USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 582 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 6 TYR OH : rot 150:sc= 0.0823 USER MOD Set 1.2: A 44 TYR OH : rot -150:sc= 0.794! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.108 (180deg=-0.612) USER MOD Single : A 4 THR OG1 : rot -23:sc= 0.149 USER MOD Single : A 7 GLN :FLIP amide:sc= -6.38! C(o=-9!,f=-6.4!) USER MOD Single : A 11 CYS SG : rot 22:sc= 1.04 USER MOD Single : A 12 HIS : no HD1:sc=-0.00902 X(o=-0.009,f=-0.082) USER MOD Single : A 14 CYS SG : rot 160:sc= -1 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.287 K(o=-0.29,f=-1.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 176:sc= 0 (180deg=-0.018) USER MOD Single : A 77 HIS : no HD1:sc= -2.08! X(o=-2.1!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.518 -0.646 -3.280 1.00 0.00 N ATOM 2 CA MET A 1 12.547 -2.077 -3.029 1.00 0.00 C ATOM 3 C MET A 1 11.133 -2.663 -3.033 1.00 0.00 C ATOM 4 O MET A 1 10.879 -3.675 -3.685 1.00 0.00 O ATOM 5 CB MET A 1 13.206 -2.344 -1.674 1.00 0.00 C ATOM 6 CG MET A 1 13.417 -3.843 -1.453 1.00 0.00 C ATOM 7 SD MET A 1 15.063 -4.310 -1.961 1.00 0.00 S ATOM 8 CE MET A 1 15.209 -5.883 -1.131 1.00 0.00 C ATOM 0 H1 MET A 1 13.421 -0.349 -3.701 1.00 0.00 H new ATOM 0 H2 MET A 1 11.741 -0.424 -3.935 1.00 0.00 H new ATOM 0 H3 MET A 1 12.371 -0.139 -2.384 1.00 0.00 H new ATOM 0 HA MET A 1 13.121 -2.555 -3.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.164 -1.827 -1.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.583 -1.939 -0.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.269 -4.088 -0.401 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.678 -4.410 -2.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.186 -6.317 -1.343 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.102 -5.738 -0.056 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.428 -6.556 -1.486 1.00 0.00 H new ATOM 18 N ALA A 2 10.250 -2.001 -2.299 1.00 0.00 N ATOM 19 CA ALA A 2 8.869 -2.444 -2.211 1.00 0.00 C ATOM 20 C ALA A 2 8.008 -1.306 -1.661 1.00 0.00 C ATOM 21 O ALA A 2 8.530 -0.275 -1.238 1.00 0.00 O ATOM 22 CB ALA A 2 8.792 -3.704 -1.346 1.00 0.00 C ATOM 0 H ALA A 2 10.464 -1.162 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 2 8.484 -2.702 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.756 -4.037 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.398 -4.491 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.167 -3.483 -0.347 1.00 0.00 H new ATOM 28 N LEU A 3 6.702 -1.530 -1.684 1.00 0.00 N ATOM 29 CA LEU A 3 5.763 -0.536 -1.193 1.00 0.00 C ATOM 30 C LEU A 3 5.540 -0.748 0.306 1.00 0.00 C ATOM 31 O LEU A 3 6.148 -1.631 0.909 1.00 0.00 O ATOM 32 CB LEU A 3 4.474 -0.564 -2.016 1.00 0.00 C ATOM 33 CG LEU A 3 4.556 0.058 -3.412 1.00 0.00 C ATOM 34 CD1 LEU A 3 3.975 -0.884 -4.467 1.00 0.00 C ATOM 35 CD2 LEU A 3 3.885 1.433 -3.439 1.00 0.00 C ATOM 0 H LEU A 3 6.272 -2.386 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 3 6.171 0.467 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.155 -1.601 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.696 -0.046 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 3 5.607 0.207 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.046 -0.418 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.535 -1.819 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.929 -1.088 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.957 1.853 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.836 1.331 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.384 2.095 -2.731 1.00 0.00 H new ATOM 47 N THR A 4 4.667 0.077 0.864 1.00 0.00 N ATOM 48 CA THR A 4 4.356 -0.009 2.281 1.00 0.00 C ATOM 49 C THR A 4 2.974 0.585 2.561 1.00 0.00 C ATOM 50 O THR A 4 2.767 1.787 2.402 1.00 0.00 O ATOM 51 CB THR A 4 5.481 0.681 3.055 1.00 0.00 C ATOM 52 OG1 THR A 4 6.650 -0.049 2.691 1.00 0.00 O ATOM 53 CG2 THR A 4 5.367 0.471 4.566 1.00 0.00 C ATOM 0 H THR A 4 4.165 0.808 0.361 1.00 0.00 H new ATOM 0 HA THR A 4 4.303 -1.046 2.611 1.00 0.00 H new ATOM 0 HB THR A 4 5.471 1.749 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.395 -0.946 2.390 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.190 0.981 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.419 0.877 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.411 -0.595 4.790 1.00 0.00 H new ATOM 61 N LEU A 5 2.064 -0.285 2.973 1.00 0.00 N ATOM 62 CA LEU A 5 0.707 0.138 3.276 1.00 0.00 C ATOM 63 C LEU A 5 0.496 0.111 4.791 1.00 0.00 C ATOM 64 O LEU A 5 0.638 -0.935 5.423 1.00 0.00 O ATOM 65 CB LEU A 5 -0.304 -0.707 2.499 1.00 0.00 C ATOM 66 CG LEU A 5 -1.751 -0.645 2.994 1.00 0.00 C ATOM 67 CD1 LEU A 5 -2.544 0.422 2.237 1.00 0.00 C ATOM 68 CD2 LEU A 5 -2.417 -2.020 2.913 1.00 0.00 C ATOM 0 H LEU A 5 2.240 -1.281 3.104 1.00 0.00 H new ATOM 0 HA LEU A 5 0.546 1.165 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.284 -0.393 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.024 -1.746 2.526 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.741 -0.354 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.569 0.445 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.080 1.397 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.549 0.185 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.444 -1.948 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.416 -2.364 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.866 -2.728 3.532 1.00 0.00 H new ATOM 80 N TYR A 6 0.159 1.273 5.331 1.00 0.00 N ATOM 81 CA TYR A 6 -0.073 1.395 6.760 1.00 0.00 C ATOM 82 C TYR A 6 -1.475 0.908 7.131 1.00 0.00 C ATOM 83 O TYR A 6 -2.449 1.233 6.454 1.00 0.00 O ATOM 84 CB TYR A 6 0.036 2.888 7.079 1.00 0.00 C ATOM 85 CG TYR A 6 1.475 3.400 7.172 1.00 0.00 C ATOM 86 CD1 TYR A 6 2.293 2.977 8.200 1.00 0.00 C ATOM 87 CD2 TYR A 6 1.954 4.286 6.228 1.00 0.00 C ATOM 88 CE1 TYR A 6 3.647 3.460 8.288 1.00 0.00 C ATOM 89 CE2 TYR A 6 3.308 4.768 6.316 1.00 0.00 C ATOM 90 CZ TYR A 6 4.088 4.331 7.341 1.00 0.00 C ATOM 91 OH TYR A 6 5.366 4.787 7.424 1.00 0.00 O ATOM 0 H TYR A 6 0.041 2.139 4.804 1.00 0.00 H new ATOM 0 HA TYR A 6 0.645 0.794 7.318 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.491 3.453 6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.471 3.085 8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.918 2.284 8.938 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.314 4.617 5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.297 3.138 9.088 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.696 5.461 5.584 1.00 0.00 H new ATOM 0 HH TYR A 6 5.703 4.980 6.524 1.00 0.00 H new ATOM 101 N GLN A 7 -1.533 0.136 8.206 1.00 0.00 N ATOM 102 CA GLN A 7 -2.800 -0.399 8.676 1.00 0.00 C ATOM 103 C GLN A 7 -2.992 -0.084 10.161 1.00 0.00 C ATOM 104 O GLN A 7 -2.063 0.370 10.828 1.00 0.00 O ATOM 105 CB GLN A 7 -2.888 -1.905 8.420 1.00 0.00 C ATOM 106 CG GLN A 7 -1.830 -2.661 9.226 1.00 0.00 C ATOM 107 CD GLN A 7 -1.831 -4.150 8.873 1.00 0.00 C ATOM 108 OE1 GLN A 7 -0.642 -4.734 8.986 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 -2.845 -4.729 8.520 1.00 0.00 N flip ATOM 0 H GLN A 7 -0.723 -0.132 8.765 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.604 0.080 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.881 -2.266 8.688 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.752 -2.105 7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -0.845 -2.237 9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.022 -2.536 10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.726 -4.220 8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.811 -5.722 8.290 1.00 0.00 H new ATOM 118 N ARG A 8 -4.203 -0.337 10.635 1.00 0.00 N ATOM 119 CA ARG A 8 -4.529 -0.085 12.028 1.00 0.00 C ATOM 120 C ARG A 8 -5.012 -1.372 12.701 1.00 0.00 C ATOM 121 O ARG A 8 -5.059 -2.427 12.070 1.00 0.00 O ATOM 122 CB ARG A 8 -5.612 0.987 12.156 1.00 0.00 C ATOM 123 CG ARG A 8 -6.907 0.543 11.473 1.00 0.00 C ATOM 124 CD ARG A 8 -8.074 1.450 11.868 1.00 0.00 C ATOM 125 NE ARG A 8 -9.164 1.334 10.873 1.00 0.00 N ATOM 126 CZ ARG A 8 -10.368 1.905 11.008 1.00 0.00 C ATOM 127 NH1 ARG A 8 -10.645 2.636 12.097 1.00 0.00 N ATOM 128 NH2 ARG A 8 -11.296 1.746 10.055 1.00 0.00 N ATOM 0 H ARG A 8 -4.970 -0.714 10.079 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.624 0.270 12.521 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.804 1.191 13.209 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.262 1.918 11.710 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.777 0.562 10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.133 -0.487 11.748 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.442 1.174 12.856 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.736 2.484 11.931 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.987 0.785 10.032 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.939 2.757 12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.562 3.071 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.086 1.190 9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.213 2.181 10.158 1.00 0.00 H new ATOM 142 N ASP A 9 -5.361 -1.242 13.973 1.00 0.00 N ATOM 143 CA ASP A 9 -5.840 -2.381 14.737 1.00 0.00 C ATOM 144 C ASP A 9 -7.077 -2.965 14.053 1.00 0.00 C ATOM 145 O ASP A 9 -7.135 -4.164 13.785 1.00 0.00 O ATOM 146 CB ASP A 9 -6.235 -1.965 16.155 1.00 0.00 C ATOM 147 CG ASP A 9 -7.002 -3.024 16.950 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.907 -4.207 16.557 1.00 0.00 O ATOM 149 OD2 ASP A 9 -7.666 -2.627 17.932 1.00 0.00 O ATOM 0 H ASP A 9 -5.321 -0.365 14.493 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.036 -3.116 14.787 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.331 -1.703 16.705 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.845 -1.064 16.096 1.00 0.00 H new ATOM 154 N ASP A 10 -8.037 -2.090 13.790 1.00 0.00 N ATOM 155 CA ASP A 10 -9.270 -2.505 13.143 1.00 0.00 C ATOM 156 C ASP A 10 -8.963 -2.960 11.714 1.00 0.00 C ATOM 157 O ASP A 10 -7.800 -3.097 11.339 1.00 0.00 O ATOM 158 CB ASP A 10 -10.268 -1.347 13.066 1.00 0.00 C ATOM 159 CG ASP A 10 -11.737 -1.749 13.209 1.00 0.00 C ATOM 160 OD1 ASP A 10 -12.071 -2.857 12.737 1.00 0.00 O ATOM 161 OD2 ASP A 10 -12.493 -0.939 13.786 1.00 0.00 O ATOM 0 H ASP A 10 -7.986 -1.096 14.013 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.702 -3.316 13.729 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.026 -0.626 13.847 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.138 -0.838 12.111 1.00 0.00 H new ATOM 166 N CYS A 11 -10.027 -3.182 10.957 1.00 0.00 N ATOM 167 CA CYS A 11 -9.886 -3.619 9.578 1.00 0.00 C ATOM 168 C CYS A 11 -11.203 -3.345 8.850 1.00 0.00 C ATOM 169 O CYS A 11 -12.259 -3.815 9.271 1.00 0.00 O ATOM 170 CB CYS A 11 -9.481 -5.092 9.490 1.00 0.00 C ATOM 171 SG CYS A 11 -10.886 -6.157 9.979 1.00 0.00 S ATOM 0 H CYS A 11 -10.990 -3.068 11.272 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.083 -3.060 9.097 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.169 -5.332 8.474 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.626 -5.282 10.139 1.00 0.00 H new ATOM 0 HG CYS A 11 -11.998 -5.498 9.842 1.00 0.00 H new ATOM 177 N HIS A 12 -11.098 -2.585 7.769 1.00 0.00 N ATOM 178 CA HIS A 12 -12.268 -2.243 6.979 1.00 0.00 C ATOM 179 C HIS A 12 -11.846 -1.391 5.780 1.00 0.00 C ATOM 180 O HIS A 12 -12.105 -1.754 4.634 1.00 0.00 O ATOM 181 CB HIS A 12 -13.330 -1.563 7.845 1.00 0.00 C ATOM 182 CG HIS A 12 -14.749 -1.891 7.449 1.00 0.00 C ATOM 183 ND1 HIS A 12 -15.126 -2.127 6.138 1.00 0.00 N ATOM 184 CD2 HIS A 12 -15.878 -2.022 8.203 1.00 0.00 C ATOM 185 CE1 HIS A 12 -16.425 -2.386 6.116 1.00 0.00 C ATOM 186 NE2 HIS A 12 -16.890 -2.320 7.397 1.00 0.00 N ATOM 0 H HIS A 12 -10.221 -2.197 7.422 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.728 -3.152 6.591 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.177 -1.854 8.884 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.190 -0.483 7.793 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -15.939 -1.903 9.275 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.013 -2.610 5.238 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -17.856 -2.474 7.687 1.00 0.00 H new ATOM 194 N LEU A 13 -11.203 -0.274 6.086 1.00 0.00 N ATOM 195 CA LEU A 13 -10.743 0.633 5.048 1.00 0.00 C ATOM 196 C LEU A 13 -9.494 0.049 4.384 1.00 0.00 C ATOM 197 O LEU A 13 -9.299 0.201 3.179 1.00 0.00 O ATOM 198 CB LEU A 13 -10.537 2.038 5.617 1.00 0.00 C ATOM 199 CG LEU A 13 -10.598 3.186 4.607 1.00 0.00 C ATOM 200 CD1 LEU A 13 -11.977 3.265 3.949 1.00 0.00 C ATOM 201 CD2 LEU A 13 -10.197 4.511 5.259 1.00 0.00 C ATOM 0 H LEU A 13 -10.990 0.024 7.038 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.499 0.737 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.293 2.213 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.567 2.069 6.114 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.875 2.984 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.993 4.089 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.186 2.330 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.736 3.432 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.249 5.311 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.877 4.732 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.179 4.435 5.641 1.00 0.00 H new ATOM 213 N CYS A 14 -8.681 -0.606 5.199 1.00 0.00 N ATOM 214 CA CYS A 14 -7.456 -1.213 4.706 1.00 0.00 C ATOM 215 C CYS A 14 -7.833 -2.401 3.820 1.00 0.00 C ATOM 216 O CYS A 14 -7.084 -2.767 2.915 1.00 0.00 O ATOM 217 CB CYS A 14 -6.529 -1.625 5.851 1.00 0.00 C ATOM 218 SG CYS A 14 -6.227 -0.199 6.957 1.00 0.00 S ATOM 0 H CYS A 14 -8.846 -0.730 6.198 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.897 -0.486 4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.976 -2.444 6.414 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.584 -1.992 5.451 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.817 -0.627 8.114 1.00 0.00 H new ATOM 224 N ASP A 15 -8.993 -2.972 4.111 1.00 0.00 N ATOM 225 CA ASP A 15 -9.478 -4.112 3.351 1.00 0.00 C ATOM 226 C ASP A 15 -9.679 -3.699 1.892 1.00 0.00 C ATOM 227 O ASP A 15 -9.095 -4.294 0.988 1.00 0.00 O ATOM 228 CB ASP A 15 -10.821 -4.603 3.893 1.00 0.00 C ATOM 229 CG ASP A 15 -10.812 -5.018 5.366 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.696 -5.216 5.893 1.00 0.00 O ATOM 231 OD2 ASP A 15 -11.921 -5.128 5.932 1.00 0.00 O ATOM 0 H ASP A 15 -9.611 -2.666 4.863 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.741 -4.911 3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.560 -3.814 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.149 -5.453 3.294 1.00 0.00 H new ATOM 236 N GLN A 16 -10.508 -2.682 1.707 1.00 0.00 N ATOM 237 CA GLN A 16 -10.794 -2.182 0.373 1.00 0.00 C ATOM 238 C GLN A 16 -9.514 -1.661 -0.284 1.00 0.00 C ATOM 239 O GLN A 16 -9.424 -1.595 -1.509 1.00 0.00 O ATOM 240 CB GLN A 16 -11.870 -1.096 0.414 1.00 0.00 C ATOM 241 CG GLN A 16 -13.271 -1.710 0.375 1.00 0.00 C ATOM 242 CD GLN A 16 -14.221 -0.857 -0.469 1.00 0.00 C ATOM 243 OE1 GLN A 16 -14.291 -0.975 -1.681 1.00 0.00 O ATOM 244 NE2 GLN A 16 -14.946 0.005 0.238 1.00 0.00 N ATOM 0 H GLN A 16 -10.991 -2.191 2.459 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.179 -3.006 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.756 -0.500 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.742 -0.420 -0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.219 -2.718 -0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.661 -1.800 1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.838 0.052 1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.610 0.619 -0.233 1.00 0.00 H new ATOM 253 N ALA A 17 -8.556 -1.305 0.560 1.00 0.00 N ATOM 254 CA ALA A 17 -7.286 -0.793 0.076 1.00 0.00 C ATOM 255 C ALA A 17 -6.475 -1.940 -0.530 1.00 0.00 C ATOM 256 O ALA A 17 -5.979 -1.830 -1.650 1.00 0.00 O ATOM 257 CB ALA A 17 -6.546 -0.098 1.221 1.00 0.00 C ATOM 0 H ALA A 17 -8.634 -1.361 1.575 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.445 -0.052 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.593 0.286 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.151 0.727 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.367 -0.812 2.025 1.00 0.00 H new ATOM 263 N VAL A 18 -6.366 -3.015 0.237 1.00 0.00 N ATOM 264 CA VAL A 18 -5.624 -4.181 -0.210 1.00 0.00 C ATOM 265 C VAL A 18 -6.213 -4.680 -1.531 1.00 0.00 C ATOM 266 O VAL A 18 -5.481 -5.129 -2.411 1.00 0.00 O ATOM 267 CB VAL A 18 -5.620 -5.250 0.884 1.00 0.00 C ATOM 268 CG1 VAL A 18 -4.926 -6.526 0.403 1.00 0.00 C ATOM 269 CG2 VAL A 18 -4.970 -4.722 2.165 1.00 0.00 C ATOM 0 H VAL A 18 -6.779 -3.103 1.165 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.582 -3.922 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.657 -5.499 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.937 -7.269 1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.451 -6.920 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.895 -6.300 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.980 -5.502 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.940 -4.431 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.526 -3.856 2.525 1.00 0.00 H new ATOM 279 N GLU A 19 -7.531 -4.584 -1.627 1.00 0.00 N ATOM 280 CA GLU A 19 -8.227 -5.019 -2.826 1.00 0.00 C ATOM 281 C GLU A 19 -7.735 -4.231 -4.042 1.00 0.00 C ATOM 282 O GLU A 19 -7.372 -4.817 -5.060 1.00 0.00 O ATOM 283 CB GLU A 19 -9.742 -4.882 -2.661 1.00 0.00 C ATOM 284 CG GLU A 19 -10.448 -6.208 -2.952 1.00 0.00 C ATOM 285 CD GLU A 19 -11.671 -6.389 -2.051 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.653 -5.649 -2.272 1.00 0.00 O ATOM 287 OE2 GLU A 19 -11.595 -7.263 -1.160 1.00 0.00 O ATOM 0 H GLU A 19 -8.135 -4.212 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.006 -6.074 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.973 -4.558 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.116 -4.111 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.755 -6.239 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.754 -7.034 -2.799 1.00 0.00 H new ATOM 294 N ALA A 20 -7.739 -2.914 -3.895 1.00 0.00 N ATOM 295 CA ALA A 20 -7.298 -2.040 -4.968 1.00 0.00 C ATOM 296 C ALA A 20 -5.876 -2.425 -5.381 1.00 0.00 C ATOM 297 O ALA A 20 -5.556 -2.450 -6.569 1.00 0.00 O ATOM 298 CB ALA A 20 -7.398 -0.582 -4.513 1.00 0.00 C ATOM 0 H ALA A 20 -8.041 -2.431 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.938 -2.153 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.067 0.074 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.432 -0.350 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.766 -0.430 -3.638 1.00 0.00 H new ATOM 304 N LEU A 21 -5.061 -2.716 -4.378 1.00 0.00 N ATOM 305 CA LEU A 21 -3.680 -3.098 -4.623 1.00 0.00 C ATOM 306 C LEU A 21 -3.651 -4.348 -5.505 1.00 0.00 C ATOM 307 O LEU A 21 -3.066 -4.335 -6.587 1.00 0.00 O ATOM 308 CB LEU A 21 -2.927 -3.260 -3.301 1.00 0.00 C ATOM 309 CG LEU A 21 -1.978 -2.120 -2.925 1.00 0.00 C ATOM 310 CD1 LEU A 21 -1.888 -1.960 -1.406 1.00 0.00 C ATOM 311 CD2 LEU A 21 -0.602 -2.320 -3.563 1.00 0.00 C ATOM 0 H LEU A 21 -5.330 -2.695 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.157 -2.311 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.658 -3.376 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.352 -4.185 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.385 -1.191 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.207 -1.143 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.877 -1.738 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.516 -2.884 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.053 -1.496 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.173 -3.260 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.704 -2.346 -4.648 1.00 0.00 H new ATOM 323 N ALA A 22 -4.288 -5.398 -5.009 1.00 0.00 N ATOM 324 CA ALA A 22 -4.342 -6.654 -5.739 1.00 0.00 C ATOM 325 C ALA A 22 -4.926 -6.405 -7.131 1.00 0.00 C ATOM 326 O ALA A 22 -4.399 -6.900 -8.126 1.00 0.00 O ATOM 327 CB ALA A 22 -5.155 -7.674 -4.940 1.00 0.00 C ATOM 0 H ALA A 22 -4.771 -5.405 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.341 -7.065 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.196 -8.616 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.683 -7.837 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.167 -7.297 -4.791 1.00 0.00 H new ATOM 333 N GLN A 23 -6.006 -5.638 -7.157 1.00 0.00 N ATOM 334 CA GLN A 23 -6.666 -5.317 -8.411 1.00 0.00 C ATOM 335 C GLN A 23 -5.685 -4.640 -9.370 1.00 0.00 C ATOM 336 O GLN A 23 -5.654 -4.957 -10.558 1.00 0.00 O ATOM 337 CB GLN A 23 -7.896 -4.438 -8.173 1.00 0.00 C ATOM 338 CG GLN A 23 -9.114 -5.287 -7.803 1.00 0.00 C ATOM 339 CD GLN A 23 -10.323 -4.915 -8.663 1.00 0.00 C ATOM 340 OE1 GLN A 23 -10.200 -4.436 -9.779 1.00 0.00 O ATOM 341 NE2 GLN A 23 -11.495 -5.162 -8.085 1.00 0.00 N ATOM 0 H GLN A 23 -6.441 -5.229 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.007 -6.246 -8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.689 -3.725 -7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.112 -3.858 -9.070 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.880 -6.343 -7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.355 -5.144 -6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.527 -5.564 -7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.362 -4.949 -8.579 1.00 0.00 H new ATOM 350 N ALA A 24 -4.907 -3.720 -8.818 1.00 0.00 N ATOM 351 CA ALA A 24 -3.927 -2.996 -9.610 1.00 0.00 C ATOM 352 C ALA A 24 -2.710 -3.891 -9.850 1.00 0.00 C ATOM 353 O ALA A 24 -1.760 -3.487 -10.519 1.00 0.00 O ATOM 354 CB ALA A 24 -3.560 -1.692 -8.899 1.00 0.00 C ATOM 0 H ALA A 24 -4.935 -3.460 -7.832 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.339 -2.732 -10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.825 -1.148 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.454 -1.080 -8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.140 -1.918 -7.919 1.00 0.00 H new ATOM 360 N ARG A 25 -2.778 -5.091 -9.293 1.00 0.00 N ATOM 361 CA ARG A 25 -1.694 -6.047 -9.439 1.00 0.00 C ATOM 362 C ARG A 25 -0.357 -5.390 -9.090 1.00 0.00 C ATOM 363 O ARG A 25 0.650 -5.634 -9.752 1.00 0.00 O ATOM 364 CB ARG A 25 -1.629 -6.593 -10.867 1.00 0.00 C ATOM 365 CG ARG A 25 -2.901 -7.367 -11.216 1.00 0.00 C ATOM 366 CD ARG A 25 -3.255 -7.202 -12.695 1.00 0.00 C ATOM 367 NE ARG A 25 -4.725 -7.221 -12.869 1.00 0.00 N ATOM 368 CZ ARG A 25 -5.341 -7.202 -14.059 1.00 0.00 C ATOM 369 NH1 ARG A 25 -4.618 -7.165 -15.187 1.00 0.00 N ATOM 370 NH2 ARG A 25 -6.679 -7.222 -14.121 1.00 0.00 N ATOM 0 H ARG A 25 -3.568 -5.423 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.886 -6.874 -8.755 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.496 -5.770 -11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.762 -7.245 -10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.762 -8.424 -10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.727 -7.013 -10.599 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.848 -6.264 -13.072 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.801 -8.004 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.305 -7.250 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.599 -7.151 -15.140 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.087 -7.151 -16.093 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.229 -7.252 -13.262 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.148 -7.208 -15.027 1.00 0.00 H new ATOM 384 N ALA A 26 -0.391 -4.570 -8.050 1.00 0.00 N ATOM 385 CA ALA A 26 0.806 -3.876 -7.605 1.00 0.00 C ATOM 386 C ALA A 26 1.941 -4.887 -7.430 1.00 0.00 C ATOM 387 O ALA A 26 2.979 -4.779 -8.081 1.00 0.00 O ATOM 388 CB ALA A 26 0.503 -3.110 -6.316 1.00 0.00 C ATOM 0 H ALA A 26 -1.228 -4.370 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 26 1.126 -3.147 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.401 -2.590 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.289 -2.385 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.181 -3.809 -5.544 1.00 0.00 H new ATOM 394 N GLY A 27 1.705 -5.846 -6.547 1.00 0.00 N ATOM 395 CA GLY A 27 2.694 -6.876 -6.278 1.00 0.00 C ATOM 396 C GLY A 27 2.787 -7.168 -4.779 1.00 0.00 C ATOM 397 O GLY A 27 1.775 -7.176 -4.080 1.00 0.00 O ATOM 0 H GLY A 27 0.843 -5.932 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.430 -7.788 -6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.667 -6.557 -6.651 1.00 0.00 H new ATOM 401 N ALA A 28 4.012 -7.402 -4.329 1.00 0.00 N ATOM 402 CA ALA A 28 4.250 -7.694 -2.925 1.00 0.00 C ATOM 403 C ALA A 28 4.697 -6.417 -2.212 1.00 0.00 C ATOM 404 O ALA A 28 5.234 -5.506 -2.840 1.00 0.00 O ATOM 405 CB ALA A 28 5.280 -8.819 -2.806 1.00 0.00 C ATOM 0 H ALA A 28 4.849 -7.395 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 28 3.334 -8.037 -2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.459 -9.039 -1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.902 -9.712 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.213 -8.509 -3.276 1.00 0.00 H new ATOM 411 N PHE A 29 4.459 -6.391 -0.908 1.00 0.00 N ATOM 412 CA PHE A 29 4.830 -5.240 -0.102 1.00 0.00 C ATOM 413 C PHE A 29 4.834 -5.592 1.387 1.00 0.00 C ATOM 414 O PHE A 29 4.533 -6.724 1.761 1.00 0.00 O ATOM 415 CB PHE A 29 3.778 -4.158 -0.356 1.00 0.00 C ATOM 416 CG PHE A 29 2.337 -4.637 -0.174 1.00 0.00 C ATOM 417 CD1 PHE A 29 1.780 -4.662 1.066 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.612 -5.038 -1.253 1.00 0.00 C ATOM 419 CE1 PHE A 29 0.442 -5.107 1.235 1.00 0.00 C ATOM 420 CE2 PHE A 29 0.274 -5.482 -1.084 1.00 0.00 C ATOM 421 CZ PHE A 29 -0.283 -5.507 0.156 1.00 0.00 C ATOM 0 H PHE A 29 4.014 -7.149 -0.390 1.00 0.00 H new ATOM 0 HA PHE A 29 5.832 -4.904 -0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.960 -3.322 0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.899 -3.779 -1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.355 -4.343 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.054 -5.019 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.000 -5.128 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.302 -5.800 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.301 -5.844 0.284 1.00 0.00 H new ATOM 431 N PHE A 30 5.179 -4.601 2.195 1.00 0.00 N ATOM 432 CA PHE A 30 5.226 -4.791 3.635 1.00 0.00 C ATOM 433 C PHE A 30 4.159 -3.948 4.335 1.00 0.00 C ATOM 434 O PHE A 30 3.950 -2.788 3.984 1.00 0.00 O ATOM 435 CB PHE A 30 6.609 -4.332 4.102 1.00 0.00 C ATOM 436 CG PHE A 30 7.766 -5.132 3.500 1.00 0.00 C ATOM 437 CD1 PHE A 30 8.244 -4.814 2.267 1.00 0.00 C ATOM 438 CD2 PHE A 30 8.317 -6.161 4.198 1.00 0.00 C ATOM 439 CE1 PHE A 30 9.318 -5.556 1.708 1.00 0.00 C ATOM 440 CE2 PHE A 30 9.392 -6.903 3.639 1.00 0.00 C ATOM 441 CZ PHE A 30 9.869 -6.585 2.406 1.00 0.00 C ATOM 0 H PHE A 30 5.429 -3.664 1.880 1.00 0.00 H new ATOM 0 HA PHE A 30 5.041 -5.837 3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.737 -3.280 3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.657 -4.405 5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.807 -3.997 1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.938 -6.414 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.697 -5.303 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.830 -7.720 4.193 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.686 -7.150 1.981 1.00 0.00 H new ATOM 451 N SER A 31 3.511 -4.564 5.313 1.00 0.00 N ATOM 452 CA SER A 31 2.470 -3.884 6.065 1.00 0.00 C ATOM 453 C SER A 31 2.998 -3.482 7.443 1.00 0.00 C ATOM 454 O SER A 31 3.634 -4.284 8.127 1.00 0.00 O ATOM 455 CB SER A 31 1.229 -4.767 6.209 1.00 0.00 C ATOM 456 OG SER A 31 0.320 -4.593 5.126 1.00 0.00 O ATOM 0 H SER A 31 3.687 -5.526 5.602 1.00 0.00 H new ATOM 0 HA SER A 31 2.183 -2.987 5.517 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.533 -5.812 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.725 -4.533 7.146 1.00 0.00 H new ATOM 0 HG SER A 31 -0.458 -5.175 5.255 1.00 0.00 H new ATOM 462 N VAL A 32 2.717 -2.241 7.811 1.00 0.00 N ATOM 463 CA VAL A 32 3.156 -1.722 9.095 1.00 0.00 C ATOM 464 C VAL A 32 1.938 -1.257 9.896 1.00 0.00 C ATOM 465 O VAL A 32 1.151 -0.441 9.418 1.00 0.00 O ATOM 466 CB VAL A 32 4.192 -0.616 8.886 1.00 0.00 C ATOM 467 CG1 VAL A 32 4.644 -0.028 10.225 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.388 -1.130 8.082 1.00 0.00 C ATOM 0 H VAL A 32 2.190 -1.579 7.242 1.00 0.00 H new ATOM 0 HA VAL A 32 3.647 -2.503 9.675 1.00 0.00 H new ATOM 0 HB VAL A 32 3.720 0.181 8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.380 0.756 10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.784 0.393 10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.090 -0.813 10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.109 -0.324 7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.860 -1.954 8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.048 -1.479 7.107 1.00 0.00 H new ATOM 478 N PHE A 33 1.820 -1.796 11.100 1.00 0.00 N ATOM 479 CA PHE A 33 0.711 -1.446 11.972 1.00 0.00 C ATOM 480 C PHE A 33 1.012 -0.165 12.754 1.00 0.00 C ATOM 481 O PHE A 33 2.036 -0.071 13.427 1.00 0.00 O ATOM 482 CB PHE A 33 0.535 -2.602 12.958 1.00 0.00 C ATOM 483 CG PHE A 33 0.288 -3.957 12.291 1.00 0.00 C ATOM 484 CD1 PHE A 33 1.340 -4.746 11.945 1.00 0.00 C ATOM 485 CD2 PHE A 33 -0.984 -4.371 12.045 1.00 0.00 C ATOM 486 CE1 PHE A 33 1.110 -6.003 11.326 1.00 0.00 C ATOM 487 CE2 PHE A 33 -1.213 -5.628 11.426 1.00 0.00 C ATOM 488 CZ PHE A 33 -0.162 -6.418 11.080 1.00 0.00 C ATOM 0 H PHE A 33 2.474 -2.473 11.493 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.188 -1.276 11.380 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.426 -2.673 13.582 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.301 -2.377 13.620 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.350 -4.417 12.141 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.819 -3.744 12.320 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.945 -6.630 11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.223 -5.957 11.230 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.337 -7.375 10.610 1.00 0.00 H new ATOM 498 N ILE A 34 0.099 0.788 12.638 1.00 0.00 N ATOM 499 CA ILE A 34 0.253 2.059 13.326 1.00 0.00 C ATOM 500 C ILE A 34 -0.164 1.896 14.789 1.00 0.00 C ATOM 501 O ILE A 34 0.138 2.749 15.622 1.00 0.00 O ATOM 502 CB ILE A 34 -0.508 3.163 12.589 1.00 0.00 C ATOM 503 CG1 ILE A 34 -2.018 3.010 12.781 1.00 0.00 C ATOM 504 CG2 ILE A 34 -0.120 3.203 11.109 1.00 0.00 C ATOM 505 CD1 ILE A 34 -2.708 4.376 12.807 1.00 0.00 C ATOM 0 H ILE A 34 -0.750 0.706 12.078 1.00 0.00 H new ATOM 0 HA ILE A 34 1.298 2.369 13.325 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.223 4.122 13.023 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.431 2.405 11.974 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.218 2.480 13.712 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.675 3.996 10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.949 3.395 11.018 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.357 2.246 10.645 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.781 4.239 12.945 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.309 4.969 13.630 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.526 4.893 11.865 1.00 0.00 H new ATOM 517 N ASP A 35 -0.850 0.795 15.056 1.00 0.00 N ATOM 518 CA ASP A 35 -1.311 0.509 16.404 1.00 0.00 C ATOM 519 C ASP A 35 -0.124 0.565 17.367 1.00 0.00 C ATOM 520 O ASP A 35 0.971 0.114 17.035 1.00 0.00 O ATOM 521 CB ASP A 35 -1.926 -0.889 16.491 1.00 0.00 C ATOM 522 CG ASP A 35 -2.486 -1.265 17.864 1.00 0.00 C ATOM 523 OD1 ASP A 35 -3.067 -0.364 18.506 1.00 0.00 O ATOM 524 OD2 ASP A 35 -2.319 -2.445 18.241 1.00 0.00 O ATOM 0 H ASP A 35 -1.098 0.090 14.362 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.065 1.251 16.667 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.727 -0.963 15.756 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.168 -1.621 16.212 1.00 0.00 H new ATOM 529 N ASP A 36 -0.381 1.123 18.541 1.00 0.00 N ATOM 530 CA ASP A 36 0.653 1.244 19.555 1.00 0.00 C ATOM 531 C ASP A 36 1.509 2.477 19.259 1.00 0.00 C ATOM 532 O ASP A 36 1.696 3.330 20.126 1.00 0.00 O ATOM 533 CB ASP A 36 1.571 0.020 19.554 1.00 0.00 C ATOM 534 CG ASP A 36 2.041 -0.436 20.936 1.00 0.00 C ATOM 535 OD1 ASP A 36 1.233 -0.310 21.881 1.00 0.00 O ATOM 536 OD2 ASP A 36 3.199 -0.901 21.017 1.00 0.00 O ATOM 0 H ASP A 36 -1.290 1.496 18.813 1.00 0.00 H new ATOM 0 HA ASP A 36 0.165 1.328 20.526 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.048 -0.807 19.073 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.447 0.242 18.944 1.00 0.00 H new ATOM 541 N ASP A 37 2.007 2.532 18.033 1.00 0.00 N ATOM 542 CA ASP A 37 2.839 3.647 17.612 1.00 0.00 C ATOM 543 C ASP A 37 1.989 4.918 17.553 1.00 0.00 C ATOM 544 O ASP A 37 1.276 5.148 16.578 1.00 0.00 O ATOM 545 CB ASP A 37 3.422 3.403 16.219 1.00 0.00 C ATOM 546 CG ASP A 37 4.832 2.808 16.204 1.00 0.00 C ATOM 547 OD1 ASP A 37 4.922 1.562 16.243 1.00 0.00 O ATOM 548 OD2 ASP A 37 5.787 3.613 16.152 1.00 0.00 O ATOM 0 H ASP A 37 1.851 1.823 17.317 1.00 0.00 H new ATOM 0 HA ASP A 37 3.652 3.752 18.330 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.756 2.734 15.675 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.437 4.349 15.677 1.00 0.00 H new ATOM 553 N ALA A 38 2.094 5.711 18.609 1.00 0.00 N ATOM 554 CA ALA A 38 1.344 6.953 18.690 1.00 0.00 C ATOM 555 C ALA A 38 1.869 7.930 17.636 1.00 0.00 C ATOM 556 O ALA A 38 1.119 8.759 17.124 1.00 0.00 O ATOM 557 CB ALA A 38 1.442 7.517 20.109 1.00 0.00 C ATOM 0 H ALA A 38 2.687 5.518 19.416 1.00 0.00 H new ATOM 0 HA ALA A 38 0.289 6.779 18.481 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.879 8.449 20.170 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.029 6.797 20.816 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.487 7.708 20.353 1.00 0.00 H new ATOM 563 N ALA A 39 3.155 7.800 17.343 1.00 0.00 N ATOM 564 CA ALA A 39 3.789 8.661 16.359 1.00 0.00 C ATOM 565 C ALA A 39 3.140 8.431 14.993 1.00 0.00 C ATOM 566 O ALA A 39 2.764 9.384 14.313 1.00 0.00 O ATOM 567 CB ALA A 39 5.295 8.393 16.342 1.00 0.00 C ATOM 0 H ALA A 39 3.775 7.111 17.770 1.00 0.00 H new ATOM 0 HA ALA A 39 3.647 9.710 16.618 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.771 9.039 15.604 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.712 8.599 17.328 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.476 7.350 16.082 1.00 0.00 H new ATOM 573 N LEU A 40 3.028 7.161 14.632 1.00 0.00 N ATOM 574 CA LEU A 40 2.431 6.795 13.360 1.00 0.00 C ATOM 575 C LEU A 40 0.932 7.100 13.397 1.00 0.00 C ATOM 576 O LEU A 40 0.341 7.453 12.378 1.00 0.00 O ATOM 577 CB LEU A 40 2.754 5.339 13.016 1.00 0.00 C ATOM 578 CG LEU A 40 4.236 4.960 13.025 1.00 0.00 C ATOM 579 CD1 LEU A 40 4.415 3.443 12.948 1.00 0.00 C ATOM 580 CD2 LEU A 40 4.994 5.684 11.910 1.00 0.00 C ATOM 0 H LEU A 40 3.341 6.373 15.199 1.00 0.00 H new ATOM 0 HA LEU A 40 2.858 7.392 12.554 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.231 4.695 13.723 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.350 5.122 12.027 1.00 0.00 H new ATOM 0 HG LEU A 40 4.666 5.287 13.972 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.478 3.201 12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.930 2.975 13.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.965 3.070 12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.045 5.397 11.939 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.569 5.410 10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.908 6.761 12.052 1.00 0.00 H new ATOM 592 N GLU A 41 0.361 6.952 14.584 1.00 0.00 N ATOM 593 CA GLU A 41 -1.058 7.208 14.768 1.00 0.00 C ATOM 594 C GLU A 41 -1.366 8.688 14.531 1.00 0.00 C ATOM 595 O GLU A 41 -2.313 9.023 13.823 1.00 0.00 O ATOM 596 CB GLU A 41 -1.518 6.767 16.159 1.00 0.00 C ATOM 597 CG GLU A 41 -1.557 5.242 16.266 1.00 0.00 C ATOM 598 CD GLU A 41 -2.997 4.735 16.364 1.00 0.00 C ATOM 599 OE1 GLU A 41 -3.875 5.402 15.775 1.00 0.00 O ATOM 600 OE2 GLU A 41 -3.189 3.692 17.026 1.00 0.00 O ATOM 0 H GLU A 41 0.855 6.658 15.427 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.612 6.621 14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.843 7.171 16.914 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.508 7.175 16.365 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.071 4.800 15.396 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.994 4.921 17.143 1.00 0.00 H new ATOM 607 N SER A 42 -0.547 9.534 15.139 1.00 0.00 N ATOM 608 CA SER A 42 -0.720 10.970 15.003 1.00 0.00 C ATOM 609 C SER A 42 -0.290 11.420 13.605 1.00 0.00 C ATOM 610 O SER A 42 -0.801 12.409 13.083 1.00 0.00 O ATOM 611 CB SER A 42 0.077 11.724 16.071 1.00 0.00 C ATOM 612 OG SER A 42 -0.742 12.626 16.810 1.00 0.00 O ATOM 0 H SER A 42 0.238 9.252 15.727 1.00 0.00 H new ATOM 0 HA SER A 42 -1.776 11.202 15.143 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.536 11.009 16.753 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.888 12.276 15.596 1.00 0.00 H new ATOM 0 HG SER A 42 -0.198 13.086 17.482 1.00 0.00 H new ATOM 618 N ALA A 43 0.644 10.670 13.039 1.00 0.00 N ATOM 619 CA ALA A 43 1.148 10.979 11.711 1.00 0.00 C ATOM 620 C ALA A 43 0.072 10.651 10.673 1.00 0.00 C ATOM 621 O ALA A 43 -0.153 11.423 9.742 1.00 0.00 O ATOM 622 CB ALA A 43 2.448 10.211 11.467 1.00 0.00 C ATOM 0 H ALA A 43 1.065 9.850 13.475 1.00 0.00 H new ATOM 0 HA ALA A 43 1.376 12.041 11.624 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.826 10.443 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.188 10.502 12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.258 9.140 11.543 1.00 0.00 H new ATOM 628 N TYR A 44 -0.563 9.505 10.868 1.00 0.00 N ATOM 629 CA TYR A 44 -1.609 9.065 9.961 1.00 0.00 C ATOM 630 C TYR A 44 -2.966 9.028 10.666 1.00 0.00 C ATOM 631 O TYR A 44 -3.864 9.799 10.332 1.00 0.00 O ATOM 632 CB TYR A 44 -1.229 7.645 9.536 1.00 0.00 C ATOM 633 CG TYR A 44 0.107 7.553 8.795 1.00 0.00 C ATOM 634 CD1 TYR A 44 0.312 8.292 7.648 1.00 0.00 C ATOM 635 CD2 TYR A 44 1.106 6.731 9.275 1.00 0.00 C ATOM 636 CE1 TYR A 44 1.569 8.206 6.951 1.00 0.00 C ATOM 637 CE2 TYR A 44 2.363 6.645 8.577 1.00 0.00 C ATOM 638 CZ TYR A 44 2.532 7.386 7.450 1.00 0.00 C ATOM 639 OH TYR A 44 3.720 7.305 6.791 1.00 0.00 O ATOM 0 H TYR A 44 -0.373 8.867 11.641 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.694 9.746 9.114 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.186 7.011 10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.016 7.246 8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.470 8.935 7.273 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.946 6.153 10.173 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.743 8.780 6.053 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.154 6.006 8.941 1.00 0.00 H new ATOM 0 HH TYR A 44 4.107 6.414 6.922 1.00 0.00 H new ATOM 649 N GLY A 45 -3.073 8.123 11.628 1.00 0.00 N ATOM 650 CA GLY A 45 -4.306 7.975 12.382 1.00 0.00 C ATOM 651 C GLY A 45 -5.475 7.626 11.460 1.00 0.00 C ATOM 652 O GLY A 45 -5.821 6.456 11.305 1.00 0.00 O ATOM 0 H GLY A 45 -2.326 7.485 11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.185 7.194 13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.523 8.900 12.916 1.00 0.00 H new ATOM 656 N LEU A 46 -6.052 8.663 10.870 1.00 0.00 N ATOM 657 CA LEU A 46 -7.176 8.481 9.967 1.00 0.00 C ATOM 658 C LEU A 46 -6.652 8.111 8.578 1.00 0.00 C ATOM 659 O LEU A 46 -7.347 7.454 7.804 1.00 0.00 O ATOM 660 CB LEU A 46 -8.077 9.717 9.976 1.00 0.00 C ATOM 661 CG LEU A 46 -9.395 9.581 10.741 1.00 0.00 C ATOM 662 CD1 LEU A 46 -10.282 8.503 10.115 1.00 0.00 C ATOM 663 CD2 LEU A 46 -9.142 9.324 12.228 1.00 0.00 C ATOM 0 H LEU A 46 -5.762 9.632 11.000 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.805 7.656 10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.516 10.548 10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.305 9.984 8.944 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.934 10.526 10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.213 8.426 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.503 8.769 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.763 7.545 10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.095 9.231 12.749 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.573 8.402 12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.577 10.155 12.650 1.00 0.00 H new ATOM 675 N ARG A 47 -5.432 8.549 8.304 1.00 0.00 N ATOM 676 CA ARG A 47 -4.808 8.272 7.022 1.00 0.00 C ATOM 677 C ARG A 47 -4.033 6.954 7.082 1.00 0.00 C ATOM 678 O ARG A 47 -2.976 6.822 6.466 1.00 0.00 O ATOM 679 CB ARG A 47 -3.854 9.398 6.619 1.00 0.00 C ATOM 680 CG ARG A 47 -4.618 10.699 6.363 1.00 0.00 C ATOM 681 CD ARG A 47 -4.210 11.781 7.364 1.00 0.00 C ATOM 682 NE ARG A 47 -4.121 13.092 6.683 1.00 0.00 N ATOM 683 CZ ARG A 47 -4.003 14.264 7.322 1.00 0.00 C ATOM 684 NH1 ARG A 47 -3.959 14.296 8.661 1.00 0.00 N ATOM 685 NH2 ARG A 47 -3.929 15.405 6.622 1.00 0.00 N ATOM 0 H ARG A 47 -4.859 9.094 8.948 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.600 8.198 6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.117 9.554 7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.306 9.111 5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.423 11.046 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.690 10.516 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.937 11.831 8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.249 11.529 7.813 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.151 13.104 5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.015 13.428 9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.869 15.188 9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.963 15.381 5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.839 16.297 7.109 1.00 0.00 H new ATOM 699 N VAL A 48 -4.589 6.011 7.829 1.00 0.00 N ATOM 700 CA VAL A 48 -3.963 4.708 7.977 1.00 0.00 C ATOM 701 C VAL A 48 -3.770 4.080 6.596 1.00 0.00 C ATOM 702 O VAL A 48 -2.681 3.608 6.271 1.00 0.00 O ATOM 703 CB VAL A 48 -4.791 3.835 8.922 1.00 0.00 C ATOM 704 CG1 VAL A 48 -4.847 2.389 8.424 1.00 0.00 C ATOM 705 CG2 VAL A 48 -4.248 3.902 10.350 1.00 0.00 C ATOM 0 H VAL A 48 -5.466 6.123 8.338 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.976 4.807 8.429 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.808 4.226 8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.441 1.789 9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.303 2.362 7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.837 1.984 8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.855 3.272 11.000 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.217 3.550 10.364 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.284 4.932 10.705 1.00 0.00 H new ATOM 715 N PRO A 49 -4.872 4.093 5.800 1.00 0.00 N ATOM 716 CA PRO A 49 -4.835 3.530 4.461 1.00 0.00 C ATOM 717 C PRO A 49 -4.086 4.453 3.498 1.00 0.00 C ATOM 718 O PRO A 49 -4.700 5.118 2.665 1.00 0.00 O ATOM 719 CB PRO A 49 -6.292 3.329 4.078 1.00 0.00 C ATOM 720 CG PRO A 49 -7.096 4.211 5.018 1.00 0.00 C ATOM 721 CD PRO A 49 -6.179 4.642 6.151 1.00 0.00 C ATOM 0 HA PRO A 49 -4.291 2.586 4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.464 3.607 3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.582 2.283 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.483 5.081 4.488 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.956 3.668 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.142 5.728 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.526 4.256 7.110 1.00 0.00 H new ATOM 729 N VAL A 50 -2.769 4.465 3.644 1.00 0.00 N ATOM 730 CA VAL A 50 -1.929 5.296 2.798 1.00 0.00 C ATOM 731 C VAL A 50 -0.910 4.414 2.075 1.00 0.00 C ATOM 732 O VAL A 50 -0.168 3.667 2.711 1.00 0.00 O ATOM 733 CB VAL A 50 -1.278 6.402 3.632 1.00 0.00 C ATOM 734 CG1 VAL A 50 -0.033 6.953 2.934 1.00 0.00 C ATOM 735 CG2 VAL A 50 -2.277 7.520 3.935 1.00 0.00 C ATOM 0 H VAL A 50 -2.263 3.912 4.336 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.528 5.793 2.035 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.965 5.967 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.411 7.737 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.690 6.150 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.312 7.365 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.789 8.293 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.634 7.952 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.121 7.113 4.492 1.00 0.00 H new ATOM 745 N LEU A 51 -0.906 4.530 0.755 1.00 0.00 N ATOM 746 CA LEU A 51 0.010 3.752 -0.062 1.00 0.00 C ATOM 747 C LEU A 51 1.260 4.584 -0.351 1.00 0.00 C ATOM 748 O LEU A 51 1.186 5.607 -1.030 1.00 0.00 O ATOM 749 CB LEU A 51 -0.695 3.242 -1.321 1.00 0.00 C ATOM 750 CG LEU A 51 0.012 2.115 -2.075 1.00 0.00 C ATOM 751 CD1 LEU A 51 1.086 1.461 -1.204 1.00 0.00 C ATOM 752 CD2 LEU A 51 -0.997 1.093 -2.604 1.00 0.00 C ATOM 0 H LEU A 51 -1.523 5.151 0.231 1.00 0.00 H new ATOM 0 HA LEU A 51 0.337 2.861 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.690 2.897 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.829 4.081 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 51 0.517 2.547 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.573 0.663 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.827 2.208 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.625 1.046 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.469 0.302 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.550 0.662 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.692 1.586 -3.284 1.00 0.00 H new ATOM 764 N ARG A 52 2.381 4.115 0.178 1.00 0.00 N ATOM 765 CA ARG A 52 3.646 4.803 -0.015 1.00 0.00 C ATOM 766 C ARG A 52 4.606 3.931 -0.827 1.00 0.00 C ATOM 767 O ARG A 52 4.391 2.728 -0.965 1.00 0.00 O ATOM 768 CB ARG A 52 4.294 5.151 1.326 1.00 0.00 C ATOM 769 CG ARG A 52 4.780 3.890 2.044 1.00 0.00 C ATOM 770 CD ARG A 52 6.254 4.016 2.435 1.00 0.00 C ATOM 771 NE ARG A 52 6.441 3.595 3.842 1.00 0.00 N ATOM 772 CZ ARG A 52 7.568 3.792 4.540 1.00 0.00 C ATOM 773 NH1 ARG A 52 8.614 4.403 3.967 1.00 0.00 N ATOM 774 NH2 ARG A 52 7.649 3.377 5.812 1.00 0.00 N ATOM 0 H ARG A 52 2.439 3.266 0.741 1.00 0.00 H new ATOM 0 HA ARG A 52 3.442 5.726 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.133 5.828 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.576 5.678 1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.177 3.719 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.644 3.023 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.867 3.400 1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.586 5.046 2.308 1.00 0.00 H new ATOM 0 HE ARG A 52 5.665 3.126 4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.553 4.719 2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.471 4.553 4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.853 2.911 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.507 3.527 6.344 1.00 0.00 H new ATOM 788 N ASP A 53 5.645 4.572 -1.342 1.00 0.00 N ATOM 789 CA ASP A 53 6.638 3.870 -2.136 1.00 0.00 C ATOM 790 C ASP A 53 8.018 4.057 -1.501 1.00 0.00 C ATOM 791 O ASP A 53 8.181 4.869 -0.592 1.00 0.00 O ATOM 792 CB ASP A 53 6.695 4.423 -3.562 1.00 0.00 C ATOM 793 CG ASP A 53 6.066 3.526 -4.629 1.00 0.00 C ATOM 794 OD1 ASP A 53 6.485 2.350 -4.701 1.00 0.00 O ATOM 795 OD2 ASP A 53 5.181 4.036 -5.349 1.00 0.00 O ATOM 0 H ASP A 53 5.820 5.570 -1.225 1.00 0.00 H new ATOM 0 HA ASP A 53 6.360 2.817 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.193 5.391 -3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.738 4.599 -3.826 1.00 0.00 H new ATOM 800 N PRO A 54 9.000 3.272 -2.019 1.00 0.00 N ATOM 801 CA PRO A 54 10.360 3.343 -1.512 1.00 0.00 C ATOM 802 C PRO A 54 11.063 4.609 -2.006 1.00 0.00 C ATOM 803 O PRO A 54 11.974 5.113 -1.350 1.00 0.00 O ATOM 804 CB PRO A 54 11.027 2.066 -1.995 1.00 0.00 C ATOM 805 CG PRO A 54 10.166 1.552 -3.137 1.00 0.00 C ATOM 806 CD PRO A 54 8.843 2.299 -3.096 1.00 0.00 C ATOM 0 HA PRO A 54 10.401 3.411 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.046 2.260 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.091 1.331 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.665 1.711 -4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.002 0.479 -3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.636 2.791 -4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.012 1.622 -2.900 1.00 0.00 H new ATOM 814 N MET A 55 10.614 5.086 -3.157 1.00 0.00 N ATOM 815 CA MET A 55 11.190 6.283 -3.746 1.00 0.00 C ATOM 816 C MET A 55 10.970 7.499 -2.843 1.00 0.00 C ATOM 817 O MET A 55 11.911 8.232 -2.544 1.00 0.00 O ATOM 818 CB MET A 55 10.549 6.539 -5.112 1.00 0.00 C ATOM 819 CG MET A 55 11.482 6.108 -6.245 1.00 0.00 C ATOM 820 SD MET A 55 12.475 7.492 -6.778 1.00 0.00 S ATOM 821 CE MET A 55 11.574 7.975 -8.242 1.00 0.00 C ATOM 0 H MET A 55 9.858 4.666 -3.698 1.00 0.00 H new ATOM 0 HA MET A 55 12.263 6.129 -3.861 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.608 5.994 -5.184 1.00 0.00 H new ATOM 0 HB3 MET A 55 10.312 7.598 -5.214 1.00 0.00 H new ATOM 0 HG2 MET A 55 12.126 5.296 -5.908 1.00 0.00 H new ATOM 0 HG3 MET A 55 10.898 5.725 -7.082 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.020 8.876 -8.663 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.616 7.171 -8.977 1.00 0.00 H new ATOM 0 HE3 MET A 55 10.535 8.173 -7.981 1.00 0.00 H new ATOM 831 N GLY A 56 9.722 7.674 -2.434 1.00 0.00 N ATOM 832 CA GLY A 56 9.367 8.788 -1.571 1.00 0.00 C ATOM 833 C GLY A 56 8.072 9.454 -2.041 1.00 0.00 C ATOM 834 O GLY A 56 7.988 10.679 -2.107 1.00 0.00 O ATOM 0 H GLY A 56 8.944 7.063 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.248 8.436 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.175 9.520 -1.564 1.00 0.00 H new ATOM 838 N ARG A 57 7.094 8.617 -2.355 1.00 0.00 N ATOM 839 CA ARG A 57 5.807 9.109 -2.817 1.00 0.00 C ATOM 840 C ARG A 57 4.671 8.334 -2.147 1.00 0.00 C ATOM 841 O ARG A 57 4.878 7.230 -1.648 1.00 0.00 O ATOM 842 CB ARG A 57 5.679 8.977 -4.336 1.00 0.00 C ATOM 843 CG ARG A 57 6.907 9.556 -5.042 1.00 0.00 C ATOM 844 CD ARG A 57 6.497 10.412 -6.242 1.00 0.00 C ATOM 845 NE ARG A 57 7.660 10.629 -7.130 1.00 0.00 N ATOM 846 CZ ARG A 57 8.578 11.588 -6.947 1.00 0.00 C ATOM 847 NH1 ARG A 57 8.473 12.425 -5.906 1.00 0.00 N ATOM 848 NH2 ARG A 57 9.600 11.710 -7.805 1.00 0.00 N ATOM 0 H ARG A 57 7.167 7.601 -2.299 1.00 0.00 H new ATOM 0 HA ARG A 57 5.740 10.163 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.562 7.927 -4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.782 9.495 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.483 10.159 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.556 8.746 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.695 9.920 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.107 11.370 -5.899 1.00 0.00 H new ATOM 0 HE ARG A 57 7.770 10.009 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.695 12.332 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.171 13.155 -5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.679 11.073 -8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.299 12.440 -7.666 1.00 0.00 H new ATOM 862 N GLU A 58 3.495 8.944 -2.157 1.00 0.00 N ATOM 863 CA GLU A 58 2.325 8.325 -1.557 1.00 0.00 C ATOM 864 C GLU A 58 1.095 8.548 -2.439 1.00 0.00 C ATOM 865 O GLU A 58 1.104 9.409 -3.318 1.00 0.00 O ATOM 866 CB GLU A 58 2.089 8.857 -0.142 1.00 0.00 C ATOM 867 CG GLU A 58 2.452 10.341 -0.047 1.00 0.00 C ATOM 868 CD GLU A 58 1.450 11.202 -0.819 1.00 0.00 C ATOM 869 OE1 GLU A 58 0.238 10.947 -0.655 1.00 0.00 O ATOM 870 OE2 GLU A 58 1.920 12.095 -1.556 1.00 0.00 O ATOM 0 H GLU A 58 3.327 9.861 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 58 2.504 7.252 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.044 8.716 0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.686 8.286 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.471 10.648 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.455 10.500 -0.444 1.00 0.00 H new ATOM 877 N LEU A 59 0.066 7.756 -2.175 1.00 0.00 N ATOM 878 CA LEU A 59 -1.169 7.855 -2.934 1.00 0.00 C ATOM 879 C LEU A 59 -2.345 8.009 -1.968 1.00 0.00 C ATOM 880 O LEU A 59 -2.325 7.461 -0.867 1.00 0.00 O ATOM 881 CB LEU A 59 -1.309 6.668 -3.888 1.00 0.00 C ATOM 882 CG LEU A 59 -2.343 6.822 -5.005 1.00 0.00 C ATOM 883 CD1 LEU A 59 -2.013 8.022 -5.895 1.00 0.00 C ATOM 884 CD2 LEU A 59 -2.477 5.529 -5.812 1.00 0.00 C ATOM 0 H LEU A 59 0.062 7.043 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.157 8.743 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.337 6.477 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.565 5.785 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.313 7.017 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.763 8.109 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.010 8.931 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.030 7.882 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.218 5.667 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.515 5.278 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.793 4.720 -5.153 1.00 0.00 H new ATOM 896 N ASP A 60 -3.343 8.758 -2.415 1.00 0.00 N ATOM 897 CA ASP A 60 -4.526 8.991 -1.604 1.00 0.00 C ATOM 898 C ASP A 60 -5.172 7.649 -1.254 1.00 0.00 C ATOM 899 O ASP A 60 -5.058 6.686 -2.011 1.00 0.00 O ATOM 900 CB ASP A 60 -5.557 9.829 -2.361 1.00 0.00 C ATOM 901 CG ASP A 60 -4.969 10.896 -3.288 1.00 0.00 C ATOM 902 OD1 ASP A 60 -4.267 10.495 -4.241 1.00 0.00 O ATOM 903 OD2 ASP A 60 -5.235 12.088 -3.021 1.00 0.00 O ATOM 0 H ASP A 60 -3.356 9.211 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.218 9.525 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.183 9.160 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.208 10.318 -1.636 1.00 0.00 H new ATOM 908 N TRP A 61 -5.836 7.629 -0.108 1.00 0.00 N ATOM 909 CA TRP A 61 -6.500 6.421 0.350 1.00 0.00 C ATOM 910 C TRP A 61 -7.454 5.957 -0.753 1.00 0.00 C ATOM 911 O TRP A 61 -7.384 4.813 -1.198 1.00 0.00 O ATOM 912 CB TRP A 61 -7.204 6.656 1.688 1.00 0.00 C ATOM 913 CG TRP A 61 -8.619 6.078 1.757 1.00 0.00 C ATOM 914 CD1 TRP A 61 -9.741 6.689 2.163 1.00 0.00 C ATOM 915 CD2 TRP A 61 -9.020 4.741 1.392 1.00 0.00 C ATOM 916 NE1 TRP A 61 -10.831 5.847 2.086 1.00 0.00 N ATOM 917 CE2 TRP A 61 -10.379 4.625 1.602 1.00 0.00 C ATOM 918 CE3 TRP A 61 -8.260 3.665 0.901 1.00 0.00 C ATOM 919 CZ2 TRP A 61 -11.097 3.450 1.348 1.00 0.00 C ATOM 920 CZ3 TRP A 61 -8.992 2.498 0.652 1.00 0.00 C ATOM 921 CH2 TRP A 61 -10.360 2.365 0.858 1.00 0.00 C ATOM 0 H TRP A 61 -5.928 8.430 0.517 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.774 5.630 0.537 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.604 6.216 2.485 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.251 7.728 1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.786 7.712 2.507 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.792 6.079 2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -7.196 3.733 0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.161 3.384 1.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -8.456 1.640 0.273 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.853 1.429 0.641 1.00 0.00 H new ATOM 932 N PRO A 62 -8.345 6.894 -1.173 1.00 0.00 N ATOM 933 CA PRO A 62 -9.311 6.594 -2.216 1.00 0.00 C ATOM 934 C PRO A 62 -8.642 6.564 -3.591 1.00 0.00 C ATOM 935 O PRO A 62 -8.171 7.590 -4.079 1.00 0.00 O ATOM 936 CB PRO A 62 -10.371 7.676 -2.095 1.00 0.00 C ATOM 937 CG PRO A 62 -9.727 8.802 -1.302 1.00 0.00 C ATOM 938 CD PRO A 62 -8.457 8.260 -0.669 1.00 0.00 C ATOM 0 HA PRO A 62 -9.756 5.605 -2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.689 8.023 -3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.259 7.298 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.499 9.645 -1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.410 9.167 -0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.589 8.857 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.519 8.277 0.419 1.00 0.00 H new ATOM 946 N PHE A 63 -8.620 5.376 -4.178 1.00 0.00 N ATOM 947 CA PHE A 63 -8.016 5.199 -5.488 1.00 0.00 C ATOM 948 C PHE A 63 -8.692 4.060 -6.254 1.00 0.00 C ATOM 949 O PHE A 63 -9.719 3.540 -5.821 1.00 0.00 O ATOM 950 CB PHE A 63 -6.546 4.840 -5.258 1.00 0.00 C ATOM 951 CG PHE A 63 -6.294 4.041 -3.978 1.00 0.00 C ATOM 952 CD1 PHE A 63 -7.176 3.080 -3.591 1.00 0.00 C ATOM 953 CD2 PHE A 63 -5.187 4.290 -3.228 1.00 0.00 C ATOM 954 CE1 PHE A 63 -6.941 2.338 -2.403 1.00 0.00 C ATOM 955 CE2 PHE A 63 -4.953 3.547 -2.040 1.00 0.00 C ATOM 956 CZ PHE A 63 -5.835 2.587 -1.653 1.00 0.00 C ATOM 0 H PHE A 63 -9.011 4.527 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.126 6.111 -6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.185 4.264 -6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.960 5.758 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.055 2.881 -4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.486 5.052 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.641 1.576 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.074 3.745 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.657 2.022 -0.750 1.00 0.00 H new ATOM 966 N ASP A 64 -8.088 3.706 -7.379 1.00 0.00 N ATOM 967 CA ASP A 64 -8.619 2.639 -8.209 1.00 0.00 C ATOM 968 C ASP A 64 -7.478 1.713 -8.635 1.00 0.00 C ATOM 969 O ASP A 64 -6.318 1.961 -8.306 1.00 0.00 O ATOM 970 CB ASP A 64 -9.271 3.198 -9.476 1.00 0.00 C ATOM 971 CG ASP A 64 -10.130 4.446 -9.263 1.00 0.00 C ATOM 972 OD1 ASP A 64 -10.516 4.678 -8.097 1.00 0.00 O ATOM 973 OD2 ASP A 64 -10.382 5.140 -10.272 1.00 0.00 O ATOM 0 H ASP A 64 -7.236 4.139 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.366 2.100 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.488 3.433 -10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.891 2.420 -9.921 1.00 0.00 H new ATOM 978 N ALA A 65 -7.845 0.666 -9.359 1.00 0.00 N ATOM 979 CA ALA A 65 -6.866 -0.297 -9.832 1.00 0.00 C ATOM 980 C ALA A 65 -5.981 0.361 -10.893 1.00 0.00 C ATOM 981 O ALA A 65 -4.756 0.281 -10.820 1.00 0.00 O ATOM 982 CB ALA A 65 -7.587 -1.539 -10.362 1.00 0.00 C ATOM 0 H ALA A 65 -8.807 0.464 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.218 -0.619 -9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.853 -2.262 -10.717 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.178 -1.985 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.244 -1.255 -11.184 1.00 0.00 H new ATOM 988 N PRO A 66 -6.654 1.012 -11.879 1.00 0.00 N ATOM 989 CA PRO A 66 -5.942 1.683 -12.954 1.00 0.00 C ATOM 990 C PRO A 66 -5.320 2.993 -12.465 1.00 0.00 C ATOM 991 O PRO A 66 -4.345 3.473 -13.039 1.00 0.00 O ATOM 992 CB PRO A 66 -6.980 1.889 -14.045 1.00 0.00 C ATOM 993 CG PRO A 66 -8.332 1.748 -13.366 1.00 0.00 C ATOM 994 CD PRO A 66 -8.105 1.126 -11.998 1.00 0.00 C ATOM 0 HA PRO A 66 -5.100 1.101 -13.329 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.874 2.872 -14.504 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.863 1.152 -14.839 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.813 2.721 -13.268 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.996 1.123 -13.964 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -8.520 1.749 -11.206 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.586 0.151 -11.921 1.00 0.00 H new ATOM 1002 N ARG A 67 -5.911 3.533 -11.410 1.00 0.00 N ATOM 1003 CA ARG A 67 -5.428 4.778 -10.837 1.00 0.00 C ATOM 1004 C ARG A 67 -4.259 4.507 -9.887 1.00 0.00 C ATOM 1005 O ARG A 67 -3.350 5.327 -9.767 1.00 0.00 O ATOM 1006 CB ARG A 67 -6.539 5.502 -10.074 1.00 0.00 C ATOM 1007 CG ARG A 67 -6.485 7.010 -10.327 1.00 0.00 C ATOM 1008 CD ARG A 67 -7.844 7.660 -10.055 1.00 0.00 C ATOM 1009 NE ARG A 67 -8.453 8.110 -11.327 1.00 0.00 N ATOM 1010 CZ ARG A 67 -9.542 8.887 -11.405 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -10.147 9.306 -10.285 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -10.025 9.246 -12.602 1.00 0.00 N ATOM 0 H ARG A 67 -6.720 3.131 -10.937 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.094 5.413 -11.658 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.510 5.113 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -6.440 5.305 -9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.727 7.463 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.187 7.199 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.504 6.949 -9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.723 8.507 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.016 7.810 -12.199 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.779 9.033 -9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.976 9.897 -10.344 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.564 8.928 -13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.854 9.837 -12.661 1.00 0.00 H new ATOM 1026 N LEU A 68 -4.322 3.355 -9.237 1.00 0.00 N ATOM 1027 CA LEU A 68 -3.281 2.966 -8.301 1.00 0.00 C ATOM 1028 C LEU A 68 -2.078 2.426 -9.079 1.00 0.00 C ATOM 1029 O LEU A 68 -0.933 2.643 -8.686 1.00 0.00 O ATOM 1030 CB LEU A 68 -3.832 1.986 -7.263 1.00 0.00 C ATOM 1031 CG LEU A 68 -2.910 1.669 -6.084 1.00 0.00 C ATOM 1032 CD1 LEU A 68 -3.399 2.354 -4.807 1.00 0.00 C ATOM 1033 CD2 LEU A 68 -2.753 0.158 -5.901 1.00 0.00 C ATOM 0 H LEU A 68 -5.078 2.678 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.934 3.831 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.765 2.390 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.077 1.052 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.921 2.070 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.726 2.113 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.416 3.434 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.404 2.005 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.093 -0.040 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.729 -0.289 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.325 -0.275 -6.805 1.00 0.00 H new ATOM 1045 N ARG A 69 -2.380 1.734 -10.168 1.00 0.00 N ATOM 1046 CA ARG A 69 -1.339 1.162 -11.004 1.00 0.00 C ATOM 1047 C ARG A 69 -0.599 2.267 -11.761 1.00 0.00 C ATOM 1048 O ARG A 69 0.630 2.309 -11.761 1.00 0.00 O ATOM 1049 CB ARG A 69 -1.923 0.168 -12.009 1.00 0.00 C ATOM 1050 CG ARG A 69 -0.835 -0.378 -12.936 1.00 0.00 C ATOM 1051 CD ARG A 69 -0.697 -1.894 -12.786 1.00 0.00 C ATOM 1052 NE ARG A 69 0.297 -2.409 -13.754 1.00 0.00 N ATOM 1053 CZ ARG A 69 1.620 -2.229 -13.641 1.00 0.00 C ATOM 1054 NH1 ARG A 69 2.116 -1.544 -12.601 1.00 0.00 N ATOM 1055 NH2 ARG A 69 2.447 -2.732 -14.567 1.00 0.00 N ATOM 0 H ARG A 69 -3.331 1.557 -10.490 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.643 0.635 -10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.399 -0.655 -11.477 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.698 0.656 -12.600 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.076 -0.132 -13.970 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.117 0.102 -12.708 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.389 -2.141 -11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.662 -2.374 -12.952 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.047 -2.934 -14.558 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.486 -1.160 -11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.123 -1.407 -12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.070 -3.252 -15.359 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.454 -2.594 -14.480 1.00 0.00 H new ATOM 1069 N ALA A 70 -1.380 3.135 -12.388 1.00 0.00 N ATOM 1070 CA ALA A 70 -0.814 4.237 -13.148 1.00 0.00 C ATOM 1071 C ALA A 70 0.131 5.038 -12.250 1.00 0.00 C ATOM 1072 O ALA A 70 1.104 5.619 -12.728 1.00 0.00 O ATOM 1073 CB ALA A 70 -1.944 5.097 -13.719 1.00 0.00 C ATOM 0 H ALA A 70 -2.399 3.098 -12.385 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.231 3.863 -13.990 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.520 5.924 -14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.569 4.489 -14.373 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.549 5.492 -12.903 1.00 0.00 H new ATOM 1079 N TRP A 71 -0.188 5.042 -10.964 1.00 0.00 N ATOM 1080 CA TRP A 71 0.620 5.762 -9.994 1.00 0.00 C ATOM 1081 C TRP A 71 1.921 4.981 -9.791 1.00 0.00 C ATOM 1082 O TRP A 71 3.000 5.568 -9.745 1.00 0.00 O ATOM 1083 CB TRP A 71 -0.153 5.985 -8.693 1.00 0.00 C ATOM 1084 CG TRP A 71 0.676 6.627 -7.579 1.00 0.00 C ATOM 1085 CD1 TRP A 71 1.080 7.901 -7.482 1.00 0.00 C ATOM 1086 CD2 TRP A 71 1.189 5.970 -6.401 1.00 0.00 C ATOM 1087 NE1 TRP A 71 1.812 8.113 -6.331 1.00 0.00 N ATOM 1088 CE2 TRP A 71 1.881 6.901 -5.653 1.00 0.00 C ATOM 1089 CE3 TRP A 71 1.072 4.634 -5.981 1.00 0.00 C ATOM 1090 CZ2 TRP A 71 2.510 6.596 -4.440 1.00 0.00 C ATOM 1091 CZ3 TRP A 71 1.706 4.345 -4.767 1.00 0.00 C ATOM 1092 CH2 TRP A 71 2.406 5.270 -4.002 1.00 0.00 C ATOM 0 H TRP A 71 -0.995 4.558 -10.571 1.00 0.00 H new ATOM 0 HA TRP A 71 0.865 6.759 -10.360 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.017 6.617 -8.899 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.536 5.027 -8.341 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.861 8.666 -8.212 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.226 8.996 -6.033 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.535 3.889 -6.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.046 7.343 -3.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.647 3.331 -4.399 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.868 4.968 -3.074 1.00 0.00 H new ATOM 1103 N LEU A 72 1.774 3.669 -9.675 1.00 0.00 N ATOM 1104 CA LEU A 72 2.923 2.803 -9.477 1.00 0.00 C ATOM 1105 C LEU A 72 3.897 2.980 -10.644 1.00 0.00 C ATOM 1106 O LEU A 72 5.087 3.210 -10.434 1.00 0.00 O ATOM 1107 CB LEU A 72 2.473 1.356 -9.267 1.00 0.00 C ATOM 1108 CG LEU A 72 1.671 1.081 -7.994 1.00 0.00 C ATOM 1109 CD1 LEU A 72 0.867 -0.214 -8.121 1.00 0.00 C ATOM 1110 CD2 LEU A 72 2.581 1.072 -6.764 1.00 0.00 C ATOM 0 H LEU A 72 0.877 3.185 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 72 3.458 3.082 -8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.870 1.056 -10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.357 0.719 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 72 0.955 1.892 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.306 -0.386 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.175 -0.132 -8.959 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.547 -1.049 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.986 0.874 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.336 0.294 -6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.070 2.041 -6.666 1.00 0.00 H new ATOM 1122 N ASP A 73 3.355 2.868 -11.848 1.00 0.00 N ATOM 1123 CA ASP A 73 4.162 3.014 -13.048 1.00 0.00 C ATOM 1124 C ASP A 73 4.973 4.308 -12.958 1.00 0.00 C ATOM 1125 O ASP A 73 6.122 4.356 -13.393 1.00 0.00 O ATOM 1126 CB ASP A 73 3.281 3.093 -14.297 1.00 0.00 C ATOM 1127 CG ASP A 73 3.936 2.584 -15.583 1.00 0.00 C ATOM 1128 OD1 ASP A 73 4.624 3.402 -16.231 1.00 0.00 O ATOM 1129 OD2 ASP A 73 3.733 1.389 -15.888 1.00 0.00 O ATOM 0 H ASP A 73 2.367 2.678 -12.018 1.00 0.00 H new ATOM 0 HA ASP A 73 4.817 2.146 -13.122 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.371 2.519 -14.119 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.980 4.130 -14.446 1.00 0.00 H new ATOM 1134 N ALA A 74 4.342 5.326 -12.392 1.00 0.00 N ATOM 1135 CA ALA A 74 4.990 6.617 -12.240 1.00 0.00 C ATOM 1136 C ALA A 74 6.294 6.440 -11.459 1.00 0.00 C ATOM 1137 O ALA A 74 7.200 7.266 -11.560 1.00 0.00 O ATOM 1138 CB ALA A 74 4.031 7.594 -11.557 1.00 0.00 C ATOM 0 H ALA A 74 3.388 5.283 -12.033 1.00 0.00 H new ATOM 0 HA ALA A 74 5.242 7.035 -13.214 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.518 8.562 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.134 7.708 -12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.757 7.208 -10.575 1.00 0.00 H new ATOM 1144 N ALA A 75 6.348 5.356 -10.699 1.00 0.00 N ATOM 1145 CA ALA A 75 7.526 5.059 -9.902 1.00 0.00 C ATOM 1146 C ALA A 75 8.120 3.724 -10.354 1.00 0.00 C ATOM 1147 O ALA A 75 7.476 2.968 -11.080 1.00 0.00 O ATOM 1148 CB ALA A 75 7.152 5.058 -8.418 1.00 0.00 C ATOM 0 H ALA A 75 5.595 4.673 -10.618 1.00 0.00 H new ATOM 0 HA ALA A 75 8.289 5.824 -10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.036 4.835 -7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.763 6.038 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.390 4.300 -8.235 1.00 0.00 H new ATOM 1154 N PRO A 76 9.374 3.467 -9.895 1.00 0.00 N ATOM 1155 CA PRO A 76 10.062 2.236 -10.245 1.00 0.00 C ATOM 1156 C PRO A 76 9.495 1.049 -9.463 1.00 0.00 C ATOM 1157 O PRO A 76 8.484 1.182 -8.774 1.00 0.00 O ATOM 1158 CB PRO A 76 11.527 2.503 -9.940 1.00 0.00 C ATOM 1159 CG PRO A 76 11.545 3.698 -9.001 1.00 0.00 C ATOM 1160 CD PRO A 76 10.168 4.338 -9.034 1.00 0.00 C ATOM 0 HA PRO A 76 9.930 1.964 -11.292 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.994 1.634 -9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.084 2.715 -10.853 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.795 3.383 -7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.306 4.414 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.738 4.405 -8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.212 5.352 -9.430 1.00 0.00 H new ATOM 1168 N HIS A 77 10.170 -0.083 -9.595 1.00 0.00 N ATOM 1169 CA HIS A 77 9.746 -1.291 -8.909 1.00 0.00 C ATOM 1170 C HIS A 77 8.219 -1.379 -8.919 1.00 0.00 C ATOM 1171 O HIS A 77 7.559 -0.882 -8.008 1.00 0.00 O ATOM 1172 CB HIS A 77 10.334 -1.349 -7.497 1.00 0.00 C ATOM 1173 CG HIS A 77 11.515 -0.432 -7.285 1.00 0.00 C ATOM 1174 ND1 HIS A 77 11.378 0.894 -6.913 1.00 0.00 N ATOM 1175 CD2 HIS A 77 12.854 -0.665 -7.396 1.00 0.00 C ATOM 1176 CE1 HIS A 77 12.586 1.426 -6.809 1.00 0.00 C ATOM 1177 NE2 HIS A 77 13.500 0.459 -7.109 1.00 0.00 N ATOM 0 H HIS A 77 11.008 -0.189 -10.167 1.00 0.00 H new ATOM 0 HA HIS A 77 10.129 -2.165 -9.436 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.555 -1.093 -6.779 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.640 -2.373 -7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 77 13.311 -1.604 -7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.809 2.447 -6.535 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.513 0.579 -7.112 1.00 0.00 H new ATOM 1185 N ALA A 78 7.702 -2.014 -9.961 1.00 0.00 N ATOM 1186 CA ALA A 78 6.265 -2.173 -10.102 1.00 0.00 C ATOM 1187 C ALA A 78 5.958 -3.593 -10.584 1.00 0.00 C ATOM 1188 O ALA A 78 5.365 -3.777 -11.646 1.00 0.00 O ATOM 1189 CB ALA A 78 5.724 -1.105 -11.055 1.00 0.00 C ATOM 0 H ALA A 78 8.253 -2.424 -10.715 1.00 0.00 H new ATOM 0 HA ALA A 78 5.768 -2.036 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.646 -1.224 -11.161 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.942 -0.115 -10.654 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.198 -1.214 -12.030 1.00 0.00 H new TER 1195 ALA A 78