C ATOM 741 OE1 GLN A 47 6.525 -8.058 9.024 1.00 0.00 O ATOM 742 NE2 GLN A 47 5.042 -9.691 8.604 1.00 0.00 N ATOM 0 H GLN A 47 1.819 -5.151 8.095 1.00 0.00 H new ATOM 0 HA GLN A 47 3.424 -7.322 9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.185 -5.797 6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.399 -5.771 8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.164 -8.267 6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.754 -7.628 6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.269 -10.023 8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.393 -10.268 9.368 1.00 0.00 H new ATOM 751 N LEU A 48 4.599 -5.622 10.685 1.00 0.00 N ATOM 752 CA LEU A 48 4.955 -4.701 11.758 1.00 0.00 C ATOM 753 C LEU A 48 6.001 -3.695 11.290 1.00 0.00 C ATOM 754 O LEU A 48 7.191 -4.003 11.233 1.00 0.00 O ATOM 755 CB LEU A 48 5.479 -5.476 12.970 1.00 0.00 C ATOM 756 CG LEU A 48 4.942 -5.001 14.322 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.794 -5.887 14.780 1.00 0.00 C ATOM 758 CD2 LEU A 48 6.052 -4.984 15.362 1.00 0.00 C ATOM 0 H LEU A 48 5.074 -6.524 10.727 1.00 0.00 H new ATOM 0 HA LEU A 48 4.057 -4.154 12.046 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.227 -6.529 12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.567 -5.408 12.984 1.00 0.00 H new ATOM 0 HG LEU A 48 4.567 -3.984 14.205 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.424 -5.535 15.743 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.989 -5.848 14.046 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.145 -6.914 14.880 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.651 -4.644 16.317 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.458 -5.989 15.477 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.843 -4.307 15.039 1.00 0.00 H new ATOM 770 N CYS A 49 5.549 -2.491 10.957 1.00 0.00 N ATOM 771 CA CYS A 49 6.446 -1.439 10.495 1.00 0.00 C ATOM 772 C CYS A 49 6.104 -0.105 11.150 1.00 0.00 C ATOM 773 O CYS A 49 5.127 0.547 10.782 1.00 0.00 O ATOM 774 CB CYS A 49 6.373 -1.306 8.973 1.00 0.00 C ATOM 775 SG CYS A 49 7.088 -2.703 8.075 1.00 0.00 S ATOM 0 H CYS A 49 4.567 -2.220 10.998 1.00 0.00 H new ATOM 0 HA CYS A 49 7.462 -1.714 10.780 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.330 -1.194 8.678 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.888 -0.393 8.674 1.00 0.00 H new ATOM 0 HG CYS A 49 7.751 -2.264 7.046 1.00 0.00 H new ATOM 781 N LEU A 50 6.918 0.296 12.122 1.00 0.00 N ATOM 782 CA LEU A 50 6.706 1.555 12.831 1.00 0.00 C ATOM 783 C LEU A 50 6.580 2.715 11.848 1.00 0.00 C ATOM 784 O LEU A 50 7.218 2.717 10.795 1.00 0.00 O ATOM 785 CB LEU A 50 7.859 1.830 13.808 1.00 0.00 C ATOM 786 CG LEU A 50 8.408 0.613 14.567 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.317 -0.417 14.827 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.565 -0.012 13.801 1.00 0.00 C ATOM 0 H LEU A 50 7.731 -0.233 12.437 1.00 0.00 H new ATOM 0 HA LEU A 50 5.777 1.467 13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.678 2.285 13.252 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.522 2.566 14.538 1.00 0.00 H new ATOM 0 HG LEU A 50 8.775 0.958 15.534 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.739 -1.266 15.366 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.525 0.035 15.424 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.905 -0.759 13.877 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.943 -0.873 14.352 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.220 -0.333 12.818 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.362 0.722 13.683 1.00 0.00 H new ATOM 800 N ARG A 51 5.756 3.700 12.193 1.00 0.00 N ATOM 801 CA ARG A 51 5.557 4.860 11.331 1.00 0.00 C ATOM 802 C ARG A 51 6.874 5.574 11.077 1.00 0.00 C ATOM 803 O ARG A 51 7.086 6.150 10.010 1.00 0.00 O ATOM 804 CB ARG A 51 4.545 5.825 11.951 1.00 0.00 C ATOM 805 CG ARG A 51 3.995 6.843 10.965 1.00 0.00 C ATOM 806 CD ARG A 51 3.144 7.893 11.661 1.00 0.00 C ATOM 807 NE ARG A 51 1.982 8.274 10.861 1.00 0.00 N ATOM 808 CZ ARG A 51 1.127 9.235 11.204 1.00 0.00 C ATOM 809 NH1 ARG A 51 1.299 9.915 12.331 1.00 0.00 N ATOM 810 NH2 ARG A 51 0.097 9.517 10.418 1.00 0.00 N ATOM 0 H ARG A 51 5.218 3.718 13.059 1.00 0.00 H new ATOM 0 HA ARG A 51 5.164 4.508 10.377 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.717 5.252 12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.018 6.352 12.779 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.820 7.329 10.445 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.398 6.333 10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.810 7.509 12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.751 8.776 11.863 1.00 0.00 H new ATOM 0 HE ARG A 51 1.816 7.774 9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.090 9.702 12.939 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.641 10.650 12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.040 8.998 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.558 10.253 10.681 1.00 0.00 H new ATOM 824 N LYS A 52 7.762 5.518 12.057 1.00 0.00 N ATOM 825 CA LYS A 52 9.068 6.146 11.932 1.00 0.00 C ATOM 826 C LYS A 52 9.887 5.421 10.891 1.00 0.00 C ATOM 827 O LYS A 52 10.252 5.993 9.869 1.00 0.00 O ATOM 828 CB LYS A 52 9.797 6.157 13.277 1.00 0.00 C ATOM 829 CG LYS A 52 11.181 6.783 13.217 1.00 0.00 C ATOM 830 CD LYS A 52 11.936 6.591 14.523 1.00 0.00 C ATOM 831 CE LYS A 52 13.440 6.572 14.300 1.00 0.00 C ATOM 832 NZ LYS A 52 14.168 6.009 15.471 1.00 0.00 N ATOM 0 H LYS A 52 7.603 5.045 12.947 1.00 0.00 H new ATOM 0 HA LYS A 52 8.930 7.180 11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.193 6.701 14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.886 5.133 13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.748 6.338 12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.091 7.847 13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.680 7.394 15.214 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.625 5.657 14.990 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.668 5.981 13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.791 7.586 14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.190 6.013 15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.971 6.587 16.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.852 5.033 15.640 1.00 0.00 H new ATOM 846 N HIS A 53 10.143 4.151 11.142 1.00 0.00 N ATOM 847 CA HIS A 53 10.895 3.328 10.205 1.00 0.00 C ATOM 848 C HIS A 53 10.242 3.384 8.837 1.00 0.00 C ATOM 849 O HIS A 53 10.907 3.235 7.812 1.00 0.00 O ATOM 850 CB HIS A 53 10.977 1.886 10.699 1.00 0.00 C ATOM 851 CG HIS A 53 11.941 1.693 11.828 1.00 0.00 C ATOM 852 ND1 HIS A 53 12.108 2.386 12.979 1.00 0.00 N flip ATOM 853 CD2 HIS A 53 12.881 0.684 11.851 1.00 0.00 C flip ATOM 854 CE1 HIS A 53 13.134 1.788 13.669 1.00 0.00 C flip ATOM 855 NE2 HIS A 53 13.583 0.764 12.967 1.00 0.00 N flip ATOM 0 H HIS A 53 9.843 3.664 11.986 1.00 0.00 H new ATOM 0 HA HIS A 53 11.910 3.717 10.131 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.986 1.564 11.019 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.269 1.242 9.869 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.021 -0.056 11.077 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.512 2.104 14.630 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.343 0.141 13.240 1.00 0.00 H new ATOM 864 N LEU A 54 8.938 3.642 8.824 1.00 0.00 N ATOM 865 CA LEU A 54 8.214 3.765 7.573 1.00 0.00 C ATOM 866 C LEU A 54 8.867 4.850 6.732 1.00 0.00 C ATOM 867 O LEU A 54 8.839 4.807 5.503 1.00 0.00 O ATOM 868 CB LEU A 54 6.741 4.098 7.829 1.00 0.00 C ATOM 869 CG LEU A 54 5.745 3.355 6.933 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.745 2.575 7.773 1.00 0.00 C ATOM 871 CD2 LEU A 54 5.023 4.328 6.012 1.00 0.00 C ATOM 0 H LEU A 54 8.369 3.768 9.661 1.00 0.00 H new ATOM 0 HA LEU A 54 8.251 2.816 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.509 3.873 8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.598 5.170 7.695 1.00 0.00 H new ATOM 0 HG LEU A 54 6.302 2.648 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.047 2.055 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.275 1.848 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.195 3.262 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.320 3.781 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.481 5.061 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.750 4.840 5.382 1.00 0.00 H new ATOM 883 N LEU A 55 9.477 5.815 7.419 1.00 0.00 N ATOM 884 CA LEU A 55 10.165 6.912 6.754 1.00 0.00 C ATOM 885 C LEU A 55 11.264 6.390 5.828 1.00 0.00 C ATOM 886 O LEU A 55 11.714 7.097 4.926 1.00 0.00 O ATOM 887 CB LEU A 55 10.732 7.892 7.799 1.00 0.00 C ATOM 888 CG LEU A 55 12.179 7.658 8.278 1.00 0.00 C ATOM 889 CD1 LEU A 55 12.412 8.375 9.597 1.00 0.00 C ATOM 890 CD2 LEU A 55 12.494 6.176 8.435 1.00 0.00 C ATOM 0 H LEU A 55 9.507 5.856 8.438 1.00 0.00 H new ATOM 0 HA LEU A 55 9.447 7.449 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.673 8.898 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.080 7.868 8.672 1.00 0.00 H new ATOM 0 HG LEU A 55 12.846 8.061 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.436 8.204 9.928 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.247 9.444 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.720 7.992 10.347 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.523 6.057 8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.817 5.736 9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.367 5.674 7.476 1.00 0.00 H new ATOM 902 N GLU A 56 11.692 5.148 6.054 1.00 0.00 N ATOM 903 CA GLU A 56 12.735 4.542 5.237 1.00 0.00 C ATOM 904 C GLU A 56 12.148 3.898 3.984 1.00 0.00 C ATOM 905 O GLU A 56 12.859 3.664 3.007 1.00 0.00 O ATOM 906 CB GLU A 56 13.509 3.503 6.053 1.00 0.00 C ATOM 907 CG GLU A 56 14.960 3.883 6.302 1.00 0.00 C ATOM 908 CD GLU A 56 15.911 3.232 5.317 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.485 2.950 4.178 1.00 0.00 O ATOM 910 OE2 GLU A 56 17.083 3.004 5.686 1.00 0.00 O ATOM 0 H GLU A 56 11.332 4.546 6.794 1.00 0.00 H new ATOM 0 HA GLU A 56 13.420 5.330 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.010 3.361 7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.477 2.546 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.064 4.966 6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.239 3.594 7.315 1.00 0.00 H new ATOM 917 N GLU A 57 10.849 3.617 4.014 1.00 0.00 N ATOM 918 CA GLU A 57 10.178 3.006 2.872 1.00 0.00 C ATOM 919 C GLU A 57 9.637 4.071 1.931 1.00 0.00 C ATOM 920 O GLU A 57 9.482 3.836 0.732 1.00 0.00 O ATOM 921 CB GLU A 57 9.048 2.086 3.338 1.00 0.00 C ATOM 922 CG GLU A 57 9.422 1.218 4.530 1.00 0.00 C ATOM 923 CD GLU A 57 8.300 0.287 4.948 1.00 0.00 C ATOM 924 OE1 GLU A 57 7.124 0.625 4.699 1.00 0.00 O ATOM 925 OE2 GLU A 57 8.599 -0.780 5.524 1.00 0.00 O ATOM 0 H GLU A 57 10.242 3.802 4.813 1.00 0.00 H new ATOM 0 HA GLU A 57 10.911 2.408 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.181 2.693 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.750 1.443 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.305 0.629 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.691 1.858 5.371 1.00 0.00 H new ATOM 932 N ILE A 58 9.375 5.250 2.476 1.00 0.00 N ATOM 933 CA ILE A 58 8.879 6.360 1.679 1.00 0.00 C ATOM 934 C ILE A 58 10.049 7.148 1.109 1.00 0.00 C ATOM 935 O ILE A 58 9.933 7.797 0.071 1.00 0.00 O ATOM 936 CB ILE A 58 7.974 7.306 2.495 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.081 6.506 3.450 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.132 8.165 1.561 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.985 5.727 2.755 1.00 0.00 C ATOM 0 H ILE A 58 9.498 5.462 3.466 1.00 0.00 H new ATOM 0 HA ILE A 58 8.278 5.938 0.873 1.00 0.00 H new ATOM 0 HB ILE A 58 8.606 7.963 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.702 5.813 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.628 7.190 4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.498 8.828 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.787 8.760 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.508 7.523 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.396 5.187 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.339 6.415 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.429 5.017 2.058 1.00 0.00 H new ATOM 951 N LYS A 59 11.185 7.065 1.793 1.00 0.00 N ATOM 952 CA LYS A 59 12.392 7.747 1.358 1.00 0.00 C ATOM 953 C LYS A 59 13.034 6.987 0.203 1.00 0.00 C ATOM 954 O LYS A 59 13.710 7.576 -0.641 1.00 0.00 O ATOM 955 CB LYS A 59 13.378 7.876 2.520 1.00 0.00 C ATOM 956 CG LYS A 59 14.601 8.717 2.192 1.00 0.00 C ATOM 957 CD LYS A 59 15.694 8.539 3.234 1.00 0.00 C ATOM 958 CE LYS A 59 15.340 9.240 4.537 1.00 0.00 C ATOM 959 NZ LYS A 59 15.391 10.724 4.404 1.00 0.00 N ATOM 0 H LYS A 59 11.292 6.529 2.654 1.00 0.00 H new ATOM 0 HA LYS A 59 12.126 8.747 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.864 8.316 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.703 6.880 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.984 8.438 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.317 9.768 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.850 7.477 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.633 8.936 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.341 8.938 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.030 8.922 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.380 11.158 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.263 10.998 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.566 11.053 3.862 1.00 0.00 H new ATOM 973 N ASN A 60 12.808 5.673 0.164 1.00 0.00 N ATOM 974 CA ASN A 60 13.353 4.838 -0.891 1.00 0.00 C ATOM 975 C ASN A 60 12.344 4.678 -2.024 1.00 0.00 C ATOM 976 O ASN A 60 12.204 3.599 -2.599 1.00 0.00 O ATOM 977 CB ASN A 60 13.745 3.466 -0.338 1.00 0.00 C ATOM 978 CG ASN A 60 15.071 3.498 0.395 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.025 2.825 0.006 1.00 0.00 O ATOM 980 ND2 ASN A 60 15.136 4.283 1.464 1.00 0.00 N ATOM 0 H ASN A 60 12.250 5.170 0.854 1.00 0.00 H new ATOM 0 HA ASN A 60 14.245 5.325 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.967 3.114 0.339 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.803 2.750 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.002 4.346 1.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.320 4.824 1.750 1.00 0.00 H new ATOM 987 N HIS A 61 11.639 5.763 -2.336 1.00 0.00 N ATOM 988 CA HIS A 61 10.639 5.752 -3.394 1.00 0.00 C ATOM 989 C HIS A 61 10.165 7.169 -3.701 1.00 0.00 C ATOM 990 O HIS A 61 10.076 7.570 -4.861 1.00 0.00 O ATOM 991 CB HIS A 61 9.448 4.883 -2.988 1.00 0.00 C ATOM 992 CG HIS A 61 8.659 4.367 -4.151 1.00 0.00 C ATOM 993 ND1 HIS A 61 8.945 4.341 -5.475 1.00 0.00 N flip ATOM 994 CD2 HIS A 61 7.411 3.795 -4.020 1.00 0.00 C flip ATOM 995 CE1 HIS A 61 7.875 3.760 -6.111 1.00 0.00 C flip ATOM 996 NE2 HIS A 61 6.964 3.439 -5.211 1.00 0.00 N flip ATOM 0 H HIS A 61 11.745 6.663 -1.868 1.00 0.00 H new ATOM 0 HA HIS A 61 11.096 5.334 -4.291 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.809 4.038 -2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.789 5.463 -2.341 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.796 4.688 -5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.881 3.659 -3.089 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.792 3.593 -7.175 1.00 0.00 H new ATOM 1005 N ALA A 62 9.863 7.923 -2.648 1.00 0.00 N ATOM 1006 CA ALA A 62 9.399 9.297 -2.793 1.00 0.00 C ATOM 1007 C ALA A 62 9.250 9.965 -1.432 1.00 0.00 C ATOM 1008 O ALA A 62 8.243 9.783 -0.748 1.00 0.00 O ATOM 1009 CB ALA A 62 8.077 9.334 -3.548 1.00 0.00 C ATOM 0 H ALA A 62 9.932 7.603 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 62 10.144 9.849 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.744 10.367 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.211 8.899 -4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.328 8.763 -2.999 1.00 0.00 H new ATOM 1015 N LYS A 63 10.261 10.736 -1.042 1.00 0.00 N ATOM 1016 CA LYS A 63 10.243 11.430 0.241 1.00 0.00 C ATOM 1017 C LYS A 63 9.209 12.552 0.238 1.00 0.00 C ATOM 1018 O LYS A 63 9.552 13.729 0.355 1.00 0.00 O ATOM 1019 CB LYS A 63 11.631 11.996 0.555 1.00 0.00 C ATOM 1020 CG LYS A 63 11.696 12.767 1.865 1.00 0.00 C ATOM 1021 CD LYS A 63 12.039 14.231 1.638 1.00 0.00 C ATOM 1022 CE LYS A 63 13.543 14.449 1.586 1.00 0.00 C ATOM 1023 NZ LYS A 63 13.899 15.892 1.681 1.00 0.00 N ATOM 0 H LYS A 63 11.102 10.896 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 63 9.968 10.712 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.348 11.176 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.938 12.653 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.738 12.693 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.443 12.315 2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.588 14.571 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.610 14.835 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.017 13.904 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.937 14.038 0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.933 15.998 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.468 16.409 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.545 16.278 2.579 1.00 0.00 H new ATOM 1092 N ARG A 68 6.031 18.307 3.560 1.00 0.00 N ATOM 1093 CA ARG A 68 7.299 18.426 4.272 1.00 0.00 C ATOM 1094 C ARG A 68 7.672 17.119 4.968 1.00 0.00 C ATOM 1095 O ARG A 68 8.840 16.881 5.274 1.00 0.00 O ATOM 1096 CB ARG A 68 7.228 19.560 5.295 1.00 0.00 C ATOM 1097 CG ARG A 68 6.810 20.894 4.696 1.00 0.00 C ATOM 1098 CD ARG A 68 5.740 21.573 5.536 1.00 0.00 C ATOM 1099 NE ARG A 68 5.471 22.936 5.082 1.00 0.00 N ATOM 1100 CZ ARG A 68 4.574 23.741 5.646 1.00 0.00 C ATOM 1101 NH1 ARG A 68 3.857 23.326 6.683 1.00 0.00 N ATOM 1102 NH2 ARG A 68 4.392 24.966 5.171 1.00 0.00 N ATOM 0 HA ARG A 68 8.073 18.652 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.523 19.287 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.203 19.673 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.680 21.546 4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.435 20.738 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.821 20.989 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.057 21.594 6.579 1.00 0.00 H new ATOM 0 HE ARG A 68 6.002 23.291 4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.992 22.385 7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.171 23.948 7.111 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.939 25.290 4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.705 25.584 5.603 1.00 0.00 H new ATOM 1116 N ASN A 69 6.676 16.276 5.215 1.00 0.00 N ATOM 1117 CA ASN A 69 6.905 14.995 5.876 1.00 0.00 C ATOM 1118 C ASN A 69 5.960 13.926 5.334 1.00 0.00 C ATOM 1119 O ASN A 69 5.102 14.210 4.498 1.00 0.00 O ATOM 1120 CB ASN A 69 6.720 15.137 7.388 1.00 0.00 C ATOM 1121 CG ASN A 69 5.388 15.764 7.752 1.00 0.00 C ATOM 1122 OD1 ASN A 69 4.909 16.670 7.072 1.00 0.00 O ATOM 1123 ND2 ASN A 69 4.782 15.282 8.832 1.00 0.00 N ATOM 0 H ASN A 69 5.703 16.455 4.968 1.00 0.00 H new ATOM 0 HA ASN A 69 7.930 14.686 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.795 14.155 7.854 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.528 15.745 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.883 15.665 9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.216 14.530 9.367 1.00 0.00 H new ATOM 1130 N VAL A 70 6.123 12.695 5.812 1.00 0.00 N ATOM 1131 CA VAL A 70 5.280 11.591 5.367 1.00 0.00 C ATOM 1132 C VAL A 70 4.014 11.483 6.211 1.00 0.00 C ATOM 1133 O VAL A 70 2.993 10.975 5.750 1.00 0.00 O ATOM 1134 CB VAL A 70 6.037 10.243 5.399 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.237 9.755 6.829 1.00 0.00 C ATOM 1136 CG2 VAL A 70 5.299 9.199 4.573 1.00 0.00 C ATOM 0 H VAL A 70 6.827 12.439 6.504 1.00 0.00 H new ATOM 0 HA VAL A 70 5.001 11.809 4.336 1.00 0.00 H new ATOM 0 HB VAL A 70 7.023 10.400 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.772 8.805 6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.816 10.491 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.266 9.619 7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.845 8.256 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.299 9.053 4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.224 9.539 3.540 1.00 0.00 H new ATOM 1146 N ASP A 71 4.091 11.966 7.446 1.00 0.00 N ATOM 1147 CA ASP A 71 2.952 11.927 8.360 1.00 0.00 C ATOM 1148 C ASP A 71 1.717 12.543 7.725 1.00 0.00 C ATOM 1149 O ASP A 71 0.735 11.854 7.449 1.00 0.00 O ATOM 1150 CB ASP A 71 3.291 12.656 9.663 1.00 0.00 C ATOM 1151 CG ASP A 71 2.791 11.913 10.886 1.00 0.00 C ATOM 1152 OD1 ASP A 71 3.450 10.934 11.296 1.00 0.00 O ATOM 1153 OD2 ASP A 71 1.741 12.309 11.433 1.00 0.00 O ATOM 0 H ASP A 71 4.931 12.390 7.839 1.00 0.00 H new ATOM 0 HA ASP A 71 2.736 10.882 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.371 12.783 9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.853 13.654 9.643 1.00 0.00 H new ATOM 1158 N VAL A 72 1.781 13.841 7.489 1.00 0.00 N ATOM 1159 CA VAL A 72 0.672 14.562 6.875 1.00 0.00 C ATOM 1160 C VAL A 72 0.248 13.894 5.574 1.00 0.00 C ATOM 1161 O VAL A 72 -0.901 14.013 5.146 1.00 0.00 O ATOM 1162 CB VAL A 72 1.036 16.033 6.595 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -0.180 16.800 6.097 1.00 0.00 C ATOM 1164 CG2 VAL A 72 1.616 16.689 7.841 1.00 0.00 C ATOM 0 H VAL A 72 2.589 14.422 7.712 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.156 14.537 7.584 1.00 0.00 H new ATOM 0 HB VAL A 72 1.796 16.056 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.097 17.837 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.545 16.345 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.965 16.768 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.867 17.727 7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.882 16.655 8.646 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.516 16.155 8.148 1.00 0.00 H new ATOM 1174 N HIS A 73 1.181 13.181 4.958 1.00 0.00 N ATOM 1175 CA HIS A 73 0.908 12.477 3.715 1.00 0.00 C ATOM 1176 C HIS A 73 0.023 11.264 3.973 1.00 0.00 C ATOM 1177 O HIS A 73 -0.697 10.808 3.085 1.00 0.00 O ATOM 1178 CB HIS A 73 2.216 12.046 3.046 1.00 0.00 C ATOM 1179 CG HIS A 73 2.366 12.551 1.644 1.00 0.00 C ATOM 1180 ND1 HIS A 73 3.542 12.452 0.931 1.00 0.00 N ATOM 1181 CD2 HIS A 73 1.480 13.161 0.822 1.00 0.00 C ATOM 1182 CE1 HIS A 73 3.373 12.980 -0.268 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.131 13.417 -0.360 1.00 0.00 N ATOM 0 H HIS A 73 2.136 13.075 5.301 1.00 0.00 H new ATOM 0 HA HIS A 73 0.381 13.155 3.044 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.055 12.403 3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.270 10.957 3.039 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.453 13.402 1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.124 13.043 -1.042 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.721 13.871 -1.176 1.00 0.00 H new ATOM 1192 N ILE A 74 0.077 10.749 5.197 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.726 9.593 5.572 1.00 0.00 C ATOM 1194 C ILE A 74 -2.201 9.960 5.661 1.00 0.00 C ATOM 1195 O ILE A 74 -3.076 9.127 5.427 1.00 0.00 O ATOM 1196 CB ILE A 74 -0.278 8.999 6.923 1.00 0.00 C ATOM 1197 CG1 ILE A 74 1.244 8.845 6.970 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -0.957 7.659 7.163 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.822 8.125 5.770 1.00 0.00 C ATOM 0 H ILE A 74 0.668 11.114 5.944 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.580 8.845 4.793 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.575 9.686 7.715 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.698 9.833 7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.517 8.302 7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.631 7.252 8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.038 7.796 7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.689 6.967 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.905 8.054 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.397 7.123 5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.581 8.679 4.863 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.468 11.214 6.003 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.837 11.696 6.124 1.00 0.00 C ATOM 1213 C ALA A 75 -4.499 11.799 4.762 1.00 0.00 C ATOM 1214 O ALA A 75 -5.655 11.414 4.587 1.00 0.00 O ATOM 1215 CB ALA A 75 -3.871 13.038 6.839 1.00 0.00 C ATOM 0 H ALA A 75 -1.754 11.915 6.201 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.398 10.975 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.902 13.381 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.446 12.930 7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.289 13.766 6.274 1.00 0.00 H new ATOM 1221 N SER A 76 -3.753 12.305 3.798 1.00 0.00 N ATOM 1222 CA SER A 76 -4.258 12.443 2.441 1.00 0.00 C ATOM 1223 C SER A 76 -4.511 11.072 1.835 1.00 0.00 C ATOM 1224 O SER A 76 -5.330 10.921 0.928 1.00 0.00 O ATOM 1225 CB SER A 76 -3.273 13.232 1.576 1.00 0.00 C ATOM 1226 OG SER A 76 -3.325 14.616 1.876 1.00 0.00 O ATOM 0 H SER A 76 -2.794 12.628 3.928 1.00 0.00 H new ATOM 0 HA SER A 76 -5.199 12.992 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.262 12.859 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.504 13.076 0.522 1.00 0.00 H new ATOM 0 HG SER A 76 -2.685 15.097 1.311 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.812 10.070 2.354 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.970 8.708 1.878 1.00 0.00 C ATOM 1234 C LEU A 77 -5.365 8.205 2.202 1.00 0.00 C ATOM 1235 O LEU A 77 -5.961 7.450 1.436 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.916 7.795 2.508 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.678 7.545 1.645 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -1.993 6.547 0.541 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.161 8.851 1.056 1.00 0.00 C ATOM 0 H LEU A 77 -3.131 10.179 3.105 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.832 8.696 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.598 8.232 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.379 6.836 2.739 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.897 7.124 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.102 6.380 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.313 5.604 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.790 6.941 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.280 8.651 0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.936 9.303 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.896 9.534 1.863 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.883 8.643 3.339 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.218 8.251 3.768 1.00 0.00 C ATOM 1253 C ARG A 78 -8.249 8.620 2.709 1.00 0.00 C ATOM 1254 O ARG A 78 -9.290 7.975 2.587 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.566 8.914 5.104 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.599 7.944 6.274 1.00 0.00 C ATOM 1257 CD ARG A 78 -6.982 8.554 7.523 1.00 0.00 C ATOM 1258 NE ARG A 78 -7.945 9.356 8.274 1.00 0.00 N ATOM 1259 CZ ARG A 78 -7.621 10.125 9.311 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -6.362 10.200 9.723 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -8.560 10.821 9.938 1.00 0.00 N ATOM 0 H ARG A 78 -5.400 9.270 3.982 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.233 7.169 3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.837 9.697 5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.538 9.399 5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.630 7.656 6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.061 7.034 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.596 7.760 8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.133 9.177 7.241 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.923 9.325 7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.636 9.667 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.120 10.791 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.529 10.767 9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.313 11.411 10.733 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.948 9.662 1.943 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.846 10.118 0.888 1.00 0.00 C ATOM 1277 C LYS A 79 -8.536 9.431 -0.433 1.00 0.00 C ATOM 1278 O LYS A 79 -9.422 8.880 -1.087 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.755 11.637 0.729 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.011 12.370 1.173 1.00 0.00 C ATOM 1281 CD LYS A 79 -9.939 13.850 0.837 1.00 0.00 C ATOM 1282 CE LYS A 79 -11.298 14.394 0.425 1.00 0.00 C ATOM 1283 NZ LYS A 79 -11.424 15.852 0.704 1.00 0.00 N ATOM 0 H LYS A 79 -7.090 10.207 2.032 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.863 9.854 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.906 12.004 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.556 11.874 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.882 11.928 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.146 12.246 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.571 14.403 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.223 14.007 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.453 14.214 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.081 13.854 0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.365 16.182 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.302 16.022 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.693 16.371 0.176 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.274 9.473 -0.816 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.828 8.860 -2.060 1.00 0.00 C ATOM 1299 C LYS A 80 -7.006 7.351 -2.015 1.00 0.00 C ATOM 1300 O LYS A 80 -7.714 6.767 -2.835 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.362 9.207 -2.328 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.168 10.576 -2.959 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.589 11.690 -2.015 1.00 0.00 C ATOM 1304 CE LYS A 80 -5.483 13.053 -2.679 1.00 0.00 C ATOM 1305 NZ LYS A 80 -6.520 13.997 -2.178 1.00 0.00 N ATOM 0 H LYS A 80 -6.533 9.927 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.440 9.255 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.810 9.167 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.932 8.450 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.121 10.706 -3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.749 10.639 -3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.615 11.522 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.962 11.669 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.493 13.470 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.586 12.940 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.414 14.915 -2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.465 13.611 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.406 14.125 -1.152 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.356 6.734 -1.047 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.424 5.288 -0.869 1.00 0.00 C ATOM 1321 C LEU A 81 -7.859 4.837 -0.611 1.00 0.00 C ATOM 1322 O LEU A 81 -8.480 4.197 -1.460 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.521 4.854 0.291 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.427 3.343 0.532 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -5.477 2.571 -0.778 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.153 3.014 1.296 1.00 0.00 C ATOM 0 H LEU A 81 -5.769 7.213 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.076 4.816 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.517 5.237 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.882 5.327 1.204 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.287 3.040 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.408 1.503 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.416 2.783 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.643 2.874 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.096 1.938 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.288 3.338 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.161 3.529 2.256 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.381 5.176 0.564 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.741 4.799 0.908 1.00 0.00 C ATOM 1340 C GLY A 82 -9.805 3.872 2.106 1.00 0.00 C ATOM 1341 O GLY A 82 -9.243 4.168 3.160 1.00 0.00 O ATOM 0 H GLY A 82 -7.887 5.704 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.321 5.698 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.207 4.312 0.051 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.496 2.747 1.944 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.637 1.773 3.020 1.00 0.00 C ATOM 1347 C ALA A 83 -9.291 1.165 3.410 1.00 0.00 C ATOM 1348 O ALA A 83 -9.161 0.558 4.473 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.613 0.679 2.613 1.00 0.00 C ATOM 0 H ALA A 83 -10.967 2.488 1.077 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.028 2.296 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.710 -0.042 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.587 1.120 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.242 0.174 1.721 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.292 1.333 2.549 1.00 0.00 N ATOM 1356 CA TYR A 84 -6.961 0.802 2.813 1.00 0.00 C ATOM 1357 C TYR A 84 -6.140 1.791 3.634 1.00 0.00 C ATOM 1358 O TYR A 84 -5.258 1.396 4.397 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.243 0.481 1.499 1.00 0.00 C ATOM 1360 CG TYR A 84 -6.200 -0.996 1.174 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -7.276 -1.825 1.465 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -5.081 -1.561 0.575 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -7.238 -3.174 1.168 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -5.036 -2.910 0.274 1.00 0.00 C ATOM 1365 CZ TYR A 84 -6.117 -3.711 0.573 1.00 0.00 C ATOM 1366 OH TYR A 84 -6.076 -5.054 0.275 1.00 0.00 O ATOM 0 H TYR A 84 -8.380 1.832 1.664 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.068 -0.118 3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.740 1.009 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.223 0.863 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.157 -1.408 1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.232 -0.936 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.083 -3.805 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.159 -3.333 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.216 -5.270 -0.142 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.439 3.079 3.482 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.721 4.096 4.227 1.00 0.00 C ATOM 1378 C GLY A 85 -5.794 3.856 5.720 1.00 0.00 C ATOM 1379 O GLY A 85 -4.831 4.100 6.446 1.00 0.00 O ATOM 0 H GLY A 85 -7.163 3.434 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.678 4.109 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.136 5.077 3.996 1.00 0.00 H new ATOM 1383 N SER A 86 -6.942 3.364 6.173 1.00 0.00 N ATOM 1384 CA SER A 86 -7.143 3.073 7.584 1.00 0.00 C ATOM 1385 C SER A 86 -6.330 1.851 8.004 1.00 0.00 C ATOM 1386 O SER A 86 -6.155 1.591 9.194 1.00 0.00 O ATOM 1387 CB SER A 86 -8.628 2.838 7.872 1.00 0.00 C ATOM 1388 OG SER A 86 -9.338 2.540 6.682 1.00 0.00 O ATOM 0 H SER A 86 -7.747 3.159 5.581 1.00 0.00 H new ATOM 0 HA SER A 86 -6.802 3.932 8.162 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.739 2.017 8.580 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.055 3.724 8.342 1.00 0.00 H new ATOM 0 HG SER A 86 -8.929 1.765 6.242 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.831 1.101 7.019 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.035 -0.091 7.296 1.00 0.00 C ATOM 1396 C ARG A 87 -3.889 0.231 8.251 1.00 0.00 C ATOM 1397 O ARG A 87 -3.597 -0.539 9.165 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.483 -0.679 5.996 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.000 -2.114 6.132 1.00 0.00 C ATOM 1400 CD ARG A 87 -3.889 -2.799 4.779 1.00 0.00 C ATOM 1401 NE ARG A 87 -4.722 -3.998 4.700 1.00 0.00 N ATOM 1402 CZ ARG A 87 -6.005 -3.991 4.343 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -6.614 -2.851 4.041 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -6.683 -5.129 4.290 1.00 0.00 N ATOM 0 H ARG A 87 -5.965 1.299 6.027 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.684 -0.828 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.258 -0.637 5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.657 -0.058 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.029 -2.126 6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.689 -2.671 6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.183 -2.101 3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.849 -3.068 4.593 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.294 -4.894 4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.099 -1.971 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.597 -2.854 3.769 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.222 -6.009 4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.666 -5.125 4.017 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.251 1.379 8.039 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.144 1.805 8.890 1.00 0.00 C ATOM 1420 C ILE A 88 -2.609 1.946 10.336 1.00 0.00 C ATOM 1421 O ILE A 88 -3.269 2.922 10.693 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.545 3.146 8.414 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.218 3.084 6.921 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.299 3.490 9.218 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -0.621 4.365 6.379 1.00 0.00 C ATOM 0 H ILE A 88 -3.481 2.029 7.287 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.371 1.039 8.825 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.285 3.930 8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.521 2.265 6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.128 2.854 6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.109 4.438 8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.559 3.574 10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.446 2.705 9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.414 4.249 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.325 5.184 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.307 4.586 6.907 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.274 0.959 11.163 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.674 0.971 12.565 1.00 0.00 C ATOM 1439 C VAL A 89 -1.581 1.552 13.453 1.00 0.00 C ATOM 1440 O VAL A 89 -0.406 1.564 13.086 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.021 -0.449 13.055 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.542 -0.416 14.483 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.036 -1.098 12.126 1.00 0.00 C ATOM 0 H VAL A 89 -1.728 0.143 10.886 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.559 1.603 12.635 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.110 -1.048 13.043 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.780 -1.429 14.807 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.780 0.005 15.139 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.440 0.200 14.528 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.270 -2.100 12.486 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.946 -0.498 12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.620 -1.162 11.120 1.00 0.00 H new ATOM 1453 N THR A 90 -1.980 2.030 14.627 1.00 0.00 N ATOM 1454 CA THR A 90 -1.044 2.611 15.581 1.00 0.00 C ATOM 1455 C THR A 90 -1.118 1.878 16.916 1.00 0.00 C ATOM 1456 O THR A 90 -1.869 2.269 17.810 1.00 0.00 O ATOM 1457 CB THR A 90 -1.344 4.097 15.781 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.569 4.735 14.536 1.00 0.00 O ATOM 1459 CG2 THR A 90 -0.230 4.843 16.483 1.00 0.00 C ATOM 0 H THR A 90 -2.950 2.026 14.941 1.00 0.00 H new ATOM 0 HA THR A 90 -0.035 2.506 15.181 1.00 0.00 H new ATOM 0 HB THR A 90 -2.234 4.130 16.409 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.713 4.868 14.077 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.507 5.891 16.593 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.064 4.406 17.468 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.685 4.769 15.895 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.340 0.808 17.040 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.321 0.012 18.262 1.00 0.00 C ATOM 1469 C LEU A 91 0.332 0.777 19.408 1.00 0.00 C ATOM 1470 O LEU A 91 1.461 1.253 19.288 1.00 0.00 O ATOM 1471 CB LEU A 91 0.424 -1.304 18.022 1.00 0.00 C ATOM 1472 CG LEU A 91 -0.467 -2.506 17.701 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.303 -2.888 18.912 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.360 -2.206 16.506 1.00 0.00 C ATOM 0 H LEU A 91 0.286 0.472 16.309 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.353 -0.203 18.540 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.125 -1.162 17.200 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.015 -1.536 18.908 1.00 0.00 H new ATOM 0 HG LEU A 91 0.173 -3.350 17.446 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.930 -3.745 18.665 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.645 -3.147 19.741 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.934 -2.047 19.199 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.986 -3.072 16.293 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.993 -1.348 16.731 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.742 -1.983 15.637 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.384 0.883 20.523 1.00 0.00 N ATOM 1487 CA ARG A 92 0.127 1.582 21.695 1.00 0.00 C ATOM 1488 C ARG A 92 1.165 0.726 22.413 1.00 0.00 C ATOM 1489 O ARG A 92 0.923 0.223 23.511 1.00 0.00 O ATOM 1490 CB ARG A 92 -1.019 1.931 22.647 1.00 0.00 C ATOM 1491 CG ARG A 92 -0.657 2.992 23.676 1.00 0.00 C ATOM 1492 CD ARG A 92 -0.661 2.431 25.090 1.00 0.00 C ATOM 1493 NE ARG A 92 -1.362 3.308 26.025 1.00 0.00 N ATOM 1494 CZ ARG A 92 -2.688 3.388 26.115 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -3.459 2.647 25.329 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -3.244 4.212 26.993 1.00 0.00 N ATOM 0 H ARG A 92 -1.320 0.494 20.639 1.00 0.00 H new ATOM 0 HA ARG A 92 0.603 2.506 21.367 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.871 2.279 22.063 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.336 1.027 23.166 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.329 3.398 23.449 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.365 3.818 23.611 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.135 1.449 25.089 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.366 2.289 25.427 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.803 3.893 26.645 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.036 2.012 24.652 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.474 2.712 25.402 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.656 4.784 27.599 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.260 4.274 27.062 1.00 0.00 H new ATOM 1510 N GLY A 93 2.321 0.561 21.779 1.00 0.00 N ATOM 1511 CA GLY A 93 3.382 -0.238 22.360 1.00 0.00 C ATOM 1512 C GLY A 93 4.173 -0.989 21.307 1.00 0.00 C ATOM 1513 O GLY A 93 5.361 -1.259 21.486 1.00 0.00 O ATOM 0 H GLY A 93 2.542 0.968 20.870 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.054 0.408 22.925 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.954 -0.949 23.067 1.00 0.00 H new ATOM 1517 N VAL A 94 3.513 -1.322 20.202 1.00 0.00 N ATOM 1518 CA VAL A 94 4.160 -2.041 19.111 1.00 0.00 C ATOM 1519 C VAL A 94 4.697 -1.069 18.067 1.00 0.00 C ATOM 1520 O VAL A 94 5.844 -1.177 17.634 1.00 0.00 O ATOM 1521 CB VAL A 94 3.196 -3.026 18.417 1.00 0.00 C ATOM 1522 CG1 VAL A 94 3.977 -4.081 17.647 1.00 0.00 C ATOM 1523 CG2 VAL A 94 2.261 -3.679 19.426 1.00 0.00 C ATOM 0 H VAL A 94 2.530 -1.105 20.039 1.00 0.00 H new ATOM 0 HA VAL A 94 4.981 -2.605 19.554 1.00 0.00 H new ATOM 0 HB VAL A 94 2.586 -2.463 17.711 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.282 -4.768 17.164 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.594 -3.597 16.890 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.615 -4.635 18.335 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.593 -4.368 18.910 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.847 -4.226 20.164 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.673 -2.910 19.927 1.00 0.00 H new ATOM 1533 N GLY A 95 3.857 -0.120 17.669 1.00 0.00 N ATOM 1534 CA GLY A 95 4.257 0.860 16.678 1.00 0.00 C ATOM 1535 C GLY A 95 3.212 1.050 15.599 1.00 0.00 C ATOM 1536 O GLY A 95 2.118 1.547 15.866 1.00 0.00 O ATOM 0 H GLY A 95 2.904 -0.012 18.016 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.445 1.814 17.170 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.195 0.547 16.220 1.00 0.00 H new ATOM 1540 N TYR A 96 3.547 0.654 14.377 1.00 0.00 N ATOM 1541 CA TYR A 96 2.627 0.783 13.255 1.00 0.00 C ATOM 1542 C TYR A 96 2.390 -0.568 12.590 1.00 0.00 C ATOM 1543 O TYR A 96 3.283 -1.120 11.946 1.00 0.00 O ATOM 1544 CB TYR A 96 3.171 1.788 12.237 1.00 0.00 C ATOM 1545 CG TYR A 96 2.448 3.117 12.257 1.00 0.00 C ATOM 1546 CD1 TYR A 96 2.083 3.710 13.459 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.130 3.777 11.076 1.00 0.00 C ATOM 1548 CE1 TYR A 96 1.423 4.923 13.485 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.470 4.991 11.094 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.118 5.560 12.300 1.00 0.00 C ATOM 1551 OH TYR A 96 0.459 6.767 12.321 1.00 0.00 O ATOM 0 H TYR A 96 4.449 0.241 14.138 1.00 0.00 H new ATOM 0 HA TYR A 96 1.673 1.148 13.635 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.230 1.956 12.434 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.097 1.358 11.238 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.319 3.214 14.389 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.403 3.334 10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.147 5.371 14.428 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.231 5.492 10.168 1.00 0.00 H new ATOM 0 HH TYR A 96 0.691 7.252 13.141 1.00 0.00 H new ATOM 1561 N LEU A 97 1.182 -1.097 12.754 1.00 0.00 N ATOM 1562 CA LEU A 97 0.826 -2.386 12.172 1.00 0.00 C ATOM 1563 C LEU A 97 -0.237 -2.220 11.092 1.00 0.00 C ATOM 1564 O LEU A 97 -1.433 -2.321 11.362 1.00 0.00 O ATOM 1565 CB LEU A 97 0.325 -3.341 13.262 1.00 0.00 C ATOM 1566 CG LEU A 97 0.054 -4.785 12.816 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -1.430 -4.994 12.554 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.869 -5.142 11.579 1.00 0.00 C ATOM 0 H LEU A 97 0.433 -0.653 13.285 1.00 0.00 H new ATOM 0 HA LEU A 97 1.719 -2.810 11.712 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.061 -3.362 14.066 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.594 -2.932 13.682 1.00 0.00 H new ATOM 0 HG LEU A 97 0.362 -5.448 13.624 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.602 -6.023 12.239 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.992 -4.795 13.466 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.760 -4.314 11.769 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.656 -6.170 11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.604 -4.471 10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.931 -5.041 11.801 1.00 0.00 H new ATOM 1580 N PHE A 98 0.208 -1.966 9.867 1.00 0.00 N ATOM 1581 CA PHE A 98 -0.705 -1.786 8.745 1.00 0.00 C ATOM 1582 C PHE A 98 -1.353 -3.113 8.355 1.00 0.00 C ATOM 1583 O PHE A 98 -0.849 -3.834 7.498 1.00 0.00 O ATOM 1584 CB PHE A 98 0.029 -1.177 7.542 1.00 0.00 C ATOM 1585 CG PHE A 98 1.180 -2.004 7.035 1.00 0.00 C ATOM 1586 CD1 PHE A 98 2.422 -1.940 7.648 1.00 0.00 C ATOM 1587 CD2 PHE A 98 1.021 -2.840 5.941 1.00 0.00 C ATOM 1588 CE1 PHE A 98 3.481 -2.696 7.180 1.00 0.00 C ATOM 1589 CE2 PHE A 98 2.076 -3.599 5.471 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.307 -3.526 6.091 1.00 0.00 C ATOM 0 H PHE A 98 1.195 -1.880 9.626 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.491 -1.098 9.056 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.685 -1.033 6.731 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.400 -0.190 7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.564 -1.292 8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.061 -2.899 5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.444 -2.637 7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.937 -4.249 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.133 -4.118 5.725 1.00 0.00 H new ATOM 1600 N SER A 99 -2.472 -3.433 8.998 1.00 0.00 N ATOM 1601 CA SER A 99 -3.179 -4.678 8.717 1.00 0.00 C ATOM 1602 C SER A 99 -4.684 -4.519 8.917 1.00 0.00 C ATOM 1603 O SER A 99 -5.134 -3.997 9.937 1.00 0.00 O ATOM 1604 CB SER A 99 -2.650 -5.799 9.614 1.00 0.00 C ATOM 1605 OG SER A 99 -2.510 -7.008 8.890 1.00 0.00 O ATOM 0 H SER A 99 -2.907 -2.851 9.714 1.00 0.00 H new ATOM 0 HA SER A 99 -3.000 -4.936 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.687 -5.509 10.034 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.330 -5.950 10.452 1.00 0.00 H new ATOM 0 HG SER A 99 -2.169 -7.708 9.485 1.00 0.00 H new