USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 717 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 CYS SG : rot 180:sc= -1.87 USER MOD Set 1.2: A 8 THR OG1 : rot 34:sc= 0.079 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.383 (180deg=-0.25) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.45) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 150:sc= -0.421 USER MOD Single : A 41 SER OG : rot 170:sc= -0.569 USER MOD Single : A 46 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.54) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 90:sc=-0.00993 USER MOD Single : A 57 ASN : amide:sc= -3.9! C(o=-3.9!,f=-11!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.33! C(o=-2.3!,f=-6.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.27) USER MOD Single : A 81 GLN : amide:sc= -0.093 K(o=-0.093,f=-1.5) USER MOD Single : A 82 HIS : no HD1:sc= -0.568 K(o=-0.57,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.14) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.592 -3.828 -1.548 1.00 0.00 N ATOM 2 CA MET A 1 -31.034 -4.477 -2.729 1.00 0.00 C ATOM 3 C MET A 1 -30.518 -5.890 -2.383 1.00 0.00 C ATOM 4 O MET A 1 -29.776 -6.061 -1.415 1.00 0.00 O ATOM 5 CB MET A 1 -29.904 -3.622 -3.339 1.00 0.00 C ATOM 6 CG MET A 1 -28.935 -3.032 -2.303 1.00 0.00 C ATOM 7 SD MET A 1 -29.354 -1.334 -1.801 1.00 0.00 S ATOM 8 CE MET A 1 -27.844 -0.451 -2.293 1.00 0.00 C ATOM 0 H1 MET A 1 -31.196 -2.870 -1.459 1.00 0.00 H new ATOM 0 H2 MET A 1 -32.626 -3.768 -1.641 1.00 0.00 H new ATOM 0 H3 MET A 1 -31.352 -4.382 -0.701 1.00 0.00 H new ATOM 0 HA MET A 1 -31.828 -4.574 -3.470 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.339 -4.234 -4.042 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.348 -2.807 -3.911 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.926 -3.671 -1.420 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.926 -3.042 -2.714 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.945 0.607 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.989 -0.866 -1.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.690 -0.563 -3.366 1.00 0.00 H new ATOM 19 N LYS A 2 -30.917 -6.902 -3.178 1.00 0.00 N ATOM 20 CA LYS A 2 -30.711 -8.332 -2.911 1.00 0.00 C ATOM 21 C LYS A 2 -29.712 -8.933 -3.924 1.00 0.00 C ATOM 22 O LYS A 2 -29.789 -10.121 -4.242 1.00 0.00 O ATOM 23 CB LYS A 2 -32.067 -9.069 -2.946 1.00 0.00 C ATOM 24 CG LYS A 2 -33.127 -8.392 -2.059 1.00 0.00 C ATOM 25 CD LYS A 2 -34.503 -8.325 -2.735 1.00 0.00 C ATOM 26 CE LYS A 2 -35.191 -9.697 -2.657 1.00 0.00 C ATOM 27 NZ LYS A 2 -36.651 -9.574 -2.514 1.00 0.00 N ATOM 0 H LYS A 2 -31.410 -6.736 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 2 -30.281 -8.455 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -32.429 -9.109 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -31.926 -10.099 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -33.213 -8.939 -1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -32.798 -7.383 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -35.121 -7.570 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -34.392 -8.023 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -34.962 -10.269 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -34.790 -10.256 -1.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -37.076 -10.522 -2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -36.872 -9.050 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -37.038 -9.063 -3.333 1.00 0.00 H new ATOM 41 N LYS A 3 -28.768 -8.110 -4.418 1.00 0.00 N ATOM 42 CA LYS A 3 -27.818 -8.443 -5.489 1.00 0.00 C ATOM 43 C LYS A 3 -26.768 -7.322 -5.649 1.00 0.00 C ATOM 44 O LYS A 3 -26.391 -6.680 -4.666 1.00 0.00 O ATOM 45 CB LYS A 3 -28.585 -8.694 -6.806 1.00 0.00 C ATOM 46 CG LYS A 3 -27.923 -9.778 -7.674 1.00 0.00 C ATOM 47 CD LYS A 3 -28.866 -10.952 -7.970 1.00 0.00 C ATOM 48 CE LYS A 3 -30.127 -10.442 -8.684 1.00 0.00 C ATOM 49 NZ LYS A 3 -31.354 -11.039 -8.130 1.00 0.00 N ATOM 0 H LYS A 3 -28.644 -7.160 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.283 -9.356 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.608 -8.991 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -28.643 -7.764 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.594 -9.335 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -27.032 -10.150 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -28.359 -11.690 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -29.140 -11.452 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.180 -9.357 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -30.060 -10.672 -9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.181 -10.668 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.316 -12.073 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.432 -10.798 -7.121 1.00 0.00 H new ATOM 63 N ALA A 4 -26.285 -7.102 -6.887 1.00 0.00 N ATOM 64 CA ALA A 4 -25.385 -6.006 -7.272 1.00 0.00 C ATOM 65 C ALA A 4 -23.916 -6.345 -6.939 1.00 0.00 C ATOM 66 O ALA A 4 -23.210 -6.928 -7.764 1.00 0.00 O ATOM 67 CB ALA A 4 -25.813 -4.709 -6.567 1.00 0.00 C ATOM 0 H ALA A 4 -26.522 -7.707 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 4 -25.455 -5.866 -8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -25.143 -3.900 -6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -26.833 -4.457 -6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -25.768 -4.850 -5.487 1.00 0.00 H new ATOM 73 N THR A 5 -23.465 -5.991 -5.720 1.00 0.00 N ATOM 74 CA THR A 5 -22.075 -6.105 -5.256 1.00 0.00 C ATOM 75 C THR A 5 -21.105 -5.678 -6.379 1.00 0.00 C ATOM 76 O THR A 5 -20.606 -6.523 -7.123 1.00 0.00 O ATOM 77 CB THR A 5 -21.796 -7.549 -4.778 1.00 0.00 C ATOM 78 OG1 THR A 5 -23.015 -8.219 -4.516 1.00 0.00 O ATOM 79 CG2 THR A 5 -20.936 -7.606 -3.504 1.00 0.00 C ATOM 0 H THR A 5 -24.084 -5.604 -5.008 1.00 0.00 H new ATOM 0 HA THR A 5 -21.917 -5.437 -4.410 1.00 0.00 H new ATOM 0 HB THR A 5 -21.244 -8.033 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 5 -22.828 -9.133 -4.216 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.776 -8.646 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 5 -19.974 -7.129 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 5 -21.448 -7.084 -2.696 1.00 0.00 H new ATOM 87 N CYS A 6 -20.845 -4.361 -6.499 1.00 0.00 N ATOM 88 CA CYS A 6 -20.013 -3.746 -7.543 1.00 0.00 C ATOM 89 C CYS A 6 -18.581 -3.507 -7.017 1.00 0.00 C ATOM 90 O CYS A 6 -18.269 -2.421 -6.527 1.00 0.00 O ATOM 91 CB CYS A 6 -20.667 -2.433 -8.020 1.00 0.00 C ATOM 92 SG CYS A 6 -20.642 -2.291 -9.832 1.00 0.00 S ATOM 0 H CYS A 6 -21.224 -3.675 -5.846 1.00 0.00 H new ATOM 0 HA CYS A 6 -19.941 -4.421 -8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -21.697 -2.389 -7.665 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -20.142 -1.584 -7.581 1.00 0.00 H new ATOM 0 HG CYS A 6 -21.204 -1.174 -10.188 1.00 0.00 H new ATOM 98 N LEU A 7 -17.705 -4.527 -7.138 1.00 0.00 N ATOM 99 CA LEU A 7 -16.267 -4.483 -6.837 1.00 0.00 C ATOM 100 C LEU A 7 -15.455 -4.062 -8.083 1.00 0.00 C ATOM 101 O LEU A 7 -14.247 -4.288 -8.156 1.00 0.00 O ATOM 102 CB LEU A 7 -15.791 -5.868 -6.349 1.00 0.00 C ATOM 103 CG LEU A 7 -16.136 -6.215 -4.885 1.00 0.00 C ATOM 104 CD1 LEU A 7 -14.910 -5.947 -3.999 1.00 0.00 C ATOM 105 CD2 LEU A 7 -17.325 -5.395 -4.358 1.00 0.00 C ATOM 0 H LEU A 7 -18.001 -5.447 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.104 -3.744 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.225 -6.630 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.709 -5.924 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.416 -7.268 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.149 -6.191 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.077 -6.565 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -14.633 -4.895 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.530 -5.674 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.084 -4.333 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.205 -5.596 -4.969 1.00 0.00 H new ATOM 117 N THR A 8 -16.152 -3.459 -9.071 1.00 0.00 N ATOM 118 CA THR A 8 -15.651 -3.138 -10.414 1.00 0.00 C ATOM 119 C THR A 8 -14.276 -2.439 -10.333 1.00 0.00 C ATOM 120 O THR A 8 -14.134 -1.420 -9.654 1.00 0.00 O ATOM 121 CB THR A 8 -16.684 -2.263 -11.167 1.00 0.00 C ATOM 122 OG1 THR A 8 -17.048 -1.144 -10.380 1.00 0.00 O ATOM 123 CG2 THR A 8 -17.970 -3.025 -11.529 1.00 0.00 C ATOM 0 H THR A 8 -17.122 -3.172 -8.942 1.00 0.00 H new ATOM 0 HA THR A 8 -15.514 -4.065 -10.972 1.00 0.00 H new ATOM 0 HB THR A 8 -16.195 -1.954 -12.091 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.278 -0.853 -9.849 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.653 -2.357 -12.054 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.723 -3.871 -12.171 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.446 -3.388 -10.618 1.00 0.00 H new ATOM 131 N ASP A 9 -13.269 -2.981 -11.045 1.00 0.00 N ATOM 132 CA ASP A 9 -11.851 -2.607 -10.952 1.00 0.00 C ATOM 133 C ASP A 9 -11.633 -1.124 -11.323 1.00 0.00 C ATOM 134 O ASP A 9 -10.756 -0.467 -10.760 1.00 0.00 O ATOM 135 CB ASP A 9 -11.011 -3.534 -11.856 1.00 0.00 C ATOM 136 CG ASP A 9 -11.189 -3.225 -13.350 1.00 0.00 C ATOM 137 OD1 ASP A 9 -12.147 -3.774 -13.938 1.00 0.00 O ATOM 138 OD2 ASP A 9 -10.368 -2.443 -13.879 1.00 0.00 O ATOM 0 H ASP A 9 -13.432 -3.721 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.526 -2.729 -9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.958 -3.436 -11.592 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.292 -4.570 -11.668 1.00 0.00 H new ATOM 143 N ASP A 10 -12.422 -0.612 -12.287 1.00 0.00 N ATOM 144 CA ASP A 10 -12.502 0.808 -12.658 1.00 0.00 C ATOM 145 C ASP A 10 -12.361 1.714 -11.417 1.00 0.00 C ATOM 146 O ASP A 10 -11.348 2.400 -11.244 1.00 0.00 O ATOM 147 CB ASP A 10 -13.831 1.063 -13.405 1.00 0.00 C ATOM 148 CG ASP A 10 -13.975 0.238 -14.688 1.00 0.00 C ATOM 149 OD1 ASP A 10 -13.335 0.619 -15.693 1.00 0.00 O ATOM 150 OD2 ASP A 10 -14.718 -0.768 -14.643 1.00 0.00 O ATOM 0 H ASP A 10 -13.041 -1.199 -12.846 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.674 1.056 -13.323 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.663 0.834 -12.739 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.903 2.122 -13.653 1.00 0.00 H new ATOM 155 N GLN A 11 -13.377 1.706 -10.531 1.00 0.00 N ATOM 156 CA GLN A 11 -13.535 2.669 -9.432 1.00 0.00 C ATOM 157 C GLN A 11 -12.755 2.218 -8.182 1.00 0.00 C ATOM 158 O GLN A 11 -12.439 3.041 -7.319 1.00 0.00 O ATOM 159 CB GLN A 11 -15.041 2.835 -9.126 1.00 0.00 C ATOM 160 CG GLN A 11 -15.475 4.300 -8.933 1.00 0.00 C ATOM 161 CD GLN A 11 -16.958 4.572 -9.225 1.00 0.00 C ATOM 162 OE1 GLN A 11 -17.826 3.975 -8.590 1.00 0.00 O ATOM 163 NE2 GLN A 11 -17.270 5.454 -10.179 1.00 0.00 N ATOM 0 H GLN A 11 -14.125 1.013 -10.564 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.122 3.632 -9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.619 2.398 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.284 2.271 -8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.260 4.596 -7.906 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.869 4.933 -9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.530 5.935 -10.690 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.248 5.646 -10.396 1.00 0.00 H new ATOM 172 N ARG A 12 -12.418 0.915 -8.080 1.00 0.00 N ATOM 173 CA ARG A 12 -11.344 0.405 -7.210 1.00 0.00 C ATOM 174 C ARG A 12 -10.086 1.297 -7.370 1.00 0.00 C ATOM 175 O ARG A 12 -9.533 1.866 -6.431 1.00 0.00 O ATOM 176 CB ARG A 12 -11.023 -1.054 -7.581 1.00 0.00 C ATOM 177 CG ARG A 12 -11.812 -2.102 -6.783 1.00 0.00 C ATOM 178 CD ARG A 12 -13.284 -1.709 -6.615 1.00 0.00 C ATOM 179 NE ARG A 12 -13.494 -0.977 -5.358 1.00 0.00 N ATOM 180 CZ ARG A 12 -13.842 -1.520 -4.177 1.00 0.00 C ATOM 181 NH1 ARG A 12 -13.960 -2.849 -4.024 1.00 0.00 N ATOM 182 NH2 ARG A 12 -14.075 -0.717 -3.129 1.00 0.00 N ATOM 0 H ARG A 12 -12.891 0.181 -8.607 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.668 0.434 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.223 -1.198 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.957 -1.228 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.750 -3.065 -7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.356 -2.228 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.597 -1.091 -7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.907 -2.604 -6.627 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.364 0.034 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.784 -3.471 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.225 -3.237 -3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.988 0.294 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.339 -1.117 -2.229 1.00 0.00 H new ATOM 196 N TRP A 13 -9.661 1.432 -8.657 1.00 0.00 N ATOM 197 CA TRP A 13 -8.508 2.238 -9.063 1.00 0.00 C ATOM 198 C TRP A 13 -8.839 3.742 -9.131 1.00 0.00 C ATOM 199 O TRP A 13 -7.907 4.559 -9.155 1.00 0.00 O ATOM 200 CB TRP A 13 -7.944 1.747 -10.417 1.00 0.00 C ATOM 201 CG TRP A 13 -6.497 2.107 -10.630 1.00 0.00 C ATOM 202 CD1 TRP A 13 -5.998 2.906 -11.600 1.00 0.00 C ATOM 203 CD2 TRP A 13 -5.356 1.743 -9.789 1.00 0.00 C ATOM 204 NE1 TRP A 13 -4.643 3.081 -11.420 1.00 0.00 N ATOM 205 CE2 TRP A 13 -4.192 2.393 -10.311 1.00 0.00 C ATOM 206 CE3 TRP A 13 -5.185 0.942 -8.634 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -2.932 2.274 -9.698 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -3.903 0.737 -8.069 1.00 0.00 C ATOM 209 CH2 TRP A 13 -2.779 1.404 -8.598 1.00 0.00 C ATOM 0 H TRP A 13 -10.125 0.972 -9.440 1.00 0.00 H new ATOM 0 HA TRP A 13 -7.745 2.109 -8.295 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.053 0.664 -10.476 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -8.539 2.172 -11.225 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.577 3.343 -12.400 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.050 3.646 -12.028 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.047 0.480 -8.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.090 2.843 -10.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.786 0.067 -7.230 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.803 1.249 -8.162 1.00 0.00 H new ATOM 220 N GLN A 14 -10.130 4.131 -9.180 1.00 0.00 N ATOM 221 CA GLN A 14 -10.551 5.546 -9.108 1.00 0.00 C ATOM 222 C GLN A 14 -10.419 6.074 -7.664 1.00 0.00 C ATOM 223 O GLN A 14 -9.898 7.169 -7.447 1.00 0.00 O ATOM 224 CB GLN A 14 -11.990 5.690 -9.643 1.00 0.00 C ATOM 225 CG GLN A 14 -12.070 5.805 -11.179 1.00 0.00 C ATOM 226 CD GLN A 14 -11.867 7.221 -11.740 1.00 0.00 C ATOM 227 OE1 GLN A 14 -12.799 8.023 -11.719 1.00 0.00 O ATOM 228 NE2 GLN A 14 -10.672 7.551 -12.239 1.00 0.00 N ATOM 0 H GLN A 14 -10.907 3.476 -9.270 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.897 6.152 -9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.576 4.829 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.448 6.573 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.319 5.147 -11.616 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.043 5.438 -11.505 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.915 6.867 -12.245 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.517 8.487 -12.614 1.00 0.00 H new ATOM 237 N SER A 15 -10.867 5.273 -6.676 1.00 0.00 N ATOM 238 CA SER A 15 -10.533 5.407 -5.248 1.00 0.00 C ATOM 239 C SER A 15 -9.003 5.520 -5.011 1.00 0.00 C ATOM 240 O SER A 15 -8.535 6.393 -4.282 1.00 0.00 O ATOM 241 CB SER A 15 -11.134 4.235 -4.451 1.00 0.00 C ATOM 242 OG SER A 15 -12.409 4.550 -3.928 1.00 0.00 O ATOM 0 H SER A 15 -11.493 4.489 -6.859 1.00 0.00 H new ATOM 0 HA SER A 15 -10.973 6.338 -4.891 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.213 3.360 -5.096 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.463 3.969 -3.634 1.00 0.00 H new ATOM 0 HG SER A 15 -12.758 3.781 -3.431 1.00 0.00 H new ATOM 248 N VAL A 16 -8.245 4.611 -5.665 1.00 0.00 N ATOM 249 CA VAL A 16 -6.825 4.333 -5.413 1.00 0.00 C ATOM 250 C VAL A 16 -5.922 5.276 -6.239 1.00 0.00 C ATOM 251 O VAL A 16 -4.773 5.520 -5.853 1.00 0.00 O ATOM 252 CB VAL A 16 -6.518 2.844 -5.729 1.00 0.00 C ATOM 253 CG1 VAL A 16 -5.035 2.618 -6.077 1.00 0.00 C ATOM 254 CG2 VAL A 16 -6.872 1.909 -4.558 1.00 0.00 C ATOM 0 H VAL A 16 -8.628 4.031 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.611 4.517 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.142 2.605 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.868 1.562 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.772 3.211 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.413 2.920 -5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.638 0.880 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.293 2.192 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.936 1.992 -4.335 1.00 0.00 H new ATOM 264 N LEU A 17 -6.417 5.796 -7.380 1.00 0.00 N ATOM 265 CA LEU A 17 -5.788 6.871 -8.161 1.00 0.00 C ATOM 266 C LEU A 17 -5.971 8.234 -7.455 1.00 0.00 C ATOM 267 O LEU A 17 -5.040 9.038 -7.388 1.00 0.00 O ATOM 268 CB LEU A 17 -6.395 6.943 -9.580 1.00 0.00 C ATOM 269 CG LEU A 17 -5.770 5.979 -10.611 1.00 0.00 C ATOM 270 CD1 LEU A 17 -6.370 6.261 -11.998 1.00 0.00 C ATOM 271 CD2 LEU A 17 -4.241 6.123 -10.684 1.00 0.00 C ATOM 0 H LEU A 17 -7.290 5.468 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.724 6.648 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.463 6.735 -9.512 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.292 7.963 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.995 4.961 -10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.931 5.582 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.449 6.111 -11.965 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.156 7.291 -12.285 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.845 5.426 -11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.985 7.142 -10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.808 5.903 -9.708 1.00 0.00 H new ATOM 283 N ALA A 18 -7.195 8.482 -6.946 1.00 0.00 N ATOM 284 CA ALA A 18 -7.589 9.664 -6.168 1.00 0.00 C ATOM 285 C ALA A 18 -6.832 9.716 -4.821 1.00 0.00 C ATOM 286 O ALA A 18 -6.912 10.715 -4.106 1.00 0.00 O ATOM 287 CB ALA A 18 -9.108 9.657 -5.930 1.00 0.00 C ATOM 0 H ALA A 18 -7.969 7.830 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.325 10.555 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.390 10.537 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.627 9.671 -6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.386 8.758 -5.380 1.00 0.00 H new ATOM 293 N ARG A 19 -6.127 8.619 -4.478 1.00 0.00 N ATOM 294 CA ARG A 19 -5.379 8.438 -3.223 1.00 0.00 C ATOM 295 C ARG A 19 -6.269 8.810 -2.010 1.00 0.00 C ATOM 296 O ARG A 19 -5.767 9.168 -0.945 1.00 0.00 O ATOM 297 CB ARG A 19 -4.056 9.229 -3.249 1.00 0.00 C ATOM 298 CG ARG A 19 -4.146 10.588 -3.961 1.00 0.00 C ATOM 299 CD ARG A 19 -2.758 11.232 -4.082 1.00 0.00 C ATOM 300 NE ARG A 19 -2.701 12.188 -5.198 1.00 0.00 N ATOM 301 CZ ARG A 19 -2.998 13.500 -5.123 1.00 0.00 C ATOM 302 NH1 ARG A 19 -3.383 14.066 -3.967 1.00 0.00 N ATOM 303 NH2 ARG A 19 -2.909 14.259 -6.225 1.00 0.00 N ATOM 0 H ARG A 19 -6.062 7.807 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.110 7.387 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.722 9.390 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.294 8.624 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.579 10.456 -4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.812 11.250 -3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.511 11.743 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.007 10.455 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.412 11.827 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.456 13.500 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.603 15.062 -3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.619 13.842 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.132 15.253 -6.179 1.00 0.00 H new ATOM 317 N ASP A 20 -7.601 8.697 -2.201 1.00 0.00 N ATOM 318 CA ASP A 20 -8.650 9.003 -1.220 1.00 0.00 C ATOM 319 C ASP A 20 -8.429 8.204 0.089 1.00 0.00 C ATOM 320 O ASP A 20 -8.794 7.028 0.139 1.00 0.00 O ATOM 321 CB ASP A 20 -10.032 8.699 -1.841 1.00 0.00 C ATOM 322 CG ASP A 20 -11.201 8.979 -0.891 1.00 0.00 C ATOM 323 OD1 ASP A 20 -11.143 10.019 -0.197 1.00 0.00 O ATOM 324 OD2 ASP A 20 -12.132 8.145 -0.866 1.00 0.00 O ATOM 0 H ASP A 20 -7.987 8.374 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.607 10.061 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.156 9.297 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.063 7.653 -2.145 1.00 0.00 H new ATOM 329 N PRO A 21 -7.807 8.790 1.142 1.00 0.00 N ATOM 330 CA PRO A 21 -7.331 8.062 2.332 1.00 0.00 C ATOM 331 C PRO A 21 -8.474 7.379 3.118 1.00 0.00 C ATOM 332 O PRO A 21 -8.217 6.554 3.995 1.00 0.00 O ATOM 333 CB PRO A 21 -6.597 9.094 3.203 1.00 0.00 C ATOM 334 CG PRO A 21 -6.271 10.234 2.243 1.00 0.00 C ATOM 335 CD PRO A 21 -7.449 10.198 1.269 1.00 0.00 C ATOM 0 HA PRO A 21 -6.673 7.247 2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.223 9.435 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.693 8.673 3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.201 11.191 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.320 10.076 1.735 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.288 10.784 1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.173 10.621 0.303 1.00 0.00 H new ATOM 343 N ASN A 22 -9.734 7.741 2.810 1.00 0.00 N ATOM 344 CA ASN A 22 -10.949 7.447 3.587 1.00 0.00 C ATOM 345 C ASN A 22 -11.515 6.049 3.252 1.00 0.00 C ATOM 346 O ASN A 22 -12.486 5.609 3.880 1.00 0.00 O ATOM 347 CB ASN A 22 -12.009 8.535 3.303 1.00 0.00 C ATOM 348 CG ASN A 22 -13.387 8.229 3.901 1.00 0.00 C ATOM 349 OD1 ASN A 22 -13.540 8.143 5.118 1.00 0.00 O ATOM 350 ND2 ASN A 22 -14.398 8.058 3.044 1.00 0.00 N ATOM 0 H ASN A 22 -9.941 8.275 1.966 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.690 7.448 4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.655 9.486 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.110 8.657 2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.333 7.849 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.235 8.137 2.040 1.00 0.00 H new ATOM 357 N ALA A 23 -10.908 5.333 2.286 1.00 0.00 N ATOM 358 CA ALA A 23 -11.154 3.915 1.988 1.00 0.00 C ATOM 359 C ALA A 23 -10.246 3.002 2.843 1.00 0.00 C ATOM 360 O ALA A 23 -10.200 1.792 2.620 1.00 0.00 O ATOM 361 CB ALA A 23 -10.938 3.658 0.488 1.00 0.00 C ATOM 0 H ALA A 23 -10.207 5.745 1.670 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.187 3.676 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.121 2.606 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.627 4.274 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.912 3.912 0.219 1.00 0.00 H new ATOM 367 N ASP A 24 -9.554 3.584 3.842 1.00 0.00 N ATOM 368 CA ASP A 24 -8.963 2.879 4.990 1.00 0.00 C ATOM 369 C ASP A 24 -9.999 1.956 5.667 1.00 0.00 C ATOM 370 O ASP A 24 -11.095 2.405 6.012 1.00 0.00 O ATOM 371 CB ASP A 24 -8.388 3.913 5.986 1.00 0.00 C ATOM 372 CG ASP A 24 -9.464 4.770 6.661 1.00 0.00 C ATOM 373 OD1 ASP A 24 -10.054 4.282 7.650 1.00 0.00 O ATOM 374 OD2 ASP A 24 -9.680 5.903 6.177 1.00 0.00 O ATOM 0 H ASP A 24 -9.387 4.590 3.870 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.151 2.242 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.817 3.389 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.691 4.565 5.459 1.00 0.00 H new ATOM 379 N GLY A 25 -9.657 0.666 5.848 1.00 0.00 N ATOM 380 CA GLY A 25 -10.492 -0.355 6.494 1.00 0.00 C ATOM 381 C GLY A 25 -11.489 -1.000 5.508 1.00 0.00 C ATOM 382 O GLY A 25 -12.016 -2.082 5.776 1.00 0.00 O ATOM 0 H GLY A 25 -8.759 0.297 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.853 -1.128 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.041 0.096 7.320 1.00 0.00 H new ATOM 386 N GLU A 26 -11.750 -0.330 4.370 1.00 0.00 N ATOM 387 CA GLU A 26 -12.697 -0.745 3.321 1.00 0.00 C ATOM 388 C GLU A 26 -12.112 -1.916 2.502 1.00 0.00 C ATOM 389 O GLU A 26 -12.758 -2.947 2.318 1.00 0.00 O ATOM 390 CB GLU A 26 -13.036 0.456 2.412 1.00 0.00 C ATOM 391 CG GLU A 26 -14.403 0.309 1.718 1.00 0.00 C ATOM 392 CD GLU A 26 -14.687 1.376 0.654 1.00 0.00 C ATOM 393 OE1 GLU A 26 -14.316 1.158 -0.521 1.00 0.00 O ATOM 394 OE2 GLU A 26 -15.277 2.407 1.043 1.00 0.00 O ATOM 0 H GLU A 26 -11.287 0.551 4.148 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.619 -1.091 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.032 1.369 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.259 0.565 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.457 -0.675 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.187 0.348 2.474 1.00 0.00 H new ATOM 401 N PHE A 27 -10.858 -1.737 2.017 1.00 0.00 N ATOM 402 CA PHE A 27 -10.101 -2.744 1.264 1.00 0.00 C ATOM 403 C PHE A 27 -8.574 -2.599 1.473 1.00 0.00 C ATOM 404 O PHE A 27 -8.112 -1.731 2.213 1.00 0.00 O ATOM 405 CB PHE A 27 -10.419 -2.635 -0.244 1.00 0.00 C ATOM 406 CG PHE A 27 -10.276 -1.243 -0.846 1.00 0.00 C ATOM 407 CD1 PHE A 27 -8.991 -0.696 -1.069 1.00 0.00 C ATOM 408 CD2 PHE A 27 -11.422 -0.491 -1.198 1.00 0.00 C ATOM 409 CE1 PHE A 27 -8.853 0.552 -1.714 1.00 0.00 C ATOM 410 CE2 PHE A 27 -11.283 0.763 -1.829 1.00 0.00 C ATOM 411 CZ PHE A 27 -9.998 1.267 -2.123 1.00 0.00 C ATOM 0 H PHE A 27 -10.342 -0.867 2.146 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.405 -3.721 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.762 -3.315 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.440 -2.979 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.113 -1.235 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -12.407 -0.879 -0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.869 0.960 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -12.160 1.338 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.892 2.198 -2.660 1.00 0.00 H new ATOM 421 N VAL A 28 -7.797 -3.453 0.773 1.00 0.00 N ATOM 422 CA VAL A 28 -6.368 -3.280 0.472 1.00 0.00 C ATOM 423 C VAL A 28 -6.138 -3.490 -1.041 1.00 0.00 C ATOM 424 O VAL A 28 -7.062 -3.891 -1.757 1.00 0.00 O ATOM 425 CB VAL A 28 -5.480 -4.237 1.315 1.00 0.00 C ATOM 426 CG1 VAL A 28 -5.959 -4.310 2.781 1.00 0.00 C ATOM 427 CG2 VAL A 28 -5.424 -5.671 0.749 1.00 0.00 C ATOM 0 H VAL A 28 -8.170 -4.320 0.387 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.075 -2.266 0.743 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.479 -3.809 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.315 -4.988 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.916 -3.317 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.985 -4.677 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.788 -6.288 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.429 -6.092 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.015 -5.648 -0.261 1.00 0.00 H new ATOM 437 N PHE A 29 -4.911 -3.223 -1.541 1.00 0.00 N ATOM 438 CA PHE A 29 -4.456 -3.632 -2.880 1.00 0.00 C ATOM 439 C PHE A 29 -2.992 -4.131 -2.844 1.00 0.00 C ATOM 440 O PHE A 29 -2.220 -3.770 -1.956 1.00 0.00 O ATOM 441 CB PHE A 29 -4.593 -2.481 -3.899 1.00 0.00 C ATOM 442 CG PHE A 29 -3.574 -1.356 -3.782 1.00 0.00 C ATOM 443 CD1 PHE A 29 -2.279 -1.512 -4.335 1.00 0.00 C ATOM 444 CD2 PHE A 29 -3.919 -0.139 -3.153 1.00 0.00 C ATOM 445 CE1 PHE A 29 -1.382 -0.425 -4.357 1.00 0.00 C ATOM 446 CE2 PHE A 29 -3.020 0.950 -3.174 1.00 0.00 C ATOM 447 CZ PHE A 29 -1.755 0.808 -3.781 1.00 0.00 C ATOM 0 H PHE A 29 -4.203 -2.710 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.098 -4.453 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.526 -2.902 -4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.590 -2.052 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.978 -2.467 -4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.872 -0.041 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.410 -0.536 -4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.301 1.891 -2.725 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.071 1.644 -3.805 1.00 0.00 H new ATOM 457 N ALA A 30 -2.634 -4.999 -3.815 1.00 0.00 N ATOM 458 CA ALA A 30 -1.469 -5.893 -3.800 1.00 0.00 C ATOM 459 C ALA A 30 -0.702 -5.831 -5.138 1.00 0.00 C ATOM 460 O ALA A 30 -1.236 -6.246 -6.173 1.00 0.00 O ATOM 461 CB ALA A 30 -1.924 -7.334 -3.506 1.00 0.00 C ATOM 0 H ALA A 30 -3.181 -5.095 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.790 -5.564 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.057 -7.994 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.418 -7.369 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.620 -7.661 -4.279 1.00 0.00 H new ATOM 467 N VAL A 31 0.551 -5.337 -5.128 1.00 0.00 N ATOM 468 CA VAL A 31 1.435 -5.255 -6.302 1.00 0.00 C ATOM 469 C VAL A 31 2.327 -6.512 -6.378 1.00 0.00 C ATOM 470 O VAL A 31 3.264 -6.661 -5.592 1.00 0.00 O ATOM 471 CB VAL A 31 2.287 -3.960 -6.246 1.00 0.00 C ATOM 472 CG1 VAL A 31 3.084 -3.738 -7.546 1.00 0.00 C ATOM 473 CG2 VAL A 31 1.432 -2.703 -6.000 1.00 0.00 C ATOM 0 H VAL A 31 0.986 -4.975 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 31 0.828 -5.214 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 31 2.970 -4.106 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.666 -2.820 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.756 -4.581 -7.709 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.394 -3.656 -8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.077 -1.825 -5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.707 -2.593 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.907 -2.800 -5.050 1.00 0.00 H new ATOM 483 N ARG A 32 2.018 -7.425 -7.322 1.00 0.00 N ATOM 484 CA ARG A 32 2.612 -8.763 -7.445 1.00 0.00 C ATOM 485 C ARG A 32 4.130 -8.678 -7.719 1.00 0.00 C ATOM 486 O ARG A 32 4.852 -9.656 -7.506 1.00 0.00 O ATOM 487 CB ARG A 32 1.884 -9.542 -8.560 1.00 0.00 C ATOM 488 CG ARG A 32 0.370 -9.276 -8.580 1.00 0.00 C ATOM 489 CD ARG A 32 -0.441 -10.574 -8.466 1.00 0.00 C ATOM 490 NE ARG A 32 -0.370 -11.351 -9.713 1.00 0.00 N ATOM 491 CZ ARG A 32 -1.366 -12.084 -10.244 1.00 0.00 C ATOM 492 NH1 ARG A 32 -2.566 -12.171 -9.648 1.00 0.00 N ATOM 493 NH2 ARG A 32 -1.157 -12.743 -11.393 1.00 0.00 N ATOM 0 H ARG A 32 1.322 -7.239 -8.044 1.00 0.00 H new ATOM 0 HA ARG A 32 2.489 -9.295 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.309 -9.268 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.059 -10.609 -8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.107 -8.611 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.104 -8.762 -9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.061 -11.173 -7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.481 -10.339 -8.239 1.00 0.00 H new ATOM 0 HE ARG A 32 0.514 -11.333 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.738 -11.675 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.305 -12.733 -10.070 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.250 -12.686 -11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.905 -13.301 -11.804 1.00 0.00 H new ATOM 507 N THR A 33 4.610 -7.519 -8.208 1.00 0.00 N ATOM 508 CA THR A 33 5.929 -7.333 -8.830 1.00 0.00 C ATOM 509 C THR A 33 6.950 -6.797 -7.804 1.00 0.00 C ATOM 510 O THR A 33 8.160 -6.907 -8.020 1.00 0.00 O ATOM 511 CB THR A 33 5.806 -6.387 -10.049 1.00 0.00 C ATOM 512 OG1 THR A 33 7.060 -6.244 -10.691 1.00 0.00 O ATOM 513 CG2 THR A 33 5.303 -4.982 -9.674 1.00 0.00 C ATOM 0 H THR A 33 4.067 -6.656 -8.178 1.00 0.00 H new ATOM 0 HA THR A 33 6.295 -8.299 -9.179 1.00 0.00 H new ATOM 0 HB THR A 33 5.074 -6.849 -10.712 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.967 -5.645 -11.461 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.238 -4.367 -10.572 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.317 -5.059 -9.215 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.996 -4.523 -8.969 1.00 0.00 H new ATOM 521 N THR A 34 6.468 -6.231 -6.680 1.00 0.00 N ATOM 522 CA THR A 34 7.264 -5.844 -5.507 1.00 0.00 C ATOM 523 C THR A 34 7.143 -6.902 -4.387 1.00 0.00 C ATOM 524 O THR A 34 8.050 -7.040 -3.565 1.00 0.00 O ATOM 525 CB THR A 34 6.824 -4.447 -5.005 1.00 0.00 C ATOM 526 OG1 THR A 34 7.640 -4.035 -3.923 1.00 0.00 O ATOM 527 CG2 THR A 34 5.360 -4.410 -4.534 1.00 0.00 C ATOM 0 H THR A 34 5.476 -6.025 -6.564 1.00 0.00 H new ATOM 0 HA THR A 34 8.313 -5.791 -5.798 1.00 0.00 H new ATOM 0 HB THR A 34 6.928 -3.776 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.710 -3.058 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.112 -3.404 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.705 -4.686 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.224 -5.114 -3.713 1.00 0.00 H new ATOM 535 N GLY A 35 6.007 -7.623 -4.346 1.00 0.00 N ATOM 536 CA GLY A 35 5.532 -8.396 -3.186 1.00 0.00 C ATOM 537 C GLY A 35 5.246 -7.480 -1.977 1.00 0.00 C ATOM 538 O GLY A 35 5.744 -7.720 -0.878 1.00 0.00 O ATOM 0 H GLY A 35 5.376 -7.685 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.626 -8.939 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.280 -9.140 -2.912 1.00 0.00 H new ATOM 542 N ILE A 36 4.451 -6.412 -2.204 1.00 0.00 N ATOM 543 CA ILE A 36 3.940 -5.480 -1.189 1.00 0.00 C ATOM 544 C ILE A 36 2.397 -5.438 -1.243 1.00 0.00 C ATOM 545 O ILE A 36 1.802 -5.810 -2.257 1.00 0.00 O ATOM 546 CB ILE A 36 4.543 -4.063 -1.406 1.00 0.00 C ATOM 547 CG1 ILE A 36 6.077 -4.025 -1.194 1.00 0.00 C ATOM 548 CG2 ILE A 36 3.866 -3.034 -0.477 1.00 0.00 C ATOM 549 CD1 ILE A 36 6.678 -2.615 -1.292 1.00 0.00 C ATOM 0 H ILE A 36 4.137 -6.170 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 36 4.241 -5.827 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 36 4.349 -3.803 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.310 -4.443 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.554 -4.666 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.303 -2.050 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.798 -2.998 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.019 -3.326 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.755 -2.667 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.477 -2.201 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.229 -1.975 -0.532 1.00 0.00 H new ATOM 561 N PHE A 37 1.752 -4.960 -0.159 1.00 0.00 N ATOM 562 CA PHE A 37 0.338 -4.559 -0.123 1.00 0.00 C ATOM 563 C PHE A 37 0.150 -3.252 0.681 1.00 0.00 C ATOM 564 O PHE A 37 0.955 -2.924 1.554 1.00 0.00 O ATOM 565 CB PHE A 37 -0.527 -5.682 0.485 1.00 0.00 C ATOM 566 CG PHE A 37 -0.226 -6.040 1.935 1.00 0.00 C ATOM 567 CD1 PHE A 37 -0.586 -5.154 2.979 1.00 0.00 C ATOM 568 CD2 PHE A 37 0.421 -7.258 2.248 1.00 0.00 C ATOM 569 CE1 PHE A 37 -0.391 -5.529 4.325 1.00 0.00 C ATOM 570 CE2 PHE A 37 0.616 -7.631 3.596 1.00 0.00 C ATOM 571 CZ PHE A 37 0.226 -6.759 4.634 1.00 0.00 C ATOM 0 H PHE A 37 2.218 -4.840 0.740 1.00 0.00 H new ATOM 0 HA PHE A 37 0.016 -4.380 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.574 -5.388 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.405 -6.578 -0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.011 -4.189 2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.767 -7.904 1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.715 -4.873 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.064 -8.585 3.832 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.400 -7.033 5.664 1.00 0.00 H new ATOM 581 N CYS A 38 -0.923 -2.500 0.362 1.00 0.00 N ATOM 582 CA CYS A 38 -1.169 -1.107 0.748 1.00 0.00 C ATOM 583 C CYS A 38 -2.629 -0.901 1.218 1.00 0.00 C ATOM 584 O CYS A 38 -3.481 -1.763 0.999 1.00 0.00 O ATOM 585 CB CYS A 38 -0.854 -0.183 -0.451 1.00 0.00 C ATOM 586 SG CYS A 38 0.843 -0.377 -1.069 1.00 0.00 S ATOM 0 H CYS A 38 -1.682 -2.877 -0.206 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.517 -0.857 1.585 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.555 -0.393 -1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.011 0.854 -0.154 1.00 0.00 H new ATOM 591 N ARG A 39 -2.905 0.270 1.820 1.00 0.00 N ATOM 592 CA ARG A 39 -4.233 0.888 1.941 1.00 0.00 C ATOM 593 C ARG A 39 -4.513 1.741 0.676 1.00 0.00 C ATOM 594 O ARG A 39 -3.539 2.154 0.027 1.00 0.00 O ATOM 595 CB ARG A 39 -4.269 1.763 3.216 1.00 0.00 C ATOM 596 CG ARG A 39 -5.470 1.466 4.122 1.00 0.00 C ATOM 597 CD ARG A 39 -5.158 1.500 5.620 1.00 0.00 C ATOM 598 NE ARG A 39 -3.984 2.350 5.872 1.00 0.00 N ATOM 599 CZ ARG A 39 -3.997 3.629 6.283 1.00 0.00 C ATOM 600 NH1 ARG A 39 -5.150 4.279 6.508 1.00 0.00 N ATOM 601 NH2 ARG A 39 -2.830 4.264 6.471 1.00 0.00 N ATOM 0 H ARG A 39 -2.174 0.834 2.254 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.004 0.122 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.350 1.608 3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.292 2.814 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.256 2.191 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.866 0.483 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.018 1.882 6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.970 0.490 5.983 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.069 1.926 5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.040 3.802 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.136 5.250 6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.951 3.776 6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.822 5.235 6.783 1.00 0.00 H new ATOM 615 N PRO A 40 -5.774 1.995 0.260 1.00 0.00 N ATOM 616 CA PRO A 40 -6.119 2.677 -0.999 1.00 0.00 C ATOM 617 C PRO A 40 -5.252 3.910 -1.344 1.00 0.00 C ATOM 618 O PRO A 40 -5.138 4.275 -2.515 1.00 0.00 O ATOM 619 CB PRO A 40 -7.610 3.052 -0.877 1.00 0.00 C ATOM 620 CG PRO A 40 -8.022 2.673 0.543 1.00 0.00 C ATOM 621 CD PRO A 40 -7.007 1.601 0.930 1.00 0.00 C ATOM 0 HA PRO A 40 -5.918 2.001 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.761 4.116 -1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.209 2.516 -1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.979 3.529 1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -9.043 2.292 0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.873 1.556 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.334 0.612 0.608 1.00 0.00 H new ATOM 629 N SER A 41 -4.674 4.562 -0.318 1.00 0.00 N ATOM 630 CA SER A 41 -4.152 5.935 -0.351 1.00 0.00 C ATOM 631 C SER A 41 -2.665 5.987 -0.757 1.00 0.00 C ATOM 632 O SER A 41 -1.965 6.941 -0.370 1.00 0.00 O ATOM 633 CB SER A 41 -4.367 6.606 1.022 1.00 0.00 C ATOM 634 OG SER A 41 -4.946 5.754 1.994 1.00 0.00 O ATOM 0 H SER A 41 -4.554 4.124 0.595 1.00 0.00 H new ATOM 0 HA SER A 41 -4.704 6.483 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.407 6.965 1.394 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.006 7.480 0.892 1.00 0.00 H new ATOM 0 HG SER A 41 -4.905 6.185 2.873 1.00 0.00 H new ATOM 640 N CYS A 42 -2.136 4.990 -1.500 1.00 0.00 N ATOM 641 CA CYS A 42 -0.684 4.788 -1.684 1.00 0.00 C ATOM 642 C CYS A 42 -0.060 6.003 -2.408 1.00 0.00 C ATOM 643 O CYS A 42 -0.074 6.066 -3.637 1.00 0.00 O ATOM 644 CB CYS A 42 -0.412 3.470 -2.437 1.00 0.00 C ATOM 645 SG CYS A 42 1.338 2.956 -2.334 1.00 0.00 S ATOM 0 H CYS A 42 -2.707 4.301 -1.990 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.210 4.708 -0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.044 2.683 -2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.692 3.589 -3.484 1.00 0.00 H new ATOM 650 N ARG A 43 0.462 6.974 -1.635 1.00 0.00 N ATOM 651 CA ARG A 43 0.793 8.337 -2.077 1.00 0.00 C ATOM 652 C ARG A 43 2.033 8.338 -2.997 1.00 0.00 C ATOM 653 O ARG A 43 2.019 8.967 -4.057 1.00 0.00 O ATOM 654 CB ARG A 43 1.002 9.237 -0.841 1.00 0.00 C ATOM 655 CG ARG A 43 2.487 9.458 -0.511 1.00 0.00 C ATOM 656 CD ARG A 43 2.921 10.909 -0.761 1.00 0.00 C ATOM 657 NE ARG A 43 1.989 11.854 -0.127 1.00 0.00 N ATOM 658 CZ ARG A 43 1.901 12.114 1.191 1.00 0.00 C ATOM 659 NH1 ARG A 43 2.670 11.472 2.084 1.00 0.00 N ATOM 660 NH2 ARG A 43 1.027 13.035 1.623 1.00 0.00 N ATOM 0 H ARG A 43 0.672 6.822 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.035 8.735 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.525 10.202 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.506 8.787 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.669 9.200 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.097 8.788 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.926 11.065 -0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.965 11.100 -1.833 1.00 0.00 H new ATOM 0 HE ARG A 43 1.351 12.359 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.339 10.770 1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.585 11.686 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.437 13.531 0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.952 13.239 2.620 1.00 0.00 H new ATOM 674 N ALA A 44 3.111 7.645 -2.580 1.00 0.00 N ATOM 675 CA ALA A 44 4.315 7.378 -3.379 1.00 0.00 C ATOM 676 C ALA A 44 3.963 6.662 -4.702 1.00 0.00 C ATOM 677 O ALA A 44 3.192 5.701 -4.700 1.00 0.00 O ATOM 678 CB ALA A 44 5.307 6.539 -2.558 1.00 0.00 C ATOM 0 H ALA A 44 3.165 7.243 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 44 4.778 8.331 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.198 6.343 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.586 7.084 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.841 5.593 -2.280 1.00 0.00 H new ATOM 684 N ARG A 45 4.543 7.128 -5.825 1.00 0.00 N ATOM 685 CA ARG A 45 4.179 6.764 -7.201 1.00 0.00 C ATOM 686 C ARG A 45 3.975 5.240 -7.340 1.00 0.00 C ATOM 687 O ARG A 45 4.884 4.463 -7.041 1.00 0.00 O ATOM 688 CB ARG A 45 5.266 7.281 -8.168 1.00 0.00 C ATOM 689 CG ARG A 45 4.712 7.619 -9.562 1.00 0.00 C ATOM 690 CD ARG A 45 5.798 7.535 -10.645 1.00 0.00 C ATOM 691 NE ARG A 45 6.346 6.172 -10.734 1.00 0.00 N ATOM 692 CZ ARG A 45 7.650 5.848 -10.815 1.00 0.00 C ATOM 693 NH1 ARG A 45 8.604 6.791 -10.861 1.00 0.00 N ATOM 694 NH2 ARG A 45 8.005 4.555 -10.850 1.00 0.00 N ATOM 0 H ARG A 45 5.312 7.798 -5.792 1.00 0.00 H new ATOM 0 HA ARG A 45 3.229 7.233 -7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.732 8.170 -7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.047 6.527 -8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.901 6.933 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.287 8.623 -9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.380 7.827 -11.608 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.599 8.239 -10.418 1.00 0.00 H new ATOM 0 HE ARG A 45 5.676 5.403 -10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.347 7.778 -10.835 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.586 6.521 -10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.290 3.829 -10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.990 4.298 -10.911 1.00 0.00 H new ATOM 708 N HIS A 46 2.776 4.815 -7.784 1.00 0.00 N ATOM 709 CA HIS A 46 2.316 3.419 -7.792 1.00 0.00 C ATOM 710 C HIS A 46 2.394 2.808 -9.209 1.00 0.00 C ATOM 711 O HIS A 46 2.145 3.500 -10.197 1.00 0.00 O ATOM 712 CB HIS A 46 0.885 3.314 -7.211 1.00 0.00 C ATOM 713 CG HIS A 46 0.145 4.631 -7.184 1.00 0.00 C ATOM 714 ND1 HIS A 46 -0.921 4.888 -8.049 1.00 0.00 N ATOM 715 CD2 HIS A 46 0.336 5.724 -6.379 1.00 0.00 C ATOM 716 CE1 HIS A 46 -1.330 6.119 -7.730 1.00 0.00 C ATOM 717 NE2 HIS A 46 -0.607 6.665 -6.738 1.00 0.00 N ATOM 0 H HIS A 46 2.080 5.459 -8.159 1.00 0.00 H new ATOM 0 HA HIS A 46 2.984 2.840 -7.154 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.314 2.598 -7.802 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.942 2.918 -6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.085 5.829 -5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.153 6.621 -8.217 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.731 7.592 -6.331 1.00 0.00 H new ATOM 725 N ALA A 47 2.719 1.504 -9.297 1.00 0.00 N ATOM 726 CA ALA A 47 2.533 0.656 -10.482 1.00 0.00 C ATOM 727 C ALA A 47 1.039 0.527 -10.847 1.00 0.00 C ATOM 728 O ALA A 47 0.180 0.544 -9.963 1.00 0.00 O ATOM 729 CB ALA A 47 3.150 -0.730 -10.232 1.00 0.00 C ATOM 0 H ALA A 47 3.133 0.997 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 47 3.040 1.125 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.009 -1.355 -11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.216 -0.623 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.663 -1.196 -9.375 1.00 0.00 H new ATOM 735 N LEU A 48 0.731 0.417 -12.154 1.00 0.00 N ATOM 736 CA LEU A 48 -0.626 0.458 -12.717 1.00 0.00 C ATOM 737 C LEU A 48 -1.507 -0.652 -12.104 1.00 0.00 C ATOM 738 O LEU A 48 -0.994 -1.574 -11.468 1.00 0.00 O ATOM 739 CB LEU A 48 -0.567 0.294 -14.251 1.00 0.00 C ATOM 740 CG LEU A 48 0.337 1.302 -14.994 1.00 0.00 C ATOM 741 CD1 LEU A 48 0.858 0.656 -16.288 1.00 0.00 C ATOM 742 CD2 LEU A 48 -0.406 2.601 -15.345 1.00 0.00 C ATOM 0 H LEU A 48 1.448 0.293 -12.869 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.069 1.424 -12.475 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.220 -0.714 -14.478 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.579 0.380 -14.647 1.00 0.00 H new ATOM 0 HG LEU A 48 1.161 1.559 -14.329 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.497 1.364 -16.816 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.432 -0.238 -16.043 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.015 0.383 -16.923 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.271 3.278 -15.866 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.256 2.372 -15.988 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.761 3.076 -14.430 1.00 0.00 H new ATOM 754 N ARG A 49 -2.838 -0.548 -12.286 1.00 0.00 N ATOM 755 CA ARG A 49 -3.823 -1.611 -12.036 1.00 0.00 C ATOM 756 C ARG A 49 -3.328 -2.963 -12.591 1.00 0.00 C ATOM 757 O ARG A 49 -3.596 -4.022 -12.022 1.00 0.00 O ATOM 758 CB ARG A 49 -5.179 -1.197 -12.652 1.00 0.00 C ATOM 759 CG ARG A 49 -6.354 -2.064 -12.173 1.00 0.00 C ATOM 760 CD ARG A 49 -6.233 -3.510 -12.670 1.00 0.00 C ATOM 761 NE ARG A 49 -7.520 -4.027 -13.160 1.00 0.00 N ATOM 762 CZ ARG A 49 -7.752 -5.290 -13.567 1.00 0.00 C ATOM 763 NH1 ARG A 49 -6.777 -6.214 -13.563 1.00 0.00 N ATOM 764 NH2 ARG A 49 -8.978 -5.635 -13.982 1.00 0.00 N ATOM 0 H ARG A 49 -3.270 0.312 -12.624 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.954 -1.743 -10.962 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.380 -0.155 -12.403 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.111 -1.258 -13.738 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.392 -2.056 -11.084 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.291 -1.635 -12.528 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.493 -3.559 -13.469 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.871 -4.144 -11.861 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.303 -3.374 -13.195 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.840 -5.965 -13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.974 -7.165 -13.875 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.728 -4.943 -13.988 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.162 -6.589 -14.292 1.00 0.00 H new ATOM 778 N GLU A 50 -2.571 -2.924 -13.713 1.00 0.00 N ATOM 779 CA GLU A 50 -2.207 -4.085 -14.527 1.00 0.00 C ATOM 780 C GLU A 50 -1.394 -5.111 -13.720 1.00 0.00 C ATOM 781 O GLU A 50 -1.303 -6.281 -14.095 1.00 0.00 O ATOM 782 CB GLU A 50 -1.410 -3.606 -15.754 1.00 0.00 C ATOM 783 CG GLU A 50 -1.138 -4.753 -16.735 1.00 0.00 C ATOM 784 CD GLU A 50 -0.984 -4.313 -18.198 1.00 0.00 C ATOM 785 OE1 GLU A 50 -0.257 -3.318 -18.407 1.00 0.00 O ATOM 786 OE2 GLU A 50 -1.585 -4.968 -19.080 1.00 0.00 O ATOM 0 H GLU A 50 -2.190 -2.052 -14.079 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.120 -4.585 -14.852 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.963 -2.816 -16.262 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.464 -3.174 -15.428 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.230 -5.271 -16.427 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.954 -5.473 -16.669 1.00 0.00 H new ATOM 793 N ASN A 51 -0.808 -4.668 -12.586 1.00 0.00 N ATOM 794 CA ASN A 51 0.001 -5.467 -11.656 1.00 0.00 C ATOM 795 C ASN A 51 -0.595 -5.447 -10.230 1.00 0.00 C ATOM 796 O ASN A 51 -0.208 -6.263 -9.389 1.00 0.00 O ATOM 797 CB ASN A 51 1.446 -4.929 -11.633 1.00 0.00 C ATOM 798 CG ASN A 51 2.239 -5.229 -12.918 1.00 0.00 C ATOM 799 OD1 ASN A 51 2.710 -6.341 -13.136 1.00 0.00 O ATOM 800 ND2 ASN A 51 2.392 -4.201 -13.764 1.00 0.00 N ATOM 0 H ASN A 51 -0.894 -3.697 -12.285 1.00 0.00 H new ATOM 0 HA ASN A 51 0.000 -6.500 -12.003 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.420 -3.851 -11.476 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.972 -5.362 -10.782 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.917 -4.326 -14.629 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.983 -3.293 -13.543 1.00 0.00 H new ATOM 807 N VAL A 52 -1.519 -4.508 -9.951 1.00 0.00 N ATOM 808 CA VAL A 52 -2.195 -4.317 -8.658 1.00 0.00 C ATOM 809 C VAL A 52 -3.551 -5.054 -8.647 1.00 0.00 C ATOM 810 O VAL A 52 -4.288 -5.014 -9.636 1.00 0.00 O ATOM 811 CB VAL A 52 -2.375 -2.801 -8.377 1.00 0.00 C ATOM 812 CG1 VAL A 52 -3.859 -2.399 -8.310 1.00 0.00 C ATOM 813 CG2 VAL A 52 -1.710 -2.362 -7.060 1.00 0.00 C ATOM 0 H VAL A 52 -1.826 -3.834 -10.652 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.580 -4.741 -7.864 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.890 -2.299 -9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.938 -1.330 -8.112 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.341 -2.628 -9.260 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.350 -2.954 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.866 -1.293 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.151 -2.912 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.641 -2.570 -7.105 1.00 0.00 H new ATOM 823 N SER A 53 -3.895 -5.719 -7.525 1.00 0.00 N ATOM 824 CA SER A 53 -5.188 -6.377 -7.290 1.00 0.00 C ATOM 825 C SER A 53 -5.688 -6.167 -5.842 1.00 0.00 C ATOM 826 O SER A 53 -4.890 -5.890 -4.947 1.00 0.00 O ATOM 827 CB SER A 53 -5.079 -7.879 -7.610 1.00 0.00 C ATOM 828 OG SER A 53 -4.709 -8.625 -6.465 1.00 0.00 O ATOM 0 H SER A 53 -3.257 -5.813 -6.735 1.00 0.00 H new ATOM 0 HA SER A 53 -5.921 -5.919 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.034 -8.242 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.343 -8.032 -8.399 1.00 0.00 H new ATOM 0 HG SER A 53 -4.649 -9.575 -6.699 1.00 0.00 H new ATOM 834 N PHE A 54 -7.018 -6.283 -5.644 1.00 0.00 N ATOM 835 CA PHE A 54 -7.761 -5.758 -4.488 1.00 0.00 C ATOM 836 C PHE A 54 -8.298 -6.887 -3.575 1.00 0.00 C ATOM 837 O PHE A 54 -8.854 -7.882 -4.042 1.00 0.00 O ATOM 838 CB PHE A 54 -8.931 -4.879 -4.974 1.00 0.00 C ATOM 839 CG PHE A 54 -8.552 -3.773 -5.950 1.00 0.00 C ATOM 840 CD1 PHE A 54 -8.169 -2.498 -5.470 1.00 0.00 C ATOM 841 CD2 PHE A 54 -8.552 -4.025 -7.341 1.00 0.00 C ATOM 842 CE1 PHE A 54 -7.718 -1.508 -6.370 1.00 0.00 C ATOM 843 CE2 PHE A 54 -8.088 -3.040 -8.240 1.00 0.00 C ATOM 844 CZ PHE A 54 -7.644 -1.793 -7.751 1.00 0.00 C ATOM 0 H PHE A 54 -7.622 -6.763 -6.311 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.067 -5.161 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.673 -5.521 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.409 -4.426 -4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.222 -2.282 -4.413 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.908 -4.973 -7.717 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.430 -0.534 -6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.073 -3.241 -9.301 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.247 -1.056 -8.434 1.00 0.00 H new ATOM 854 N TYR A 55 -8.121 -6.719 -2.251 1.00 0.00 N ATOM 855 CA TYR A 55 -8.637 -7.529 -1.143 1.00 0.00 C ATOM 856 C TYR A 55 -9.655 -6.749 -0.270 1.00 0.00 C ATOM 857 O TYR A 55 -9.953 -5.581 -0.507 1.00 0.00 O ATOM 858 CB TYR A 55 -7.465 -7.973 -0.235 1.00 0.00 C ATOM 859 CG TYR A 55 -6.285 -8.602 -0.959 1.00 0.00 C ATOM 860 CD1 TYR A 55 -6.492 -9.733 -1.787 1.00 0.00 C ATOM 861 CD2 TYR A 55 -4.979 -8.090 -0.793 1.00 0.00 C ATOM 862 CE1 TYR A 55 -5.412 -10.303 -2.491 1.00 0.00 C ATOM 863 CE2 TYR A 55 -3.898 -8.665 -1.494 1.00 0.00 C ATOM 864 CZ TYR A 55 -4.113 -9.766 -2.350 1.00 0.00 C ATOM 865 OH TYR A 55 -3.067 -10.308 -3.040 1.00 0.00 O ATOM 0 H TYR A 55 -7.561 -5.940 -1.903 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.143 -8.388 -1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.109 -7.106 0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.844 -8.687 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.480 -10.160 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.808 -7.256 -0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.578 -11.151 -3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.903 -8.261 -1.375 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.980 -9.860 -3.907 1.00 0.00 H new ATOM 875 N ALA A 56 -10.149 -7.441 0.787 1.00 0.00 N ATOM 876 CA ALA A 56 -10.855 -6.875 1.942 1.00 0.00 C ATOM 877 C ALA A 56 -9.875 -6.209 2.934 1.00 0.00 C ATOM 878 O ALA A 56 -10.179 -5.141 3.476 1.00 0.00 O ATOM 879 CB ALA A 56 -11.666 -7.977 2.645 1.00 0.00 C ATOM 0 H ALA A 56 -10.057 -8.455 0.851 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.533 -6.101 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.189 -7.553 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.392 -8.396 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.993 -8.764 2.984 1.00 0.00 H new ATOM 885 N ASN A 57 -8.709 -6.835 3.190 1.00 0.00 N ATOM 886 CA ASN A 57 -7.723 -6.414 4.198 1.00 0.00 C ATOM 887 C ASN A 57 -6.328 -7.013 3.910 1.00 0.00 C ATOM 888 O ASN A 57 -6.161 -7.776 2.958 1.00 0.00 O ATOM 889 CB ASN A 57 -8.200 -6.846 5.601 1.00 0.00 C ATOM 890 CG ASN A 57 -8.416 -8.358 5.731 1.00 0.00 C ATOM 891 OD1 ASN A 57 -7.459 -9.118 5.872 1.00 0.00 O ATOM 892 ND2 ASN A 57 -9.675 -8.802 5.689 1.00 0.00 N ATOM 0 H ASN A 57 -8.421 -7.673 2.684 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.636 -5.328 4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.466 -6.526 6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.132 -6.332 5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.867 -9.800 5.775 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.445 -8.143 5.571 1.00 0.00 H new ATOM 899 N ALA A 58 -5.328 -6.668 4.748 1.00 0.00 N ATOM 900 CA ALA A 58 -3.913 -7.023 4.579 1.00 0.00 C ATOM 901 C ALA A 58 -3.642 -8.483 5.006 1.00 0.00 C ATOM 902 O ALA A 58 -2.575 -9.024 4.708 1.00 0.00 O ATOM 903 CB ALA A 58 -3.035 -6.054 5.389 1.00 0.00 C ATOM 0 H ALA A 58 -5.495 -6.115 5.589 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.663 -6.939 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.986 -6.320 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.196 -5.035 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.300 -6.119 6.444 1.00 0.00 H new ATOM 909 N SER A 59 -4.596 -9.108 5.720 1.00 0.00 N ATOM 910 CA SER A 59 -4.607 -10.538 6.074 1.00 0.00 C ATOM 911 C SER A 59 -4.891 -11.438 4.853 1.00 0.00 C ATOM 912 O SER A 59 -4.329 -12.530 4.743 1.00 0.00 O ATOM 913 CB SER A 59 -5.626 -10.793 7.202 1.00 0.00 C ATOM 914 OG SER A 59 -5.968 -12.162 7.301 1.00 0.00 O ATOM 0 H SER A 59 -5.411 -8.611 6.080 1.00 0.00 H new ATOM 0 HA SER A 59 -3.611 -10.802 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.211 -10.452 8.151 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.526 -10.206 7.019 1.00 0.00 H new ATOM 0 HG SER A 59 -6.614 -12.286 8.027 1.00 0.00 H new ATOM 920 N GLU A 60 -5.751 -10.968 3.931 1.00 0.00 N ATOM 921 CA GLU A 60 -5.987 -11.546 2.598 1.00 0.00 C ATOM 922 C GLU A 60 -4.717 -11.414 1.729 1.00 0.00 C ATOM 923 O GLU A 60 -4.322 -12.346 1.030 1.00 0.00 O ATOM 924 CB GLU A 60 -7.193 -10.848 1.928 1.00 0.00 C ATOM 925 CG GLU A 60 -7.735 -11.641 0.725 1.00 0.00 C ATOM 926 CD GLU A 60 -9.182 -11.304 0.350 1.00 0.00 C ATOM 927 OE1 GLU A 60 -10.021 -11.181 1.272 1.00 0.00 O ATOM 928 OE2 GLU A 60 -9.430 -11.176 -0.869 1.00 0.00 O ATOM 0 H GLU A 60 -6.323 -10.141 4.103 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.218 -12.606 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.988 -10.718 2.662 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.896 -9.852 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.095 -11.454 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.668 -12.706 0.946 1.00 0.00 H new ATOM 935 N ALA A 61 -4.072 -10.225 1.807 1.00 0.00 N ATOM 936 CA ALA A 61 -2.805 -9.900 1.141 1.00 0.00 C ATOM 937 C ALA A 61 -1.624 -10.652 1.792 1.00 0.00 C ATOM 938 O ALA A 61 -0.653 -10.988 1.112 1.00 0.00 O ATOM 939 CB ALA A 61 -2.568 -8.381 1.182 1.00 0.00 C ATOM 0 H ALA A 61 -4.438 -9.446 2.355 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.869 -10.222 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.626 -8.146 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.384 -7.871 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.525 -8.047 2.219 1.00 0.00 H new ATOM 945 N LEU A 62 -1.724 -10.934 3.104 1.00 0.00 N ATOM 946 CA LEU A 62 -0.866 -11.878 3.842 1.00 0.00 C ATOM 947 C LEU A 62 -1.125 -13.324 3.366 1.00 0.00 C ATOM 948 O LEU A 62 -0.198 -14.126 3.246 1.00 0.00 O ATOM 949 CB LEU A 62 -1.139 -11.758 5.357 1.00 0.00 C ATOM 950 CG LEU A 62 0.003 -11.127 6.186 1.00 0.00 C ATOM 951 CD1 LEU A 62 -0.455 -10.975 7.645 1.00 0.00 C ATOM 952 CD2 LEU A 62 1.288 -11.970 6.150 1.00 0.00 C ATOM 0 H LEU A 62 -2.428 -10.496 3.699 1.00 0.00 H new ATOM 0 HA LEU A 62 0.178 -11.632 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.041 -11.164 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.346 -12.753 5.752 1.00 0.00 H new ATOM 0 HG LEU A 62 0.230 -10.156 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.347 -10.530 8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.334 -10.332 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.704 -11.955 8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.059 -11.484 6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.085 -12.961 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.633 -12.064 5.120 1.00 0.00 H new ATOM 964 N ALA A 63 -2.412 -13.648 3.109 1.00 0.00 N ATOM 965 CA ALA A 63 -2.891 -14.909 2.527 1.00 0.00 C ATOM 966 C ALA A 63 -2.336 -15.130 1.102 1.00 0.00 C ATOM 967 O ALA A 63 -2.173 -16.278 0.676 1.00 0.00 O ATOM 968 CB ALA A 63 -4.429 -14.926 2.509 1.00 0.00 C ATOM 0 H ALA A 63 -3.176 -13.003 3.313 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.526 -15.725 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.777 -15.864 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.806 -14.834 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.795 -14.092 1.910 1.00 0.00 H new ATOM 974 N ALA A 64 -2.057 -14.041 0.361 1.00 0.00 N ATOM 975 CA ALA A 64 -1.402 -14.051 -0.956 1.00 0.00 C ATOM 976 C ALA A 64 0.135 -14.117 -0.821 1.00 0.00 C ATOM 977 O ALA A 64 0.839 -14.294 -1.817 1.00 0.00 O ATOM 978 CB ALA A 64 -1.819 -12.807 -1.758 1.00 0.00 C ATOM 0 H ALA A 64 -2.290 -13.099 0.676 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.724 -14.945 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.330 -12.821 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.900 -12.808 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.523 -11.909 -1.216 1.00 0.00 H new ATOM 984 N GLY A 65 0.650 -13.990 0.417 1.00 0.00 N ATOM 985 CA GLY A 65 2.062 -14.166 0.779 1.00 0.00 C ATOM 986 C GLY A 65 2.921 -12.949 0.376 1.00 0.00 C ATOM 987 O GLY A 65 3.995 -13.111 -0.205 1.00 0.00 O ATOM 0 H GLY A 65 0.068 -13.753 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.143 -14.326 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.451 -15.061 0.293 1.00 0.00 H new ATOM 991 N PHE A 66 2.436 -11.728 0.676 1.00 0.00 N ATOM 992 CA PHE A 66 3.157 -10.458 0.517 1.00 0.00 C ATOM 993 C PHE A 66 3.710 -9.962 1.872 1.00 0.00 C ATOM 994 O PHE A 66 3.570 -10.647 2.886 1.00 0.00 O ATOM 995 CB PHE A 66 2.229 -9.392 -0.100 1.00 0.00 C ATOM 996 CG PHE A 66 1.702 -9.706 -1.495 1.00 0.00 C ATOM 997 CD1 PHE A 66 1.586 -11.050 -1.925 1.00 0.00 C ATOM 998 CD2 PHE A 66 1.307 -8.662 -2.361 1.00 0.00 C ATOM 999 CE1 PHE A 66 1.109 -11.342 -3.220 1.00 0.00 C ATOM 1000 CE2 PHE A 66 0.879 -8.953 -3.675 1.00 0.00 C ATOM 1001 CZ PHE A 66 0.755 -10.293 -4.094 1.00 0.00 C ATOM 0 H PHE A 66 1.496 -11.599 1.049 1.00 0.00 H new ATOM 0 HA PHE A 66 3.999 -10.627 -0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.378 -9.247 0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.768 -8.445 -0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.864 -11.854 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.332 -7.639 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.015 -12.369 -3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.647 -8.149 -4.358 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.389 -10.517 -5.085 1.00 0.00 H new ATOM 1011 N ARG A 67 4.351 -8.778 1.877 1.00 0.00 N ATOM 1012 CA ARG A 67 4.720 -8.002 3.070 1.00 0.00 C ATOM 1013 C ARG A 67 4.080 -6.592 3.040 1.00 0.00 C ATOM 1014 O ARG A 67 3.631 -6.163 1.974 1.00 0.00 O ATOM 1015 CB ARG A 67 6.260 -7.897 3.153 1.00 0.00 C ATOM 1016 CG ARG A 67 6.953 -9.229 2.852 1.00 0.00 C ATOM 1017 CD ARG A 67 7.716 -9.249 1.522 1.00 0.00 C ATOM 1018 NE ARG A 67 9.100 -9.685 1.758 1.00 0.00 N ATOM 1019 CZ ARG A 67 10.139 -8.902 2.094 1.00 0.00 C ATOM 1020 NH1 ARG A 67 9.992 -7.578 2.255 1.00 0.00 N ATOM 1021 NH2 ARG A 67 11.343 -9.465 2.271 1.00 0.00 N ATOM 0 H ARG A 67 4.637 -8.319 1.012 1.00 0.00 H new ATOM 0 HA ARG A 67 4.342 -8.515 3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.608 -7.142 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.545 -7.559 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.647 -9.456 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.205 -10.022 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.226 -9.923 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.708 -8.257 1.071 1.00 0.00 H new ATOM 0 HE ARG A 67 9.291 -10.682 1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.077 -7.147 2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.795 -7.003 2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.458 -10.471 2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.144 -8.887 2.526 1.00 0.00 H new ATOM 1035 N PRO A 68 3.982 -5.868 4.180 1.00 0.00 N ATOM 1036 CA PRO A 68 3.440 -4.499 4.255 1.00 0.00 C ATOM 1037 C PRO A 68 4.299 -3.410 3.573 1.00 0.00 C ATOM 1038 O PRO A 68 5.529 -3.481 3.595 1.00 0.00 O ATOM 1039 CB PRO A 68 3.245 -4.202 5.753 1.00 0.00 C ATOM 1040 CG PRO A 68 3.346 -5.567 6.438 1.00 0.00 C ATOM 1041 CD PRO A 68 4.322 -6.307 5.530 1.00 0.00 C ATOM 0 HA PRO A 68 2.507 -4.463 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.007 -3.516 6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.278 -3.735 5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.721 -5.485 7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.380 -6.068 6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.355 -6.062 5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.217 -7.387 5.633 1.00 0.00 H new ATOM 1049 N CYS A 69 3.640 -2.394 2.986 1.00 0.00 N ATOM 1050 CA CYS A 69 4.226 -1.240 2.285 1.00 0.00 C ATOM 1051 C CYS A 69 4.938 -0.299 3.279 1.00 0.00 C ATOM 1052 O CYS A 69 4.535 -0.219 4.446 1.00 0.00 O ATOM 1053 CB CYS A 69 3.102 -0.532 1.493 1.00 0.00 C ATOM 1054 SG CYS A 69 3.680 0.844 0.439 1.00 0.00 S ATOM 0 H CYS A 69 2.621 -2.356 2.990 1.00 0.00 H new ATOM 0 HA CYS A 69 4.992 -1.568 1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.596 -1.267 0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.362 -0.150 2.197 1.00 0.00 H new ATOM 1059 N LYS A 70 5.985 0.426 2.839 1.00 0.00 N ATOM 1060 CA LYS A 70 6.877 1.229 3.691 1.00 0.00 C ATOM 1061 C LYS A 70 6.202 2.554 4.120 1.00 0.00 C ATOM 1062 O LYS A 70 6.843 3.384 4.772 1.00 0.00 O ATOM 1063 CB LYS A 70 8.205 1.487 2.946 1.00 0.00 C ATOM 1064 CG LYS A 70 9.358 1.846 3.899 1.00 0.00 C ATOM 1065 CD LYS A 70 9.861 0.636 4.698 1.00 0.00 C ATOM 1066 CE LYS A 70 10.069 -0.562 3.759 1.00 0.00 C ATOM 1067 NZ LYS A 70 10.853 -1.634 4.397 1.00 0.00 N ATOM 0 H LYS A 70 6.239 0.469 1.852 1.00 0.00 H new ATOM 0 HA LYS A 70 7.089 0.673 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.475 0.599 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.064 2.297 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.183 2.265 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.026 2.621 4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.797 0.884 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.142 0.379 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.100 -0.955 3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.578 -0.230 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.970 -2.423 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.788 -1.267 4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.355 -1.970 5.246 1.00 0.00 H new ATOM 1081 N ARG A 71 4.929 2.764 3.741 1.00 0.00 N ATOM 1082 CA ARG A 71 4.184 4.032 3.817 1.00 0.00 C ATOM 1083 C ARG A 71 2.745 3.804 4.326 1.00 0.00 C ATOM 1084 O ARG A 71 2.276 4.511 5.219 1.00 0.00 O ATOM 1085 CB ARG A 71 4.190 4.676 2.412 1.00 0.00 C ATOM 1086 CG ARG A 71 4.417 6.193 2.427 1.00 0.00 C ATOM 1087 CD ARG A 71 5.197 6.660 1.190 1.00 0.00 C ATOM 1088 NE ARG A 71 5.735 8.015 1.386 1.00 0.00 N ATOM 1089 CZ ARG A 71 6.672 8.608 0.622 1.00 0.00 C ATOM 1090 NH1 ARG A 71 7.296 7.942 -0.362 1.00 0.00 N ATOM 1091 NH2 ARG A 71 6.986 9.892 0.847 1.00 0.00 N ATOM 0 H ARG A 71 4.361 2.011 3.352 1.00 0.00 H new ATOM 0 HA ARG A 71 4.662 4.702 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.969 4.207 1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.240 4.465 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.456 6.705 2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.963 6.471 3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.013 5.967 0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.544 6.647 0.318 1.00 0.00 H new ATOM 0 HE ARG A 71 5.366 8.553 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.064 6.966 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.003 8.412 -0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.517 10.409 1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.694 10.352 0.275 1.00 0.00 H new ATOM 1105 N CYS A 72 2.038 2.819 3.731 1.00 0.00 N ATOM 1106 CA CYS A 72 0.581 2.627 3.803 1.00 0.00 C ATOM 1107 C CYS A 72 0.203 1.675 4.955 1.00 0.00 C ATOM 1108 O CYS A 72 -0.790 1.909 5.651 1.00 0.00 O ATOM 1109 CB CYS A 72 0.073 2.132 2.430 1.00 0.00 C ATOM 1110 SG CYS A 72 0.935 2.993 1.077 1.00 0.00 S ATOM 0 H CYS A 72 2.493 2.105 3.162 1.00 0.00 H new ATOM 0 HA CYS A 72 0.092 3.575 4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.232 1.057 2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.001 2.303 2.351 1.00 0.00 H new ATOM 1115 N GLN A 73 1.009 0.619 5.188 1.00 0.00 N ATOM 1116 CA GLN A 73 1.046 -0.128 6.457 1.00 0.00 C ATOM 1117 C GLN A 73 1.333 0.859 7.622 1.00 0.00 C ATOM 1118 O GLN A 73 2.433 1.414 7.653 1.00 0.00 O ATOM 1119 CB GLN A 73 2.148 -1.204 6.365 1.00 0.00 C ATOM 1120 CG GLN A 73 2.312 -2.028 7.661 1.00 0.00 C ATOM 1121 CD GLN A 73 1.208 -3.059 7.931 1.00 0.00 C ATOM 1122 OE1 GLN A 73 0.064 -2.842 7.541 1.00 0.00 O ATOM 1123 NE2 GLN A 73 1.524 -4.178 8.596 1.00 0.00 N ATOM 0 H GLN A 73 1.660 0.259 4.490 1.00 0.00 H new ATOM 0 HA GLN A 73 0.089 -0.615 6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.918 -1.879 5.541 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.096 -0.722 6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.269 -2.548 7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.357 -1.340 8.505 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.483 -4.332 8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.806 -4.876 8.790 1.00 0.00 H new ATOM 1132 N PRO A 74 0.379 1.132 8.538 1.00 0.00 N ATOM 1133 CA PRO A 74 0.351 2.283 9.465 1.00 0.00 C ATOM 1134 C PRO A 74 1.733 2.889 9.803 1.00 0.00 C ATOM 1135 O PRO A 74 2.302 2.607 10.858 1.00 0.00 O ATOM 1136 CB PRO A 74 -0.355 1.734 10.716 1.00 0.00 C ATOM 1137 CG PRO A 74 -1.366 0.731 10.153 1.00 0.00 C ATOM 1138 CD PRO A 74 -0.856 0.373 8.754 1.00 0.00 C ATOM 0 HA PRO A 74 -0.164 3.127 9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.350 1.254 11.395 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.848 2.527 11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.432 -0.155 10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.365 1.165 10.107 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.669 -0.698 8.675 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.599 0.624 7.997 1.00 0.00 H new ATOM 1146 N ASP A 75 2.254 3.742 8.895 1.00 0.00 N ATOM 1147 CA ASP A 75 3.460 4.565 9.054 1.00 0.00 C ATOM 1148 C ASP A 75 4.729 3.690 9.127 1.00 0.00 C ATOM 1149 O ASP A 75 5.405 3.669 10.162 1.00 0.00 O ATOM 1150 CB ASP A 75 3.305 5.450 10.312 1.00 0.00 C ATOM 1151 CG ASP A 75 4.501 6.378 10.553 1.00 0.00 C ATOM 1152 OD1 ASP A 75 5.102 6.812 9.546 1.00 0.00 O ATOM 1153 OD2 ASP A 75 4.792 6.646 11.740 1.00 0.00 O ATOM 0 H ASP A 75 1.816 3.878 7.984 1.00 0.00 H new ATOM 0 HA ASP A 75 3.575 5.208 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.401 6.052 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.170 4.810 11.184 1.00 0.00 H new ATOM 1158 N LYS A 76 5.057 2.956 8.045 1.00 0.00 N ATOM 1159 CA LYS A 76 6.206 2.041 7.962 1.00 0.00 C ATOM 1160 C LYS A 76 7.448 2.785 7.427 1.00 0.00 C ATOM 1161 O LYS A 76 8.349 2.163 6.861 1.00 0.00 O ATOM 1162 CB LYS A 76 5.844 0.827 7.079 1.00 0.00 C ATOM 1163 CG LYS A 76 6.763 -0.386 7.316 1.00 0.00 C ATOM 1164 CD LYS A 76 6.018 -1.548 7.991 1.00 0.00 C ATOM 1165 CE LYS A 76 6.128 -1.445 9.520 1.00 0.00 C ATOM 1166 NZ LYS A 76 7.300 -2.171 10.039 1.00 0.00 N ATOM 0 H LYS A 76 4.513 2.986 7.183 1.00 0.00 H new ATOM 0 HA LYS A 76 6.450 1.673 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.812 0.537 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.900 1.118 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.173 -0.722 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.607 -0.086 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.969 -1.536 7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.433 -2.498 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.194 -0.396 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.222 -1.845 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.337 -2.076 11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.225 -3.177 9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.167 -1.773 9.624 1.00 0.00 H new ATOM 1180 N ALA A 77 7.502 4.117 7.624 1.00 0.00 N ATOM 1181 CA ALA A 77 8.448 5.040 6.980 1.00 0.00 C ATOM 1182 C ALA A 77 9.893 4.786 7.460 1.00 0.00 C ATOM 1183 O ALA A 77 10.103 4.115 8.472 1.00 0.00 O ATOM 1184 CB ALA A 77 8.032 6.492 7.264 1.00 0.00 C ATOM 0 H ALA A 77 6.863 4.594 8.260 1.00 0.00 H new ATOM 0 HA ALA A 77 8.423 4.864 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.736 7.172 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.031 6.668 6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.033 6.667 8.340 1.00 0.00 H new ATOM 1190 N ASN A 78 10.887 5.340 6.739 1.00 0.00 N ATOM 1191 CA ASN A 78 12.316 5.303 7.081 1.00 0.00 C ATOM 1192 C ASN A 78 12.853 6.726 7.376 1.00 0.00 C ATOM 1193 O ASN A 78 12.579 7.643 6.598 1.00 0.00 O ATOM 1194 CB ASN A 78 13.115 4.673 5.920 1.00 0.00 C ATOM 1195 CG ASN A 78 13.326 5.629 4.740 1.00 0.00 C ATOM 1196 OD1 ASN A 78 14.406 6.193 4.575 1.00 0.00 O ATOM 1197 ND2 ASN A 78 12.295 5.810 3.909 1.00 0.00 N ATOM 0 H ASN A 78 10.706 5.844 5.871 1.00 0.00 H new ATOM 0 HA ASN A 78 12.438 4.697 7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.086 4.346 6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.592 3.783 5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.390 6.433 3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.413 5.325 4.077 1.00 0.00 H new ATOM 1204 N PRO A 79 13.640 6.939 8.461 1.00 0.00 N ATOM 1205 CA PRO A 79 14.367 8.191 8.728 1.00 0.00 C ATOM 1206 C PRO A 79 15.547 8.411 7.754 1.00 0.00 C ATOM 1207 O PRO A 79 16.625 7.852 7.956 1.00 0.00 O ATOM 1208 CB PRO A 79 14.856 8.073 10.180 1.00 0.00 C ATOM 1209 CG PRO A 79 15.030 6.566 10.365 1.00 0.00 C ATOM 1210 CD PRO A 79 13.856 6.006 9.562 1.00 0.00 C ATOM 0 HA PRO A 79 13.720 9.056 8.581 1.00 0.00 H new ATOM 0 HB2 PRO A 79 15.792 8.609 10.335 1.00 0.00 H new ATOM 0 HB3 PRO A 79 14.133 8.485 10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.989 6.217 9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.981 6.276 11.415 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.080 5.007 9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.964 5.922 10.183 1.00 0.00 H new ATOM 1218 N ARG A 80 15.328 9.217 6.700 1.00 0.00 N ATOM 1219 CA ARG A 80 16.320 9.740 5.743 1.00 0.00 C ATOM 1220 C ARG A 80 17.756 9.708 6.308 1.00 0.00 C ATOM 1221 O ARG A 80 18.588 8.918 5.862 1.00 0.00 O ATOM 1222 CB ARG A 80 15.913 11.177 5.345 1.00 0.00 C ATOM 1223 CG ARG A 80 16.258 11.508 3.885 1.00 0.00 C ATOM 1224 CD ARG A 80 16.529 13.007 3.695 1.00 0.00 C ATOM 1225 NE ARG A 80 15.276 13.742 3.473 1.00 0.00 N ATOM 1226 CZ ARG A 80 14.559 14.379 4.418 1.00 0.00 C ATOM 1227 NH1 ARG A 80 14.940 14.377 5.705 1.00 0.00 N ATOM 1228 NH2 ARG A 80 13.441 15.031 4.066 1.00 0.00 N ATOM 0 H ARG A 80 14.387 9.543 6.479 1.00 0.00 H new ATOM 0 HA ARG A 80 16.327 9.097 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.841 11.302 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 80 16.414 11.887 6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 80 17.135 10.937 3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.436 11.201 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 80 17.037 13.403 4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.198 13.155 2.847 1.00 0.00 H new ATOM 0 HE ARG A 80 14.918 13.772 2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 80 15.789 13.886 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.381 14.867 6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.142 15.041 3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.890 15.517 4.773 1.00 0.00 H new ATOM 1242 N GLN A 81 18.036 10.576 7.303 1.00 0.00 N ATOM 1243 CA GLN A 81 19.267 10.599 8.104 1.00 0.00 C ATOM 1244 C GLN A 81 20.514 10.440 7.207 1.00 0.00 C ATOM 1245 O GLN A 81 21.453 9.731 7.569 1.00 0.00 O ATOM 1246 CB GLN A 81 19.192 9.492 9.177 1.00 0.00 C ATOM 1247 CG GLN A 81 20.042 9.800 10.425 1.00 0.00 C ATOM 1248 CD GLN A 81 19.515 10.956 11.288 1.00 0.00 C ATOM 1249 OE1 GLN A 81 18.495 11.555 10.953 1.00 0.00 O ATOM 1250 NE2 GLN A 81 20.190 11.285 12.394 1.00 0.00 N ATOM 0 H GLN A 81 17.380 11.308 7.577 1.00 0.00 H new ATOM 0 HA GLN A 81 19.358 11.564 8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 81 18.153 9.355 9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.525 8.550 8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 81 20.100 8.902 11.040 1.00 0.00 H new ATOM 0 HG3 GLN A 81 21.058 10.035 10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 81 21.034 10.771 12.648 1.00 0.00 H new ATOM 0 HE22 GLN A 81 19.861 12.050 12.983 1.00 0.00 H new ATOM 1259 N HIS A 82 20.509 11.091 6.028 1.00 0.00 N ATOM 1260 CA HIS A 82 21.613 11.110 5.057 1.00 0.00 C ATOM 1261 C HIS A 82 21.714 9.772 4.293 1.00 0.00 C ATOM 1262 O HIS A 82 21.851 8.714 4.909 1.00 0.00 O ATOM 1263 CB HIS A 82 22.944 11.461 5.766 1.00 0.00 C ATOM 1264 CG HIS A 82 22.827 12.630 6.714 1.00 0.00 C ATOM 1265 ND1 HIS A 82 21.790 13.558 6.601 1.00 0.00 N ATOM 1266 CD2 HIS A 82 23.620 12.979 7.776 1.00 0.00 C ATOM 1267 CE1 HIS A 82 21.998 14.426 7.594 1.00 0.00 C ATOM 1268 NE2 HIS A 82 23.081 14.123 8.329 1.00 0.00 N ATOM 0 H HIS A 82 19.706 11.637 5.717 1.00 0.00 H new ATOM 0 HA HIS A 82 21.406 11.884 4.318 1.00 0.00 H new ATOM 0 HB2 HIS A 82 23.294 10.589 6.318 1.00 0.00 H new ATOM 0 HB3 HIS A 82 23.700 11.687 5.014 1.00 0.00 H new ATOM 0 HD2 HIS A 82 24.502 12.457 8.116 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.364 15.279 7.786 1.00 0.00 H new ATOM 0 HE2 HIS A 82 23.435 14.637 9.136 1.00 0.00 H new ATOM 1276 N ARG A 83 21.665 9.827 2.948 1.00 0.00 N ATOM 1277 CA ARG A 83 22.046 8.743 2.032 1.00 0.00 C ATOM 1278 C ARG A 83 23.539 8.380 2.190 1.00 0.00 C ATOM 1279 O ARG A 83 24.403 9.062 1.633 1.00 0.00 O ATOM 1280 CB ARG A 83 21.719 9.163 0.583 1.00 0.00 C ATOM 1281 CG ARG A 83 20.354 8.640 0.109 1.00 0.00 C ATOM 1282 CD ARG A 83 20.508 7.529 -0.937 1.00 0.00 C ATOM 1283 NE ARG A 83 21.530 6.556 -0.523 1.00 0.00 N ATOM 1284 CZ ARG A 83 21.806 5.392 -1.138 1.00 0.00 C ATOM 1285 NH1 ARG A 83 21.227 5.063 -2.303 1.00 0.00 N ATOM 1286 NH2 ARG A 83 22.679 4.543 -0.577 1.00 0.00 N ATOM 0 H ARG A 83 21.346 10.661 2.454 1.00 0.00 H new ATOM 0 HA ARG A 83 21.474 7.848 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.731 10.251 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 83 22.497 8.791 -0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.792 8.261 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.776 9.461 -0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 83 19.553 7.022 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 83 20.783 7.964 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 83 22.079 6.784 0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 83 20.562 5.701 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 83 21.452 4.175 -2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 83 23.127 4.782 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 83 22.895 3.658 -1.035 1.00 0.00 H new ATOM 1300 N LEU A 84 23.836 7.299 2.932 1.00 0.00 N ATOM 1301 CA LEU A 84 25.184 6.856 3.331 1.00 0.00 C ATOM 1302 C LEU A 84 25.138 5.571 4.196 1.00 0.00 C ATOM 1303 O LEU A 84 24.513 5.569 5.256 1.00 0.00 O ATOM 1304 CB LEU A 84 25.915 7.975 4.100 1.00 0.00 C ATOM 1305 CG LEU A 84 27.439 7.793 4.262 1.00 0.00 C ATOM 1306 CD1 LEU A 84 27.991 8.939 5.125 1.00 0.00 C ATOM 1307 CD2 LEU A 84 27.802 6.452 4.921 1.00 0.00 C ATOM 0 H LEU A 84 23.107 6.680 3.287 1.00 0.00 H new ATOM 0 HA LEU A 84 25.731 6.627 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 84 25.733 8.920 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 84 25.471 8.059 5.092 1.00 0.00 H new ATOM 0 HG LEU A 84 27.881 7.803 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 84 29.068 8.818 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 84 27.785 9.893 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 84 27.513 8.920 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 84 28.885 6.373 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 84 27.350 6.399 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 84 27.429 5.632 4.307 1.00 0.00 H new ATOM 1319 N ASP A 85 25.818 4.502 3.744 1.00 0.00 N ATOM 1320 CA ASP A 85 25.945 3.176 4.368 1.00 0.00 C ATOM 1321 C ASP A 85 24.726 2.822 5.251 1.00 0.00 C ATOM 1322 O ASP A 85 23.801 2.152 4.778 1.00 0.00 O ATOM 1323 CB ASP A 85 27.269 3.126 5.165 1.00 0.00 C ATOM 1324 CG ASP A 85 27.765 1.700 5.429 1.00 0.00 C ATOM 1325 OD1 ASP A 85 26.903 0.831 5.685 1.00 0.00 O ATOM 1326 OD2 ASP A 85 28.999 1.498 5.364 1.00 0.00 O ATOM 0 H ASP A 85 26.332 4.548 2.864 1.00 0.00 H new ATOM 0 HA ASP A 85 25.967 2.419 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 85 28.036 3.674 4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 85 27.131 3.637 6.118 1.00 0.00 H new ATOM 1331 N LYS A 86 24.727 3.241 6.530 1.00 0.00 N ATOM 1332 CA LYS A 86 23.789 2.806 7.575 1.00 0.00 C ATOM 1333 C LYS A 86 24.331 3.166 8.975 1.00 0.00 C ATOM 1334 O LYS A 86 25.545 3.247 9.169 1.00 0.00 O ATOM 1335 CB LYS A 86 23.526 1.291 7.441 1.00 0.00 C ATOM 1336 CG LYS A 86 23.056 0.657 8.762 1.00 0.00 C ATOM 1337 CD LYS A 86 22.346 -0.687 8.549 1.00 0.00 C ATOM 1338 CE LYS A 86 21.087 -0.483 7.693 1.00 0.00 C ATOM 1339 NZ LYS A 86 19.895 -1.084 8.315 1.00 0.00 N ATOM 0 H LYS A 86 25.408 3.918 6.874 1.00 0.00 H new ATOM 0 HA LYS A 86 22.841 3.330 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 86 22.772 1.123 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 86 24.438 0.795 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 86 23.915 0.511 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 86 22.380 1.344 9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 86 23.019 -1.390 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 86 22.076 -1.122 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.919 0.584 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.243 -0.923 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.067 -0.924 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.044 -2.106 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.730 -0.647 9.244 1.00 0.00 H new ATOM 1353 N ILE A 87 23.425 3.399 9.944 1.00 0.00 N ATOM 1354 CA ILE A 87 23.720 3.917 11.287 1.00 0.00 C ATOM 1355 C ILE A 87 24.225 2.758 12.173 1.00 0.00 C ATOM 1356 O ILE A 87 23.429 2.093 12.839 1.00 0.00 O ATOM 1357 CB ILE A 87 22.468 4.594 11.908 1.00 0.00 C ATOM 1358 CG1 ILE A 87 21.991 5.815 11.088 1.00 0.00 C ATOM 1359 CG2 ILE A 87 22.750 5.016 13.364 1.00 0.00 C ATOM 1360 CD1 ILE A 87 23.036 6.935 10.970 1.00 0.00 C ATOM 0 H ILE A 87 22.430 3.224 9.804 1.00 0.00 H new ATOM 0 HA ILE A 87 24.496 4.679 11.219 1.00 0.00 H new ATOM 0 HB ILE A 87 21.667 3.855 11.891 1.00 0.00 H new ATOM 0 HG12 ILE A 87 21.715 5.482 10.087 1.00 0.00 H new ATOM 0 HG13 ILE A 87 21.090 6.220 11.549 1.00 0.00 H new ATOM 0 HG21 ILE A 87 21.862 5.489 13.784 1.00 0.00 H new ATOM 0 HG22 ILE A 87 23.007 4.137 13.955 1.00 0.00 H new ATOM 0 HG23 ILE A 87 23.581 5.721 13.384 1.00 0.00 H new ATOM 0 HD11 ILE A 87 22.626 7.755 10.381 1.00 0.00 H new ATOM 0 HD12 ILE A 87 23.295 7.297 11.965 1.00 0.00 H new ATOM 0 HD13 ILE A 87 23.930 6.548 10.481 1.00 0.00 H new ATOM 1372 N THR A 88 25.552 2.531 12.192 1.00 0.00 N ATOM 1373 CA THR A 88 26.228 1.472 12.954 1.00 0.00 C ATOM 1374 C THR A 88 26.246 1.830 14.456 1.00 0.00 C ATOM 1375 O THR A 88 25.966 2.972 14.826 1.00 0.00 O ATOM 1376 CB THR A 88 27.657 1.256 12.401 1.00 0.00 C ATOM 1377 OG1 THR A 88 28.085 -0.068 12.663 1.00 0.00 O ATOM 1378 CG2 THR A 88 28.689 2.220 13.010 1.00 0.00 C ATOM 0 H THR A 88 26.204 3.103 11.656 1.00 0.00 H new ATOM 0 HA THR A 88 25.681 0.536 12.843 1.00 0.00 H new ATOM 0 HB THR A 88 27.600 1.449 11.330 1.00 0.00 H new ATOM 0 HG1 THR A 88 28.989 -0.196 12.308 1.00 0.00 H new ATOM 0 HG21 THR A 88 29.671 2.019 12.583 1.00 0.00 H new ATOM 0 HG22 THR A 88 28.401 3.248 12.790 1.00 0.00 H new ATOM 0 HG23 THR A 88 28.727 2.077 14.090 1.00 0.00 H new ATOM 1386 N HIS A 89 26.568 0.847 15.319 1.00 0.00 N ATOM 1387 CA HIS A 89 26.606 0.971 16.783 1.00 0.00 C ATOM 1388 C HIS A 89 25.184 1.085 17.376 1.00 0.00 C ATOM 1389 O HIS A 89 24.216 1.270 16.637 1.00 0.00 O ATOM 1390 CB HIS A 89 27.491 2.173 17.196 1.00 0.00 C ATOM 1391 CG HIS A 89 28.245 1.945 18.485 1.00 0.00 C ATOM 1392 ND1 HIS A 89 28.787 3.010 19.207 1.00 0.00 N ATOM 1393 CD2 HIS A 89 28.526 0.776 19.141 1.00 0.00 C ATOM 1394 CE1 HIS A 89 29.364 2.443 20.270 1.00 0.00 C ATOM 1395 NE2 HIS A 89 29.236 1.106 20.277 1.00 0.00 N ATOM 0 H HIS A 89 26.818 -0.089 15.000 1.00 0.00 H new ATOM 0 HA HIS A 89 27.050 0.064 17.193 1.00 0.00 H new ATOM 0 HB2 HIS A 89 28.204 2.381 16.398 1.00 0.00 H new ATOM 0 HB3 HIS A 89 26.863 3.058 17.302 1.00 0.00 H new ATOM 0 HD2 HIS A 89 28.244 -0.218 18.828 1.00 0.00 H new ATOM 0 HE1 HIS A 89 29.878 2.999 21.040 1.00 0.00 H new ATOM 0 HE2 HIS A 89 29.593 0.462 20.983 1.00 0.00 H new ATOM 1403 N ALA A 90 25.066 0.977 18.713 1.00 0.00 N ATOM 1404 CA ALA A 90 23.800 0.919 19.459 1.00 0.00 C ATOM 1405 C ALA A 90 23.734 2.048 20.511 1.00 0.00 C ATOM 1406 O ALA A 90 24.735 2.720 20.765 1.00 0.00 O ATOM 1407 CB ALA A 90 23.645 -0.451 20.138 1.00 0.00 C ATOM 0 H ALA A 90 25.882 0.926 19.323 1.00 0.00 H new ATOM 0 HA ALA A 90 22.980 1.057 18.755 1.00 0.00 H new ATOM 0 HB1 ALA A 90 22.704 -0.481 20.687 1.00 0.00 H new ATOM 0 HB2 ALA A 90 23.648 -1.235 19.381 1.00 0.00 H new ATOM 0 HB3 ALA A 90 24.473 -0.610 20.829 1.00 0.00 H new ATOM 1413 N CYS A 91 22.546 2.262 21.109 1.00 0.00 N ATOM 1414 CA CYS A 91 22.233 3.374 22.017 1.00 0.00 C ATOM 1415 C CYS A 91 22.674 3.033 23.457 1.00 0.00 C ATOM 1416 O CYS A 91 22.245 2.022 24.015 1.00 0.00 O ATOM 1417 CB CYS A 91 20.725 3.691 21.947 1.00 0.00 C ATOM 1418 SG CYS A 91 20.162 4.600 23.418 1.00 0.00 S ATOM 0 H CYS A 91 21.751 1.640 20.965 1.00 0.00 H new ATOM 0 HA CYS A 91 22.784 4.262 21.707 1.00 0.00 H new ATOM 0 HB2 CYS A 91 20.518 4.280 21.053 1.00 0.00 H new ATOM 0 HB3 CYS A 91 20.161 2.763 21.855 1.00 0.00 H new ATOM 0 HG CYS A 91 18.890 4.847 23.315 1.00 0.00 H new ATOM 1424 N ARG A 92 23.525 3.887 24.057 1.00 0.00 N ATOM 1425 CA ARG A 92 24.079 3.734 25.410 1.00 0.00 C ATOM 1426 C ARG A 92 24.739 5.045 25.864 1.00 0.00 C ATOM 1427 O ARG A 92 25.469 5.666 25.092 1.00 0.00 O ATOM 1428 CB ARG A 92 25.088 2.550 25.432 1.00 0.00 C ATOM 1429 CG ARG A 92 26.126 2.578 26.589 1.00 0.00 C ATOM 1430 CD ARG A 92 27.016 1.323 26.599 1.00 0.00 C ATOM 1431 NE ARG A 92 28.413 1.701 26.963 1.00 0.00 N ATOM 1432 CZ ARG A 92 29.251 2.384 26.189 1.00 0.00 C ATOM 1433 NH1 ARG A 92 28.967 2.761 24.974 1.00 0.00 N ATOM 1434 NH2 ARG A 92 30.415 2.693 26.667 1.00 0.00 N ATOM 1435 OXT ARG A 92 24.505 5.543 27.183 1.00 0.00 O ATOM 0 H ARG A 92 23.856 4.733 23.593 1.00 0.00 H new ATOM 0 HA ARG A 92 23.275 3.509 26.110 1.00 0.00 H new ATOM 0 HB2 ARG A 92 24.526 1.618 25.493 1.00 0.00 H new ATOM 0 HB3 ARG A 92 25.626 2.536 24.484 1.00 0.00 H new ATOM 0 HG2 ARG A 92 26.752 3.465 26.492 1.00 0.00 H new ATOM 0 HG3 ARG A 92 25.604 2.659 27.542 1.00 0.00 H new ATOM 0 HD2 ARG A 92 26.628 0.596 27.312 1.00 0.00 H new ATOM 0 HD3 ARG A 92 27.001 0.847 25.619 1.00 0.00 H new ATOM 0 HE ARG A 92 28.753 1.412 27.880 1.00 0.00 H new ATOM 0 HH11 ARG A 92 28.059 2.533 24.568 1.00 0.00 H new ATOM 0 HH12 ARG A 92 29.653 3.284 24.429 1.00 0.00 H new ATOM 0 HH21 ARG A 92 30.668 2.413 27.615 1.00 0.00 H new ATOM 0 HH22 ARG A 92 31.078 3.217 26.096 1.00 0.00 H new TER 1449 ARG A 92 HETATM 1450 ZN ZN A 93 1.832 1.710 -0.536 1.00 0.00 ZN