USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 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 Single : A 9 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -143:sc= -1.09 (180deg=-3.85!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.14 F(o=-2!,f=-1.1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -165:sc= -4.83! USER MOD Single : A 41 SER OG : rot 38:sc= 0.153 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -179:sc= 1.34 USER MOD Single : A 51 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -50:sc= 0.14 USER MOD Single : A 65 MET CE :methyl 138:sc= -1 (180deg=-4.25!) USER MOD Single : A 67 MET CE :methyl -158:sc= -0.188 (180deg=-1.16) USER MOD Single : A 70 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 100 TYR OH : rot 100:sc= -0.452 USER MOD Single : A 101 THR OG1 : rot -132:sc= 0.537! USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -8.146 -0.453 9.029 1.00 0.00 N ATOM 67 CA LEU A 8 -7.125 -0.305 8.006 1.00 0.00 C ATOM 68 C LEU A 8 -5.836 0.213 8.648 1.00 0.00 C ATOM 69 O LEU A 8 -4.744 -0.026 8.136 1.00 0.00 O ATOM 70 CB LEU A 8 -7.636 0.571 6.861 1.00 0.00 C ATOM 71 CG LEU A 8 -8.794 -0.005 6.041 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.234 0.975 4.952 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.431 -1.375 5.467 1.00 0.00 C ATOM 0 HA LEU A 8 -6.893 -1.271 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.951 1.529 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.805 0.774 6.186 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.645 -0.151 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.057 0.542 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.561 1.907 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.397 1.175 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.271 -1.761 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.559 -1.279 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.204 -2.062 6.282 1.00 0.00 H new ATOM 85 N HIS A 9 -6.007 0.912 9.760 1.00 0.00 N ATOM 86 CA HIS A 9 -4.872 1.466 10.478 1.00 0.00 C ATOM 87 C HIS A 9 -3.941 0.335 10.918 1.00 0.00 C ATOM 88 O HIS A 9 -2.728 0.415 10.732 1.00 0.00 O ATOM 89 CB HIS A 9 -5.339 2.338 11.645 1.00 0.00 C ATOM 90 CG HIS A 9 -4.362 3.423 12.031 1.00 0.00 C ATOM 91 ND1 HIS A 9 -3.919 3.605 13.330 1.00 0.00 N ATOM 92 CD2 HIS A 9 -3.748 4.379 11.277 1.00 0.00 C ATOM 93 CE1 HIS A 9 -3.077 4.628 13.345 1.00 0.00 C ATOM 94 NE2 HIS A 9 -2.973 5.106 12.072 1.00 0.00 N ATOM 0 H HIS A 9 -6.915 1.108 10.182 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.304 2.121 9.817 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.292 2.798 11.383 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.520 1.701 12.511 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.871 4.520 10.213 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.563 5.015 14.213 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.394 5.893 11.779 1.00 0.00 H new ATOM 102 N ARG A 10 -4.545 -0.694 11.494 1.00 0.00 N ATOM 103 CA ARG A 10 -3.786 -1.841 11.963 1.00 0.00 C ATOM 104 C ARG A 10 -3.085 -2.530 10.790 1.00 0.00 C ATOM 105 O ARG A 10 -2.091 -3.228 10.979 1.00 0.00 O ATOM 106 CB ARG A 10 -4.693 -2.851 12.670 1.00 0.00 C ATOM 107 CG ARG A 10 -5.527 -3.640 11.659 1.00 0.00 C ATOM 108 CD ARG A 10 -5.055 -5.093 11.574 1.00 0.00 C ATOM 109 NE ARG A 10 -6.148 -6.005 11.979 1.00 0.00 N ATOM 110 CZ ARG A 10 -5.956 -7.238 12.467 1.00 0.00 C ATOM 111 NH1 ARG A 10 -4.712 -7.714 12.613 1.00 0.00 N ATOM 112 NH2 ARG A 10 -7.008 -7.995 12.808 1.00 0.00 N ATOM 0 H ARG A 10 -5.552 -0.757 11.647 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.043 -1.478 12.673 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.087 -3.537 13.262 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.353 -2.330 13.363 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.578 -3.611 11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.453 -3.172 10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.737 -5.322 10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.189 -5.241 12.219 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.108 -5.674 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.912 -7.138 12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.565 -8.653 12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.955 -7.633 12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.862 -8.934 13.179 1.00 0.00 H new ATOM 126 N ILE A 11 -3.632 -2.308 9.603 1.00 0.00 N ATOM 127 CA ILE A 11 -3.072 -2.898 8.399 1.00 0.00 C ATOM 128 C ILE A 11 -1.838 -2.101 7.972 1.00 0.00 C ATOM 129 O ILE A 11 -0.819 -2.681 7.599 1.00 0.00 O ATOM 130 CB ILE A 11 -4.140 -3.007 7.309 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.315 -3.869 7.778 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.538 -3.523 6.001 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.446 -3.861 6.747 1.00 0.00 C ATOM 0 H ILE A 11 -4.457 -1.728 9.450 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.742 -3.918 8.593 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.530 -2.009 7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.977 -4.892 7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.686 -3.496 8.733 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.318 -3.591 5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.762 -2.837 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.104 -4.509 6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.268 -4.481 7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.798 -2.840 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.078 -4.257 5.800 1.00 0.00 H new ATOM 145 N VAL A 12 -1.969 -0.785 8.042 1.00 0.00 N ATOM 146 CA VAL A 12 -0.877 0.097 7.668 1.00 0.00 C ATOM 147 C VAL A 12 0.304 -0.131 8.613 1.00 0.00 C ATOM 148 O VAL A 12 1.438 -0.298 8.167 1.00 0.00 O ATOM 149 CB VAL A 12 -1.359 1.549 7.652 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.190 2.513 7.435 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.444 1.756 6.593 1.00 0.00 C ATOM 0 H VAL A 12 -2.815 -0.308 8.352 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.533 -0.128 6.658 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.796 1.767 8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.560 3.538 7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.534 2.394 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.290 2.294 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.769 2.796 6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.044 1.510 5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.294 1.109 6.811 1.00 0.00 H new ATOM 161 N ASP A 13 -0.002 -0.130 9.902 1.00 0.00 N ATOM 162 CA ASP A 13 1.020 -0.334 10.914 1.00 0.00 C ATOM 163 C ASP A 13 1.839 -1.577 10.562 1.00 0.00 C ATOM 164 O ASP A 13 3.063 -1.575 10.687 1.00 0.00 O ATOM 165 CB ASP A 13 0.394 -0.556 12.293 1.00 0.00 C ATOM 166 CG ASP A 13 0.002 0.722 13.038 1.00 0.00 C ATOM 167 OD1 ASP A 13 0.823 1.664 13.019 1.00 0.00 O ATOM 168 OD2 ASP A 13 -1.110 0.727 13.609 1.00 0.00 O ATOM 0 H ASP A 13 -0.944 0.009 10.269 1.00 0.00 H new ATOM 0 HA ASP A 13 1.649 0.556 10.942 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.494 -1.178 12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.097 -1.117 12.909 1.00 0.00 H new ATOM 173 N LYS A 14 1.131 -2.610 10.129 1.00 0.00 N ATOM 174 CA LYS A 14 1.777 -3.857 9.757 1.00 0.00 C ATOM 175 C LYS A 14 2.694 -3.614 8.557 1.00 0.00 C ATOM 176 O LYS A 14 3.857 -4.014 8.568 1.00 0.00 O ATOM 177 CB LYS A 14 0.734 -4.952 9.523 1.00 0.00 C ATOM 178 CG LYS A 14 1.023 -6.179 10.390 1.00 0.00 C ATOM 179 CD LYS A 14 -0.268 -6.745 10.986 1.00 0.00 C ATOM 180 CE LYS A 14 0.018 -7.533 12.266 1.00 0.00 C ATOM 181 NZ LYS A 14 -1.245 -7.996 12.882 1.00 0.00 N ATOM 0 H LYS A 14 0.116 -2.609 10.028 1.00 0.00 H new ATOM 0 HA LYS A 14 2.406 -4.217 10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.260 -4.567 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.731 -5.238 8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.517 -6.944 9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.710 -5.909 11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.960 -5.931 11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.756 -7.393 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.654 -8.389 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.565 -6.907 12.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.033 -8.529 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.838 -7.175 13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.753 -8.610 12.214 1.00 0.00 H new ATOM 195 N MET A 15 2.135 -2.959 7.549 1.00 0.00 N ATOM 196 CA MET A 15 2.888 -2.658 6.344 1.00 0.00 C ATOM 197 C MET A 15 4.129 -1.823 6.666 1.00 0.00 C ATOM 198 O MET A 15 5.177 -1.998 6.047 1.00 0.00 O ATOM 199 CB MET A 15 1.997 -1.892 5.363 1.00 0.00 C ATOM 200 CG MET A 15 0.679 -2.632 5.127 1.00 0.00 C ATOM 201 SD MET A 15 0.685 -3.387 3.510 1.00 0.00 S ATOM 202 CE MET A 15 -0.016 -2.059 2.545 1.00 0.00 C ATOM 0 H MET A 15 1.170 -2.629 7.543 1.00 0.00 H new ATOM 0 HA MET A 15 3.212 -3.598 5.897 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.793 -0.895 5.753 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.520 -1.763 4.416 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.538 -3.395 5.893 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.157 -1.938 5.210 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.666 -2.473 1.774 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.596 -1.404 3.195 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.785 -1.488 2.075 1.00 0.00 H new ATOM 212 N HIS A 16 3.969 -0.933 7.635 1.00 0.00 N ATOM 213 CA HIS A 16 5.063 -0.071 8.047 1.00 0.00 C ATOM 214 C HIS A 16 6.250 -0.926 8.495 1.00 0.00 C ATOM 215 O HIS A 16 7.401 -0.513 8.366 1.00 0.00 O ATOM 216 CB HIS A 16 4.602 0.914 9.123 1.00 0.00 C ATOM 217 CG HIS A 16 4.042 2.205 8.575 1.00 0.00 C ATOM 218 ND1 HIS A 16 2.851 2.830 8.806 1.00 0.00 N flip ATOM 219 CD2 HIS A 16 4.732 3.000 7.677 1.00 0.00 C flip ATOM 220 CE1 HIS A 16 2.817 3.946 8.089 1.00 0.00 C flip ATOM 221 NE2 HIS A 16 3.982 4.054 7.388 1.00 0.00 N flip ATOM 0 H HIS A 16 3.098 -0.791 8.146 1.00 0.00 H new ATOM 0 HA HIS A 16 5.394 0.532 7.202 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.842 0.433 9.740 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.444 1.143 9.776 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.715 2.796 7.279 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.001 4.653 8.065 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.232 4.812 6.753 1.00 0.00 H new ATOM 229 N ASP A 17 5.928 -2.102 9.013 1.00 0.00 N ATOM 230 CA ASP A 17 6.954 -3.019 9.481 1.00 0.00 C ATOM 231 C ASP A 17 7.593 -3.719 8.280 1.00 0.00 C ATOM 232 O ASP A 17 7.108 -3.597 7.156 1.00 0.00 O ATOM 233 CB ASP A 17 6.357 -4.094 10.392 1.00 0.00 C ATOM 234 CG ASP A 17 7.307 -4.634 11.463 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.300 -5.282 11.066 1.00 0.00 O ATOM 236 OD2 ASP A 17 7.020 -4.387 12.654 1.00 0.00 O ATOM 0 H ASP A 17 4.972 -2.441 9.119 1.00 0.00 H new ATOM 0 HA ASP A 17 7.693 -2.443 10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.475 -3.684 10.884 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.019 -4.926 9.774 1.00 0.00 H new ATOM 241 N THR A 18 8.671 -4.437 8.559 1.00 0.00 N ATOM 242 CA THR A 18 9.381 -5.157 7.515 1.00 0.00 C ATOM 243 C THR A 18 9.365 -6.660 7.798 1.00 0.00 C ATOM 244 O THR A 18 9.176 -7.465 6.887 1.00 0.00 O ATOM 245 CB THR A 18 10.791 -4.573 7.414 1.00 0.00 C ATOM 246 OG1 THR A 18 11.347 -5.204 6.264 1.00 0.00 O ATOM 247 CG2 THR A 18 11.696 -5.026 8.562 1.00 0.00 C ATOM 0 H THR A 18 9.070 -4.536 9.493 1.00 0.00 H new ATOM 0 HA THR A 18 8.893 -5.035 6.548 1.00 0.00 H new ATOM 0 HB THR A 18 10.733 -3.485 7.405 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.262 -4.881 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.685 -4.583 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.267 -4.705 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.781 -6.113 8.551 1.00 0.00 H new ATOM 255 N SER A 19 9.565 -6.994 9.065 1.00 0.00 N ATOM 256 CA SER A 19 9.575 -8.386 9.479 1.00 0.00 C ATOM 257 C SER A 19 8.238 -9.045 9.135 1.00 0.00 C ATOM 258 O SER A 19 8.198 -10.032 8.402 1.00 0.00 O ATOM 259 CB SER A 19 9.860 -8.513 10.977 1.00 0.00 C ATOM 260 OG SER A 19 11.251 -8.663 11.245 1.00 0.00 O ATOM 0 H SER A 19 9.721 -6.324 9.818 1.00 0.00 H new ATOM 0 HA SER A 19 10.373 -8.897 8.940 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.485 -7.630 11.494 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.319 -9.370 11.377 1.00 0.00 H new ATOM 0 HG SER A 19 11.392 -8.739 12.212 1.00 0.00 H new ATOM 266 N THR A 20 7.175 -8.472 9.681 1.00 0.00 N ATOM 267 CA THR A 20 5.839 -8.992 9.441 1.00 0.00 C ATOM 268 C THR A 20 5.119 -8.146 8.389 1.00 0.00 C ATOM 269 O THR A 20 4.151 -8.598 7.781 1.00 0.00 O ATOM 270 CB THR A 20 5.106 -9.046 10.783 1.00 0.00 C ATOM 271 OG1 THR A 20 4.753 -7.690 11.042 1.00 0.00 O ATOM 272 CG2 THR A 20 6.032 -9.418 11.942 1.00 0.00 C ATOM 0 H THR A 20 7.212 -7.653 10.288 1.00 0.00 H new ATOM 0 HA THR A 20 5.874 -10.002 9.032 1.00 0.00 H new ATOM 0 HB THR A 20 4.293 -9.769 10.722 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.272 -7.634 11.894 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.461 -9.442 12.870 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.468 -10.400 11.759 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.828 -8.677 12.024 1.00 0.00 H new ATOM 280 N GLY A 21 5.620 -6.933 8.207 1.00 0.00 N ATOM 281 CA GLY A 21 5.037 -6.020 7.239 1.00 0.00 C ATOM 282 C GLY A 21 5.351 -6.463 5.809 1.00 0.00 C ATOM 283 O GLY A 21 5.907 -7.540 5.597 1.00 0.00 O ATOM 0 H GLY A 21 6.423 -6.561 8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.957 -5.975 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.422 -5.014 7.405 1.00 0.00 H new ATOM 287 N ILE A 22 4.982 -5.610 4.865 1.00 0.00 N ATOM 288 CA ILE A 22 5.218 -5.900 3.461 1.00 0.00 C ATOM 289 C ILE A 22 6.723 -5.889 3.187 1.00 0.00 C ATOM 290 O ILE A 22 7.522 -5.681 4.100 1.00 0.00 O ATOM 291 CB ILE A 22 4.425 -4.938 2.574 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.190 -5.538 1.186 1.00 0.00 C ATOM 293 CG2 ILE A 22 5.110 -3.571 2.499 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.730 -5.373 0.759 1.00 0.00 C ATOM 0 H ILE A 22 4.521 -4.718 5.045 1.00 0.00 H new ATOM 0 HA ILE A 22 4.856 -6.898 3.213 1.00 0.00 H new ATOM 0 HB ILE A 22 3.446 -4.784 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.842 -5.052 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.453 -6.596 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.526 -2.906 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.182 -3.145 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.110 -3.688 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.589 -5.807 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.082 -5.881 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.477 -4.313 0.729 1.00 0.00 H new ATOM 306 N ARG A 23 7.066 -6.116 1.928 1.00 0.00 N ATOM 307 CA ARG A 23 8.461 -6.135 1.523 1.00 0.00 C ATOM 308 C ARG A 23 8.603 -5.638 0.083 1.00 0.00 C ATOM 309 O ARG A 23 8.521 -6.423 -0.860 1.00 0.00 O ATOM 310 CB ARG A 23 9.046 -7.545 1.628 1.00 0.00 C ATOM 311 CG ARG A 23 9.006 -8.049 3.072 1.00 0.00 C ATOM 312 CD ARG A 23 10.159 -9.016 3.348 1.00 0.00 C ATOM 313 NE ARG A 23 9.821 -10.365 2.843 1.00 0.00 N ATOM 314 CZ ARG A 23 10.493 -11.478 3.165 1.00 0.00 C ATOM 315 NH1 ARG A 23 11.545 -11.410 3.993 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.115 -12.660 2.659 1.00 0.00 N ATOM 0 H ARG A 23 6.401 -6.289 1.174 1.00 0.00 H new ATOM 0 HA ARG A 23 9.010 -5.475 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.485 -8.224 0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.075 -7.544 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.064 -7.204 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.055 -8.548 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.069 -8.656 2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.360 -9.059 4.418 1.00 0.00 H new ATOM 0 HE ARG A 23 9.026 -10.453 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.834 -10.511 4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.057 -12.258 4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.315 -12.712 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.627 -13.507 2.905 1.00 0.00 H new ATOM 330 N PRO A 24 8.819 -4.301 -0.044 1.00 0.00 N ATOM 331 CA PRO A 24 8.973 -3.690 -1.353 1.00 0.00 C ATOM 332 C PRO A 24 10.348 -4.003 -1.946 1.00 0.00 C ATOM 333 O PRO A 24 10.447 -4.676 -2.971 1.00 0.00 O ATOM 334 CB PRO A 24 8.752 -2.204 -1.122 1.00 0.00 C ATOM 335 CG PRO A 24 8.942 -1.981 0.370 1.00 0.00 C ATOM 336 CD PRO A 24 8.922 -3.340 1.050 1.00 0.00 C ATOM 0 HA PRO A 24 8.262 -4.077 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.460 -1.610 -1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.753 -1.904 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.886 -1.471 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.150 -1.345 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.827 -3.503 1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.078 -3.428 1.735 1.00 0.00 H new ATOM 529 N THR A 37 7.284 1.149 -3.909 1.00 0.00 N ATOM 530 CA THR A 37 6.161 0.422 -4.477 1.00 0.00 C ATOM 531 C THR A 37 6.315 -1.079 -4.222 1.00 0.00 C ATOM 532 O THR A 37 7.235 -1.504 -3.525 1.00 0.00 O ATOM 533 CB THR A 37 6.068 0.780 -5.961 1.00 0.00 C ATOM 534 OG1 THR A 37 6.885 -0.194 -6.605 1.00 0.00 O ATOM 535 CG2 THR A 37 6.748 2.111 -6.286 1.00 0.00 C ATOM 0 HA THR A 37 5.223 0.707 -4.000 1.00 0.00 H new ATOM 0 HB THR A 37 5.020 0.826 -6.258 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.076 0.094 -7.522 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.653 2.317 -7.352 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.273 2.911 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.804 2.055 -6.020 1.00 0.00 H new ATOM 543 N PHE A 38 5.399 -1.842 -4.802 1.00 0.00 N ATOM 544 CA PHE A 38 5.420 -3.286 -4.646 1.00 0.00 C ATOM 545 C PHE A 38 4.318 -3.944 -5.480 1.00 0.00 C ATOM 546 O PHE A 38 3.167 -3.513 -5.443 1.00 0.00 O ATOM 547 CB PHE A 38 5.169 -3.581 -3.166 1.00 0.00 C ATOM 548 CG PHE A 38 4.113 -2.680 -2.523 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.799 -3.025 -2.577 1.00 0.00 C ATOM 550 CD2 PHE A 38 4.489 -1.532 -1.897 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.819 -2.189 -1.980 1.00 0.00 C ATOM 552 CE2 PHE A 38 3.509 -0.695 -1.300 1.00 0.00 C ATOM 553 CZ PHE A 38 2.195 -1.042 -1.354 1.00 0.00 C ATOM 0 H PHE A 38 4.638 -1.487 -5.381 1.00 0.00 H new ATOM 0 HA PHE A 38 6.378 -3.682 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.858 -4.620 -3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.106 -3.472 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.500 -3.936 -3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.533 -1.257 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.775 -2.464 -2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.807 0.217 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.450 -0.406 -0.899 1.00 0.00 H new ATOM 563 N LEU A 39 4.710 -4.977 -6.211 1.00 0.00 N ATOM 564 CA LEU A 39 3.770 -5.698 -7.052 1.00 0.00 C ATOM 565 C LEU A 39 2.437 -5.838 -6.315 1.00 0.00 C ATOM 566 O LEU A 39 2.412 -6.076 -5.108 1.00 0.00 O ATOM 567 CB LEU A 39 4.367 -7.033 -7.501 1.00 0.00 C ATOM 568 CG LEU A 39 5.813 -6.987 -7.999 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.197 -8.298 -8.689 1.00 0.00 C ATOM 570 CD2 LEU A 39 6.043 -5.775 -8.903 1.00 0.00 C ATOM 0 H LEU A 39 5.666 -5.332 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 39 3.572 -5.140 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.313 -7.732 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.742 -7.439 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 39 6.468 -6.873 -7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.229 -8.239 -9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.096 -9.123 -7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.539 -8.467 -9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.079 -5.766 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.378 -5.833 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.836 -4.861 -8.346 1.00 0.00 H new ATOM 582 N GLY A 40 1.360 -5.684 -7.071 1.00 0.00 N ATOM 583 CA GLY A 40 0.026 -5.790 -6.505 1.00 0.00 C ATOM 584 C GLY A 40 -0.197 -7.170 -5.883 1.00 0.00 C ATOM 585 O GLY A 40 -0.932 -7.303 -4.905 1.00 0.00 O ATOM 0 H GLY A 40 1.384 -5.487 -8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.114 -5.019 -5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.718 -5.613 -7.282 1.00 0.00 H new ATOM 589 N SER A 41 0.449 -8.163 -6.475 1.00 0.00 N ATOM 590 CA SER A 41 0.331 -9.528 -5.992 1.00 0.00 C ATOM 591 C SER A 41 1.001 -9.658 -4.623 1.00 0.00 C ATOM 592 O SER A 41 0.502 -10.364 -3.747 1.00 0.00 O ATOM 593 CB SER A 41 0.947 -10.519 -6.981 1.00 0.00 C ATOM 594 OG SER A 41 0.321 -11.797 -6.918 1.00 0.00 O ATOM 0 H SER A 41 1.057 -8.049 -7.286 1.00 0.00 H new ATOM 0 HA SER A 41 -0.728 -9.766 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.860 -10.123 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.011 -10.626 -6.771 1.00 0.00 H new ATOM 0 HG SER A 41 -0.642 -11.683 -6.778 1.00 0.00 H new ATOM 600 N SER A 42 2.122 -8.967 -4.480 1.00 0.00 N ATOM 601 CA SER A 42 2.866 -8.996 -3.232 1.00 0.00 C ATOM 602 C SER A 42 1.996 -8.465 -2.092 1.00 0.00 C ATOM 603 O SER A 42 2.092 -8.939 -0.961 1.00 0.00 O ATOM 604 CB SER A 42 4.156 -8.180 -3.341 1.00 0.00 C ATOM 605 OG SER A 42 5.244 -8.809 -2.670 1.00 0.00 O ATOM 0 H SER A 42 2.534 -8.383 -5.208 1.00 0.00 H new ATOM 0 HA SER A 42 3.139 -10.030 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.410 -8.042 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.994 -7.188 -2.919 1.00 0.00 H new ATOM 0 HG SER A 42 6.049 -8.258 -2.764 1.00 0.00 H new ATOM 611 N LEU A 43 1.166 -7.488 -2.428 1.00 0.00 N ATOM 612 CA LEU A 43 0.280 -6.888 -1.446 1.00 0.00 C ATOM 613 C LEU A 43 -0.869 -7.852 -1.146 1.00 0.00 C ATOM 614 O LEU A 43 -1.213 -8.071 0.015 1.00 0.00 O ATOM 615 CB LEU A 43 -0.182 -5.507 -1.915 1.00 0.00 C ATOM 616 CG LEU A 43 -1.292 -4.854 -1.088 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.041 -5.040 0.410 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.460 -3.380 -1.462 1.00 0.00 C ATOM 0 H LEU A 43 1.089 -7.097 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 43 0.809 -6.720 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.680 -4.840 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.526 -5.592 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.232 -5.355 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.844 -4.567 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.011 -6.104 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.089 -4.582 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.255 -2.940 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.527 -2.849 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.718 -3.300 -2.518 1.00 0.00 H new ATOM 630 N VAL A 44 -1.432 -8.402 -2.212 1.00 0.00 N ATOM 631 CA VAL A 44 -2.535 -9.337 -2.077 1.00 0.00 C ATOM 632 C VAL A 44 -2.109 -10.495 -1.171 1.00 0.00 C ATOM 633 O VAL A 44 -2.622 -10.642 -0.063 1.00 0.00 O ATOM 634 CB VAL A 44 -3.001 -9.800 -3.459 1.00 0.00 C ATOM 635 CG1 VAL A 44 -3.941 -11.002 -3.347 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.666 -8.654 -4.225 1.00 0.00 C ATOM 0 H VAL A 44 -1.144 -8.218 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.390 -8.853 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.122 -10.114 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.257 -11.311 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.421 -11.827 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.816 -10.726 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.988 -9.009 -5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.531 -8.296 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.953 -7.839 -4.351 1.00 0.00 H new ATOM 646 N ASP A 45 -1.175 -11.287 -1.677 1.00 0.00 N ATOM 647 CA ASP A 45 -0.675 -12.427 -0.928 1.00 0.00 C ATOM 648 C ASP A 45 -0.428 -12.009 0.523 1.00 0.00 C ATOM 649 O ASP A 45 -0.679 -12.782 1.446 1.00 0.00 O ATOM 650 CB ASP A 45 0.650 -12.928 -1.507 1.00 0.00 C ATOM 651 CG ASP A 45 0.961 -14.400 -1.230 1.00 0.00 C ATOM 652 OD1 ASP A 45 0.115 -15.045 -0.574 1.00 0.00 O ATOM 653 OD2 ASP A 45 2.038 -14.847 -1.681 1.00 0.00 O ATOM 0 H ASP A 45 -0.752 -11.162 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.418 -13.222 -0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.640 -12.771 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.459 -12.319 -1.103 1.00 0.00 H new ATOM 658 N TRP A 46 0.061 -10.787 0.679 1.00 0.00 N ATOM 659 CA TRP A 46 0.344 -10.258 2.002 1.00 0.00 C ATOM 660 C TRP A 46 -0.979 -10.158 2.764 1.00 0.00 C ATOM 661 O TRP A 46 -1.206 -10.899 3.720 1.00 0.00 O ATOM 662 CB TRP A 46 1.084 -8.921 1.911 1.00 0.00 C ATOM 663 CG TRP A 46 1.547 -8.373 3.262 1.00 0.00 C ATOM 664 CD1 TRP A 46 2.663 -8.679 3.938 1.00 0.00 C ATOM 665 CD2 TRP A 46 0.857 -7.404 4.079 1.00 0.00 C ATOM 666 NE1 TRP A 46 2.742 -7.981 5.126 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.609 -7.181 5.214 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.363 -6.738 3.865 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.225 -6.291 6.225 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.732 -5.852 4.885 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.014 -5.617 6.034 1.00 0.00 C ATOM 0 H TRP A 46 0.268 -10.149 -0.089 1.00 0.00 H new ATOM 0 HA TRP A 46 1.012 -10.924 2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.952 -9.041 1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.431 -8.188 1.437 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.407 -9.383 3.596 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.494 -8.041 5.813 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.967 -6.897 2.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 1.831 -6.133 7.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.661 -5.314 4.771 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -0.340 -4.917 6.776 1.00 0.00 H new ATOM 682 N LEU A 47 -1.817 -9.236 2.314 1.00 0.00 N ATOM 683 CA LEU A 47 -3.111 -9.030 2.942 1.00 0.00 C ATOM 684 C LEU A 47 -3.712 -10.385 3.318 1.00 0.00 C ATOM 685 O LEU A 47 -4.392 -10.506 4.336 1.00 0.00 O ATOM 686 CB LEU A 47 -4.014 -8.185 2.042 1.00 0.00 C ATOM 687 CG LEU A 47 -3.696 -6.689 1.986 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.345 -6.036 0.764 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.097 -5.994 3.288 1.00 0.00 C ATOM 0 H LEU A 47 -1.625 -8.623 1.522 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.000 -8.463 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.961 -8.585 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.044 -8.305 2.379 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.618 -6.573 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.103 -4.973 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.968 -6.507 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.427 -6.161 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.860 -4.932 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.168 -6.118 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.549 -6.436 4.120 1.00 0.00 H new ATOM 701 N ILE A 48 -3.439 -11.372 2.477 1.00 0.00 N ATOM 702 CA ILE A 48 -3.944 -12.714 2.708 1.00 0.00 C ATOM 703 C ILE A 48 -3.280 -13.296 3.957 1.00 0.00 C ATOM 704 O ILE A 48 -3.963 -13.730 4.884 1.00 0.00 O ATOM 705 CB ILE A 48 -3.766 -13.577 1.458 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.545 -12.998 0.275 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.146 -15.033 1.737 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.112 -13.650 -1.039 1.00 0.00 C ATOM 0 H ILE A 48 -2.874 -11.268 1.634 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.017 -12.689 2.899 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.711 -13.566 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.613 -13.153 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.384 -11.921 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.010 -15.624 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.510 -15.430 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.189 -15.083 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.681 -13.220 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.049 -13.472 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.297 -14.723 -0.991 1.00 0.00 H new ATOM 720 N SER A 49 -1.955 -13.288 3.942 1.00 0.00 N ATOM 721 CA SER A 49 -1.191 -13.809 5.062 1.00 0.00 C ATOM 722 C SER A 49 -1.336 -12.884 6.272 1.00 0.00 C ATOM 723 O SER A 49 -1.058 -13.284 7.401 1.00 0.00 O ATOM 724 CB SER A 49 0.285 -13.973 4.694 1.00 0.00 C ATOM 725 OG SER A 49 1.004 -14.709 5.680 1.00 0.00 O ATOM 0 H SER A 49 -1.391 -12.929 3.172 1.00 0.00 H new ATOM 0 HA SER A 49 -1.586 -14.793 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.364 -14.481 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.740 -12.990 4.573 1.00 0.00 H new ATOM 0 HG SER A 49 1.941 -14.793 5.407 1.00 0.00 H new ATOM 731 N SER A 50 -1.772 -11.664 5.994 1.00 0.00 N ATOM 732 CA SER A 50 -1.958 -10.678 7.045 1.00 0.00 C ATOM 733 C SER A 50 -3.200 -11.021 7.871 1.00 0.00 C ATOM 734 O SER A 50 -3.397 -10.478 8.957 1.00 0.00 O ATOM 735 CB SER A 50 -2.080 -9.268 6.463 1.00 0.00 C ATOM 736 OG SER A 50 -0.847 -8.807 5.918 1.00 0.00 O ATOM 0 H SER A 50 -2.002 -11.336 5.056 1.00 0.00 H new ATOM 0 HA SER A 50 -1.082 -10.700 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.845 -9.261 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.411 -8.582 7.242 1.00 0.00 H new ATOM 0 HG SER A 50 -0.963 -7.899 5.567 1.00 0.00 H new ATOM 742 N ASN A 51 -4.004 -11.921 7.324 1.00 0.00 N ATOM 743 CA ASN A 51 -5.221 -12.343 7.997 1.00 0.00 C ATOM 744 C ASN A 51 -6.332 -11.328 7.716 1.00 0.00 C ATOM 745 O ASN A 51 -7.407 -11.399 8.310 1.00 0.00 O ATOM 746 CB ASN A 51 -5.018 -12.413 9.511 1.00 0.00 C ATOM 747 CG ASN A 51 -6.053 -13.334 10.162 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.507 -14.307 9.583 1.00 0.00 O ATOM 749 ND2 ASN A 51 -6.399 -12.973 11.394 1.00 0.00 N ATOM 0 H ASN A 51 -3.837 -12.369 6.423 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.487 -13.332 7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.014 -12.776 9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.096 -11.413 9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.084 -13.523 11.913 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.980 -12.146 11.820 1.00 0.00 H new ATOM 756 N PHE A 52 -6.034 -10.408 6.810 1.00 0.00 N ATOM 757 CA PHE A 52 -6.994 -9.381 6.443 1.00 0.00 C ATOM 758 C PHE A 52 -7.828 -9.816 5.236 1.00 0.00 C ATOM 759 O PHE A 52 -8.885 -9.245 4.970 1.00 0.00 O ATOM 760 CB PHE A 52 -6.192 -8.132 6.071 1.00 0.00 C ATOM 761 CG PHE A 52 -5.155 -7.724 7.119 1.00 0.00 C ATOM 762 CD1 PHE A 52 -5.194 -8.270 8.364 1.00 0.00 C ATOM 763 CD2 PHE A 52 -4.193 -6.815 6.805 1.00 0.00 C ATOM 764 CE1 PHE A 52 -4.231 -7.890 9.336 1.00 0.00 C ATOM 765 CE2 PHE A 52 -3.230 -6.435 7.777 1.00 0.00 C ATOM 766 CZ PHE A 52 -3.269 -6.981 9.022 1.00 0.00 C ATOM 0 H PHE A 52 -5.141 -10.353 6.319 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.675 -9.195 7.273 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.685 -8.307 5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.882 -7.303 5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.957 -8.992 8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.162 -6.382 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.262 -8.323 10.325 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.467 -5.713 7.528 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.536 -6.693 9.761 1.00 0.00 H new ATOM 776 N ALA A 53 -7.321 -10.822 4.539 1.00 0.00 N ATOM 777 CA ALA A 53 -8.007 -11.340 3.367 1.00 0.00 C ATOM 778 C ALA A 53 -8.014 -12.869 3.419 1.00 0.00 C ATOM 779 O ALA A 53 -7.113 -13.478 3.994 1.00 0.00 O ATOM 780 CB ALA A 53 -7.332 -10.803 2.103 1.00 0.00 C ATOM 0 H ALA A 53 -6.444 -11.292 4.763 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.045 -11.006 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.846 -11.191 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.379 -9.714 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.290 -11.121 2.084 1.00 0.00 H new ATOM 786 N ALA A 54 -9.041 -13.445 2.813 1.00 0.00 N ATOM 787 CA ALA A 54 -9.178 -14.891 2.783 1.00 0.00 C ATOM 788 C ALA A 54 -8.692 -15.417 1.431 1.00 0.00 C ATOM 789 O ALA A 54 -8.284 -16.573 1.321 1.00 0.00 O ATOM 790 CB ALA A 54 -10.631 -15.273 3.070 1.00 0.00 C ATOM 0 H ALA A 54 -9.787 -12.936 2.338 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.562 -15.351 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.733 -16.358 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.917 -14.902 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.280 -14.832 2.313 1.00 0.00 H new ATOM 796 N SER A 55 -8.753 -14.545 0.436 1.00 0.00 N ATOM 797 CA SER A 55 -8.325 -14.907 -0.904 1.00 0.00 C ATOM 798 C SER A 55 -7.877 -13.658 -1.666 1.00 0.00 C ATOM 799 O SER A 55 -8.141 -12.537 -1.236 1.00 0.00 O ATOM 800 CB SER A 55 -9.444 -15.621 -1.666 1.00 0.00 C ATOM 801 OG SER A 55 -9.012 -16.866 -2.207 1.00 0.00 O ATOM 0 H SER A 55 -9.093 -13.588 0.531 1.00 0.00 H new ATOM 0 HA SER A 55 -7.483 -15.595 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.288 -15.790 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.800 -14.980 -2.472 1.00 0.00 H new ATOM 0 HG SER A 55 -9.755 -17.291 -2.684 1.00 0.00 H new ATOM 807 N ARG A 56 -7.208 -13.895 -2.785 1.00 0.00 N ATOM 808 CA ARG A 56 -6.722 -12.803 -3.611 1.00 0.00 C ATOM 809 C ARG A 56 -7.775 -11.698 -3.705 1.00 0.00 C ATOM 810 O ARG A 56 -7.438 -10.516 -3.764 1.00 0.00 O ATOM 811 CB ARG A 56 -6.376 -13.290 -5.020 1.00 0.00 C ATOM 812 CG ARG A 56 -4.953 -13.848 -5.073 1.00 0.00 C ATOM 813 CD ARG A 56 -4.966 -15.362 -5.296 1.00 0.00 C ATOM 814 NE ARG A 56 -4.540 -16.059 -4.061 1.00 0.00 N ATOM 815 CZ ARG A 56 -4.479 -17.391 -3.934 1.00 0.00 C ATOM 816 NH1 ARG A 56 -4.816 -18.179 -4.964 1.00 0.00 N ATOM 817 NH2 ARG A 56 -4.081 -17.936 -2.776 1.00 0.00 N ATOM 0 H ARG A 56 -6.991 -14.827 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.820 -12.410 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.084 -14.060 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.474 -12.467 -5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.398 -13.363 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.433 -13.618 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.967 -15.687 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.300 -15.623 -6.119 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.277 -15.489 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.119 -17.765 -5.845 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.769 -19.193 -4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.825 -17.336 -1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.035 -18.950 -2.679 1.00 0.00 H new ATOM 831 N LEU A 57 -9.031 -12.121 -3.716 1.00 0.00 N ATOM 832 CA LEU A 57 -10.136 -11.181 -3.801 1.00 0.00 C ATOM 833 C LEU A 57 -10.075 -10.219 -2.614 1.00 0.00 C ATOM 834 O LEU A 57 -9.691 -9.060 -2.768 1.00 0.00 O ATOM 835 CB LEU A 57 -11.466 -11.928 -3.919 1.00 0.00 C ATOM 836 CG LEU A 57 -12.430 -11.418 -4.993 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.269 -10.252 -4.466 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.678 -11.050 -6.274 1.00 0.00 C ATOM 0 H LEU A 57 -9.308 -13.102 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.054 -10.577 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.253 -12.978 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.972 -11.883 -2.954 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.120 -12.224 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.946 -9.908 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.849 -10.581 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.611 -9.435 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.386 -10.691 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.951 -10.268 -6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.161 -11.929 -6.658 1.00 0.00 H new ATOM 850 N GLU A 58 -10.460 -10.734 -1.455 1.00 0.00 N ATOM 851 CA GLU A 58 -10.453 -9.934 -0.242 1.00 0.00 C ATOM 852 C GLU A 58 -9.210 -9.044 -0.199 1.00 0.00 C ATOM 853 O GLU A 58 -9.291 -7.875 0.175 1.00 0.00 O ATOM 854 CB GLU A 58 -10.534 -10.823 1.001 1.00 0.00 C ATOM 855 CG GLU A 58 -11.989 -11.117 1.372 1.00 0.00 C ATOM 856 CD GLU A 58 -12.818 -9.831 1.400 1.00 0.00 C ATOM 857 OE1 GLU A 58 -12.392 -8.897 2.114 1.00 0.00 O ATOM 858 OE2 GLU A 58 -13.858 -9.812 0.708 1.00 0.00 O ATOM 0 H GLU A 58 -10.779 -11.695 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.334 -9.293 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.006 -11.759 0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.034 -10.333 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.418 -11.815 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.029 -11.601 2.348 1.00 0.00 H new ATOM 865 N ALA A 59 -8.087 -9.630 -0.589 1.00 0.00 N ATOM 866 CA ALA A 59 -6.829 -8.904 -0.600 1.00 0.00 C ATOM 867 C ALA A 59 -6.924 -7.741 -1.589 1.00 0.00 C ATOM 868 O ALA A 59 -6.556 -6.614 -1.265 1.00 0.00 O ATOM 869 CB ALA A 59 -5.688 -9.866 -0.940 1.00 0.00 C ATOM 0 H ALA A 59 -8.023 -10.599 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.620 -8.484 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.744 -9.322 -0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.644 -10.657 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.863 -10.305 -1.922 1.00 0.00 H new ATOM 875 N VAL A 60 -7.421 -8.055 -2.777 1.00 0.00 N ATOM 876 CA VAL A 60 -7.570 -7.050 -3.816 1.00 0.00 C ATOM 877 C VAL A 60 -8.289 -5.829 -3.238 1.00 0.00 C ATOM 878 O VAL A 60 -7.922 -4.692 -3.531 1.00 0.00 O ATOM 879 CB VAL A 60 -8.289 -7.651 -5.026 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.866 -6.552 -5.921 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.356 -8.570 -5.817 1.00 0.00 C ATOM 0 H VAL A 60 -7.726 -8.991 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.594 -6.716 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.119 -8.254 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.372 -7.005 -6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.579 -5.956 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.059 -5.911 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.891 -8.984 -6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.496 -8.000 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.015 -9.382 -5.175 1.00 0.00 H new ATOM 891 N THR A 61 -9.301 -6.106 -2.429 1.00 0.00 N ATOM 892 CA THR A 61 -10.076 -5.045 -1.809 1.00 0.00 C ATOM 893 C THR A 61 -9.266 -4.374 -0.697 1.00 0.00 C ATOM 894 O THR A 61 -9.221 -3.148 -0.610 1.00 0.00 O ATOM 895 CB THR A 61 -11.396 -5.645 -1.321 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.380 -4.700 -1.733 1.00 0.00 O ATOM 897 CG2 THR A 61 -11.505 -5.657 0.205 1.00 0.00 C ATOM 0 H THR A 61 -9.602 -7.050 -2.189 1.00 0.00 H new ATOM 0 HA THR A 61 -10.307 -4.255 -2.524 1.00 0.00 H new ATOM 0 HB THR A 61 -11.494 -6.663 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.268 -5.011 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.460 -6.093 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.692 -6.250 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.441 -4.636 0.582 1.00 0.00 H new ATOM 905 N LEU A 62 -8.645 -5.208 0.125 1.00 0.00 N ATOM 906 CA LEU A 62 -7.840 -4.711 1.227 1.00 0.00 C ATOM 907 C LEU A 62 -6.870 -3.648 0.706 1.00 0.00 C ATOM 908 O LEU A 62 -6.531 -2.708 1.422 1.00 0.00 O ATOM 909 CB LEU A 62 -7.151 -5.870 1.952 1.00 0.00 C ATOM 910 CG LEU A 62 -7.909 -6.462 3.141 1.00 0.00 C ATOM 911 CD1 LEU A 62 -7.644 -5.659 4.416 1.00 0.00 C ATOM 912 CD2 LEU A 62 -9.404 -6.577 2.836 1.00 0.00 C ATOM 0 H LEU A 62 -8.684 -6.224 0.049 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.471 -4.228 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.968 -6.666 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.177 -5.526 2.302 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.537 -7.472 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.195 -6.102 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.577 -5.673 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.971 -4.629 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.920 -7.001 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.809 -5.588 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.550 -7.224 1.971 1.00 0.00 H new ATOM 924 N ALA A 63 -6.452 -3.834 -0.537 1.00 0.00 N ATOM 925 CA ALA A 63 -5.528 -2.903 -1.163 1.00 0.00 C ATOM 926 C ALA A 63 -6.270 -1.610 -1.509 1.00 0.00 C ATOM 927 O ALA A 63 -5.885 -0.531 -1.061 1.00 0.00 O ATOM 928 CB ALA A 63 -4.895 -3.559 -2.392 1.00 0.00 C ATOM 0 H ALA A 63 -6.736 -4.615 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.720 -2.646 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.202 -2.860 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.356 -4.456 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.676 -3.828 -3.103 1.00 0.00 H new ATOM 934 N SER A 64 -7.320 -1.762 -2.302 1.00 0.00 N ATOM 935 CA SER A 64 -8.119 -0.621 -2.713 1.00 0.00 C ATOM 936 C SER A 64 -8.613 0.143 -1.483 1.00 0.00 C ATOM 937 O SER A 64 -8.930 1.328 -1.569 1.00 0.00 O ATOM 938 CB SER A 64 -9.304 -1.060 -3.577 1.00 0.00 C ATOM 939 OG SER A 64 -10.479 -1.275 -2.800 1.00 0.00 O ATOM 0 H SER A 64 -7.636 -2.659 -2.671 1.00 0.00 H new ATOM 0 HA SER A 64 -7.491 0.037 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.503 -0.300 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.047 -1.977 -4.107 1.00 0.00 H new ATOM 0 HG SER A 64 -10.268 -1.862 -2.044 1.00 0.00 H new ATOM 945 N MET A 65 -8.664 -0.568 -0.366 1.00 0.00 N ATOM 946 CA MET A 65 -9.114 0.028 0.881 1.00 0.00 C ATOM 947 C MET A 65 -8.027 0.919 1.486 1.00 0.00 C ATOM 948 O MET A 65 -8.320 1.994 2.007 1.00 0.00 O ATOM 949 CB MET A 65 -9.478 -1.078 1.873 1.00 0.00 C ATOM 950 CG MET A 65 -10.781 -1.771 1.468 1.00 0.00 C ATOM 951 SD MET A 65 -11.933 -1.750 2.831 1.00 0.00 S ATOM 952 CE MET A 65 -11.232 -3.039 3.848 1.00 0.00 C ATOM 0 H MET A 65 -8.401 -1.551 -0.298 1.00 0.00 H new ATOM 0 HA MET A 65 -9.989 0.644 0.673 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.672 -1.810 1.919 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.582 -0.655 2.872 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.217 -1.268 0.605 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.578 -2.799 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.253 -2.730 4.893 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.813 -3.953 3.729 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.201 -3.222 3.544 1.00 0.00 H new ATOM 962 N LEU A 66 -6.795 0.439 1.397 1.00 0.00 N ATOM 963 CA LEU A 66 -5.664 1.179 1.929 1.00 0.00 C ATOM 964 C LEU A 66 -5.421 2.420 1.068 1.00 0.00 C ATOM 965 O LEU A 66 -5.208 3.512 1.593 1.00 0.00 O ATOM 966 CB LEU A 66 -4.440 0.270 2.056 1.00 0.00 C ATOM 967 CG LEU A 66 -4.607 -0.957 2.955 1.00 0.00 C ATOM 968 CD1 LEU A 66 -3.675 -2.089 2.517 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.408 -0.588 4.427 1.00 0.00 C ATOM 0 H LEU A 66 -6.556 -0.453 0.964 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.879 1.528 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.159 -0.070 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.609 0.864 2.436 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.629 -1.322 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.814 -2.949 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.906 -2.374 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.640 -1.752 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.532 -1.477 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.405 -0.185 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.145 0.161 4.717 1.00 0.00 H new ATOM 981 N MET A 67 -5.462 2.212 -0.239 1.00 0.00 N ATOM 982 CA MET A 67 -5.249 3.300 -1.178 1.00 0.00 C ATOM 983 C MET A 67 -6.230 4.446 -0.921 1.00 0.00 C ATOM 984 O MET A 67 -5.864 5.616 -1.023 1.00 0.00 O ATOM 985 CB MET A 67 -5.430 2.784 -2.607 1.00 0.00 C ATOM 986 CG MET A 67 -4.197 2.004 -3.069 1.00 0.00 C ATOM 987 SD MET A 67 -4.009 2.150 -4.838 1.00 0.00 S ATOM 988 CE MET A 67 -5.695 1.865 -5.352 1.00 0.00 C ATOM 0 H MET A 67 -5.640 1.305 -0.671 1.00 0.00 H new ATOM 0 HA MET A 67 -4.235 3.677 -1.044 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.310 2.143 -2.657 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.608 3.622 -3.280 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.307 2.385 -2.568 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.295 0.955 -2.791 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.708 1.535 -6.391 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.143 1.097 -4.722 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.265 2.789 -5.258 1.00 0.00 H new ATOM 998 N GLU A 68 -7.457 4.069 -0.592 1.00 0.00 N ATOM 999 CA GLU A 68 -8.493 5.051 -0.319 1.00 0.00 C ATOM 1000 C GLU A 68 -8.146 5.854 0.936 1.00 0.00 C ATOM 1001 O GLU A 68 -8.286 7.076 0.955 1.00 0.00 O ATOM 1002 CB GLU A 68 -9.861 4.380 -0.180 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.662 4.495 -1.478 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.918 5.345 -1.274 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -12.403 5.373 -0.122 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -12.365 5.947 -2.274 1.00 0.00 O ATOM 0 H GLU A 68 -7.757 3.098 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.546 5.739 -1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.730 3.329 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.416 4.843 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.040 4.939 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.944 3.501 -1.825 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.700 5.134 1.956 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.332 5.765 3.212 1.00 0.00 C ATOM 1015 C GLU A 69 -6.128 6.687 3.011 1.00 0.00 C ATOM 1016 O GLU A 69 -5.755 7.433 3.915 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.045 4.716 4.288 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.229 4.576 5.247 1.00 0.00 C ATOM 1019 CD GLU A 69 -7.975 5.341 6.548 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -7.248 4.786 7.400 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -8.513 6.464 6.660 1.00 0.00 O ATOM 0 H GLU A 69 -7.585 4.121 1.938 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.173 6.368 3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.838 3.755 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.152 4.997 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.134 4.953 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.400 3.522 5.468 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.553 6.605 1.820 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.399 7.423 1.489 1.00 0.00 C ATOM 1030 C ASN A 70 -3.134 6.762 2.042 1.00 0.00 C ATOM 1031 O ASN A 70 -2.158 7.443 2.350 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.514 8.816 2.110 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.076 9.897 1.120 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -2.958 9.912 0.632 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -5.017 10.797 0.851 1.00 0.00 N ATOM 0 H ASN A 70 -5.865 5.985 1.073 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.352 7.515 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.544 8.996 2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.898 8.869 3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.823 11.559 0.201 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.933 10.726 1.295 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.194 5.443 2.150 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.066 4.682 2.661 1.00 0.00 C ATOM 1044 C PHE A 71 -1.164 4.208 1.520 1.00 0.00 C ATOM 1045 O PHE A 71 0.043 4.051 1.703 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.640 3.461 3.382 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.323 3.788 4.712 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -2.757 4.683 5.566 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.497 3.185 5.040 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.390 4.986 6.800 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.131 3.489 6.274 1.00 0.00 C ATOM 1052 CZ PHE A 71 -4.564 4.383 7.128 1.00 0.00 C ATOM 0 H PHE A 71 -4.006 4.882 1.893 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.468 5.304 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.360 2.970 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.836 2.748 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.826 5.163 5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.947 2.475 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.939 5.695 7.478 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.063 3.010 6.534 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.046 4.614 8.066 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.783 3.992 0.369 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.050 3.539 -0.801 1.00 0.00 C ATOM 1064 C LEU A 72 -1.632 4.204 -2.051 1.00 0.00 C ATOM 1065 O LEU A 72 -2.677 4.849 -1.986 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.038 2.010 -0.867 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.128 1.296 -0.064 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.848 0.255 -0.924 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.554 0.685 1.215 1.00 0.00 C ATOM 0 H LEU A 72 -2.784 4.122 0.221 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.005 3.841 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.128 1.710 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.067 1.658 -0.517 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.871 2.035 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.618 -0.238 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.310 0.747 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.130 -0.486 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.349 0.184 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.780 -0.038 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.124 1.473 1.833 1.00 0.00 H new ATOM 1081 N ARG A 73 -0.929 4.023 -3.160 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.363 4.597 -4.422 1.00 0.00 C ATOM 1083 C ARG A 73 -0.799 3.790 -5.593 1.00 0.00 C ATOM 1084 O ARG A 73 0.262 3.178 -5.477 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.909 6.053 -4.550 1.00 0.00 C ATOM 1086 CG ARG A 73 0.593 6.184 -4.291 1.00 0.00 C ATOM 1087 CD ARG A 73 0.863 6.664 -2.863 1.00 0.00 C ATOM 1088 NE ARG A 73 2.139 7.413 -2.814 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.293 8.665 -3.267 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.252 9.315 -3.806 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.487 9.266 -3.182 1.00 0.00 N ATOM 0 H ARG A 73 -0.062 3.487 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.452 4.565 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.143 6.424 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.459 6.673 -3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.079 5.222 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.029 6.885 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.045 7.300 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.906 5.811 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 73 2.952 6.947 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.343 8.857 -3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.369 10.268 -4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.279 8.771 -2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.604 10.219 -3.527 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.553 3.816 -6.725 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.140 3.094 -7.916 1.00 0.00 C ATOM 1107 C PRO A 74 0.008 3.817 -8.624 1.00 0.00 C ATOM 1108 O PRO A 74 0.045 5.046 -8.661 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.394 2.993 -8.770 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.343 4.058 -8.244 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.815 4.530 -6.899 1.00 0.00 C ATOM 0 HA PRO A 74 -0.746 2.103 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.164 3.160 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.839 2.001 -8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.406 4.892 -8.943 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.350 3.654 -8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.664 5.609 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.515 4.299 -6.096 1.00 0.00 H new ATOM 1361 N PHE A 92 -7.838 -2.029 -8.268 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.625 -2.755 -7.935 1.00 0.00 C ATOM 1363 C PHE A 92 -6.537 -4.065 -8.721 1.00 0.00 C ATOM 1364 O PHE A 92 -7.528 -4.519 -9.291 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.691 -3.074 -6.440 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.327 -3.335 -5.799 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -4.502 -2.294 -5.508 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.940 -4.608 -5.518 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.236 -2.536 -4.913 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.673 -4.850 -4.923 1.00 0.00 C ATOM 1371 CZ PHE A 92 -2.848 -3.809 -4.633 1.00 0.00 C ATOM 0 HA PHE A 92 -5.751 -2.154 -8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.171 -2.243 -5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.323 -3.950 -6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.810 -1.283 -5.730 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.596 -5.435 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.581 -1.709 -4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.365 -5.861 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.885 -3.993 -4.180 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.341 -4.636 -8.725 1.00 0.00 N ATOM 1382 CA LEU A 93 -5.111 -5.885 -9.431 1.00 0.00 C ATOM 1383 C LEU A 93 -4.338 -6.844 -8.524 1.00 0.00 C ATOM 1384 O LEU A 93 -4.091 -6.538 -7.358 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.426 -5.623 -10.774 1.00 0.00 C ATOM 1386 CG LEU A 93 -4.932 -4.411 -11.560 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -3.796 -3.756 -12.349 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -6.110 -4.792 -12.459 1.00 0.00 C ATOM 0 H LEU A 93 -4.521 -4.257 -8.251 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.059 -6.367 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.358 -5.496 -10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.542 -6.510 -11.397 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.298 -3.671 -10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.182 -2.898 -12.898 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.018 -3.426 -11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.377 -4.477 -13.051 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.450 -3.912 -13.006 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.795 -5.559 -13.166 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.926 -5.176 -11.847 1.00 0.00 H new ATOM 1400 N ASP A 94 -3.978 -7.985 -9.093 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.238 -8.991 -8.349 1.00 0.00 C ATOM 1402 C ASP A 94 -2.269 -9.706 -9.293 1.00 0.00 C ATOM 1403 O ASP A 94 -2.460 -10.879 -9.612 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.180 -10.040 -7.755 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.491 -11.291 -7.207 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.687 -11.129 -6.263 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.783 -12.381 -7.744 1.00 0.00 O ATOM 0 H ASP A 94 -4.185 -8.235 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.703 -8.489 -7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.754 -9.578 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.893 -10.343 -8.522 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.251 -8.970 -9.714 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.252 -9.519 -10.614 1.00 0.00 C ATOM 1414 C ASP A 95 1.124 -8.962 -10.244 1.00 0.00 C ATOM 1415 O ASP A 95 1.274 -8.301 -9.217 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.545 -9.130 -12.065 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.556 -10.294 -13.057 1.00 0.00 C ATOM 1418 OD1 ASP A 95 -1.503 -11.105 -12.970 1.00 0.00 O ATOM 1419 OD2 ASP A 95 0.383 -10.347 -13.881 1.00 0.00 O ATOM 0 H ASP A 95 -1.097 -7.997 -9.448 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.274 -10.605 -10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.513 -8.631 -12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.201 -8.404 -12.388 1.00 0.00 H new ATOM 1424 N SER A 96 2.093 -9.249 -11.100 1.00 0.00 N ATOM 1425 CA SER A 96 3.452 -8.785 -10.875 1.00 0.00 C ATOM 1426 C SER A 96 3.635 -7.391 -11.480 1.00 0.00 C ATOM 1427 O SER A 96 4.506 -6.635 -11.052 1.00 0.00 O ATOM 1428 CB SER A 96 4.472 -9.759 -11.468 1.00 0.00 C ATOM 1429 OG SER A 96 4.218 -11.104 -11.072 1.00 0.00 O ATOM 0 H SER A 96 1.965 -9.797 -11.951 1.00 0.00 H new ATOM 0 HA SER A 96 3.623 -8.733 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.449 -9.691 -12.556 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.475 -9.471 -11.152 1.00 0.00 H new ATOM 0 HG SER A 96 4.889 -11.695 -11.472 1.00 0.00 H new ATOM 1435 N THR A 97 2.802 -7.094 -12.466 1.00 0.00 N ATOM 1436 CA THR A 97 2.861 -5.805 -13.133 1.00 0.00 C ATOM 1437 C THR A 97 2.344 -4.702 -12.209 1.00 0.00 C ATOM 1438 O THR A 97 3.089 -3.794 -11.843 1.00 0.00 O ATOM 1439 CB THR A 97 2.080 -5.915 -14.444 1.00 0.00 C ATOM 1440 OG1 THR A 97 0.886 -6.603 -14.081 1.00 0.00 O ATOM 1441 CG2 THR A 97 2.756 -6.848 -15.452 1.00 0.00 C ATOM 0 H THR A 97 2.082 -7.724 -12.819 1.00 0.00 H new ATOM 0 HA THR A 97 3.888 -5.530 -13.372 1.00 0.00 H new ATOM 0 HB THR A 97 1.969 -4.924 -14.884 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.320 -6.716 -14.873 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.161 -6.890 -16.364 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.752 -6.471 -15.685 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.837 -7.848 -15.025 1.00 0.00 H new ATOM 1449 N ALA A 98 1.071 -4.816 -11.857 1.00 0.00 N ATOM 1450 CA ALA A 98 0.446 -3.839 -10.982 1.00 0.00 C ATOM 1451 C ALA A 98 1.437 -3.430 -9.891 1.00 0.00 C ATOM 1452 O ALA A 98 2.108 -4.279 -9.306 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.846 -4.422 -10.407 1.00 0.00 C ATOM 0 H ALA A 98 0.456 -5.570 -12.162 1.00 0.00 H new ATOM 0 HA ALA A 98 0.179 -2.940 -11.538 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.315 -3.689 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.528 -4.669 -11.221 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.617 -5.324 -9.839 1.00 0.00 H new ATOM 1459 N LEU A 99 1.498 -2.128 -9.650 1.00 0.00 N ATOM 1460 CA LEU A 99 2.396 -1.596 -8.639 1.00 0.00 C ATOM 1461 C LEU A 99 1.607 -0.696 -7.686 1.00 0.00 C ATOM 1462 O LEU A 99 0.539 -0.198 -8.037 1.00 0.00 O ATOM 1463 CB LEU A 99 3.589 -0.899 -9.296 1.00 0.00 C ATOM 1464 CG LEU A 99 4.895 -1.695 -9.330 1.00 0.00 C ATOM 1465 CD1 LEU A 99 5.947 -0.987 -10.187 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.403 -1.976 -7.915 1.00 0.00 C ATOM 0 H LEU A 99 0.940 -1.427 -10.137 1.00 0.00 H new ATOM 0 HA LEU A 99 2.818 -2.404 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.316 -0.643 -10.320 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.771 0.038 -8.770 1.00 0.00 H new ATOM 0 HG LEU A 99 4.695 -2.659 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.865 -1.574 -10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.575 -0.882 -11.206 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.150 0.000 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.332 -2.543 -7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.582 -1.033 -7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.657 -2.553 -7.368 1.00 0.00 H new ATOM 1478 N TYR A 100 2.165 -0.515 -6.497 1.00 0.00 N ATOM 1479 CA TYR A 100 1.527 0.316 -5.490 1.00 0.00 C ATOM 1480 C TYR A 100 2.523 0.720 -4.402 1.00 0.00 C ATOM 1481 O TYR A 100 3.239 -0.124 -3.865 1.00 0.00 O ATOM 1482 CB TYR A 100 0.429 -0.547 -4.865 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.624 -1.033 -5.862 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.610 -0.172 -6.299 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.589 -2.333 -6.325 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.602 -0.630 -7.238 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.580 -2.791 -7.264 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.538 -1.916 -7.674 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.474 -2.349 -8.561 1.00 0.00 O ATOM 0 H TYR A 100 3.051 -0.930 -6.209 1.00 0.00 H new ATOM 0 HA TYR A 100 1.136 1.230 -5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.889 -1.412 -4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.066 0.025 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.638 0.845 -5.937 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.182 -3.007 -5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.379 0.033 -7.588 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.563 -3.805 -7.634 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.098 -2.337 -9.466 1.00 0.00 H new ATOM 1499 N THR A 101 2.537 2.012 -4.108 1.00 0.00 N ATOM 1500 CA THR A 101 3.434 2.539 -3.093 1.00 0.00 C ATOM 1501 C THR A 101 2.637 3.052 -1.892 1.00 0.00 C ATOM 1502 O THR A 101 1.485 2.668 -1.697 1.00 0.00 O ATOM 1503 CB THR A 101 4.308 3.612 -3.746 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.203 4.008 -2.710 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.526 4.887 -4.070 1.00 0.00 C ATOM 0 H THR A 101 1.942 2.709 -4.555 1.00 0.00 H new ATOM 0 HA THR A 101 4.089 1.761 -2.700 1.00 0.00 H new ATOM 0 HB THR A 101 4.749 3.214 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.232 4.986 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.193 5.615 -4.531 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.714 4.651 -4.758 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.113 5.304 -3.151 1.00 0.00 H new ATOM 1513 N PHE A 102 3.283 3.912 -1.118 1.00 0.00 N ATOM 1514 CA PHE A 102 2.649 4.482 0.059 1.00 0.00 C ATOM 1515 C PHE A 102 2.298 5.954 -0.166 1.00 0.00 C ATOM 1516 O PHE A 102 3.128 6.728 -0.641 1.00 0.00 O ATOM 1517 CB PHE A 102 3.658 4.379 1.204 1.00 0.00 C ATOM 1518 CG PHE A 102 3.852 2.958 1.737 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.771 2.170 1.983 1.00 0.00 C ATOM 1520 CD2 PHE A 102 5.105 2.482 1.965 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.951 0.851 2.477 1.00 0.00 C ATOM 1522 CE2 PHE A 102 5.286 1.163 2.460 1.00 0.00 C ATOM 1523 CZ PHE A 102 4.204 0.376 2.705 1.00 0.00 C ATOM 0 H PHE A 102 4.239 4.228 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 102 1.726 3.947 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.620 4.762 0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.331 5.021 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.775 2.548 1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.964 3.107 1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.092 0.225 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.281 0.785 2.642 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.341 -0.627 3.081 1.00 0.00 H new ATOM 1533 N ALA A 103 1.068 6.297 0.187 1.00 0.00 N ATOM 1534 CA ALA A 103 0.598 7.662 0.031 1.00 0.00 C ATOM 1535 C ALA A 103 1.176 8.528 1.152 1.00 0.00 C ATOM 1536 O ALA A 103 1.651 8.008 2.160 1.00 0.00 O ATOM 1537 CB ALA A 103 -0.932 7.676 0.013 1.00 0.00 C ATOM 0 H ALA A 103 0.383 5.652 0.581 1.00 0.00 H new ATOM 0 HA ALA A 103 0.939 8.079 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.285 8.701 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.292 7.071 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.311 7.267 0.950 1.00 0.00 H new