USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 TYR OH : rot -48:sc= -0.434 USER MOD Set 1.2: A 23 GLN :FLIP amide:sc= 0.276 F(o=-3.3!,f=-0.16) USER MOD Single : A 3 MET CE :methyl -155:sc= -0.449 (180deg=-1.83!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.401 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0872 F(o=-1.5!,f=-0.087) USER MOD Single : A 20 MET CE :methyl 167:sc= -14.3! (180deg=-16!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 58:sc= 0.462! USER MOD Single : A 35 SER OG : rot 120:sc= 0.851 USER MOD Single : A 43 SER OG : rot 78:sc= 1.21 USER MOD Single : A 44 GLN : amide:sc= -4.72! C(o=-4.7!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 2.367 -0.642 -3.833 1.00 0.00 N ATOM 19 CA LEU A 2 2.641 -1.996 -4.304 1.00 0.00 C ATOM 20 C LEU A 2 4.021 -2.125 -4.942 1.00 0.00 C ATOM 21 O LEU A 2 4.427 -1.285 -5.747 1.00 0.00 O ATOM 22 CB LEU A 2 1.593 -2.376 -5.329 1.00 0.00 C ATOM 23 CG LEU A 2 1.508 -3.882 -5.423 1.00 0.00 C ATOM 24 CD1 LEU A 2 0.228 -4.338 -4.735 1.00 0.00 C ATOM 25 CD2 LEU A 2 1.501 -4.261 -6.897 1.00 0.00 C ATOM 0 HA LEU A 2 2.613 -2.659 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.625 -1.963 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.848 -1.953 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 2 2.355 -4.363 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.150 -5.424 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.248 -4.031 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.632 -3.886 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.440 -5.345 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.641 -3.804 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.417 -3.906 -7.368 1.00 0.00 H new ATOM 37 N MET A 3 4.716 -3.205 -4.608 1.00 0.00 N ATOM 38 CA MET A 3 6.025 -3.469 -5.178 1.00 0.00 C ATOM 39 C MET A 3 5.856 -4.392 -6.382 1.00 0.00 C ATOM 40 O MET A 3 5.053 -5.324 -6.338 1.00 0.00 O ATOM 41 CB MET A 3 6.930 -4.121 -4.129 1.00 0.00 C ATOM 42 CG MET A 3 8.395 -3.840 -4.468 1.00 0.00 C ATOM 43 SD MET A 3 9.167 -5.356 -5.087 1.00 0.00 S ATOM 44 CE MET A 3 10.594 -4.583 -5.892 1.00 0.00 C ATOM 0 H MET A 3 4.393 -3.910 -3.946 1.00 0.00 H new ATOM 0 HA MET A 3 6.489 -2.535 -5.496 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.694 -3.732 -3.139 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.753 -5.196 -4.099 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.462 -3.052 -5.218 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.923 -3.484 -3.583 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.958 -5.232 -6.689 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.298 -3.622 -6.313 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.386 -4.430 -5.159 1.00 0.00 H new ATOM 54 N ILE A 4 6.587 -4.122 -7.457 1.00 0.00 N ATOM 55 CA ILE A 4 6.470 -4.927 -8.672 1.00 0.00 C ATOM 56 C ILE A 4 7.776 -5.607 -9.015 1.00 0.00 C ATOM 57 O ILE A 4 7.875 -6.833 -9.050 1.00 0.00 O ATOM 58 CB ILE A 4 6.082 -4.013 -9.841 1.00 0.00 C ATOM 59 CG1 ILE A 4 4.614 -3.628 -9.715 1.00 0.00 C ATOM 60 CG2 ILE A 4 6.329 -4.701 -11.195 1.00 0.00 C ATOM 61 CD1 ILE A 4 3.709 -4.838 -9.963 1.00 0.00 C ATOM 0 H ILE A 4 7.262 -3.359 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 4 5.712 -5.691 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 4 6.705 -3.119 -9.801 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.424 -3.224 -8.721 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.378 -2.840 -10.430 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.044 -4.027 -12.003 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.386 -4.953 -11.288 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.733 -5.611 -11.255 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.666 -4.538 -9.867 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.885 -5.224 -10.967 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.931 -5.615 -9.231 1.00 0.00 H new ATOM 73 N THR A 5 8.763 -4.802 -9.322 1.00 0.00 N ATOM 74 CA THR A 5 10.038 -5.329 -9.723 1.00 0.00 C ATOM 75 C THR A 5 11.124 -4.353 -9.362 1.00 0.00 C ATOM 76 O THR A 5 10.912 -3.400 -8.611 1.00 0.00 O ATOM 77 CB THR A 5 10.036 -5.542 -11.251 1.00 0.00 C ATOM 78 OG1 THR A 5 11.227 -6.217 -11.634 1.00 0.00 O ATOM 79 CG2 THR A 5 9.964 -4.177 -11.946 1.00 0.00 C ATOM 0 H THR A 5 8.706 -3.784 -9.301 1.00 0.00 H new ATOM 0 HA THR A 5 10.218 -6.276 -9.214 1.00 0.00 H new ATOM 0 HB THR A 5 9.175 -6.144 -11.542 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.227 -6.355 -12.604 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.962 -4.319 -13.027 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.051 -3.664 -11.646 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.828 -3.577 -11.660 1.00 0.00 H new ATOM 87 N SER A 6 12.265 -4.571 -9.950 1.00 0.00 N ATOM 88 CA SER A 6 13.384 -3.700 -9.759 1.00 0.00 C ATOM 89 C SER A 6 14.140 -3.639 -11.055 1.00 0.00 C ATOM 90 O SER A 6 14.299 -4.654 -11.738 1.00 0.00 O ATOM 91 CB SER A 6 14.265 -4.181 -8.627 1.00 0.00 C ATOM 92 OG SER A 6 14.120 -5.589 -8.452 1.00 0.00 O ATOM 0 H SER A 6 12.444 -5.357 -10.574 1.00 0.00 H new ATOM 0 HA SER A 6 13.042 -2.703 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.306 -3.939 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.999 -3.664 -7.705 1.00 0.00 H new ATOM 0 HG SER A 6 14.696 -5.888 -7.718 1.00 0.00 H new ATOM 98 N PHE A 7 14.562 -2.457 -11.414 1.00 0.00 N ATOM 99 CA PHE A 7 15.249 -2.274 -12.667 1.00 0.00 C ATOM 100 C PHE A 7 16.738 -2.071 -12.456 1.00 0.00 C ATOM 101 O PHE A 7 17.159 -1.287 -11.605 1.00 0.00 O ATOM 102 CB PHE A 7 14.615 -1.068 -13.346 1.00 0.00 C ATOM 103 CG PHE A 7 13.231 -1.451 -13.849 1.00 0.00 C ATOM 104 CD1 PHE A 7 13.052 -2.617 -14.598 1.00 0.00 C ATOM 105 CD2 PHE A 7 12.128 -0.640 -13.566 1.00 0.00 C ATOM 106 CE1 PHE A 7 11.779 -2.973 -15.062 1.00 0.00 C ATOM 107 CE2 PHE A 7 10.856 -0.991 -14.040 1.00 0.00 C ATOM 108 CZ PHE A 7 10.682 -2.158 -14.783 1.00 0.00 C ATOM 0 H PHE A 7 14.444 -1.608 -10.861 1.00 0.00 H new ATOM 0 HA PHE A 7 15.151 -3.162 -13.292 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.544 -0.236 -12.645 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.237 -0.733 -14.176 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.900 -3.248 -14.821 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.256 0.259 -12.981 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.647 -3.878 -15.636 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.009 -0.356 -13.829 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.700 -2.430 -15.142 1.00 0.00 H new ATOM 118 N ALA A 8 17.531 -2.784 -13.252 1.00 0.00 N ATOM 119 CA ALA A 8 18.981 -2.678 -13.165 1.00 0.00 C ATOM 120 C ALA A 8 19.363 -1.230 -13.350 1.00 0.00 C ATOM 121 O ALA A 8 20.441 -0.790 -12.949 1.00 0.00 O ATOM 122 CB ALA A 8 19.643 -3.510 -14.264 1.00 0.00 C ATOM 0 H ALA A 8 17.195 -3.437 -13.960 1.00 0.00 H new ATOM 0 HA ALA A 8 19.314 -3.047 -12.195 1.00 0.00 H new ATOM 0 HB1 ALA A 8 20.726 -3.420 -14.185 1.00 0.00 H new ATOM 0 HB2 ALA A 8 19.356 -4.556 -14.151 1.00 0.00 H new ATOM 0 HB3 ALA A 8 19.319 -3.148 -15.240 1.00 0.00 H new ATOM 128 N ASN A 9 18.454 -0.501 -13.975 1.00 0.00 N ATOM 129 CA ASN A 9 18.655 0.905 -14.238 1.00 0.00 C ATOM 130 C ASN A 9 17.437 1.695 -13.803 1.00 0.00 C ATOM 131 O ASN A 9 16.322 1.189 -13.802 1.00 0.00 O ATOM 132 CB ASN A 9 18.864 1.135 -15.736 1.00 0.00 C ATOM 133 CG ASN A 9 20.339 1.026 -16.092 1.00 0.00 C ATOM 134 OD1 ASN A 9 21.029 2.038 -16.215 1.00 0.00 O ATOM 135 ND2 ASN A 9 20.863 -0.150 -16.271 1.00 0.00 N ATOM 0 H ASN A 9 17.563 -0.868 -14.310 1.00 0.00 H new ATOM 0 HA ASN A 9 19.533 1.234 -13.682 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.292 0.403 -16.306 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.489 2.120 -16.014 1.00 0.00 H new ATOM 0 HD21 ASN A 9 21.850 -0.237 -16.514 1.00 0.00 H new ATOM 0 HD22 ASN A 9 20.287 -0.986 -16.168 1.00 0.00 H new ATOM 142 N PRO A 10 17.627 2.926 -13.481 1.00 0.00 N ATOM 143 CA PRO A 10 16.519 3.838 -13.098 1.00 0.00 C ATOM 144 C PRO A 10 15.861 4.386 -14.353 1.00 0.00 C ATOM 145 O PRO A 10 14.670 4.682 -14.380 1.00 0.00 O ATOM 146 CB PRO A 10 17.241 4.934 -12.345 1.00 0.00 C ATOM 147 CG PRO A 10 18.546 5.031 -13.051 1.00 0.00 C ATOM 148 CD PRO A 10 18.928 3.608 -13.429 1.00 0.00 C ATOM 0 HA PRO A 10 15.729 3.367 -12.512 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.693 5.875 -12.381 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.371 4.681 -11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.464 5.661 -13.937 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.304 5.481 -12.409 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.444 3.569 -14.388 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.592 3.158 -12.691 1.00 0.00 H new ATOM 156 N ARG A 11 16.668 4.504 -15.403 1.00 0.00 N ATOM 157 CA ARG A 11 16.178 4.998 -16.683 1.00 0.00 C ATOM 158 C ARG A 11 15.109 4.049 -17.184 1.00 0.00 C ATOM 159 O ARG A 11 13.960 4.442 -17.384 1.00 0.00 O ATOM 160 CB ARG A 11 17.314 5.079 -17.716 1.00 0.00 C ATOM 161 CG ARG A 11 18.670 5.014 -17.028 1.00 0.00 C ATOM 162 CD ARG A 11 19.740 5.425 -18.034 1.00 0.00 C ATOM 163 NE ARG A 11 20.293 6.726 -17.674 1.00 0.00 N ATOM 164 CZ ARG A 11 21.134 7.366 -18.482 1.00 0.00 C ATOM 165 NH1 ARG A 11 21.486 6.832 -19.615 1.00 0.00 N ATOM 166 NH2 ARG A 11 21.590 8.540 -18.149 1.00 0.00 N ATOM 0 H ARG A 11 17.660 4.265 -15.392 1.00 0.00 H new ATOM 0 HA ARG A 11 15.772 6.000 -16.547 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.223 4.260 -18.430 1.00 0.00 H new ATOM 0 HB3 ARG A 11 17.232 6.006 -18.283 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.688 5.677 -16.163 1.00 0.00 H new ATOM 0 HG3 ARG A 11 18.861 4.006 -16.661 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.533 4.678 -18.058 1.00 0.00 H new ATOM 0 HD3 ARG A 11 19.312 5.468 -19.035 1.00 0.00 H new ATOM 0 HE ARG A 11 20.030 7.153 -16.786 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.117 5.920 -19.886 1.00 0.00 H new ATOM 0 HH12 ARG A 11 22.131 7.325 -20.233 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.302 8.968 -17.269 1.00 0.00 H new ATOM 0 HH22 ARG A 11 22.235 9.031 -18.768 1.00 0.00 H new ATOM 180 N VAL A 12 15.488 2.784 -17.335 1.00 0.00 N ATOM 181 CA VAL A 12 14.542 1.770 -17.765 1.00 0.00 C ATOM 182 C VAL A 12 13.353 1.810 -16.822 1.00 0.00 C ATOM 183 O VAL A 12 12.204 1.618 -17.220 1.00 0.00 O ATOM 184 CB VAL A 12 15.188 0.372 -17.728 1.00 0.00 C ATOM 185 CG1 VAL A 12 16.568 0.398 -18.389 1.00 0.00 C ATOM 186 CG2 VAL A 12 15.341 -0.100 -16.285 1.00 0.00 C ATOM 0 H VAL A 12 16.434 2.442 -17.167 1.00 0.00 H new ATOM 0 HA VAL A 12 14.229 1.969 -18.790 1.00 0.00 H new ATOM 0 HB VAL A 12 14.539 -0.313 -18.273 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.008 -0.599 -18.353 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.468 0.713 -19.428 1.00 0.00 H new ATOM 0 HG13 VAL A 12 17.213 1.098 -17.858 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.799 -1.089 -16.272 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.974 0.600 -15.739 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.360 -0.148 -15.812 1.00 0.00 H new ATOM 196 N ALA A 13 13.660 2.074 -15.562 1.00 0.00 N ATOM 197 CA ALA A 13 12.643 2.147 -14.534 1.00 0.00 C ATOM 198 C ALA A 13 11.713 3.304 -14.790 1.00 0.00 C ATOM 199 O ALA A 13 10.528 3.110 -15.048 1.00 0.00 O ATOM 200 CB ALA A 13 13.304 2.316 -13.164 1.00 0.00 C ATOM 0 H ALA A 13 14.610 2.241 -15.229 1.00 0.00 H new ATOM 0 HA ALA A 13 12.066 1.222 -14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.535 2.371 -12.393 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.956 1.465 -12.967 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.893 3.233 -13.155 1.00 0.00 H new ATOM 206 N GLN A 14 12.257 4.503 -14.730 1.00 0.00 N ATOM 207 CA GLN A 14 11.454 5.677 -14.967 1.00 0.00 C ATOM 208 C GLN A 14 10.796 5.560 -16.329 1.00 0.00 C ATOM 209 O GLN A 14 9.635 5.918 -16.495 1.00 0.00 O ATOM 210 CB GLN A 14 12.323 6.922 -14.886 1.00 0.00 C ATOM 211 CG GLN A 14 12.923 7.028 -13.482 1.00 0.00 C ATOM 212 CD GLN A 14 14.202 7.848 -13.530 1.00 0.00 C ATOM 213 OE1 GLN A 14 15.252 7.348 -14.108 1.00 0.00 O flip ATOM 214 NE2 GLN A 14 14.244 8.969 -13.029 1.00 0.00 N flip ATOM 0 H GLN A 14 13.239 4.685 -14.522 1.00 0.00 H new ATOM 0 HA GLN A 14 10.677 5.758 -14.207 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.117 6.874 -15.631 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.730 7.809 -15.109 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.207 7.493 -12.805 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.133 6.033 -13.090 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.416 9.357 -12.576 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.107 9.512 -13.066 1.00 0.00 H new ATOM 223 N ALA A 15 11.533 5.020 -17.294 1.00 0.00 N ATOM 224 CA ALA A 15 10.988 4.831 -18.631 1.00 0.00 C ATOM 225 C ALA A 15 9.832 3.840 -18.573 1.00 0.00 C ATOM 226 O ALA A 15 8.764 4.082 -19.136 1.00 0.00 O ATOM 227 CB ALA A 15 12.067 4.302 -19.578 1.00 0.00 C ATOM 0 H ALA A 15 12.497 4.709 -17.177 1.00 0.00 H new ATOM 0 HA ALA A 15 10.632 5.791 -19.005 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.643 4.166 -20.573 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.889 5.016 -19.628 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.439 3.346 -19.209 1.00 0.00 H new ATOM 233 N PHE A 16 10.056 2.721 -17.881 1.00 0.00 N ATOM 234 CA PHE A 16 9.027 1.697 -17.743 1.00 0.00 C ATOM 235 C PHE A 16 7.828 2.262 -17.035 1.00 0.00 C ATOM 236 O PHE A 16 6.740 2.322 -17.590 1.00 0.00 O ATOM 237 CB PHE A 16 9.530 0.523 -16.913 1.00 0.00 C ATOM 238 CG PHE A 16 8.412 -0.481 -16.738 1.00 0.00 C ATOM 239 CD1 PHE A 16 7.873 -1.130 -17.853 1.00 0.00 C ATOM 240 CD2 PHE A 16 7.949 -0.799 -15.456 1.00 0.00 C ATOM 241 CE1 PHE A 16 6.883 -2.105 -17.686 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.952 -1.766 -15.292 1.00 0.00 C ATOM 243 CZ PHE A 16 6.425 -2.424 -16.407 1.00 0.00 C ATOM 0 H PHE A 16 10.935 2.505 -17.412 1.00 0.00 H new ATOM 0 HA PHE A 16 8.768 1.362 -18.747 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.382 0.054 -17.405 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.876 0.872 -15.940 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.221 -0.879 -18.844 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.362 -0.297 -14.593 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.473 -2.611 -18.548 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.589 -2.005 -14.303 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.664 -3.179 -16.279 1.00 0.00 H new ATOM 253 N VAL A 17 8.030 2.668 -15.800 1.00 0.00 N ATOM 254 CA VAL A 17 6.942 3.221 -15.036 1.00 0.00 C ATOM 255 C VAL A 17 6.325 4.356 -15.820 1.00 0.00 C ATOM 256 O VAL A 17 5.110 4.470 -15.893 1.00 0.00 O ATOM 257 CB VAL A 17 7.442 3.698 -13.685 1.00 0.00 C ATOM 258 CG1 VAL A 17 8.242 2.568 -13.044 1.00 0.00 C ATOM 259 CG2 VAL A 17 8.331 4.914 -13.880 1.00 0.00 C ATOM 0 H VAL A 17 8.925 2.625 -15.313 1.00 0.00 H new ATOM 0 HA VAL A 17 6.184 2.458 -14.858 1.00 0.00 H new ATOM 0 HB VAL A 17 6.605 3.971 -13.043 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.611 2.890 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.602 1.695 -12.918 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.085 2.310 -13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.692 5.260 -12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.180 4.647 -14.510 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.760 5.709 -14.359 1.00 0.00 H new ATOM 269 N ASP A 18 7.168 5.174 -16.452 1.00 0.00 N ATOM 270 CA ASP A 18 6.644 6.253 -17.267 1.00 0.00 C ATOM 271 C ASP A 18 5.803 5.619 -18.351 1.00 0.00 C ATOM 272 O ASP A 18 4.690 6.056 -18.640 1.00 0.00 O ATOM 273 CB ASP A 18 7.762 7.079 -17.906 1.00 0.00 C ATOM 274 CG ASP A 18 7.174 8.027 -18.938 1.00 0.00 C ATOM 275 OD1 ASP A 18 6.515 8.968 -18.538 1.00 0.00 O ATOM 276 OD2 ASP A 18 7.389 7.803 -20.114 1.00 0.00 O ATOM 0 H ASP A 18 8.185 5.109 -16.414 1.00 0.00 H new ATOM 0 HA ASP A 18 6.061 6.931 -16.644 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.293 7.644 -17.140 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.490 6.419 -18.378 1.00 0.00 H new ATOM 281 N TYR A 19 6.343 4.546 -18.917 1.00 0.00 N ATOM 282 CA TYR A 19 5.636 3.800 -19.936 1.00 0.00 C ATOM 283 C TYR A 19 4.345 3.276 -19.315 1.00 0.00 C ATOM 284 O TYR A 19 3.249 3.602 -19.756 1.00 0.00 O ATOM 285 CB TYR A 19 6.496 2.629 -20.445 1.00 0.00 C ATOM 286 CG TYR A 19 5.600 1.450 -20.691 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.715 1.487 -21.765 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.622 0.345 -19.835 1.00 0.00 C ATOM 289 CE1 TYR A 19 3.849 0.423 -21.992 1.00 0.00 C ATOM 290 CE2 TYR A 19 4.754 -0.728 -20.063 1.00 0.00 C ATOM 291 CZ TYR A 19 3.866 -0.689 -21.146 1.00 0.00 C ATOM 292 OH TYR A 19 3.010 -1.744 -21.385 1.00 0.00 O ATOM 0 H TYR A 19 7.266 4.179 -18.685 1.00 0.00 H new ATOM 0 HA TYR A 19 5.417 4.443 -20.788 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.013 2.910 -21.363 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.262 2.376 -19.712 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.701 2.343 -22.423 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.307 0.320 -19.000 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.162 0.456 -22.824 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.768 -1.585 -19.406 1.00 0.00 H new ATOM 0 HH TYR A 19 2.104 -1.402 -21.538 1.00 0.00 H new ATOM 302 N MET A 20 4.490 2.490 -18.254 1.00 0.00 N ATOM 303 CA MET A 20 3.334 1.963 -17.549 1.00 0.00 C ATOM 304 C MET A 20 2.392 3.117 -17.282 1.00 0.00 C ATOM 305 O MET A 20 1.195 3.057 -17.563 1.00 0.00 O ATOM 306 CB MET A 20 3.782 1.332 -16.234 1.00 0.00 C ATOM 307 CG MET A 20 4.725 0.163 -16.537 1.00 0.00 C ATOM 308 SD MET A 20 4.153 -1.331 -15.695 1.00 0.00 S ATOM 309 CE MET A 20 2.481 -1.341 -16.340 1.00 0.00 C ATOM 0 H MET A 20 5.391 2.207 -17.868 1.00 0.00 H new ATOM 0 HA MET A 20 2.833 1.199 -18.143 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.288 2.072 -15.614 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.917 0.982 -15.671 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.768 -0.010 -17.612 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.736 0.408 -16.213 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.016 -2.305 -16.132 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.903 -0.549 -15.864 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.506 -1.175 -17.417 1.00 0.00 H new ATOM 319 N ALA A 21 2.971 4.187 -16.759 1.00 0.00 N ATOM 320 CA ALA A 21 2.229 5.396 -16.461 1.00 0.00 C ATOM 321 C ALA A 21 1.612 5.930 -17.739 1.00 0.00 C ATOM 322 O ALA A 21 0.510 6.472 -17.726 1.00 0.00 O ATOM 323 CB ALA A 21 3.170 6.430 -15.851 1.00 0.00 C ATOM 0 H ALA A 21 3.964 4.239 -16.531 1.00 0.00 H new ATOM 0 HA ALA A 21 1.434 5.180 -15.747 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.614 7.340 -15.626 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.602 6.032 -14.933 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.968 6.658 -16.558 1.00 0.00 H new ATOM 329 N THR A 22 2.309 5.725 -18.850 1.00 0.00 N ATOM 330 CA THR A 22 1.810 6.137 -20.138 1.00 0.00 C ATOM 331 C THR A 22 0.554 5.321 -20.403 1.00 0.00 C ATOM 332 O THR A 22 -0.446 5.819 -20.922 1.00 0.00 O ATOM 333 CB THR A 22 2.907 5.876 -21.184 1.00 0.00 C ATOM 334 OG1 THR A 22 3.205 7.081 -21.884 1.00 0.00 O ATOM 335 CG2 THR A 22 2.471 4.795 -22.172 1.00 0.00 C ATOM 0 H THR A 22 3.223 5.274 -18.875 1.00 0.00 H new ATOM 0 HA THR A 22 1.560 7.197 -20.180 1.00 0.00 H new ATOM 0 HB THR A 22 3.801 5.528 -20.666 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.905 6.909 -22.548 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.263 4.628 -22.902 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.273 3.868 -21.633 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.565 5.116 -22.687 1.00 0.00 H new ATOM 343 N GLN A 23 0.617 4.066 -19.972 1.00 0.00 N ATOM 344 CA GLN A 23 -0.510 3.157 -20.088 1.00 0.00 C ATOM 345 C GLN A 23 -1.567 3.573 -19.090 1.00 0.00 C ATOM 346 O GLN A 23 -2.675 3.034 -19.064 1.00 0.00 O ATOM 347 CB GLN A 23 -0.073 1.738 -19.754 1.00 0.00 C ATOM 348 CG GLN A 23 -0.997 0.734 -20.453 1.00 0.00 C ATOM 349 CD GLN A 23 -0.214 -0.041 -21.504 1.00 0.00 C ATOM 350 OE1 GLN A 23 0.770 -0.806 -21.133 1.00 0.00 O flip ATOM 351 NE2 GLN A 23 -0.510 0.054 -22.695 1.00 0.00 N flip ATOM 0 H GLN A 23 1.444 3.656 -19.537 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.896 3.190 -21.107 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.958 1.580 -20.072 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.101 1.583 -18.675 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.422 0.046 -19.722 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.831 1.257 -20.920 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.282 0.655 -22.982 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.017 -0.468 -23.395 1.00 0.00 H new ATOM 360 N GLY A 24 -1.182 4.509 -18.236 1.00 0.00 N ATOM 361 CA GLY A 24 -2.047 4.990 -17.182 1.00 0.00 C ATOM 362 C GLY A 24 -1.758 4.197 -15.928 1.00 0.00 C ATOM 363 O GLY A 24 -2.310 4.445 -14.860 1.00 0.00 O ATOM 0 H GLY A 24 -0.264 4.952 -18.258 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.876 6.052 -17.007 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.093 4.878 -17.469 1.00 0.00 H new ATOM 367 N VAL A 25 -0.857 3.248 -16.092 1.00 0.00 N ATOM 368 CA VAL A 25 -0.423 2.383 -15.021 1.00 0.00 C ATOM 369 C VAL A 25 0.723 3.046 -14.303 1.00 0.00 C ATOM 370 O VAL A 25 1.844 3.115 -14.797 1.00 0.00 O ATOM 371 CB VAL A 25 -0.002 1.056 -15.628 1.00 0.00 C ATOM 372 CG1 VAL A 25 0.069 0.029 -14.529 1.00 0.00 C ATOM 373 CG2 VAL A 25 -1.030 0.616 -16.684 1.00 0.00 C ATOM 0 H VAL A 25 -0.402 3.057 -16.985 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.221 2.204 -14.301 1.00 0.00 H new ATOM 0 HB VAL A 25 0.971 1.158 -16.108 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.370 -0.931 -14.947 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.798 0.344 -13.783 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.910 -0.071 -14.060 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.723 -0.336 -17.116 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.008 0.503 -16.215 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.089 1.369 -17.470 1.00 0.00 H new ATOM 383 N ILE A 26 0.417 3.580 -13.152 1.00 0.00 N ATOM 384 CA ILE A 26 1.398 4.304 -12.398 1.00 0.00 C ATOM 385 C ILE A 26 2.346 3.419 -11.608 1.00 0.00 C ATOM 386 O ILE A 26 1.955 2.779 -10.629 1.00 0.00 O ATOM 387 CB ILE A 26 0.704 5.253 -11.432 1.00 0.00 C ATOM 388 CG1 ILE A 26 -0.561 5.839 -12.077 1.00 0.00 C ATOM 389 CG2 ILE A 26 1.673 6.370 -11.092 1.00 0.00 C ATOM 390 CD1 ILE A 26 -1.754 4.929 -11.771 1.00 0.00 C ATOM 0 H ILE A 26 -0.504 3.526 -12.718 1.00 0.00 H new ATOM 0 HA ILE A 26 1.999 4.844 -13.130 1.00 0.00 H new ATOM 0 HB ILE A 26 0.409 4.717 -10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.747 6.842 -11.694 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.425 5.929 -13.155 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.198 7.065 -10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.565 5.949 -10.629 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.952 6.899 -12.003 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.653 5.342 -12.227 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.566 3.934 -12.175 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.893 4.862 -10.692 1.00 0.00 H new ATOM 402 N LEU A 27 3.611 3.485 -11.988 1.00 0.00 N ATOM 403 CA LEU A 27 4.656 2.792 -11.264 1.00 0.00 C ATOM 404 C LEU A 27 5.506 3.873 -10.641 1.00 0.00 C ATOM 405 O LEU A 27 5.089 5.030 -10.605 1.00 0.00 O ATOM 406 CB LEU A 27 5.534 1.925 -12.157 1.00 0.00 C ATOM 407 CG LEU A 27 5.020 0.497 -12.147 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.639 0.107 -13.562 1.00 0.00 C ATOM 409 CD2 LEU A 27 6.125 -0.435 -11.635 1.00 0.00 C ATOM 0 H LEU A 27 3.937 4.014 -12.797 1.00 0.00 H new ATOM 0 HA LEU A 27 4.205 2.117 -10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.532 2.315 -13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.566 1.953 -11.807 1.00 0.00 H new ATOM 0 HG LEU A 27 4.150 0.415 -11.495 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.268 -0.918 -13.569 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.861 0.778 -13.927 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.514 0.181 -14.208 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.760 -1.462 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.993 -0.364 -12.290 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.409 -0.142 -10.624 1.00 0.00 H new ATOM 421 N THR A 28 6.691 3.525 -10.195 1.00 0.00 N ATOM 422 CA THR A 28 7.596 4.497 -9.613 1.00 0.00 C ATOM 423 C THR A 28 8.827 3.779 -9.088 1.00 0.00 C ATOM 424 O THR A 28 8.749 2.615 -8.682 1.00 0.00 O ATOM 425 CB THR A 28 6.927 5.252 -8.448 1.00 0.00 C ATOM 426 OG1 THR A 28 6.028 6.238 -8.944 1.00 0.00 O ATOM 427 CG2 THR A 28 7.991 5.952 -7.604 1.00 0.00 C ATOM 0 H THR A 28 7.055 2.572 -10.223 1.00 0.00 H new ATOM 0 HA THR A 28 7.869 5.217 -10.385 1.00 0.00 H new ATOM 0 HB THR A 28 6.380 4.528 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.354 5.810 -9.512 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.512 6.484 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.682 5.211 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.539 6.661 -8.224 1.00 0.00 H new ATOM 435 N ILE A 29 9.948 4.471 -9.071 1.00 0.00 N ATOM 436 CA ILE A 29 11.167 3.885 -8.559 1.00 0.00 C ATOM 437 C ILE A 29 11.208 4.119 -7.055 1.00 0.00 C ATOM 438 O ILE A 29 11.077 5.258 -6.587 1.00 0.00 O ATOM 439 CB ILE A 29 12.389 4.501 -9.246 1.00 0.00 C ATOM 440 CG1 ILE A 29 11.964 5.189 -10.552 1.00 0.00 C ATOM 441 CG2 ILE A 29 13.398 3.398 -9.575 1.00 0.00 C ATOM 442 CD1 ILE A 29 11.293 4.173 -11.493 1.00 0.00 C ATOM 0 H ILE A 29 10.039 5.431 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 29 11.187 2.815 -8.765 1.00 0.00 H new ATOM 0 HB ILE A 29 12.840 5.234 -8.577 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.275 6.005 -10.334 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.834 5.629 -11.040 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.268 3.835 -10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.709 2.903 -8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.936 2.669 -10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.996 4.672 -12.415 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.995 3.372 -11.724 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.412 3.754 -11.007 1.00 0.00 H new ATOM 536 N SER A 35 16.714 0.109 -8.422 1.00 0.00 N ATOM 537 CA SER A 35 15.617 0.808 -9.054 1.00 0.00 C ATOM 538 C SER A 35 14.338 0.019 -8.815 1.00 0.00 C ATOM 539 O SER A 35 13.654 -0.375 -9.760 1.00 0.00 O ATOM 540 CB SER A 35 15.875 0.962 -10.550 1.00 0.00 C ATOM 541 OG SER A 35 17.280 0.932 -10.787 1.00 0.00 O ATOM 0 HA SER A 35 15.521 1.806 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.384 0.160 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.453 1.900 -10.910 1.00 0.00 H new ATOM 0 HG SER A 35 17.496 0.181 -11.379 1.00 0.00 H new ATOM 547 N ASP A 36 14.028 -0.214 -7.541 1.00 0.00 N ATOM 548 CA ASP A 36 12.829 -0.952 -7.188 1.00 0.00 C ATOM 549 C ASP A 36 11.640 -0.231 -7.769 1.00 0.00 C ATOM 550 O ASP A 36 11.408 0.948 -7.496 1.00 0.00 O ATOM 551 CB ASP A 36 12.695 -1.085 -5.672 1.00 0.00 C ATOM 552 CG ASP A 36 13.861 -1.904 -5.115 1.00 0.00 C ATOM 553 OD1 ASP A 36 13.784 -3.118 -5.174 1.00 0.00 O ATOM 554 OD2 ASP A 36 14.819 -1.311 -4.641 1.00 0.00 O ATOM 0 H ASP A 36 14.588 0.096 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 36 12.886 -1.961 -7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.681 -0.097 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.749 -1.567 -5.423 1.00 0.00 H new ATOM 559 N VAL A 37 10.920 -0.938 -8.606 1.00 0.00 N ATOM 560 CA VAL A 37 9.782 -0.371 -9.282 1.00 0.00 C ATOM 561 C VAL A 37 8.497 -0.807 -8.611 1.00 0.00 C ATOM 562 O VAL A 37 8.215 -2.004 -8.480 1.00 0.00 O ATOM 563 CB VAL A 37 9.807 -0.786 -10.755 1.00 0.00 C ATOM 564 CG1 VAL A 37 9.626 0.456 -11.629 1.00 0.00 C ATOM 565 CG2 VAL A 37 11.159 -1.427 -11.088 1.00 0.00 C ATOM 0 H VAL A 37 11.105 -1.914 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 37 9.830 0.716 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 37 9.005 -1.500 -10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.643 0.167 -12.680 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.671 0.928 -11.398 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.435 1.160 -11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.173 -1.721 -12.137 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.958 -0.709 -10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.308 -2.307 -10.462 1.00 0.00 H new ATOM 575 N TRP A 38 7.732 0.173 -8.172 1.00 0.00 N ATOM 576 CA TRP A 38 6.482 -0.100 -7.490 1.00 0.00 C ATOM 577 C TRP A 38 5.290 0.222 -8.378 1.00 0.00 C ATOM 578 O TRP A 38 5.402 1.021 -9.302 1.00 0.00 O ATOM 579 CB TRP A 38 6.412 0.737 -6.217 1.00 0.00 C ATOM 580 CG TRP A 38 7.236 0.093 -5.162 1.00 0.00 C ATOM 581 CD1 TRP A 38 8.524 -0.303 -5.278 1.00 0.00 C ATOM 582 CD2 TRP A 38 6.825 -0.234 -3.826 1.00 0.00 C ATOM 583 NE1 TRP A 38 8.924 -0.855 -4.072 1.00 0.00 N ATOM 584 CE2 TRP A 38 7.903 -0.834 -3.142 1.00 0.00 C ATOM 585 CE3 TRP A 38 5.622 -0.056 -3.157 1.00 0.00 C ATOM 586 CZ2 TRP A 38 7.776 -1.254 -1.820 1.00 0.00 C ATOM 587 CZ3 TRP A 38 5.483 -0.470 -1.842 1.00 0.00 C ATOM 588 CH2 TRP A 38 6.557 -1.067 -1.163 1.00 0.00 C ATOM 0 H TRP A 38 7.953 1.163 -8.275 1.00 0.00 H new ATOM 0 HA TRP A 38 6.446 -1.161 -7.244 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.773 1.747 -6.411 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.378 0.827 -5.883 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.137 -0.205 -6.162 1.00 0.00 H new ATOM 0 HE1 TRP A 38 9.856 -1.230 -3.893 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.789 0.408 -3.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.608 -1.717 -1.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.540 -0.332 -1.335 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.441 -1.381 -0.136 1.00 0.00 H new ATOM 599 N LEU A 39 4.156 -0.398 -8.074 1.00 0.00 N ATOM 600 CA LEU A 39 2.916 -0.183 -8.827 1.00 0.00 C ATOM 601 C LEU A 39 1.955 0.623 -7.962 1.00 0.00 C ATOM 602 O LEU A 39 1.549 0.170 -6.890 1.00 0.00 O ATOM 603 CB LEU A 39 2.301 -1.558 -9.139 1.00 0.00 C ATOM 604 CG LEU A 39 1.373 -1.594 -10.354 1.00 0.00 C ATOM 605 CD1 LEU A 39 -0.066 -1.670 -9.885 1.00 0.00 C ATOM 606 CD2 LEU A 39 1.557 -0.390 -11.261 1.00 0.00 C ATOM 0 H LEU A 39 4.065 -1.061 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 39 3.111 0.357 -9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.109 -2.272 -9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.743 -1.896 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 39 1.629 -2.478 -10.938 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.730 -1.696 -10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.208 -2.573 -9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.297 -0.796 -9.276 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.875 -0.465 -12.108 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.344 0.522 -10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.584 -0.362 -11.624 1.00 0.00 H new ATOM 618 N ALA A 40 1.586 1.806 -8.422 1.00 0.00 N ATOM 619 CA ALA A 40 0.661 2.637 -7.663 1.00 0.00 C ATOM 620 C ALA A 40 -0.750 2.272 -8.077 1.00 0.00 C ATOM 621 O ALA A 40 -1.663 2.191 -7.252 1.00 0.00 O ATOM 622 CB ALA A 40 0.933 4.125 -7.914 1.00 0.00 C ATOM 0 H ALA A 40 1.905 2.210 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 40 0.794 2.460 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.230 4.726 -7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.952 4.365 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.811 4.343 -8.975 1.00 0.00 H new ATOM 628 N ASP A 41 -0.902 2.007 -9.361 1.00 0.00 N ATOM 629 CA ASP A 41 -2.181 1.595 -9.899 1.00 0.00 C ATOM 630 C ASP A 41 -2.404 0.145 -9.528 1.00 0.00 C ATOM 631 O ASP A 41 -2.536 -0.696 -10.398 1.00 0.00 O ATOM 632 CB ASP A 41 -2.164 1.711 -11.426 1.00 0.00 C ATOM 633 CG ASP A 41 -3.587 1.720 -11.973 1.00 0.00 C ATOM 634 OD1 ASP A 41 -4.502 1.426 -11.220 1.00 0.00 O ATOM 635 OD2 ASP A 41 -3.746 2.011 -13.139 1.00 0.00 O ATOM 0 H ASP A 41 -0.153 2.070 -10.050 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.972 2.228 -9.497 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.648 2.624 -11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.608 0.877 -11.854 1.00 0.00 H new ATOM 640 N GLU A 42 -2.383 -0.157 -8.237 1.00 0.00 N ATOM 641 CA GLU A 42 -2.522 -1.540 -7.779 1.00 0.00 C ATOM 642 C GLU A 42 -3.460 -2.349 -8.655 1.00 0.00 C ATOM 643 O GLU A 42 -3.232 -3.538 -8.872 1.00 0.00 O ATOM 644 CB GLU A 42 -2.951 -1.581 -6.319 1.00 0.00 C ATOM 645 CG GLU A 42 -1.687 -1.506 -5.466 1.00 0.00 C ATOM 646 CD GLU A 42 -2.034 -1.265 -4.001 1.00 0.00 C ATOM 647 OE1 GLU A 42 -2.374 -0.144 -3.671 1.00 0.00 O ATOM 648 OE2 GLU A 42 -1.955 -2.202 -3.228 1.00 0.00 O ATOM 0 H GLU A 42 -2.272 0.529 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.541 -2.009 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.617 -0.748 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.502 -2.497 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.123 -2.433 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.045 -0.703 -5.829 1.00 0.00 H new ATOM 655 N SER A 43 -4.473 -1.714 -9.205 1.00 0.00 N ATOM 656 CA SER A 43 -5.369 -2.414 -10.106 1.00 0.00 C ATOM 657 C SER A 43 -4.531 -3.112 -11.171 1.00 0.00 C ATOM 658 O SER A 43 -4.849 -4.202 -11.650 1.00 0.00 O ATOM 659 CB SER A 43 -6.277 -1.403 -10.787 1.00 0.00 C ATOM 660 OG SER A 43 -6.095 -0.123 -10.180 1.00 0.00 O ATOM 0 H SER A 43 -4.696 -0.731 -9.049 1.00 0.00 H new ATOM 0 HA SER A 43 -5.968 -3.138 -9.554 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.048 -1.350 -11.851 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.318 -1.715 -10.700 1.00 0.00 H new ATOM 0 HG SER A 43 -5.265 0.280 -10.509 1.00 0.00 H new ATOM 666 N GLN A 44 -3.463 -2.422 -11.531 1.00 0.00 N ATOM 667 CA GLN A 44 -2.520 -2.852 -12.532 1.00 0.00 C ATOM 668 C GLN A 44 -1.419 -3.724 -11.941 1.00 0.00 C ATOM 669 O GLN A 44 -0.585 -4.242 -12.666 1.00 0.00 O ATOM 670 CB GLN A 44 -1.903 -1.599 -13.115 1.00 0.00 C ATOM 671 CG GLN A 44 -2.774 -1.019 -14.226 1.00 0.00 C ATOM 672 CD GLN A 44 -4.261 -1.238 -13.968 1.00 0.00 C ATOM 673 OE1 GLN A 44 -4.766 -2.354 -14.094 1.00 0.00 O ATOM 674 NE2 GLN A 44 -4.998 -0.225 -13.636 1.00 0.00 N ATOM 0 H GLN A 44 -3.227 -1.520 -11.118 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.034 -3.450 -13.285 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.770 -0.856 -12.328 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.912 -1.828 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.577 0.049 -14.319 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.501 -1.478 -15.176 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.578 0.699 -13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.998 -0.352 -13.479 1.00 0.00 H new ATOM 683 N ALA A 45 -1.403 -3.854 -10.628 1.00 0.00 N ATOM 684 CA ALA A 45 -0.383 -4.649 -9.945 1.00 0.00 C ATOM 685 C ALA A 45 -0.021 -5.871 -10.752 1.00 0.00 C ATOM 686 O ALA A 45 1.088 -5.997 -11.274 1.00 0.00 O ATOM 687 CB ALA A 45 -0.950 -5.114 -8.618 1.00 0.00 C ATOM 0 H ALA A 45 -2.085 -3.420 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 45 0.507 -4.035 -9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.204 -5.710 -8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.216 -4.248 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.839 -5.720 -8.794 1.00 0.00 H new ATOM 693 N GLU A 46 -0.982 -6.752 -10.850 1.00 0.00 N ATOM 694 CA GLU A 46 -0.828 -7.977 -11.599 1.00 0.00 C ATOM 695 C GLU A 46 -0.388 -7.640 -13.006 1.00 0.00 C ATOM 696 O GLU A 46 0.521 -8.249 -13.566 1.00 0.00 O ATOM 697 CB GLU A 46 -2.177 -8.673 -11.629 1.00 0.00 C ATOM 698 CG GLU A 46 -3.210 -7.751 -12.300 1.00 0.00 C ATOM 699 CD GLU A 46 -4.603 -8.342 -12.148 1.00 0.00 C ATOM 700 OE1 GLU A 46 -4.963 -8.675 -11.036 1.00 0.00 O ATOM 701 OE2 GLU A 46 -5.292 -8.463 -13.146 1.00 0.00 O ATOM 0 H GLU A 46 -1.897 -6.642 -10.412 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.082 -8.626 -11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.102 -9.613 -12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.495 -8.918 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.174 -6.760 -11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.970 -7.629 -13.356 1.00 0.00 H new ATOM 708 N ARG A 47 -1.051 -6.635 -13.543 1.00 0.00 N ATOM 709 CA ARG A 47 -0.775 -6.142 -14.873 1.00 0.00 C ATOM 710 C ARG A 47 0.687 -5.826 -14.983 1.00 0.00 C ATOM 711 O ARG A 47 1.433 -6.462 -15.714 1.00 0.00 O ATOM 712 CB ARG A 47 -1.585 -4.870 -15.100 1.00 0.00 C ATOM 713 CG ARG A 47 -1.948 -4.724 -16.566 1.00 0.00 C ATOM 714 CD ARG A 47 -1.473 -3.353 -17.006 1.00 0.00 C ATOM 715 NE ARG A 47 -2.461 -2.727 -17.886 1.00 0.00 N ATOM 716 CZ ARG A 47 -2.183 -2.355 -19.139 1.00 0.00 C ATOM 717 NH1 ARG A 47 -0.965 -2.432 -19.609 1.00 0.00 N ATOM 718 NH2 ARG A 47 -3.138 -1.869 -19.889 1.00 0.00 N ATOM 0 H ARG A 47 -1.801 -6.136 -13.064 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.044 -6.892 -15.617 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.492 -4.897 -14.496 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.010 -4.003 -14.774 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.474 -5.505 -17.160 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.024 -4.823 -16.709 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.304 -2.723 -16.133 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.519 -3.441 -17.525 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.402 -2.568 -17.527 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.211 -2.780 -19.017 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.769 -2.144 -20.568 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.083 -1.777 -19.516 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.938 -1.582 -20.847 1.00 0.00 H new ATOM 732 N VAL A 48 1.065 -4.849 -14.215 1.00 0.00 N ATOM 733 CA VAL A 48 2.419 -4.400 -14.141 1.00 0.00 C ATOM 734 C VAL A 48 3.332 -5.557 -13.821 1.00 0.00 C ATOM 735 O VAL A 48 4.201 -5.907 -14.615 1.00 0.00 O ATOM 736 CB VAL A 48 2.458 -3.345 -13.066 1.00 0.00 C ATOM 737 CG1 VAL A 48 3.864 -2.801 -12.951 1.00 0.00 C ATOM 738 CG2 VAL A 48 1.489 -2.250 -13.478 1.00 0.00 C ATOM 0 H VAL A 48 0.426 -4.332 -13.611 1.00 0.00 H new ATOM 0 HA VAL A 48 2.763 -3.986 -15.089 1.00 0.00 H new ATOM 0 HB VAL A 48 2.174 -3.751 -12.095 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.896 -2.037 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.547 -3.610 -12.693 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.164 -2.363 -13.903 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.487 -1.463 -12.724 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.798 -1.833 -14.437 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.486 -2.667 -13.570 1.00 0.00 H new ATOM 748 N ARG A 49 3.125 -6.161 -12.671 1.00 0.00 N ATOM 749 CA ARG A 49 3.951 -7.291 -12.288 1.00 0.00 C ATOM 750 C ARG A 49 4.059 -8.260 -13.462 1.00 0.00 C ATOM 751 O ARG A 49 5.097 -8.885 -13.672 1.00 0.00 O ATOM 752 CB ARG A 49 3.373 -8.018 -11.067 1.00 0.00 C ATOM 753 CG ARG A 49 4.344 -9.114 -10.616 1.00 0.00 C ATOM 754 CD ARG A 49 4.274 -9.280 -9.100 1.00 0.00 C ATOM 755 NE ARG A 49 5.399 -10.086 -8.636 1.00 0.00 N ATOM 756 CZ ARG A 49 5.269 -10.966 -7.642 1.00 0.00 C ATOM 757 NH1 ARG A 49 4.125 -11.088 -7.014 1.00 0.00 N ATOM 758 NH2 ARG A 49 6.294 -11.693 -7.291 1.00 0.00 N ATOM 0 H ARG A 49 2.408 -5.898 -11.995 1.00 0.00 H new ATOM 0 HA ARG A 49 4.940 -6.918 -12.020 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.205 -7.310 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.405 -8.454 -11.315 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.095 -10.056 -11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.360 -8.857 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.292 -8.303 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.334 -9.756 -8.821 1.00 0.00 H new ATOM 0 HE ARG A 49 6.309 -9.973 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.330 -10.509 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.030 -11.762 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.185 -11.586 -7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.204 -12.369 -6.532 1.00 0.00 H new ATOM 772 N ALA A 50 2.982 -8.357 -14.235 1.00 0.00 N ATOM 773 CA ALA A 50 2.966 -9.228 -15.403 1.00 0.00 C ATOM 774 C ALA A 50 3.674 -8.529 -16.549 1.00 0.00 C ATOM 775 O ALA A 50 4.491 -9.128 -17.249 1.00 0.00 O ATOM 776 CB ALA A 50 1.529 -9.544 -15.811 1.00 0.00 C ATOM 0 H ALA A 50 2.114 -7.846 -14.074 1.00 0.00 H new ATOM 0 HA ALA A 50 3.474 -10.161 -15.161 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.534 -10.195 -16.685 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.019 -10.045 -14.988 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.007 -8.618 -16.052 1.00 0.00 H new ATOM 782 N GLU A 51 3.359 -7.252 -16.719 1.00 0.00 N ATOM 783 CA GLU A 51 3.965 -6.449 -17.761 1.00 0.00 C ATOM 784 C GLU A 51 5.439 -6.735 -17.834 1.00 0.00 C ATOM 785 O GLU A 51 5.928 -7.121 -18.873 1.00 0.00 O ATOM 786 CB GLU A 51 3.767 -4.960 -17.479 1.00 0.00 C ATOM 787 CG GLU A 51 2.294 -4.581 -17.709 1.00 0.00 C ATOM 788 CD GLU A 51 2.184 -3.398 -18.666 1.00 0.00 C ATOM 789 OE1 GLU A 51 3.063 -3.236 -19.489 1.00 0.00 O ATOM 790 OE2 GLU A 51 1.211 -2.672 -18.567 1.00 0.00 O ATOM 0 H GLU A 51 2.683 -6.752 -16.142 1.00 0.00 H new ATOM 0 HA GLU A 51 3.487 -6.703 -18.707 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.055 -4.733 -16.453 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.411 -4.368 -18.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.753 -5.435 -18.116 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.825 -4.330 -16.758 1.00 0.00 H new ATOM 797 N LEU A 52 6.141 -6.531 -16.731 1.00 0.00 N ATOM 798 CA LEU A 52 7.581 -6.753 -16.711 1.00 0.00 C ATOM 799 C LEU A 52 7.977 -7.873 -17.662 1.00 0.00 C ATOM 800 O LEU A 52 8.455 -7.613 -18.763 1.00 0.00 O ATOM 801 CB LEU A 52 8.070 -7.097 -15.308 1.00 0.00 C ATOM 802 CG LEU A 52 8.177 -5.842 -14.446 1.00 0.00 C ATOM 803 CD1 LEU A 52 9.478 -5.126 -14.787 1.00 0.00 C ATOM 804 CD2 LEU A 52 6.996 -4.907 -14.698 1.00 0.00 C ATOM 0 H LEU A 52 5.744 -6.215 -15.846 1.00 0.00 H new ATOM 0 HA LEU A 52 8.049 -5.823 -17.034 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.384 -7.805 -14.843 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.042 -7.587 -15.367 1.00 0.00 H new ATOM 0 HG LEU A 52 8.165 -6.129 -13.394 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.569 -4.226 -14.178 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.321 -5.787 -14.585 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.477 -4.852 -15.842 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.094 -4.020 -14.072 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.983 -4.612 -15.747 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.066 -5.421 -14.454 1.00 0.00 H new ATOM 816 N ALA A 53 7.782 -9.114 -17.228 1.00 0.00 N ATOM 817 CA ALA A 53 8.132 -10.268 -18.055 1.00 0.00 C ATOM 818 C ALA A 53 7.825 -9.998 -19.512 1.00 0.00 C ATOM 819 O ALA A 53 8.591 -10.374 -20.388 1.00 0.00 O ATOM 820 CB ALA A 53 7.355 -11.494 -17.614 1.00 0.00 C ATOM 0 H ALA A 53 7.387 -9.348 -16.317 1.00 0.00 H new ATOM 0 HA ALA A 53 9.201 -10.447 -17.936 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.628 -12.343 -18.241 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.591 -11.720 -16.574 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.286 -11.301 -17.710 1.00 0.00 H new ATOM 826 N ARG A 54 6.716 -9.320 -19.763 1.00 0.00 N ATOM 827 CA ARG A 54 6.346 -8.994 -21.137 1.00 0.00 C ATOM 828 C ARG A 54 7.153 -7.793 -21.572 1.00 0.00 C ATOM 829 O ARG A 54 7.866 -7.822 -22.562 1.00 0.00 O ATOM 830 CB ARG A 54 4.853 -8.694 -21.232 1.00 0.00 C ATOM 831 CG ARG A 54 4.061 -9.857 -20.624 1.00 0.00 C ATOM 832 CD ARG A 54 2.581 -9.476 -20.518 1.00 0.00 C ATOM 833 NE ARG A 54 2.046 -9.145 -21.838 1.00 0.00 N ATOM 834 CZ ARG A 54 0.903 -9.671 -22.291 1.00 0.00 C ATOM 835 NH1 ARG A 54 0.272 -10.582 -21.602 1.00 0.00 N ATOM 836 NH2 ARG A 54 0.429 -9.294 -23.442 1.00 0.00 N ATOM 0 H ARG A 54 6.065 -8.989 -19.051 1.00 0.00 H new ATOM 0 HA ARG A 54 6.557 -9.842 -21.789 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.623 -7.768 -20.705 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.565 -8.549 -22.273 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.173 -10.748 -21.242 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.455 -10.101 -19.637 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.016 -10.302 -20.086 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.465 -8.625 -19.847 1.00 0.00 H new ATOM 0 HE ARG A 54 2.560 -8.493 -22.431 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.650 -10.899 -20.709 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.599 -10.977 -21.956 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.929 -8.599 -23.996 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.443 -9.693 -23.790 1.00 0.00 H new ATOM 850 N PHE A 55 7.058 -6.758 -20.776 1.00 0.00 N ATOM 851 CA PHE A 55 7.789 -5.534 -20.990 1.00 0.00 C ATOM 852 C PHE A 55 9.255 -5.858 -21.248 1.00 0.00 C ATOM 853 O PHE A 55 9.977 -5.091 -21.884 1.00 0.00 O ATOM 854 CB PHE A 55 7.611 -4.684 -19.741 1.00 0.00 C ATOM 855 CG PHE A 55 8.881 -4.009 -19.340 1.00 0.00 C ATOM 856 CD1 PHE A 55 9.191 -2.763 -19.867 1.00 0.00 C ATOM 857 CD2 PHE A 55 9.729 -4.612 -18.417 1.00 0.00 C ATOM 858 CE1 PHE A 55 10.362 -2.109 -19.471 1.00 0.00 C ATOM 859 CE2 PHE A 55 10.902 -3.968 -18.021 1.00 0.00 C ATOM 860 CZ PHE A 55 11.221 -2.713 -18.546 1.00 0.00 C ATOM 0 H PHE A 55 6.462 -6.742 -19.949 1.00 0.00 H new ATOM 0 HA PHE A 55 7.422 -4.988 -21.859 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.842 -3.933 -19.920 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.259 -5.312 -18.922 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.528 -2.299 -20.582 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.479 -5.579 -18.006 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.603 -1.138 -19.879 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.563 -4.440 -17.309 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.127 -2.211 -18.239 1.00 0.00 H new