USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=18 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= -0.496 X(o=-0.5,f=-0.31) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -140:sc= -3.7! (180deg=-4.94!) USER MOD Single : A 16 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.71) USER MOD Single : A 18 THR OG1 : rot -31:sc= 0.456 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 37 THR OG1 : rot -25:sc= 0.696 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.14 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -144:sc= 0.299 USER MOD Single : A 51 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.22) 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= 0.4 USER MOD Single : A 65 MET CE :methyl -103:sc=-0.00223 (180deg=-0.745) USER MOD Single : A 67 MET CE :methyl -158:sc= -0.276 (180deg=-1.25) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 100 TYR OH : rot 100:sc= -1.44! USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0633 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -7.758 -1.147 8.753 1.00 0.00 N ATOM 67 CA LEU A 8 -6.719 -0.779 7.808 1.00 0.00 C ATOM 68 C LEU A 8 -5.514 -0.224 8.571 1.00 0.00 C ATOM 69 O LEU A 8 -4.370 -0.443 8.176 1.00 0.00 O ATOM 70 CB LEU A 8 -7.271 0.179 6.750 1.00 0.00 C ATOM 71 CG LEU A 8 -8.345 -0.393 5.823 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.189 0.724 5.205 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.724 -1.299 4.757 1.00 0.00 C ATOM 0 HA LEU A 8 -6.374 -1.657 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.684 1.051 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.440 0.531 6.138 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.016 -1.011 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.945 0.289 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.678 1.291 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.547 1.388 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.509 -1.692 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.016 -0.725 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.204 -2.126 5.240 1.00 0.00 H new ATOM 85 N HIS A 9 -5.813 0.485 9.649 1.00 0.00 N ATOM 86 CA HIS A 9 -4.769 1.073 10.471 1.00 0.00 C ATOM 87 C HIS A 9 -3.760 -0.006 10.868 1.00 0.00 C ATOM 88 O HIS A 9 -2.565 0.131 10.608 1.00 0.00 O ATOM 89 CB HIS A 9 -5.370 1.796 11.679 1.00 0.00 C ATOM 90 CG HIS A 9 -4.795 3.171 11.920 1.00 0.00 C ATOM 91 ND1 HIS A 9 -4.963 3.855 13.112 1.00 0.00 N ATOM 92 CD2 HIS A 9 -4.052 3.981 11.113 1.00 0.00 C ATOM 93 CE1 HIS A 9 -4.346 5.023 13.014 1.00 0.00 C ATOM 94 NE2 HIS A 9 -3.782 5.099 11.774 1.00 0.00 N ATOM 0 H HIS A 9 -6.763 0.666 9.973 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.233 1.830 9.898 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.447 1.883 11.538 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.213 1.187 12.569 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.737 3.751 10.106 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.298 5.782 13.781 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.242 5.886 11.414 1.00 0.00 H new ATOM 102 N ARG A 10 -4.277 -1.054 11.492 1.00 0.00 N ATOM 103 CA ARG A 10 -3.435 -2.156 11.928 1.00 0.00 C ATOM 104 C ARG A 10 -2.756 -2.812 10.725 1.00 0.00 C ATOM 105 O ARG A 10 -1.740 -3.489 10.874 1.00 0.00 O ATOM 106 CB ARG A 10 -4.252 -3.208 12.681 1.00 0.00 C ATOM 107 CG ARG A 10 -5.004 -4.118 11.708 1.00 0.00 C ATOM 108 CD ARG A 10 -4.387 -5.518 11.678 1.00 0.00 C ATOM 109 NE ARG A 10 -5.384 -6.520 12.115 1.00 0.00 N ATOM 110 CZ ARG A 10 -5.071 -7.717 12.630 1.00 0.00 C ATOM 111 NH1 ARG A 10 -3.786 -8.068 12.775 1.00 0.00 N ATOM 112 NH2 ARG A 10 -6.042 -8.563 12.998 1.00 0.00 N ATOM 0 H ARG A 10 -5.268 -1.164 11.706 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.679 -1.751 12.600 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.591 -3.807 13.308 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.961 -2.715 13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.051 -4.185 12.002 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.981 -3.685 10.708 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.043 -5.751 10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.514 -5.554 12.329 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.372 -6.285 12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.047 -7.424 12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.547 -8.979 13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.020 -8.296 12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.803 -9.474 13.390 1.00 0.00 H new ATOM 126 N ILE A 11 -3.344 -2.590 9.559 1.00 0.00 N ATOM 127 CA ILE A 11 -2.808 -3.151 8.331 1.00 0.00 C ATOM 128 C ILE A 11 -1.646 -2.284 7.843 1.00 0.00 C ATOM 129 O ILE A 11 -0.605 -2.803 7.444 1.00 0.00 O ATOM 130 CB ILE A 11 -3.919 -3.331 7.294 1.00 0.00 C ATOM 131 CG1 ILE A 11 -5.086 -4.133 7.874 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.374 -3.958 6.009 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.220 -4.266 6.855 1.00 0.00 C ATOM 0 H ILE A 11 -4.187 -2.029 9.439 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.408 -4.149 8.512 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.305 -2.346 7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.740 -5.123 8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.457 -3.643 8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.184 -4.075 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.604 -3.312 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.945 -4.934 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.037 -4.840 7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.580 -3.275 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.852 -4.778 5.966 1.00 0.00 H new ATOM 145 N VAL A 12 -1.863 -0.978 7.891 1.00 0.00 N ATOM 146 CA VAL A 12 -0.847 -0.034 7.459 1.00 0.00 C ATOM 147 C VAL A 12 0.381 -0.165 8.362 1.00 0.00 C ATOM 148 O VAL A 12 1.507 -0.264 7.875 1.00 0.00 O ATOM 149 CB VAL A 12 -1.424 1.383 7.437 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.326 2.419 7.191 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.537 1.505 6.393 1.00 0.00 C ATOM 0 H VAL A 12 -2.728 -0.551 8.223 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.528 -0.256 6.441 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.859 1.583 8.416 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.764 3.417 7.180 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.417 2.357 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.152 2.222 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.930 2.522 6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.136 1.275 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.338 0.805 6.631 1.00 0.00 H new ATOM 161 N ASP A 13 0.124 -0.161 9.662 1.00 0.00 N ATOM 162 CA ASP A 13 1.194 -0.278 10.637 1.00 0.00 C ATOM 163 C ASP A 13 2.107 -1.443 10.249 1.00 0.00 C ATOM 164 O ASP A 13 3.324 -1.285 10.174 1.00 0.00 O ATOM 165 CB ASP A 13 0.638 -0.558 12.034 1.00 0.00 C ATOM 166 CG ASP A 13 0.094 0.668 12.771 1.00 0.00 C ATOM 167 OD1 ASP A 13 0.742 1.731 12.661 1.00 0.00 O ATOM 168 OD2 ASP A 13 -0.959 0.514 13.427 1.00 0.00 O ATOM 0 H ASP A 13 -0.810 -0.078 10.062 1.00 0.00 H new ATOM 0 HA ASP A 13 1.743 0.664 10.650 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.159 -1.296 11.950 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.426 -1.007 12.639 1.00 0.00 H new ATOM 173 N LYS A 14 1.483 -2.588 10.012 1.00 0.00 N ATOM 174 CA LYS A 14 2.224 -3.779 9.634 1.00 0.00 C ATOM 175 C LYS A 14 3.055 -3.482 8.384 1.00 0.00 C ATOM 176 O LYS A 14 4.256 -3.746 8.356 1.00 0.00 O ATOM 177 CB LYS A 14 1.277 -4.971 9.475 1.00 0.00 C ATOM 178 CG LYS A 14 1.714 -6.140 10.359 1.00 0.00 C ATOM 179 CD LYS A 14 0.505 -6.823 11.002 1.00 0.00 C ATOM 180 CE LYS A 14 0.904 -7.542 12.293 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.264 -8.231 12.884 1.00 0.00 N ATOM 0 H LYS A 14 0.473 -2.716 10.075 1.00 0.00 H new ATOM 0 HA LYS A 14 2.923 -4.060 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.262 -4.671 9.737 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.256 -5.287 8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.270 -6.863 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.389 -5.781 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.264 -6.081 11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.072 -7.538 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.693 -8.265 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.309 -6.824 13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.024 -8.714 13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.005 -7.534 13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.633 -8.930 12.208 1.00 0.00 H new ATOM 195 N MET A 15 2.382 -2.938 7.381 1.00 0.00 N ATOM 196 CA MET A 15 3.043 -2.602 6.131 1.00 0.00 C ATOM 197 C MET A 15 4.173 -1.597 6.362 1.00 0.00 C ATOM 198 O MET A 15 5.104 -1.509 5.562 1.00 0.00 O ATOM 199 CB MET A 15 2.023 -2.010 5.157 1.00 0.00 C ATOM 200 CG MET A 15 0.851 -2.969 4.940 1.00 0.00 C ATOM 201 SD MET A 15 -0.626 -2.048 4.543 1.00 0.00 S ATOM 202 CE MET A 15 -0.447 -1.925 2.771 1.00 0.00 C ATOM 0 H MET A 15 1.386 -2.721 7.408 1.00 0.00 H new ATOM 0 HA MET A 15 3.472 -3.512 5.712 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.654 -1.061 5.544 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.506 -1.799 4.203 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.084 -3.664 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.687 -3.565 5.838 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.752 -0.932 2.443 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.595 -2.093 2.498 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.074 -2.675 2.289 1.00 0.00 H new ATOM 212 N HIS A 16 4.055 -0.863 7.458 1.00 0.00 N ATOM 213 CA HIS A 16 5.055 0.133 7.804 1.00 0.00 C ATOM 214 C HIS A 16 6.308 -0.563 8.341 1.00 0.00 C ATOM 215 O HIS A 16 7.358 0.063 8.481 1.00 0.00 O ATOM 216 CB HIS A 16 4.482 1.161 8.782 1.00 0.00 C ATOM 217 CG HIS A 16 3.985 2.425 8.122 1.00 0.00 C ATOM 218 ND1 HIS A 16 4.708 3.099 7.153 1.00 0.00 N ATOM 219 CD2 HIS A 16 2.831 3.129 8.301 1.00 0.00 C ATOM 220 CE1 HIS A 16 4.010 4.160 6.774 1.00 0.00 C ATOM 221 NE2 HIS A 16 2.848 4.177 7.487 1.00 0.00 N ATOM 0 H HIS A 16 3.282 -0.938 8.119 1.00 0.00 H new ATOM 0 HA HIS A 16 5.344 0.689 6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.660 0.704 9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.250 1.421 9.511 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.038 2.876 8.989 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.309 4.884 6.031 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.113 4.880 7.408 1.00 0.00 H new ATOM 229 N ASP A 17 6.155 -1.847 8.628 1.00 0.00 N ATOM 230 CA ASP A 17 7.261 -2.634 9.147 1.00 0.00 C ATOM 231 C ASP A 17 8.038 -3.245 7.980 1.00 0.00 C ATOM 232 O ASP A 17 7.538 -3.300 6.857 1.00 0.00 O ATOM 233 CB ASP A 17 6.757 -3.778 10.030 1.00 0.00 C ATOM 234 CG ASP A 17 7.629 -4.087 11.248 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.826 -4.375 11.031 1.00 0.00 O ATOM 236 OD2 ASP A 17 7.079 -4.029 12.369 1.00 0.00 O ATOM 0 H ASP A 17 5.282 -2.362 8.511 1.00 0.00 H new ATOM 0 HA ASP A 17 7.895 -1.974 9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.752 -3.536 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.677 -4.679 9.421 1.00 0.00 H new ATOM 241 N THR A 18 9.249 -3.689 8.285 1.00 0.00 N ATOM 242 CA THR A 18 10.100 -4.294 7.274 1.00 0.00 C ATOM 243 C THR A 18 10.300 -5.783 7.567 1.00 0.00 C ATOM 244 O THR A 18 10.909 -6.499 6.774 1.00 0.00 O ATOM 245 CB THR A 18 11.409 -3.504 7.224 1.00 0.00 C ATOM 246 OG1 THR A 18 12.083 -4.021 6.080 1.00 0.00 O ATOM 247 CG2 THR A 18 12.342 -3.841 8.389 1.00 0.00 C ATOM 0 H THR A 18 9.661 -3.642 9.217 1.00 0.00 H new ATOM 0 HA THR A 18 9.637 -4.248 6.288 1.00 0.00 H new ATOM 0 HB THR A 18 11.189 -2.437 7.233 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.849 -4.965 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.256 -3.253 8.305 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.846 -3.609 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.590 -4.902 8.362 1.00 0.00 H new ATOM 255 N SER A 19 9.775 -6.204 8.708 1.00 0.00 N ATOM 256 CA SER A 19 9.888 -7.594 9.116 1.00 0.00 C ATOM 257 C SER A 19 8.597 -8.345 8.781 1.00 0.00 C ATOM 258 O SER A 19 8.564 -9.141 7.844 1.00 0.00 O ATOM 259 CB SER A 19 10.194 -7.707 10.611 1.00 0.00 C ATOM 260 OG SER A 19 11.581 -7.924 10.856 1.00 0.00 O ATOM 0 H SER A 19 9.270 -5.607 9.363 1.00 0.00 H new ATOM 0 HA SER A 19 10.716 -8.044 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.875 -6.796 11.117 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.617 -8.527 11.038 1.00 0.00 H new ATOM 0 HG SER A 19 11.736 -7.989 11.821 1.00 0.00 H new ATOM 266 N THR A 20 7.566 -8.063 9.564 1.00 0.00 N ATOM 267 CA THR A 20 6.277 -8.701 9.362 1.00 0.00 C ATOM 268 C THR A 20 5.434 -7.898 8.369 1.00 0.00 C ATOM 269 O THR A 20 4.299 -8.266 8.072 1.00 0.00 O ATOM 270 CB THR A 20 5.611 -8.866 10.730 1.00 0.00 C ATOM 271 OG1 THR A 20 5.515 -7.536 11.232 1.00 0.00 O ATOM 272 CG2 THR A 20 6.514 -9.580 11.738 1.00 0.00 C ATOM 0 H THR A 20 7.598 -7.401 10.339 1.00 0.00 H new ATOM 0 HA THR A 20 6.391 -9.690 8.918 1.00 0.00 H new ATOM 0 HB THR A 20 4.681 -9.424 10.616 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.093 -7.550 12.116 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.994 -9.671 12.692 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.763 -10.573 11.364 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.429 -9.005 11.878 1.00 0.00 H new ATOM 280 N GLY A 21 6.022 -6.815 7.883 1.00 0.00 N ATOM 281 CA GLY A 21 5.340 -5.956 6.930 1.00 0.00 C ATOM 282 C GLY A 21 5.695 -6.342 5.492 1.00 0.00 C ATOM 283 O GLY A 21 6.355 -7.354 5.263 1.00 0.00 O ATOM 0 H GLY A 21 6.964 -6.512 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.262 -6.030 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.615 -4.917 7.110 1.00 0.00 H new ATOM 287 N ILE A 22 5.240 -5.515 4.562 1.00 0.00 N ATOM 288 CA ILE A 22 5.502 -5.757 3.154 1.00 0.00 C ATOM 289 C ILE A 22 6.986 -5.520 2.866 1.00 0.00 C ATOM 290 O ILE A 22 7.748 -5.172 3.767 1.00 0.00 O ATOM 291 CB ILE A 22 4.565 -4.917 2.283 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.393 -5.545 0.898 1.00 0.00 C ATOM 293 CG2 ILE A 22 5.048 -3.467 2.199 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.916 -5.606 0.504 1.00 0.00 C ATOM 0 H ILE A 22 4.692 -4.677 4.756 1.00 0.00 H new ATOM 0 HA ILE A 22 5.290 -6.796 2.901 1.00 0.00 H new ATOM 0 HB ILE A 22 3.582 -4.903 2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.946 -4.964 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.816 -6.550 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.365 -2.892 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.077 -3.035 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.047 -3.441 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.821 -6.056 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.370 -6.208 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.503 -4.598 0.484 1.00 0.00 H new ATOM 306 N ARG A 23 7.351 -5.718 1.608 1.00 0.00 N ATOM 307 CA ARG A 23 8.730 -5.530 1.191 1.00 0.00 C ATOM 308 C ARG A 23 8.784 -5.023 -0.251 1.00 0.00 C ATOM 309 O ARG A 23 8.829 -5.815 -1.190 1.00 0.00 O ATOM 310 CB ARG A 23 9.520 -6.837 1.295 1.00 0.00 C ATOM 311 CG ARG A 23 9.580 -7.328 2.743 1.00 0.00 C ATOM 312 CD ARG A 23 10.900 -8.049 3.023 1.00 0.00 C ATOM 313 NE ARG A 23 10.878 -9.399 2.418 1.00 0.00 N ATOM 314 CZ ARG A 23 11.972 -10.140 2.192 1.00 0.00 C ATOM 315 NH1 ARG A 23 13.181 -9.665 2.519 1.00 0.00 N ATOM 316 NH2 ARG A 23 11.856 -11.355 1.639 1.00 0.00 N ATOM 0 H ARG A 23 6.716 -6.007 0.864 1.00 0.00 H new ATOM 0 HA ARG A 23 9.180 -4.793 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.055 -7.598 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.531 -6.686 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.472 -6.482 3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.745 -8.001 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.732 -7.473 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.061 -8.126 4.098 1.00 0.00 H new ATOM 0 HE ARG A 23 9.973 -9.791 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.269 -8.740 2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.014 -10.228 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.935 -11.716 1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.689 -11.919 1.467 1.00 0.00 H new ATOM 330 N PRO A 24 8.778 -3.669 -0.384 1.00 0.00 N ATOM 331 CA PRO A 24 8.826 -3.047 -1.696 1.00 0.00 C ATOM 332 C PRO A 24 10.232 -3.134 -2.294 1.00 0.00 C ATOM 333 O PRO A 24 11.193 -2.646 -1.701 1.00 0.00 O ATOM 334 CB PRO A 24 8.364 -1.616 -1.470 1.00 0.00 C ATOM 335 CG PRO A 24 8.520 -1.359 0.020 1.00 0.00 C ATOM 336 CD PRO A 24 8.726 -2.700 0.706 1.00 0.00 C ATOM 0 HA PRO A 24 8.186 -3.548 -2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.963 -0.916 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.328 -1.486 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.368 -0.700 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.636 -0.860 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.647 -2.709 1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.911 -2.922 1.395 1.00 0.00 H new ATOM 529 N THR A 37 8.422 0.422 -3.835 1.00 0.00 N ATOM 530 CA THR A 37 7.160 -0.044 -4.385 1.00 0.00 C ATOM 531 C THR A 37 7.063 -1.567 -4.282 1.00 0.00 C ATOM 532 O THR A 37 8.074 -2.264 -4.359 1.00 0.00 O ATOM 533 CB THR A 37 7.050 0.476 -5.820 1.00 0.00 C ATOM 534 OG1 THR A 37 8.333 0.219 -6.383 1.00 0.00 O ATOM 535 CG2 THR A 37 6.914 1.999 -5.882 1.00 0.00 C ATOM 0 HA THR A 37 6.314 0.343 -3.817 1.00 0.00 H new ATOM 0 HB THR A 37 6.191 0.014 -6.308 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.003 0.188 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.840 2.316 -6.922 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.017 2.306 -5.344 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.788 2.461 -5.424 1.00 0.00 H new ATOM 543 N PHE A 38 5.838 -2.040 -4.110 1.00 0.00 N ATOM 544 CA PHE A 38 5.595 -3.468 -3.996 1.00 0.00 C ATOM 545 C PHE A 38 4.546 -3.929 -5.009 1.00 0.00 C ATOM 546 O PHE A 38 3.498 -3.301 -5.152 1.00 0.00 O ATOM 547 CB PHE A 38 5.068 -3.720 -2.582 1.00 0.00 C ATOM 548 CG PHE A 38 3.837 -2.886 -2.219 1.00 0.00 C ATOM 549 CD1 PHE A 38 3.991 -1.653 -1.666 1.00 0.00 C ATOM 550 CD2 PHE A 38 2.590 -3.378 -2.450 1.00 0.00 C ATOM 551 CE1 PHE A 38 2.849 -0.879 -1.329 1.00 0.00 C ATOM 552 CE2 PHE A 38 1.449 -2.604 -2.113 1.00 0.00 C ATOM 553 CZ PHE A 38 1.602 -1.371 -1.559 1.00 0.00 C ATOM 0 H PHE A 38 5.002 -1.459 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 38 6.515 -4.019 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.821 -4.777 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.862 -3.508 -1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.981 -1.263 -1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.468 -4.357 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.971 0.100 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.459 -2.994 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.733 -0.783 -1.302 1.00 0.00 H new ATOM 563 N LEU A 39 4.864 -5.022 -5.687 1.00 0.00 N ATOM 564 CA LEU A 39 3.961 -5.575 -6.683 1.00 0.00 C ATOM 565 C LEU A 39 2.542 -5.612 -6.113 1.00 0.00 C ATOM 566 O LEU A 39 2.355 -5.571 -4.898 1.00 0.00 O ATOM 567 CB LEU A 39 4.466 -6.936 -7.167 1.00 0.00 C ATOM 568 CG LEU A 39 5.926 -6.987 -7.619 1.00 0.00 C ATOM 569 CD1 LEU A 39 6.271 -8.359 -8.202 1.00 0.00 C ATOM 570 CD2 LEU A 39 6.237 -5.854 -8.599 1.00 0.00 C ATOM 0 H LEU A 39 5.734 -5.540 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 39 3.933 -4.939 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.330 -7.659 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.838 -7.260 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 39 6.560 -6.839 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.315 -8.369 -8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.113 -9.127 -7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.632 -8.560 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.282 -5.914 -8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.597 -5.946 -9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.055 -4.894 -8.115 1.00 0.00 H new ATOM 582 N GLY A 40 1.577 -5.688 -7.019 1.00 0.00 N ATOM 583 CA GLY A 40 0.180 -5.731 -6.622 1.00 0.00 C ATOM 584 C GLY A 40 -0.175 -7.089 -6.013 1.00 0.00 C ATOM 585 O GLY A 40 -1.053 -7.179 -5.156 1.00 0.00 O ATOM 0 H GLY A 40 1.736 -5.721 -8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.021 -4.940 -5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.454 -5.540 -7.488 1.00 0.00 H new ATOM 589 N SER A 41 0.524 -8.113 -6.481 1.00 0.00 N ATOM 590 CA SER A 41 0.294 -9.462 -5.993 1.00 0.00 C ATOM 591 C SER A 41 0.895 -9.624 -4.596 1.00 0.00 C ATOM 592 O SER A 41 0.323 -10.303 -3.745 1.00 0.00 O ATOM 593 CB SER A 41 0.883 -10.501 -6.949 1.00 0.00 C ATOM 594 OG SER A 41 0.392 -11.812 -6.682 1.00 0.00 O ATOM 0 H SER A 41 1.250 -8.035 -7.193 1.00 0.00 H new ATOM 0 HA SER A 41 -0.782 -9.627 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.642 -10.226 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.970 -10.497 -6.864 1.00 0.00 H new ATOM 0 HG SER A 41 0.791 -12.446 -7.314 1.00 0.00 H new ATOM 600 N SER A 42 2.042 -8.988 -4.403 1.00 0.00 N ATOM 601 CA SER A 42 2.727 -9.053 -3.123 1.00 0.00 C ATOM 602 C SER A 42 1.782 -8.621 -2.001 1.00 0.00 C ATOM 603 O SER A 42 1.679 -9.294 -0.977 1.00 0.00 O ATOM 604 CB SER A 42 3.983 -8.178 -3.126 1.00 0.00 C ATOM 605 OG SER A 42 4.188 -7.535 -1.871 1.00 0.00 O ATOM 0 H SER A 42 2.514 -8.426 -5.111 1.00 0.00 H new ATOM 0 HA SER A 42 3.035 -10.084 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.852 -8.791 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.899 -7.425 -3.910 1.00 0.00 H new ATOM 0 HG SER A 42 5.000 -6.987 -1.913 1.00 0.00 H new ATOM 611 N LEU A 43 1.115 -7.499 -2.231 1.00 0.00 N ATOM 612 CA LEU A 43 0.181 -6.969 -1.252 1.00 0.00 C ATOM 613 C LEU A 43 -0.921 -7.999 -0.994 1.00 0.00 C ATOM 614 O LEU A 43 -1.129 -8.419 0.143 1.00 0.00 O ATOM 615 CB LEU A 43 -0.345 -5.604 -1.698 1.00 0.00 C ATOM 616 CG LEU A 43 -1.512 -5.037 -0.886 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.302 -5.271 0.612 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.737 -3.558 -1.209 1.00 0.00 C ATOM 0 H LEU A 43 1.203 -6.942 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 43 0.684 -6.796 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.478 -4.890 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.656 -5.679 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.419 -5.571 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.145 -4.859 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.228 -6.341 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.383 -4.780 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.572 -3.180 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.837 -2.992 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.963 -3.447 -2.270 1.00 0.00 H new ATOM 630 N VAL A 44 -1.597 -8.376 -2.069 1.00 0.00 N ATOM 631 CA VAL A 44 -2.672 -9.349 -1.974 1.00 0.00 C ATOM 632 C VAL A 44 -2.221 -10.516 -1.093 1.00 0.00 C ATOM 633 O VAL A 44 -2.696 -10.669 0.031 1.00 0.00 O ATOM 634 CB VAL A 44 -3.105 -9.789 -3.374 1.00 0.00 C ATOM 635 CG1 VAL A 44 -4.016 -11.016 -3.305 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.786 -8.642 -4.123 1.00 0.00 C ATOM 0 H VAL A 44 -1.421 -8.025 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.549 -8.905 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.210 -10.067 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.310 -11.308 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.483 -11.839 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.906 -10.776 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.084 -8.981 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.668 -8.319 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.092 -7.807 -4.218 1.00 0.00 H new ATOM 646 N ASP A 45 -1.311 -11.309 -1.638 1.00 0.00 N ATOM 647 CA ASP A 45 -0.791 -12.458 -0.915 1.00 0.00 C ATOM 648 C ASP A 45 -0.472 -12.048 0.524 1.00 0.00 C ATOM 649 O ASP A 45 -0.860 -12.734 1.469 1.00 0.00 O ATOM 650 CB ASP A 45 0.499 -12.974 -1.556 1.00 0.00 C ATOM 651 CG ASP A 45 0.749 -14.474 -1.389 1.00 0.00 C ATOM 652 OD1 ASP A 45 0.192 -15.038 -0.422 1.00 0.00 O ATOM 653 OD2 ASP A 45 1.490 -15.023 -2.232 1.00 0.00 O ATOM 0 H ASP A 45 -0.920 -11.179 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.547 -13.243 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.476 -12.741 -2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.342 -12.431 -1.129 1.00 0.00 H new ATOM 658 N TRP A 46 0.231 -10.932 0.646 1.00 0.00 N ATOM 659 CA TRP A 46 0.606 -10.423 1.954 1.00 0.00 C ATOM 660 C TRP A 46 -0.663 -10.320 2.803 1.00 0.00 C ATOM 661 O TRP A 46 -0.818 -11.045 3.785 1.00 0.00 O ATOM 662 CB TRP A 46 1.353 -9.093 1.832 1.00 0.00 C ATOM 663 CG TRP A 46 1.867 -8.543 3.164 1.00 0.00 C ATOM 664 CD1 TRP A 46 3.024 -8.822 3.780 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.190 -7.602 4.024 1.00 0.00 C ATOM 666 NE1 TRP A 46 3.142 -8.133 4.970 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.992 -7.368 5.123 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.057 -6.971 3.879 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.634 -6.499 6.161 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.400 -6.105 4.924 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.395 -5.858 6.037 1.00 0.00 C ATOM 0 H TRP A 46 0.551 -10.366 -0.140 1.00 0.00 H new ATOM 0 HA TRP A 46 1.301 -11.103 2.447 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.197 -9.223 1.155 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.690 -8.356 1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.770 -9.501 3.394 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.929 -8.177 5.618 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.700 -7.141 3.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.279 -6.332 7.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.349 -5.593 4.861 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.059 -5.175 6.803 1.00 0.00 H new ATOM 682 N LEU A 47 -1.538 -9.414 2.394 1.00 0.00 N ATOM 683 CA LEU A 47 -2.789 -9.207 3.104 1.00 0.00 C ATOM 684 C LEU A 47 -3.330 -10.557 3.579 1.00 0.00 C ATOM 685 O LEU A 47 -3.629 -10.729 4.760 1.00 0.00 O ATOM 686 CB LEU A 47 -3.774 -8.420 2.238 1.00 0.00 C ATOM 687 CG LEU A 47 -3.596 -6.900 2.232 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.230 -6.278 0.986 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.139 -6.280 3.521 1.00 0.00 C ATOM 0 H LEU A 47 -1.406 -8.814 1.580 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.626 -8.598 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.693 -8.779 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.785 -8.646 2.576 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.529 -6.681 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.089 -5.197 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.757 -6.688 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.296 -6.505 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.000 -5.199 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.201 -6.507 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.603 -6.691 4.376 1.00 0.00 H new ATOM 701 N ILE A 48 -3.441 -11.479 2.634 1.00 0.00 N ATOM 702 CA ILE A 48 -3.941 -12.809 2.941 1.00 0.00 C ATOM 703 C ILE A 48 -3.060 -13.444 4.018 1.00 0.00 C ATOM 704 O ILE A 48 -3.555 -13.860 5.065 1.00 0.00 O ATOM 705 CB ILE A 48 -4.054 -13.646 1.666 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.951 -12.957 0.635 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.531 -15.065 1.982 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.748 -13.559 -0.757 1.00 0.00 C ATOM 0 H ILE A 48 -3.193 -11.332 1.656 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.951 -12.752 3.348 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.061 -13.730 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.995 -13.059 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.729 -11.890 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.603 -15.639 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.821 -15.546 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.510 -15.022 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.397 -13.052 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.708 -13.434 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.994 -14.621 -0.734 1.00 0.00 H new ATOM 720 N SER A 49 -1.769 -13.500 3.725 1.00 0.00 N ATOM 721 CA SER A 49 -0.814 -14.078 4.655 1.00 0.00 C ATOM 722 C SER A 49 -0.944 -13.406 6.023 1.00 0.00 C ATOM 723 O SER A 49 -0.769 -14.052 7.055 1.00 0.00 O ATOM 724 CB SER A 49 0.617 -13.943 4.130 1.00 0.00 C ATOM 725 OG SER A 49 1.583 -14.132 5.161 1.00 0.00 O ATOM 0 H SER A 49 -1.362 -13.154 2.856 1.00 0.00 H new ATOM 0 HA SER A 49 -1.035 -15.140 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.783 -14.674 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.749 -12.956 3.686 1.00 0.00 H new ATOM 0 HG SER A 49 2.484 -14.040 4.786 1.00 0.00 H new ATOM 731 N SER A 50 -1.249 -12.117 5.987 1.00 0.00 N ATOM 732 CA SER A 50 -1.404 -11.350 7.211 1.00 0.00 C ATOM 733 C SER A 50 -2.742 -11.686 7.873 1.00 0.00 C ATOM 734 O SER A 50 -3.036 -11.204 8.966 1.00 0.00 O ATOM 735 CB SER A 50 -1.310 -9.848 6.936 1.00 0.00 C ATOM 736 OG SER A 50 -0.129 -9.276 7.493 1.00 0.00 O ATOM 0 H SER A 50 -1.393 -11.585 5.129 1.00 0.00 H new ATOM 0 HA SER A 50 -0.593 -11.619 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.324 -9.675 5.860 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.185 -9.348 7.351 1.00 0.00 H new ATOM 0 HG SER A 50 -0.326 -8.374 7.822 1.00 0.00 H new ATOM 742 N ASN A 51 -3.517 -12.509 7.183 1.00 0.00 N ATOM 743 CA ASN A 51 -4.817 -12.915 7.690 1.00 0.00 C ATOM 744 C ASN A 51 -5.792 -11.741 7.579 1.00 0.00 C ATOM 745 O ASN A 51 -6.811 -11.709 8.267 1.00 0.00 O ATOM 746 CB ASN A 51 -4.731 -13.321 9.163 1.00 0.00 C ATOM 747 CG ASN A 51 -5.935 -14.174 9.567 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.149 -15.267 9.070 1.00 0.00 O ATOM 749 ND2 ASN A 51 -6.707 -13.615 10.495 1.00 0.00 N ATOM 0 H ASN A 51 -3.270 -12.906 6.277 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.158 -13.766 7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.811 -13.879 9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.686 -12.429 9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.536 -14.105 10.832 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.470 -12.696 10.869 1.00 0.00 H new ATOM 756 N PHE A 52 -5.444 -10.805 6.708 1.00 0.00 N ATOM 757 CA PHE A 52 -6.276 -9.632 6.499 1.00 0.00 C ATOM 758 C PHE A 52 -7.283 -9.869 5.371 1.00 0.00 C ATOM 759 O PHE A 52 -8.269 -9.143 5.253 1.00 0.00 O ATOM 760 CB PHE A 52 -5.343 -8.487 6.100 1.00 0.00 C ATOM 761 CG PHE A 52 -4.347 -8.088 7.191 1.00 0.00 C ATOM 762 CD1 PHE A 52 -4.541 -8.501 8.473 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.268 -7.321 6.880 1.00 0.00 C ATOM 764 CE1 PHE A 52 -3.616 -8.130 9.485 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.344 -6.951 7.892 1.00 0.00 C ATOM 766 CZ PHE A 52 -2.537 -7.363 9.174 1.00 0.00 C ATOM 0 H PHE A 52 -4.598 -10.835 6.139 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.834 -9.405 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.791 -8.777 5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.944 -7.617 5.835 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.398 -9.110 8.721 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.114 -6.993 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.770 -8.457 10.503 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.487 -6.342 7.644 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.834 -7.081 9.944 1.00 0.00 H new ATOM 776 N ALA A 53 -7.000 -10.887 4.572 1.00 0.00 N ATOM 777 CA ALA A 53 -7.869 -11.228 3.459 1.00 0.00 C ATOM 778 C ALA A 53 -8.093 -12.741 3.437 1.00 0.00 C ATOM 779 O ALA A 53 -7.251 -13.504 3.909 1.00 0.00 O ATOM 780 CB ALA A 53 -7.256 -10.711 2.156 1.00 0.00 C ATOM 0 H ALA A 53 -6.181 -11.487 4.673 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.843 -10.752 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.908 -10.967 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.144 -9.628 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.278 -11.169 2.007 1.00 0.00 H new ATOM 786 N ALA A 54 -9.232 -13.131 2.884 1.00 0.00 N ATOM 787 CA ALA A 54 -9.577 -14.540 2.795 1.00 0.00 C ATOM 788 C ALA A 54 -9.049 -15.107 1.475 1.00 0.00 C ATOM 789 O ALA A 54 -8.482 -16.199 1.448 1.00 0.00 O ATOM 790 CB ALA A 54 -11.092 -14.705 2.935 1.00 0.00 C ATOM 0 H ALA A 54 -9.928 -12.496 2.493 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.112 -15.101 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.351 -15.762 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.413 -14.313 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.593 -14.158 2.136 1.00 0.00 H new ATOM 796 N SER A 55 -9.254 -14.341 0.414 1.00 0.00 N ATOM 797 CA SER A 55 -8.805 -14.753 -0.905 1.00 0.00 C ATOM 798 C SER A 55 -8.216 -13.557 -1.655 1.00 0.00 C ATOM 799 O SER A 55 -8.435 -12.409 -1.270 1.00 0.00 O ATOM 800 CB SER A 55 -9.951 -15.371 -1.708 1.00 0.00 C ATOM 801 OG SER A 55 -10.915 -14.397 -2.100 1.00 0.00 O ATOM 0 H SER A 55 -9.725 -13.437 0.441 1.00 0.00 H new ATOM 0 HA SER A 55 -8.033 -15.512 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.549 -15.861 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.437 -16.142 -1.111 1.00 0.00 H new ATOM 0 HG SER A 55 -11.629 -14.831 -2.612 1.00 0.00 H new ATOM 807 N ARG A 56 -7.481 -13.866 -2.713 1.00 0.00 N ATOM 808 CA ARG A 56 -6.858 -12.831 -3.520 1.00 0.00 C ATOM 809 C ARG A 56 -7.817 -11.653 -3.704 1.00 0.00 C ATOM 810 O ARG A 56 -7.385 -10.507 -3.816 1.00 0.00 O ATOM 811 CB ARG A 56 -6.456 -13.372 -4.894 1.00 0.00 C ATOM 812 CG ARG A 56 -5.377 -14.448 -4.765 1.00 0.00 C ATOM 813 CD ARG A 56 -3.986 -13.864 -5.023 1.00 0.00 C ATOM 814 NE ARG A 56 -3.273 -14.680 -6.031 1.00 0.00 N ATOM 815 CZ ARG A 56 -2.870 -15.941 -5.828 1.00 0.00 C ATOM 816 NH1 ARG A 56 -3.108 -16.539 -4.652 1.00 0.00 N ATOM 817 NH2 ARG A 56 -2.230 -16.605 -6.800 1.00 0.00 N ATOM 0 H ARG A 56 -7.303 -14.819 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.962 -12.496 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.330 -13.787 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.089 -12.556 -5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.412 -14.886 -3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.574 -15.253 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.074 -12.835 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.416 -13.838 -4.095 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.076 -14.255 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.596 -16.034 -3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.801 -17.499 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.050 -16.150 -7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.923 -17.565 -6.645 1.00 0.00 H new ATOM 831 N LEU A 57 -9.102 -11.976 -3.730 1.00 0.00 N ATOM 832 CA LEU A 57 -10.126 -10.959 -3.898 1.00 0.00 C ATOM 833 C LEU A 57 -10.100 -10.012 -2.697 1.00 0.00 C ATOM 834 O LEU A 57 -9.784 -8.832 -2.839 1.00 0.00 O ATOM 835 CB LEU A 57 -11.491 -11.607 -4.141 1.00 0.00 C ATOM 836 CG LEU A 57 -12.393 -10.910 -5.161 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.128 -9.728 -4.525 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.598 -10.492 -6.400 1.00 0.00 C ATOM 0 H LEU A 57 -9.457 -12.928 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.923 -10.357 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.330 -12.634 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.022 -11.656 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.151 -11.621 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.762 -9.250 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.744 -10.084 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.402 -9.007 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.263 -9.999 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.804 -9.804 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.160 -11.375 -6.866 1.00 0.00 H new ATOM 850 N GLU A 58 -10.438 -10.564 -1.541 1.00 0.00 N ATOM 851 CA GLU A 58 -10.457 -9.783 -0.316 1.00 0.00 C ATOM 852 C GLU A 58 -9.212 -8.898 -0.231 1.00 0.00 C ATOM 853 O GLU A 58 -9.297 -7.739 0.173 1.00 0.00 O ATOM 854 CB GLU A 58 -10.569 -10.690 0.911 1.00 0.00 C ATOM 855 CG GLU A 58 -12.011 -11.158 1.117 1.00 0.00 C ATOM 856 CD GLU A 58 -12.982 -9.976 1.078 1.00 0.00 C ATOM 857 OE1 GLU A 58 -13.195 -9.381 2.157 1.00 0.00 O ATOM 858 OE2 GLU A 58 -13.488 -9.694 -0.029 1.00 0.00 O ATOM 0 H GLU A 58 -10.701 -11.543 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.336 -9.139 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.916 -11.554 0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.227 -10.154 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.278 -11.878 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.097 -11.672 2.074 1.00 0.00 H new ATOM 865 N ALA A 59 -8.085 -9.477 -0.619 1.00 0.00 N ATOM 866 CA ALA A 59 -6.825 -8.755 -0.592 1.00 0.00 C ATOM 867 C ALA A 59 -6.887 -7.592 -1.584 1.00 0.00 C ATOM 868 O ALA A 59 -6.436 -6.488 -1.281 1.00 0.00 O ATOM 869 CB ALA A 59 -5.677 -9.719 -0.896 1.00 0.00 C ATOM 0 H ALA A 59 -8.019 -10.438 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.645 -8.335 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.732 -9.177 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.658 -10.510 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.822 -10.158 -1.883 1.00 0.00 H new ATOM 875 N VAL A 60 -7.450 -7.878 -2.749 1.00 0.00 N ATOM 876 CA VAL A 60 -7.577 -6.870 -3.787 1.00 0.00 C ATOM 877 C VAL A 60 -8.399 -5.695 -3.253 1.00 0.00 C ATOM 878 O VAL A 60 -8.060 -4.537 -3.493 1.00 0.00 O ATOM 879 CB VAL A 60 -8.175 -7.492 -5.050 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.717 -6.413 -5.989 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.150 -8.376 -5.764 1.00 0.00 C ATOM 0 H VAL A 60 -7.823 -8.794 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.597 -6.482 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.010 -8.124 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.136 -6.882 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.494 -5.843 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.908 -5.743 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.601 -8.806 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.285 -7.775 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.833 -9.177 -5.097 1.00 0.00 H new ATOM 891 N THR A 61 -9.462 -6.034 -2.539 1.00 0.00 N ATOM 892 CA THR A 61 -10.335 -5.021 -1.969 1.00 0.00 C ATOM 893 C THR A 61 -9.637 -4.307 -0.810 1.00 0.00 C ATOM 894 O THR A 61 -9.686 -3.082 -0.711 1.00 0.00 O ATOM 895 CB THR A 61 -11.645 -5.700 -1.565 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.654 -4.792 -1.999 1.00 0.00 O ATOM 897 CG2 THR A 61 -11.828 -5.763 -0.047 1.00 0.00 C ATOM 0 H THR A 61 -9.739 -6.996 -2.342 1.00 0.00 H new ATOM 0 HA THR A 61 -10.567 -4.243 -2.696 1.00 0.00 H new ATOM 0 HB THR A 61 -11.673 -6.709 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.537 -5.155 -1.778 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.773 -6.254 0.185 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.007 -6.328 0.395 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.834 -4.752 0.361 1.00 0.00 H new ATOM 905 N LEU A 62 -9.003 -5.104 0.038 1.00 0.00 N ATOM 906 CA LEU A 62 -8.296 -4.563 1.187 1.00 0.00 C ATOM 907 C LEU A 62 -7.243 -3.562 0.707 1.00 0.00 C ATOM 908 O LEU A 62 -6.923 -2.607 1.413 1.00 0.00 O ATOM 909 CB LEU A 62 -7.724 -5.694 2.044 1.00 0.00 C ATOM 910 CG LEU A 62 -8.464 -5.983 3.352 1.00 0.00 C ATOM 911 CD1 LEU A 62 -9.043 -7.400 3.353 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.559 -5.734 4.561 1.00 0.00 C ATOM 0 H LEU A 62 -8.964 -6.120 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.982 -4.018 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.713 -6.606 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.687 -5.455 2.281 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.303 -5.291 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.564 -7.580 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.743 -7.508 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.235 -8.123 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.109 -5.947 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.686 -6.385 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.236 -4.693 4.565 1.00 0.00 H new ATOM 924 N ALA A 63 -6.733 -3.816 -0.489 1.00 0.00 N ATOM 925 CA ALA A 63 -5.723 -2.949 -1.071 1.00 0.00 C ATOM 926 C ALA A 63 -6.367 -1.621 -1.474 1.00 0.00 C ATOM 927 O ALA A 63 -5.957 -0.560 -1.005 1.00 0.00 O ATOM 928 CB ALA A 63 -5.061 -3.658 -2.254 1.00 0.00 C ATOM 0 H ALA A 63 -7.000 -4.610 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.941 -2.729 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.303 -3.007 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.593 -4.580 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.815 -3.892 -3.006 1.00 0.00 H new ATOM 934 N SER A 64 -7.367 -1.723 -2.338 1.00 0.00 N ATOM 935 CA SER A 64 -8.072 -0.543 -2.809 1.00 0.00 C ATOM 936 C SER A 64 -8.540 0.297 -1.619 1.00 0.00 C ATOM 937 O SER A 64 -8.679 1.514 -1.730 1.00 0.00 O ATOM 938 CB SER A 64 -9.263 -0.927 -3.689 1.00 0.00 C ATOM 939 OG SER A 64 -10.442 -1.156 -2.922 1.00 0.00 O ATOM 0 H SER A 64 -7.705 -2.604 -2.724 1.00 0.00 H new ATOM 0 HA SER A 64 -7.384 0.047 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.450 -0.134 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.020 -1.825 -4.257 1.00 0.00 H new ATOM 0 HG SER A 64 -10.238 -1.766 -2.183 1.00 0.00 H new ATOM 945 N MET A 65 -8.771 -0.387 -0.508 1.00 0.00 N ATOM 946 CA MET A 65 -9.221 0.281 0.702 1.00 0.00 C ATOM 947 C MET A 65 -8.120 1.173 1.277 1.00 0.00 C ATOM 948 O MET A 65 -8.384 2.299 1.697 1.00 0.00 O ATOM 949 CB MET A 65 -9.627 -0.765 1.742 1.00 0.00 C ATOM 950 CG MET A 65 -10.991 -1.371 1.407 1.00 0.00 C ATOM 951 SD MET A 65 -12.049 -1.324 2.845 1.00 0.00 S ATOM 952 CE MET A 65 -11.404 -2.720 3.750 1.00 0.00 C ATOM 0 H MET A 65 -8.655 -1.397 -0.420 1.00 0.00 H new ATOM 0 HA MET A 65 -10.077 0.908 0.452 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.875 -1.553 1.783 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.662 -0.306 2.730 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.452 -0.819 0.588 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.868 -2.400 1.069 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.080 -3.568 3.641 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.422 -2.986 3.358 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.315 -2.460 4.805 1.00 0.00 H new ATOM 962 N LEU A 66 -6.908 0.637 1.280 1.00 0.00 N ATOM 963 CA LEU A 66 -5.766 1.371 1.797 1.00 0.00 C ATOM 964 C LEU A 66 -5.521 2.605 0.926 1.00 0.00 C ATOM 965 O LEU A 66 -5.359 3.710 1.442 1.00 0.00 O ATOM 966 CB LEU A 66 -4.549 0.452 1.917 1.00 0.00 C ATOM 967 CG LEU A 66 -4.750 -0.825 2.737 1.00 0.00 C ATOM 968 CD1 LEU A 66 -3.840 -1.947 2.236 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.557 -0.554 4.230 1.00 0.00 C ATOM 0 H LEU A 66 -6.692 -0.297 0.932 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.968 1.728 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.232 0.169 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.732 1.020 2.361 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.778 -1.160 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.003 -2.843 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.069 -2.163 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.799 -1.637 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.705 -1.478 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.547 -0.182 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.280 0.191 4.561 1.00 0.00 H new ATOM 981 N MET A 67 -5.502 2.375 -0.378 1.00 0.00 N ATOM 982 CA MET A 67 -5.280 3.454 -1.325 1.00 0.00 C ATOM 983 C MET A 67 -6.262 4.603 -1.088 1.00 0.00 C ATOM 984 O MET A 67 -5.879 5.771 -1.129 1.00 0.00 O ATOM 985 CB MET A 67 -5.448 2.926 -2.751 1.00 0.00 C ATOM 986 CG MET A 67 -4.217 2.129 -3.189 1.00 0.00 C ATOM 987 SD MET A 67 -4.025 2.226 -4.961 1.00 0.00 S ATOM 988 CE MET A 67 -5.717 1.971 -5.470 1.00 0.00 C ATOM 0 H MET A 67 -5.637 1.457 -0.801 1.00 0.00 H new ATOM 0 HA MET A 67 -4.267 3.831 -1.185 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.334 2.293 -2.806 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.608 3.760 -3.435 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.327 2.520 -2.697 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.320 1.088 -2.883 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.737 1.616 -6.500 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.184 1.230 -4.821 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.264 2.911 -5.400 1.00 0.00 H new ATOM 998 N GLU A 68 -7.510 4.231 -0.844 1.00 0.00 N ATOM 999 CA GLU A 68 -8.550 5.216 -0.600 1.00 0.00 C ATOM 1000 C GLU A 68 -8.249 6.001 0.678 1.00 0.00 C ATOM 1001 O GLU A 68 -8.324 7.229 0.689 1.00 0.00 O ATOM 1002 CB GLU A 68 -9.927 4.552 -0.523 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.657 4.648 -1.865 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.943 5.465 -1.732 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -11.839 6.612 -1.246 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -13.002 4.925 -2.119 1.00 0.00 O ATOM 0 H GLU A 68 -7.824 3.261 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.565 5.914 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.815 3.505 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.523 5.031 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.004 5.109 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.893 3.647 -2.227 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.913 5.260 1.724 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.599 5.872 3.004 1.00 0.00 C ATOM 1015 C GLU A 69 -6.415 6.830 2.859 1.00 0.00 C ATOM 1016 O GLU A 69 -6.139 7.622 3.759 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.316 4.807 4.066 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.603 4.383 4.775 1.00 0.00 C ATOM 1019 CD GLU A 69 -8.900 5.297 5.966 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -7.924 5.864 6.503 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -10.096 5.407 6.312 1.00 0.00 O ATOM 0 H GLU A 69 -7.851 4.242 1.711 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.466 6.445 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.851 3.939 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.606 5.196 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.436 4.413 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.511 3.352 5.117 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.748 6.727 1.719 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.600 7.574 1.445 1.00 0.00 C ATOM 1030 C ASN A 70 -3.343 6.929 2.032 1.00 0.00 C ATOM 1031 O ASN A 70 -2.433 7.627 2.477 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.767 8.953 2.087 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.069 10.032 1.257 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -2.892 10.311 1.418 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -4.857 10.622 0.363 1.00 0.00 N ATOM 0 H ASN A 70 -5.981 6.070 0.974 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.515 7.687 0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.827 9.189 2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.354 8.941 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.485 11.356 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.834 10.341 0.280 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.332 5.604 2.012 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.202 4.857 2.537 1.00 0.00 C ATOM 1044 C PHE A 71 -1.297 4.365 1.405 1.00 0.00 C ATOM 1045 O PHE A 71 -0.118 4.090 1.623 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.772 3.648 3.281 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.458 3.997 4.603 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -2.854 4.843 5.480 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.672 3.462 4.901 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.491 5.168 6.707 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.309 3.786 6.128 1.00 0.00 C ATOM 1052 CZ PHE A 71 -4.705 4.632 7.005 1.00 0.00 C ATOM 0 H PHE A 71 -4.088 5.029 1.640 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.607 5.493 3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.489 3.141 2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.965 2.942 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.890 5.268 5.243 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.152 2.791 4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.012 5.840 7.403 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.273 3.361 6.365 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.189 4.878 7.938 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.884 4.268 0.221 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.146 3.814 -0.945 1.00 0.00 C ATOM 1064 C LEU A 72 -1.742 4.453 -2.201 1.00 0.00 C ATOM 1065 O LEU A 72 -2.773 5.120 -2.133 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.106 2.285 -0.992 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.214 1.562 -0.224 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.854 0.470 -1.083 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.692 1.013 1.105 1.00 0.00 C ATOM 0 H LEU A 72 -2.862 4.496 0.044 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.106 4.135 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.150 1.972 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.144 1.954 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.994 2.286 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.638 -0.028 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.285 0.917 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.096 -0.258 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.500 0.504 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.882 0.309 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.322 1.835 1.718 1.00 0.00 H new ATOM 1081 N ARG A 73 -1.067 4.226 -3.318 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.517 4.771 -4.588 1.00 0.00 C ATOM 1083 C ARG A 73 -1.102 3.850 -5.738 1.00 0.00 C ATOM 1084 O ARG A 73 -0.078 3.174 -5.657 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.936 6.166 -4.825 1.00 0.00 C ATOM 1086 CG ARG A 73 0.574 6.180 -4.579 1.00 0.00 C ATOM 1087 CD ARG A 73 0.894 6.640 -3.155 1.00 0.00 C ATOM 1088 NE ARG A 73 2.163 7.400 -3.142 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.322 8.607 -3.702 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.292 9.198 -4.324 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.510 9.223 -3.641 1.00 0.00 N ATOM 0 H ARG A 73 -0.212 3.672 -3.370 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.604 4.844 -4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.144 6.482 -5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.422 6.884 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.982 5.183 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.057 6.844 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.084 7.262 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.971 5.777 -2.494 1.00 0.00 H new ATOM 0 HE ARG A 73 2.968 6.979 -2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.387 8.729 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.413 10.117 -4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.294 8.773 -3.168 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.631 10.142 -4.067 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.940 3.855 -6.809 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.670 3.029 -7.973 1.00 0.00 C ATOM 1107 C PRO A 74 -0.537 3.620 -8.814 1.00 0.00 C ATOM 1108 O PRO A 74 -0.733 4.605 -9.523 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.991 2.961 -8.722 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.824 4.123 -8.204 1.00 0.00 C ATOM 1111 CD PRO A 74 -3.161 4.644 -6.939 1.00 0.00 C ATOM 0 HA PRO A 74 -1.325 2.030 -7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.835 3.041 -9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.493 2.010 -8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.888 4.911 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.843 3.799 -7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.938 5.708 -7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.809 4.517 -6.071 1.00 0.00 H new ATOM 1361 N PHE A 92 -7.739 -2.572 -8.433 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.437 -3.018 -7.968 1.00 0.00 C ATOM 1363 C PHE A 92 -6.129 -4.429 -8.474 1.00 0.00 C ATOM 1364 O PHE A 92 -6.728 -5.401 -8.017 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.492 -3.038 -6.439 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.157 -3.379 -5.773 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -4.719 -4.667 -5.747 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.408 -2.395 -5.207 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.481 -4.983 -5.129 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.170 -2.711 -4.590 1.00 0.00 C ATOM 1371 CZ PHE A 92 -2.732 -3.999 -4.564 1.00 0.00 C ATOM 0 HA PHE A 92 -5.660 -2.350 -8.339 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.824 -2.062 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.241 -3.764 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.313 -5.449 -6.197 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.756 -1.373 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.134 -6.005 -5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.575 -1.929 -4.141 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.790 -4.240 -4.095 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.194 -4.496 -9.410 1.00 0.00 N ATOM 1382 CA LEU A 93 -4.798 -5.771 -9.983 1.00 0.00 C ATOM 1383 C LEU A 93 -4.057 -6.593 -8.925 1.00 0.00 C ATOM 1384 O LEU A 93 -3.616 -6.053 -7.912 1.00 0.00 O ATOM 1385 CB LEU A 93 -3.995 -5.556 -11.267 1.00 0.00 C ATOM 1386 CG LEU A 93 -4.590 -4.566 -12.272 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -3.531 -4.095 -13.269 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -5.812 -5.164 -12.973 1.00 0.00 C ATOM 0 H LEU A 93 -4.699 -3.687 -9.786 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.677 -6.345 -10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.997 -5.212 -10.995 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.875 -6.519 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.931 -3.687 -11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.980 -3.393 -13.972 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.720 -3.603 -12.733 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.138 -4.953 -13.815 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.215 -4.440 -13.681 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.519 -6.069 -13.506 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.573 -5.409 -12.232 1.00 0.00 H new ATOM 1400 N ASP A 94 -3.945 -7.884 -9.198 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.265 -8.785 -8.282 1.00 0.00 C ATOM 1402 C ASP A 94 -2.248 -9.623 -9.060 1.00 0.00 C ATOM 1403 O ASP A 94 -2.432 -10.827 -9.231 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.255 -9.743 -7.616 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.620 -10.952 -6.926 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.942 -10.728 -5.900 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -3.828 -12.072 -7.440 1.00 0.00 O ATOM 0 H ASP A 94 -4.313 -8.328 -10.039 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.775 -8.182 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.836 -9.187 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.955 -10.101 -8.371 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.197 -8.953 -9.509 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.150 -9.621 -10.264 1.00 0.00 C ATOM 1414 C ASP A 95 1.198 -8.975 -9.939 1.00 0.00 C ATOM 1415 O ASP A 95 1.265 -8.029 -9.156 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.387 -9.488 -11.770 1.00 0.00 C ATOM 1417 CG ASP A 95 -0.580 -10.811 -12.513 1.00 0.00 C ATOM 1418 OD1 ASP A 95 0.385 -11.606 -12.516 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -1.688 -10.998 -13.061 1.00 0.00 O ATOM 0 H ASP A 95 -1.048 -7.954 -9.365 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.157 -10.676 -9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.268 -8.867 -11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.459 -8.961 -12.211 1.00 0.00 H new ATOM 1424 N SER A 96 2.240 -9.512 -10.557 1.00 0.00 N ATOM 1425 CA SER A 96 3.583 -9.000 -10.343 1.00 0.00 C ATOM 1426 C SER A 96 3.724 -7.619 -10.985 1.00 0.00 C ATOM 1427 O SER A 96 4.243 -6.692 -10.364 1.00 0.00 O ATOM 1428 CB SER A 96 4.634 -9.958 -10.907 1.00 0.00 C ATOM 1429 OG SER A 96 4.376 -11.311 -10.538 1.00 0.00 O ATOM 0 H SER A 96 2.181 -10.297 -11.206 1.00 0.00 H new ATOM 0 HA SER A 96 3.749 -8.913 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.653 -9.876 -11.994 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.621 -9.666 -10.548 1.00 0.00 H new ATOM 0 HG SER A 96 5.068 -11.891 -10.919 1.00 0.00 H new ATOM 1435 N THR A 97 3.255 -7.525 -12.220 1.00 0.00 N ATOM 1436 CA THR A 97 3.323 -6.272 -12.953 1.00 0.00 C ATOM 1437 C THR A 97 2.771 -5.126 -12.103 1.00 0.00 C ATOM 1438 O THR A 97 3.522 -4.257 -11.664 1.00 0.00 O ATOM 1439 CB THR A 97 2.580 -6.458 -14.278 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.321 -7.006 -13.896 1.00 0.00 O ATOM 1441 CG2 THR A 97 3.208 -7.544 -15.154 1.00 0.00 C ATOM 0 H THR A 97 2.826 -8.296 -12.732 1.00 0.00 H new ATOM 0 HA THR A 97 4.355 -6.001 -13.177 1.00 0.00 H new ATOM 0 HB THR A 97 2.568 -5.514 -14.823 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.774 -7.157 -14.695 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.643 -7.635 -16.081 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.239 -7.276 -15.383 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.190 -8.496 -14.623 1.00 0.00 H new ATOM 1449 N ALA A 98 1.462 -5.162 -11.897 1.00 0.00 N ATOM 1450 CA ALA A 98 0.801 -4.137 -11.107 1.00 0.00 C ATOM 1451 C ALA A 98 1.680 -3.778 -9.907 1.00 0.00 C ATOM 1452 O ALA A 98 2.193 -4.662 -9.223 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.585 -4.630 -10.688 1.00 0.00 C ATOM 0 H ALA A 98 0.842 -5.884 -12.263 1.00 0.00 H new ATOM 0 HA ALA A 98 0.660 -3.230 -11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.081 -3.861 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.179 -4.843 -11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.484 -5.538 -10.093 1.00 0.00 H new ATOM 1459 N LEU A 99 1.825 -2.480 -9.687 1.00 0.00 N ATOM 1460 CA LEU A 99 2.632 -1.993 -8.582 1.00 0.00 C ATOM 1461 C LEU A 99 1.838 -0.946 -7.798 1.00 0.00 C ATOM 1462 O LEU A 99 0.880 -0.374 -8.315 1.00 0.00 O ATOM 1463 CB LEU A 99 3.985 -1.487 -9.088 1.00 0.00 C ATOM 1464 CG LEU A 99 5.155 -2.466 -8.966 1.00 0.00 C ATOM 1465 CD1 LEU A 99 6.139 -2.290 -10.124 1.00 0.00 C ATOM 1466 CD2 LEU A 99 5.841 -2.333 -7.605 1.00 0.00 C ATOM 0 H LEU A 99 1.397 -1.750 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 99 2.860 -2.804 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.878 -1.209 -10.136 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.239 -0.579 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 99 4.761 -3.480 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.961 -2.997 -10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.626 -2.474 -11.068 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.532 -1.273 -10.116 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.669 -3.040 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.221 -1.318 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.123 -2.546 -6.813 1.00 0.00 H new ATOM 1478 N TYR A 100 2.267 -0.727 -6.563 1.00 0.00 N ATOM 1479 CA TYR A 100 1.607 0.241 -5.703 1.00 0.00 C ATOM 1480 C TYR A 100 2.573 0.783 -4.647 1.00 0.00 C ATOM 1481 O TYR A 100 3.339 0.025 -4.054 1.00 0.00 O ATOM 1482 CB TYR A 100 0.478 -0.517 -5.004 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.599 -1.045 -5.954 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -1.666 -0.243 -6.302 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -0.503 -2.324 -6.462 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -2.680 -0.740 -7.196 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -1.516 -2.822 -7.357 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.555 -2.005 -7.679 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.512 -2.474 -8.524 1.00 0.00 O ATOM 0 H TYR A 100 3.063 -1.203 -6.138 1.00 0.00 H new ATOM 0 HA TYR A 100 1.243 1.088 -6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.904 -1.355 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.011 0.142 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.741 0.758 -5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.332 -2.952 -6.189 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.520 -0.122 -7.476 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.452 -3.821 -7.763 1.00 0.00 H new ATOM 0 HH TYR A 100 -3.193 -2.408 -9.448 1.00 0.00 H new ATOM 1499 N THR A 101 2.505 2.090 -4.445 1.00 0.00 N ATOM 1500 CA THR A 101 3.363 2.742 -3.470 1.00 0.00 C ATOM 1501 C THR A 101 2.523 3.382 -2.363 1.00 0.00 C ATOM 1502 O THR A 101 1.312 3.540 -2.510 1.00 0.00 O ATOM 1503 CB THR A 101 4.249 3.743 -4.215 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.223 4.130 -3.250 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.514 5.043 -4.545 1.00 0.00 C ATOM 0 H THR A 101 1.869 2.716 -4.940 1.00 0.00 H new ATOM 0 HA THR A 101 4.010 2.022 -2.969 1.00 0.00 H new ATOM 0 HB THR A 101 4.614 3.289 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.840 4.778 -3.650 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.188 5.718 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.652 4.824 -5.175 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.178 5.515 -3.622 1.00 0.00 H new ATOM 1513 N PHE A 102 3.199 3.732 -1.279 1.00 0.00 N ATOM 1514 CA PHE A 102 2.530 4.350 -0.147 1.00 0.00 C ATOM 1515 C PHE A 102 2.241 5.827 -0.421 1.00 0.00 C ATOM 1516 O PHE A 102 3.100 6.549 -0.926 1.00 0.00 O ATOM 1517 CB PHE A 102 3.481 4.242 1.048 1.00 0.00 C ATOM 1518 CG PHE A 102 3.633 2.822 1.596 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.532 2.113 1.962 1.00 0.00 C ATOM 1520 CD2 PHE A 102 4.869 2.268 1.716 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.673 0.795 2.471 1.00 0.00 C ATOM 1522 CE2 PHE A 102 5.011 0.950 2.224 1.00 0.00 C ATOM 1523 CZ PHE A 102 3.910 0.241 2.591 1.00 0.00 C ATOM 0 H PHE A 102 4.203 3.599 -1.160 1.00 0.00 H new ATOM 0 HA PHE A 102 1.580 3.850 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.462 4.614 0.753 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.121 4.892 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.550 2.552 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.743 2.831 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.799 0.232 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.993 0.511 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.017 -0.762 2.978 1.00 0.00 H new ATOM 1533 N ALA A 103 1.028 6.233 -0.076 1.00 0.00 N ATOM 1534 CA ALA A 103 0.614 7.611 -0.278 1.00 0.00 C ATOM 1535 C ALA A 103 1.136 8.471 0.875 1.00 0.00 C ATOM 1536 O ALA A 103 0.923 9.682 0.896 1.00 0.00 O ATOM 1537 CB ALA A 103 -0.909 7.673 -0.409 1.00 0.00 C ATOM 0 H ALA A 103 0.318 5.632 0.342 1.00 0.00 H new ATOM 0 HA ALA A 103 1.037 8.007 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.219 8.707 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.226 7.071 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.368 7.286 0.500 1.00 0.00 H new