USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 878 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 THR OG1 : rot 76:sc= 0.0193 USER MOD Set 2.1: A 5 TYR OH : rot 180:sc= -0.341 USER MOD Set 2.2: A 112 HIS :FLIP no HD1:sc= 0 F(o=-1.5,f=-0.34) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= 0.824! (180deg=-0.0623) USER MOD Single : A 9 SER OG : rot -101:sc= 0.36 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0925 K(o=-0.092,f=-0.92) USER MOD Single : A 25 SER OG : rot -52:sc= 0.979 USER MOD Single : A 35 HIS : no HD1:sc= -0.741 K(o=-0.74,f=-2.9) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.14 F(o=-1.7,f=-0.14) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0285 (180deg=-0.235) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.543 F(o=-1.8,f=-0.54) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.09) USER MOD Single : A 75 SER OG : rot 90:sc=5.91e-05 USER MOD Single : A 83 HIS : no HE2:sc= -0.182 K(o=-0.18,f=-0.81) USER MOD Single : A 85 TYR OH : rot 30:sc= -0.148 USER MOD Single : A 91 SER OG : rot -39:sc= 0.539 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.608 -1.687 8.173 1.00 0.00 N ATOM 2 CA MET A 1 12.370 -3.159 8.146 1.00 0.00 C ATOM 3 C MET A 1 10.868 -3.488 8.202 1.00 0.00 C ATOM 4 O MET A 1 10.282 -3.921 7.214 1.00 0.00 O ATOM 5 CB MET A 1 13.094 -3.839 9.319 1.00 0.00 C ATOM 6 CG MET A 1 12.870 -5.345 9.393 1.00 0.00 C ATOM 7 SD MET A 1 13.667 -6.094 10.827 1.00 0.00 S ATOM 8 CE MET A 1 13.117 -7.793 10.673 1.00 0.00 C ATOM 0 H1 MET A 1 13.630 -1.500 8.134 1.00 0.00 H new ATOM 0 H2 MET A 1 12.144 -1.245 7.354 1.00 0.00 H new ATOM 0 H3 MET A 1 12.216 -1.288 9.050 1.00 0.00 H new ATOM 0 HA MET A 1 12.768 -3.540 7.205 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.163 -3.644 9.235 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.759 -3.385 10.252 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.800 -5.548 9.429 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.252 -5.811 8.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.529 -8.384 11.491 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.028 -7.828 10.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.459 -8.201 9.722 1.00 0.00 H new ATOM 20 N THR A 2 10.255 -3.274 9.365 1.00 0.00 N ATOM 21 CA THR A 2 8.835 -3.598 9.578 1.00 0.00 C ATOM 22 C THR A 2 7.901 -2.589 8.887 1.00 0.00 C ATOM 23 O THR A 2 6.734 -2.885 8.623 1.00 0.00 O ATOM 24 CB THR A 2 8.506 -3.644 11.093 1.00 0.00 C ATOM 25 OG1 THR A 2 9.411 -4.534 11.768 1.00 0.00 O ATOM 26 CG2 THR A 2 7.072 -4.100 11.345 1.00 0.00 C ATOM 0 H THR A 2 10.718 -2.876 10.182 1.00 0.00 H new ATOM 0 HA THR A 2 8.666 -4.579 9.134 1.00 0.00 H new ATOM 0 HB THR A 2 8.618 -2.632 11.483 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.197 -4.555 12.724 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.880 -4.119 12.418 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.380 -3.408 10.865 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.930 -5.099 10.933 1.00 0.00 H new ATOM 34 N LEU A 3 8.416 -1.397 8.599 1.00 0.00 N ATOM 35 CA LEU A 3 7.623 -0.354 7.939 1.00 0.00 C ATOM 36 C LEU A 3 7.436 -0.644 6.442 1.00 0.00 C ATOM 37 O LEU A 3 8.332 -0.394 5.630 1.00 0.00 O ATOM 38 CB LEU A 3 8.285 1.021 8.118 1.00 0.00 C ATOM 39 CG LEU A 3 8.409 1.509 9.570 1.00 0.00 C ATOM 40 CD1 LEU A 3 9.111 2.863 9.629 1.00 0.00 C ATOM 41 CD2 LEU A 3 7.036 1.585 10.236 1.00 0.00 C ATOM 0 H LEU A 3 9.376 -1.126 8.810 1.00 0.00 H new ATOM 0 HA LEU A 3 6.640 -0.348 8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.282 0.985 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.713 1.757 7.553 1.00 0.00 H new ATOM 0 HG LEU A 3 9.014 0.787 10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.187 3.188 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.110 2.774 9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.538 3.595 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.148 1.933 11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.402 2.280 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.576 0.597 10.236 1.00 0.00 H new ATOM 53 N ILE A 4 6.278 -1.188 6.085 1.00 0.00 N ATOM 54 CA ILE A 4 5.934 -1.421 4.679 1.00 0.00 C ATOM 55 C ILE A 4 4.910 -0.385 4.192 1.00 0.00 C ATOM 56 O ILE A 4 4.014 0.019 4.938 1.00 0.00 O ATOM 57 CB ILE A 4 5.398 -2.858 4.451 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.170 -3.130 5.336 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.500 -3.886 4.716 1.00 0.00 C ATOM 60 CD1 ILE A 4 3.664 -4.556 5.265 1.00 0.00 C ATOM 0 H ILE A 4 5.558 -1.478 6.747 1.00 0.00 H new ATOM 0 HA ILE A 4 6.849 -1.311 4.097 1.00 0.00 H new ATOM 0 HB ILE A 4 5.087 -2.949 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.421 -2.895 6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.366 -2.455 5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.108 -4.890 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.335 -3.707 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.843 -3.794 5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.797 -4.667 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.380 -4.790 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.451 -5.238 5.588 1.00 0.00 H new ATOM 72 N TYR A 5 5.049 0.054 2.941 1.00 0.00 N ATOM 73 CA TYR A 5 4.239 1.160 2.416 1.00 0.00 C ATOM 74 C TYR A 5 3.496 0.772 1.132 1.00 0.00 C ATOM 75 O TYR A 5 3.940 -0.087 0.374 1.00 0.00 O ATOM 76 CB TYR A 5 5.134 2.378 2.143 1.00 0.00 C ATOM 77 CG TYR A 5 5.810 2.938 3.384 1.00 0.00 C ATOM 78 CD1 TYR A 5 7.009 2.409 3.856 1.00 0.00 C ATOM 79 CD2 TYR A 5 5.244 3.996 4.083 1.00 0.00 C ATOM 80 CE1 TYR A 5 7.621 2.925 4.984 1.00 0.00 C ATOM 81 CE2 TYR A 5 5.850 4.514 5.211 1.00 0.00 C ATOM 82 CZ TYR A 5 7.035 3.976 5.657 1.00 0.00 C ATOM 83 OH TYR A 5 7.639 4.494 6.781 1.00 0.00 O ATOM 0 H TYR A 5 5.712 -0.336 2.272 1.00 0.00 H new ATOM 0 HA TYR A 5 3.492 1.405 3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.900 2.099 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.533 3.163 1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.468 1.583 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.313 4.422 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.553 2.507 5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.395 5.338 5.741 1.00 0.00 H new ATOM 0 HH TYR A 5 7.097 5.230 7.134 1.00 0.00 H new ATOM 93 N LYS A 6 2.359 1.417 0.896 1.00 0.00 N ATOM 94 CA LYS A 6 1.599 1.221 -0.340 1.00 0.00 C ATOM 95 C LYS A 6 0.882 2.517 -0.745 1.00 0.00 C ATOM 96 O LYS A 6 -0.094 2.927 -0.116 1.00 0.00 O ATOM 97 CB LYS A 6 0.592 0.077 -0.170 1.00 0.00 C ATOM 98 CG LYS A 6 -0.145 -0.297 -1.453 1.00 0.00 C ATOM 99 CD LYS A 6 -1.049 -1.508 -1.246 1.00 0.00 C ATOM 100 CE LYS A 6 -1.756 -1.921 -2.530 1.00 0.00 C ATOM 101 NZ LYS A 6 -0.798 -2.244 -3.621 1.00 0.00 N ATOM 0 H LYS A 6 1.939 2.083 1.545 1.00 0.00 H new ATOM 0 HA LYS A 6 2.295 0.954 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.116 -0.802 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.139 0.360 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.742 0.550 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.578 -0.512 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.456 -2.343 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.791 -1.279 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.385 -2.789 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.415 -1.116 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.268 -2.842 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.474 -1.364 -4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.019 -2.753 -3.226 1.00 0.00 H new ATOM 115 N ILE A 7 1.390 3.170 -1.785 1.00 0.00 N ATOM 116 CA ILE A 7 0.821 4.435 -2.265 1.00 0.00 C ATOM 117 C ILE A 7 -0.237 4.192 -3.353 1.00 0.00 C ATOM 118 O ILE A 7 -0.051 3.351 -4.235 1.00 0.00 O ATOM 119 CB ILE A 7 1.933 5.364 -2.823 1.00 0.00 C ATOM 120 CG1 ILE A 7 3.020 5.593 -1.755 1.00 0.00 C ATOM 121 CG2 ILE A 7 1.343 6.698 -3.293 1.00 0.00 C ATOM 122 CD1 ILE A 7 4.190 6.428 -2.234 1.00 0.00 C ATOM 0 H ILE A 7 2.198 2.847 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 7 0.343 4.920 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 7 2.390 4.878 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.569 6.081 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.392 4.626 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.140 7.332 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.611 6.515 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.857 7.197 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.911 6.543 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.669 5.932 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.833 7.410 -2.544 1.00 0.00 H new ATOM 134 N LEU A 8 -1.351 4.922 -3.281 1.00 0.00 N ATOM 135 CA LEU A 8 -2.423 4.805 -4.279 1.00 0.00 C ATOM 136 C LEU A 8 -3.242 6.102 -4.372 1.00 0.00 C ATOM 137 O LEU A 8 -3.062 7.026 -3.574 1.00 0.00 O ATOM 138 CB LEU A 8 -3.354 3.617 -3.949 1.00 0.00 C ATOM 139 CG LEU A 8 -4.300 3.802 -2.743 1.00 0.00 C ATOM 140 CD1 LEU A 8 -5.203 2.581 -2.575 1.00 0.00 C ATOM 141 CD2 LEU A 8 -3.521 4.071 -1.455 1.00 0.00 C ATOM 0 H LEU A 8 -1.537 5.601 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.952 4.625 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.960 3.403 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.735 2.738 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.923 4.674 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.862 2.731 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.802 2.445 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.590 1.695 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.219 4.196 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.859 3.230 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.929 4.979 -1.571 1.00 0.00 H new ATOM 153 N SER A 9 -4.141 6.164 -5.348 1.00 0.00 N ATOM 154 CA SER A 9 -5.001 7.340 -5.532 1.00 0.00 C ATOM 155 C SER A 9 -6.133 7.375 -4.495 1.00 0.00 C ATOM 156 O SER A 9 -6.650 6.334 -4.082 1.00 0.00 O ATOM 157 CB SER A 9 -5.593 7.364 -6.949 1.00 0.00 C ATOM 158 OG SER A 9 -6.492 6.282 -7.162 1.00 0.00 O ATOM 0 H SER A 9 -4.297 5.418 -6.026 1.00 0.00 H new ATOM 0 HA SER A 9 -4.379 8.224 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.115 8.308 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.787 7.317 -7.681 1.00 0.00 H new ATOM 0 HG SER A 9 -6.042 5.580 -7.677 1.00 0.00 H new ATOM 164 N ARG A 10 -6.518 8.584 -4.086 1.00 0.00 N ATOM 165 CA ARG A 10 -7.578 8.781 -3.088 1.00 0.00 C ATOM 166 C ARG A 10 -8.859 8.013 -3.464 1.00 0.00 C ATOM 167 O ARG A 10 -9.489 7.392 -2.613 1.00 0.00 O ATOM 168 CB ARG A 10 -7.881 10.289 -2.932 1.00 0.00 C ATOM 169 CG ARG A 10 -7.766 10.818 -1.499 1.00 0.00 C ATOM 170 CD ARG A 10 -8.755 10.143 -0.553 1.00 0.00 C ATOM 171 NE ARG A 10 -8.701 10.697 0.800 1.00 0.00 N ATOM 172 CZ ARG A 10 -9.648 10.545 1.688 1.00 0.00 C ATOM 173 NH1 ARG A 10 -10.713 9.866 1.405 1.00 0.00 N ATOM 174 NH2 ARG A 10 -9.525 11.071 2.864 1.00 0.00 N ATOM 0 H ARG A 10 -6.109 9.452 -4.433 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.224 8.385 -2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.198 10.851 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.890 10.483 -3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.751 10.658 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.940 11.894 -1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.765 10.254 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.544 9.074 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.875 11.234 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.819 9.444 0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.447 9.753 2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.688 11.605 3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.265 10.952 3.556 1.00 0.00 H new ATOM 188 N ALA A 11 -9.220 8.048 -4.747 1.00 0.00 N ATOM 189 CA ALA A 11 -10.424 7.367 -5.238 1.00 0.00 C ATOM 190 C ALA A 11 -10.380 5.852 -4.974 1.00 0.00 C ATOM 191 O ALA A 11 -11.321 5.285 -4.413 1.00 0.00 O ATOM 192 CB ALA A 11 -10.606 7.643 -6.725 1.00 0.00 C ATOM 0 H ALA A 11 -8.696 8.542 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.277 7.764 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.501 7.134 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.709 8.716 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.738 7.276 -7.272 1.00 0.00 H new ATOM 198 N GLU A 12 -9.283 5.203 -5.369 1.00 0.00 N ATOM 199 CA GLU A 12 -9.131 3.755 -5.171 1.00 0.00 C ATOM 200 C GLU A 12 -9.054 3.399 -3.675 1.00 0.00 C ATOM 201 O GLU A 12 -9.474 2.316 -3.256 1.00 0.00 O ATOM 202 CB GLU A 12 -7.890 3.243 -5.926 1.00 0.00 C ATOM 203 CG GLU A 12 -7.998 3.406 -7.442 1.00 0.00 C ATOM 204 CD GLU A 12 -6.769 2.910 -8.197 1.00 0.00 C ATOM 205 OE1 GLU A 12 -6.632 1.681 -8.382 1.00 0.00 O ATOM 206 OE2 GLU A 12 -5.944 3.751 -8.621 1.00 0.00 O ATOM 0 H GLU A 12 -8.489 5.652 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.013 3.260 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.010 3.779 -5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.738 2.190 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.875 2.864 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.158 4.459 -7.676 1.00 0.00 H new ATOM 213 N TRP A 13 -8.536 4.325 -2.871 1.00 0.00 N ATOM 214 CA TRP A 13 -8.490 4.148 -1.417 1.00 0.00 C ATOM 215 C TRP A 13 -9.903 4.231 -0.801 1.00 0.00 C ATOM 216 O TRP A 13 -10.273 3.411 0.044 1.00 0.00 O ATOM 217 CB TRP A 13 -7.552 5.194 -0.799 1.00 0.00 C ATOM 218 CG TRP A 13 -7.429 5.124 0.699 1.00 0.00 C ATOM 219 CD1 TRP A 13 -7.331 6.186 1.546 1.00 0.00 C ATOM 220 CD2 TRP A 13 -7.391 3.947 1.526 1.00 0.00 C ATOM 221 NE1 TRP A 13 -7.232 5.749 2.844 1.00 0.00 N ATOM 222 CE2 TRP A 13 -7.269 4.383 2.859 1.00 0.00 C ATOM 223 CE3 TRP A 13 -7.451 2.571 1.276 1.00 0.00 C ATOM 224 CZ2 TRP A 13 -7.205 3.500 3.930 1.00 0.00 C ATOM 225 CZ3 TRP A 13 -7.388 1.696 2.342 1.00 0.00 C ATOM 226 CH2 TRP A 13 -7.267 2.164 3.654 1.00 0.00 C ATOM 0 H TRP A 13 -8.142 5.206 -3.200 1.00 0.00 H new ATOM 0 HA TRP A 13 -8.100 3.154 -1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.561 5.076 -1.237 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.906 6.187 -1.074 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.331 7.222 1.241 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.145 6.348 3.665 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -7.545 2.200 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.110 3.858 4.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.433 0.632 2.160 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.222 1.454 4.466 1.00 0.00 H new ATOM 237 N ASP A 14 -10.693 5.215 -1.230 1.00 0.00 N ATOM 238 CA ASP A 14 -12.104 5.297 -0.835 1.00 0.00 C ATOM 239 C ASP A 14 -12.883 4.055 -1.301 1.00 0.00 C ATOM 240 O ASP A 14 -13.814 3.609 -0.628 1.00 0.00 O ATOM 241 CB ASP A 14 -12.755 6.566 -1.397 1.00 0.00 C ATOM 242 CG ASP A 14 -12.456 7.794 -0.556 1.00 0.00 C ATOM 243 OD1 ASP A 14 -13.145 7.996 0.468 1.00 0.00 O ATOM 244 OD2 ASP A 14 -11.549 8.570 -0.911 1.00 0.00 O ATOM 0 H ASP A 14 -10.384 5.965 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.139 5.338 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.401 6.732 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.834 6.422 -1.454 1.00 0.00 H new ATOM 249 N ALA A 15 -12.496 3.501 -2.453 1.00 0.00 N ATOM 250 CA ALA A 15 -13.101 2.261 -2.956 1.00 0.00 C ATOM 251 C ALA A 15 -12.907 1.113 -1.955 1.00 0.00 C ATOM 252 O ALA A 15 -13.817 0.313 -1.727 1.00 0.00 O ATOM 253 CB ALA A 15 -12.510 1.895 -4.315 1.00 0.00 C ATOM 0 H ALA A 15 -11.769 3.889 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.172 2.427 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.968 0.974 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.705 2.699 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.434 1.751 -4.217 1.00 0.00 H new ATOM 259 N ALA A 16 -11.713 1.041 -1.362 1.00 0.00 N ATOM 260 CA ALA A 16 -11.431 0.066 -0.299 1.00 0.00 C ATOM 261 C ALA A 16 -12.330 0.297 0.926 1.00 0.00 C ATOM 262 O ALA A 16 -12.943 -0.636 1.441 1.00 0.00 O ATOM 263 CB ALA A 16 -9.963 0.128 0.104 1.00 0.00 C ATOM 0 H ALA A 16 -10.925 1.644 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.648 -0.927 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.771 -0.600 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.339 -0.099 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.728 1.128 0.469 1.00 0.00 H new ATOM 269 N LYS A 17 -12.412 1.550 1.383 1.00 0.00 N ATOM 270 CA LYS A 17 -13.283 1.906 2.516 1.00 0.00 C ATOM 271 C LYS A 17 -14.753 1.551 2.222 1.00 0.00 C ATOM 272 O LYS A 17 -15.490 1.113 3.106 1.00 0.00 O ATOM 273 CB LYS A 17 -13.164 3.405 2.840 1.00 0.00 C ATOM 274 CG LYS A 17 -11.752 3.855 3.213 1.00 0.00 C ATOM 275 CD LYS A 17 -11.722 5.323 3.636 1.00 0.00 C ATOM 276 CE LYS A 17 -10.304 5.812 3.909 1.00 0.00 C ATOM 277 NZ LYS A 17 -10.280 7.231 4.358 1.00 0.00 N ATOM 0 H LYS A 17 -11.890 2.334 0.991 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.954 1.327 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.500 3.980 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.838 3.642 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.374 3.234 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.086 3.707 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.172 5.935 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.329 5.454 4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.844 5.183 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.704 5.708 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.297 7.523 4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.695 7.836 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.831 7.327 5.235 1.00 0.00 H new ATOM 291 N ALA A 18 -15.166 1.739 0.970 1.00 0.00 N ATOM 292 CA ALA A 18 -16.527 1.406 0.538 1.00 0.00 C ATOM 293 C ALA A 18 -16.814 -0.097 0.674 1.00 0.00 C ATOM 294 O ALA A 18 -17.795 -0.501 1.300 1.00 0.00 O ATOM 295 CB ALA A 18 -16.739 1.861 -0.901 1.00 0.00 C ATOM 0 H ALA A 18 -14.576 2.122 0.232 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.226 1.931 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.752 1.611 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -16.594 2.939 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.022 1.359 -1.551 1.00 0.00 H new ATOM 301 N GLN A 19 -15.944 -0.923 0.097 1.00 0.00 N ATOM 302 CA GLN A 19 -16.102 -2.382 0.161 1.00 0.00 C ATOM 303 C GLN A 19 -15.677 -2.944 1.529 1.00 0.00 C ATOM 304 O GLN A 19 -15.909 -4.119 1.825 1.00 0.00 O ATOM 305 CB GLN A 19 -15.290 -3.054 -0.959 1.00 0.00 C ATOM 306 CG GLN A 19 -13.799 -2.734 -0.917 1.00 0.00 C ATOM 307 CD GLN A 19 -13.019 -3.380 -2.052 1.00 0.00 C ATOM 308 OE1 GLN A 19 -12.529 -4.498 -1.932 1.00 0.00 O ATOM 309 NE2 GLN A 19 -12.894 -2.681 -3.164 1.00 0.00 N ATOM 0 H GLN A 19 -15.122 -0.612 -0.420 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.160 -2.604 0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.422 -4.134 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.692 -2.742 -1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.664 -1.653 -0.960 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.388 -3.069 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.313 -1.754 -3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.378 -3.068 -3.954 1.00 0.00 H new ATOM 318 N GLY A 20 -15.044 -2.109 2.353 1.00 0.00 N ATOM 319 CA GLY A 20 -14.584 -2.540 3.674 1.00 0.00 C ATOM 320 C GLY A 20 -13.254 -3.289 3.619 1.00 0.00 C ATOM 321 O GLY A 20 -12.352 -3.054 4.425 1.00 0.00 O ATOM 0 H GLY A 20 -14.839 -1.135 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.479 -1.668 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.340 -3.182 4.126 1.00 0.00 H new ATOM 325 N ARG A 21 -13.144 -4.207 2.670 1.00 0.00 N ATOM 326 CA ARG A 21 -11.906 -4.947 2.434 1.00 0.00 C ATOM 327 C ARG A 21 -11.058 -4.277 1.346 1.00 0.00 C ATOM 328 O ARG A 21 -11.362 -3.180 0.880 1.00 0.00 O ATOM 329 CB ARG A 21 -12.219 -6.398 2.029 1.00 0.00 C ATOM 330 CG ARG A 21 -12.780 -7.243 3.166 1.00 0.00 C ATOM 331 CD ARG A 21 -13.015 -8.689 2.738 1.00 0.00 C ATOM 332 NE ARG A 21 -14.234 -8.846 1.950 1.00 0.00 N ATOM 333 CZ ARG A 21 -14.307 -9.511 0.827 1.00 0.00 C ATOM 334 NH1 ARG A 21 -13.238 -9.954 0.245 1.00 0.00 N ATOM 335 NH2 ARG A 21 -15.453 -9.697 0.267 1.00 0.00 N ATOM 0 H ARG A 21 -13.906 -4.462 2.042 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.336 -4.947 3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.934 -6.390 1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.308 -6.866 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.089 -7.222 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.719 -6.810 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.162 -9.036 2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.074 -9.322 3.623 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.086 -8.407 2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.323 -9.786 0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.311 -10.471 -0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.299 -9.326 0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.514 -10.215 -0.609 1.00 0.00 H new ATOM 349 N PHE A 22 -9.977 -4.936 0.970 1.00 0.00 N ATOM 350 CA PHE A 22 -9.140 -4.493 -0.137 1.00 0.00 C ATOM 351 C PHE A 22 -8.663 -5.707 -0.937 1.00 0.00 C ATOM 352 O PHE A 22 -7.686 -6.366 -0.570 1.00 0.00 O ATOM 353 CB PHE A 22 -7.946 -3.675 0.381 1.00 0.00 C ATOM 354 CG PHE A 22 -7.092 -3.079 -0.711 1.00 0.00 C ATOM 355 CD1 PHE A 22 -7.568 -2.033 -1.490 1.00 0.00 C ATOM 356 CD2 PHE A 22 -5.816 -3.562 -0.956 1.00 0.00 C ATOM 357 CE1 PHE A 22 -6.788 -1.483 -2.488 1.00 0.00 C ATOM 358 CE2 PHE A 22 -5.033 -3.015 -1.953 1.00 0.00 C ATOM 359 CZ PHE A 22 -5.519 -1.975 -2.719 1.00 0.00 C ATOM 0 H PHE A 22 -9.653 -5.792 1.420 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.726 -3.848 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.317 -2.872 1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.324 -4.315 1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.560 -1.645 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.430 -4.376 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.170 -0.669 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.041 -3.401 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.907 -1.546 -3.499 1.00 0.00 H new ATOM 369 N GLU A 23 -9.399 -6.026 -1.997 1.00 0.00 N ATOM 370 CA GLU A 23 -9.052 -7.145 -2.881 1.00 0.00 C ATOM 371 C GLU A 23 -7.824 -6.804 -3.742 1.00 0.00 C ATOM 372 O GLU A 23 -7.144 -7.691 -4.261 1.00 0.00 O ATOM 373 CB GLU A 23 -10.248 -7.490 -3.785 1.00 0.00 C ATOM 374 CG GLU A 23 -11.565 -7.697 -3.033 1.00 0.00 C ATOM 375 CD GLU A 23 -11.542 -8.888 -2.085 1.00 0.00 C ATOM 376 OE1 GLU A 23 -11.101 -8.731 -0.927 1.00 0.00 O ATOM 377 OE2 GLU A 23 -11.985 -9.989 -2.495 1.00 0.00 O ATOM 0 H GLU A 23 -10.245 -5.525 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.807 -8.008 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.381 -6.690 -4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.016 -8.396 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.796 -6.795 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.369 -7.833 -3.756 1.00 0.00 H new ATOM 384 N GLY A 24 -7.555 -5.507 -3.890 1.00 0.00 N ATOM 385 CA GLY A 24 -6.410 -5.049 -4.667 1.00 0.00 C ATOM 386 C GLY A 24 -6.749 -3.897 -5.610 1.00 0.00 C ATOM 387 O GLY A 24 -7.899 -3.741 -6.029 1.00 0.00 O ATOM 0 H GLY A 24 -8.115 -4.758 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.619 -4.733 -3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.016 -5.883 -5.248 1.00 0.00 H new ATOM 391 N SER A 25 -5.753 -3.072 -5.921 1.00 0.00 N ATOM 392 CA SER A 25 -5.915 -1.996 -6.911 1.00 0.00 C ATOM 393 C SER A 25 -5.529 -2.499 -8.307 1.00 0.00 C ATOM 394 O SER A 25 -5.292 -3.693 -8.497 1.00 0.00 O ATOM 395 CB SER A 25 -5.058 -0.771 -6.539 1.00 0.00 C ATOM 396 OG SER A 25 -3.665 -1.042 -6.655 1.00 0.00 O ATOM 0 H SER A 25 -4.823 -3.123 -5.505 1.00 0.00 H new ATOM 0 HA SER A 25 -6.962 -1.694 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.320 0.066 -7.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.285 -0.466 -5.517 1.00 0.00 H new ATOM 0 HG SER A 25 -3.446 -1.853 -6.150 1.00 0.00 H new ATOM 402 N ALA A 26 -5.461 -1.590 -9.278 1.00 0.00 N ATOM 403 CA ALA A 26 -5.120 -1.949 -10.663 1.00 0.00 C ATOM 404 C ALA A 26 -3.876 -2.857 -10.746 1.00 0.00 C ATOM 405 O ALA A 26 -3.917 -3.938 -11.344 1.00 0.00 O ATOM 406 CB ALA A 26 -4.903 -0.684 -11.482 1.00 0.00 C ATOM 0 H ALA A 26 -5.637 -0.595 -9.136 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.957 -2.516 -11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.651 -0.953 -12.508 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.815 -0.087 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.088 -0.105 -11.048 1.00 0.00 H new ATOM 412 N VAL A 27 -2.778 -2.414 -10.134 1.00 0.00 N ATOM 413 CA VAL A 27 -1.515 -3.165 -10.154 1.00 0.00 C ATOM 414 C VAL A 27 -1.663 -4.564 -9.526 1.00 0.00 C ATOM 415 O VAL A 27 -1.342 -5.578 -10.154 1.00 0.00 O ATOM 416 CB VAL A 27 -0.397 -2.386 -9.412 1.00 0.00 C ATOM 417 CG1 VAL A 27 0.923 -3.159 -9.423 1.00 0.00 C ATOM 418 CG2 VAL A 27 -0.218 -0.996 -10.022 1.00 0.00 C ATOM 0 H VAL A 27 -2.734 -1.537 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.241 -3.287 -11.202 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.702 -2.271 -8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.685 -2.586 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.786 -4.121 -8.929 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.240 -3.322 -10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.570 -0.464 -9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.055 -1.092 -11.073 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.152 -0.439 -9.939 1.00 0.00 H new ATOM 428 N ASP A 28 -2.173 -4.605 -8.296 1.00 0.00 N ATOM 429 CA ASP A 28 -2.303 -5.857 -7.538 1.00 0.00 C ATOM 430 C ASP A 28 -3.160 -6.893 -8.291 1.00 0.00 C ATOM 431 O ASP A 28 -2.786 -8.064 -8.417 1.00 0.00 O ATOM 432 CB ASP A 28 -2.930 -5.568 -6.170 1.00 0.00 C ATOM 433 CG ASP A 28 -2.289 -4.380 -5.470 1.00 0.00 C ATOM 434 OD1 ASP A 28 -1.083 -4.431 -5.163 1.00 0.00 O ATOM 435 OD2 ASP A 28 -2.991 -3.382 -5.211 1.00 0.00 O ATOM 0 H ASP A 28 -2.506 -3.781 -7.797 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.305 -6.276 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.996 -5.378 -6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.836 -6.451 -5.538 1.00 0.00 H new ATOM 440 N LEU A 29 -4.314 -6.449 -8.791 1.00 0.00 N ATOM 441 CA LEU A 29 -5.221 -7.319 -9.547 1.00 0.00 C ATOM 442 C LEU A 29 -4.648 -7.673 -10.931 1.00 0.00 C ATOM 443 O LEU A 29 -5.121 -8.605 -11.587 1.00 0.00 O ATOM 444 CB LEU A 29 -6.595 -6.650 -9.706 1.00 0.00 C ATOM 445 CG LEU A 29 -7.364 -6.397 -8.396 1.00 0.00 C ATOM 446 CD1 LEU A 29 -8.694 -5.695 -8.674 1.00 0.00 C ATOM 447 CD2 LEU A 29 -7.588 -7.706 -7.637 1.00 0.00 C ATOM 0 H LEU A 29 -4.645 -5.490 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.333 -8.245 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.459 -5.697 -10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.211 -7.274 -10.354 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.760 -5.741 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.220 -5.527 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.506 -4.738 -9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.306 -6.319 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.133 -7.503 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.166 -8.392 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.625 -8.157 -7.398 1.00 0.00 H new ATOM 459 N ALA A 30 -3.651 -6.913 -11.384 1.00 0.00 N ATOM 460 CA ALA A 30 -2.975 -7.204 -12.652 1.00 0.00 C ATOM 461 C ALA A 30 -2.100 -8.466 -12.553 1.00 0.00 C ATOM 462 O ALA A 30 -2.272 -9.407 -13.330 1.00 0.00 O ATOM 463 CB ALA A 30 -2.142 -6.007 -13.103 1.00 0.00 C ATOM 0 H ALA A 30 -3.293 -6.093 -10.895 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.745 -7.396 -13.399 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.648 -6.242 -14.046 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.792 -5.142 -13.239 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.391 -5.781 -12.346 1.00 0.00 H new ATOM 469 N ASP A 31 -1.170 -8.496 -11.594 1.00 0.00 N ATOM 470 CA ASP A 31 -0.265 -9.649 -11.453 1.00 0.00 C ATOM 471 C ASP A 31 -0.941 -10.838 -10.741 1.00 0.00 C ATOM 472 O ASP A 31 -0.913 -11.966 -11.244 1.00 0.00 O ATOM 473 CB ASP A 31 1.029 -9.247 -10.734 1.00 0.00 C ATOM 474 CG ASP A 31 0.785 -8.686 -9.348 1.00 0.00 C ATOM 475 OD1 ASP A 31 0.760 -9.474 -8.378 1.00 0.00 O ATOM 476 OD2 ASP A 31 0.642 -7.457 -9.223 1.00 0.00 O ATOM 0 H ASP A 31 -1.022 -7.751 -10.913 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.012 -9.980 -12.460 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.682 -10.117 -10.658 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.556 -8.504 -11.333 1.00 0.00 H new ATOM 481 N GLY A 32 -1.543 -10.599 -9.576 1.00 0.00 N ATOM 482 CA GLY A 32 -2.221 -11.680 -8.860 1.00 0.00 C ATOM 483 C GLY A 32 -2.365 -11.453 -7.355 1.00 0.00 C ATOM 484 O GLY A 32 -3.357 -11.883 -6.754 1.00 0.00 O ATOM 0 H GLY A 32 -1.576 -9.689 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.213 -11.817 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.672 -12.607 -9.024 1.00 0.00 H new ATOM 488 N PHE A 33 -1.380 -10.800 -6.734 1.00 0.00 N ATOM 489 CA PHE A 33 -1.407 -10.550 -5.282 1.00 0.00 C ATOM 490 C PHE A 33 -1.103 -9.084 -4.947 1.00 0.00 C ATOM 491 O PHE A 33 -0.459 -8.374 -5.715 1.00 0.00 O ATOM 492 CB PHE A 33 -0.412 -11.460 -4.542 1.00 0.00 C ATOM 493 CG PHE A 33 -0.788 -12.920 -4.542 1.00 0.00 C ATOM 494 CD1 PHE A 33 -1.907 -13.361 -3.845 1.00 0.00 C ATOM 495 CD2 PHE A 33 -0.020 -13.854 -5.223 1.00 0.00 C ATOM 496 CE1 PHE A 33 -2.249 -14.699 -3.830 1.00 0.00 C ATOM 497 CE2 PHE A 33 -0.358 -15.194 -5.207 1.00 0.00 C ATOM 498 CZ PHE A 33 -1.473 -15.616 -4.510 1.00 0.00 C ATOM 0 H PHE A 33 -0.554 -10.434 -7.208 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.419 -10.778 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.572 -11.350 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.324 -11.119 -3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.516 -12.649 -3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.852 -13.530 -5.772 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.123 -15.028 -3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.250 -15.911 -5.739 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.738 -16.663 -4.497 1.00 0.00 H new ATOM 508 N ILE A 34 -1.552 -8.651 -3.772 1.00 0.00 N ATOM 509 CA ILE A 34 -1.373 -7.267 -3.331 1.00 0.00 C ATOM 510 C ILE A 34 0.094 -6.956 -2.992 1.00 0.00 C ATOM 511 O ILE A 34 0.675 -7.518 -2.059 1.00 0.00 O ATOM 512 CB ILE A 34 -2.280 -6.957 -2.115 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.756 -7.181 -2.497 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.055 -5.528 -1.614 1.00 0.00 C ATOM 515 CD1 ILE A 34 -4.730 -6.940 -1.365 1.00 0.00 C ATOM 0 H ILE A 34 -2.046 -9.242 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.664 -6.626 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.021 -7.634 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.010 -6.521 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.877 -8.204 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.704 -5.336 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.014 -5.407 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.286 -4.822 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.747 -7.119 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.506 -7.618 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.641 -5.909 -1.021 1.00 0.00 H new ATOM 527 N HIS A 35 0.688 -6.061 -3.777 1.00 0.00 N ATOM 528 CA HIS A 35 2.075 -5.637 -3.581 1.00 0.00 C ATOM 529 C HIS A 35 2.196 -4.566 -2.487 1.00 0.00 C ATOM 530 O HIS A 35 1.539 -3.522 -2.542 1.00 0.00 O ATOM 531 CB HIS A 35 2.655 -5.100 -4.898 1.00 0.00 C ATOM 532 CG HIS A 35 2.803 -6.144 -5.960 1.00 0.00 C ATOM 533 ND1 HIS A 35 3.495 -5.931 -7.127 1.00 0.00 N ATOM 534 CD2 HIS A 35 2.358 -7.420 -6.020 1.00 0.00 C ATOM 535 CE1 HIS A 35 3.468 -7.024 -7.858 1.00 0.00 C ATOM 536 NE2 HIS A 35 2.785 -7.946 -7.209 1.00 0.00 N ATOM 0 H HIS A 35 0.225 -5.609 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 35 2.642 -6.511 -3.259 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.010 -4.304 -5.271 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.630 -4.654 -4.700 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.774 -7.930 -5.268 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.928 -7.146 -8.827 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.605 -8.894 -7.538 1.00 0.00 H new ATOM 545 N LEU A 36 3.035 -4.847 -1.494 1.00 0.00 N ATOM 546 CA LEU A 36 3.365 -3.885 -0.443 1.00 0.00 C ATOM 547 C LEU A 36 4.820 -3.413 -0.610 1.00 0.00 C ATOM 548 O LEU A 36 5.761 -4.185 -0.429 1.00 0.00 O ATOM 549 CB LEU A 36 3.149 -4.526 0.937 1.00 0.00 C ATOM 550 CG LEU A 36 1.714 -5.021 1.202 1.00 0.00 C ATOM 551 CD1 LEU A 36 1.627 -5.764 2.532 1.00 0.00 C ATOM 552 CD2 LEU A 36 0.728 -3.853 1.170 1.00 0.00 C ATOM 0 H LEU A 36 3.506 -5.746 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 36 2.710 -3.017 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.834 -5.367 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.416 -3.800 1.705 1.00 0.00 H new ATOM 0 HG LEU A 36 1.446 -5.720 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.603 -6.102 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.295 -6.625 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.921 -5.096 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.280 -4.222 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.998 -3.127 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.761 -3.375 0.191 1.00 0.00 H new ATOM 564 N SER A 37 4.994 -2.149 -0.978 1.00 0.00 N ATOM 565 CA SER A 37 6.322 -1.607 -1.298 1.00 0.00 C ATOM 566 C SER A 37 7.137 -1.298 -0.030 1.00 0.00 C ATOM 567 O SER A 37 6.878 -0.321 0.675 1.00 0.00 O ATOM 568 CB SER A 37 6.182 -0.345 -2.156 1.00 0.00 C ATOM 569 OG SER A 37 5.459 -0.605 -3.349 1.00 0.00 O ATOM 0 H SER A 37 4.234 -1.474 -1.064 1.00 0.00 H new ATOM 0 HA SER A 37 6.863 -2.369 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.674 0.431 -1.583 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.171 0.039 -2.405 1.00 0.00 H new ATOM 0 HG SER A 37 5.385 0.220 -3.873 1.00 0.00 H new ATOM 575 N ALA A 38 8.127 -2.142 0.252 1.00 0.00 N ATOM 576 CA ALA A 38 8.963 -1.996 1.451 1.00 0.00 C ATOM 577 C ALA A 38 9.964 -0.832 1.336 1.00 0.00 C ATOM 578 O ALA A 38 10.989 -0.948 0.657 1.00 0.00 O ATOM 579 CB ALA A 38 9.705 -3.297 1.728 1.00 0.00 C ATOM 0 H ALA A 38 8.374 -2.939 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 38 8.297 -1.765 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.323 -3.181 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.985 -4.100 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.339 -3.543 0.876 1.00 0.00 H new ATOM 585 N GLY A 39 9.639 0.292 1.984 1.00 0.00 N ATOM 586 CA GLY A 39 10.559 1.431 2.091 1.00 0.00 C ATOM 587 C GLY A 39 11.250 1.821 0.781 1.00 0.00 C ATOM 588 O GLY A 39 10.689 2.553 -0.034 1.00 0.00 O ATOM 0 H GLY A 39 8.741 0.438 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.006 2.293 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.322 1.196 2.832 1.00 0.00 H new ATOM 592 N GLU A 40 12.471 1.317 0.586 1.00 0.00 N ATOM 593 CA GLU A 40 13.276 1.616 -0.610 1.00 0.00 C ATOM 594 C GLU A 40 12.476 1.365 -1.902 1.00 0.00 C ATOM 595 O GLU A 40 12.497 2.171 -2.835 1.00 0.00 O ATOM 596 CB GLU A 40 14.549 0.752 -0.612 1.00 0.00 C ATOM 597 CG GLU A 40 15.329 0.799 0.705 1.00 0.00 C ATOM 598 CD GLU A 40 16.565 -0.094 0.705 1.00 0.00 C ATOM 599 OE1 GLU A 40 16.442 -1.295 0.375 1.00 0.00 O ATOM 600 OE2 GLU A 40 17.666 0.400 1.037 1.00 0.00 O ATOM 0 H GLU A 40 12.932 0.692 1.248 1.00 0.00 H new ATOM 0 HA GLU A 40 13.548 2.671 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.275 -0.281 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.200 1.082 -1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.632 1.827 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.671 0.497 1.520 1.00 0.00 H new ATOM 607 N GLN A 41 11.755 0.244 -1.929 1.00 0.00 N ATOM 608 CA GLN A 41 10.921 -0.125 -3.079 1.00 0.00 C ATOM 609 C GLN A 41 9.800 0.899 -3.302 1.00 0.00 C ATOM 610 O GLN A 41 9.447 1.217 -4.438 1.00 0.00 O ATOM 611 CB GLN A 41 10.309 -1.513 -2.856 1.00 0.00 C ATOM 612 CG GLN A 41 9.459 -2.013 -4.019 1.00 0.00 C ATOM 613 CD GLN A 41 8.727 -3.308 -3.702 1.00 0.00 C ATOM 614 OE1 GLN A 41 9.307 -4.140 -2.855 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 7.647 -3.566 -4.217 1.00 0.00 N flip ATOM 0 H GLN A 41 11.730 -0.430 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 41 11.556 -0.140 -3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.112 -2.227 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.695 -1.487 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.732 -1.247 -4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.097 -2.166 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.222 -2.906 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.172 -4.441 -3.995 1.00 0.00 H new ATOM 624 N ALA A 42 9.251 1.415 -2.203 1.00 0.00 N ATOM 625 CA ALA A 42 8.155 2.383 -2.262 1.00 0.00 C ATOM 626 C ALA A 42 8.569 3.660 -2.998 1.00 0.00 C ATOM 627 O ALA A 42 7.829 4.163 -3.841 1.00 0.00 O ATOM 628 CB ALA A 42 7.653 2.705 -0.856 1.00 0.00 C ATOM 0 H ALA A 42 9.549 1.178 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 42 7.341 1.931 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.838 3.426 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.295 1.792 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.467 3.127 -0.267 1.00 0.00 H new ATOM 634 N GLN A 43 9.759 4.174 -2.690 1.00 0.00 N ATOM 635 CA GLN A 43 10.266 5.372 -3.368 1.00 0.00 C ATOM 636 C GLN A 43 10.557 5.092 -4.851 1.00 0.00 C ATOM 637 O GLN A 43 10.325 5.948 -5.702 1.00 0.00 O ATOM 638 CB GLN A 43 11.520 5.914 -2.667 1.00 0.00 C ATOM 639 CG GLN A 43 12.127 7.134 -3.359 1.00 0.00 C ATOM 640 CD GLN A 43 13.143 7.862 -2.496 1.00 0.00 C ATOM 641 OE1 GLN A 43 14.326 7.541 -2.495 1.00 0.00 O ATOM 642 NE2 GLN A 43 12.691 8.867 -1.770 1.00 0.00 N ATOM 0 H GLN A 43 10.386 3.787 -1.984 1.00 0.00 H new ATOM 0 HA GLN A 43 9.488 6.133 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.267 6.177 -1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.269 5.124 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.606 6.818 -4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.329 7.825 -3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.700 9.108 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.332 9.403 -1.185 1.00 0.00 H new ATOM 651 N GLU A 44 11.057 3.894 -5.157 1.00 0.00 N ATOM 652 CA GLU A 44 11.282 3.489 -6.552 1.00 0.00 C ATOM 653 C GLU A 44 9.958 3.473 -7.337 1.00 0.00 C ATOM 654 O GLU A 44 9.819 4.150 -8.360 1.00 0.00 O ATOM 655 CB GLU A 44 11.949 2.103 -6.616 1.00 0.00 C ATOM 656 CG GLU A 44 12.177 1.595 -8.041 1.00 0.00 C ATOM 657 CD GLU A 44 12.777 0.197 -8.090 1.00 0.00 C ATOM 658 OE1 GLU A 44 12.086 -0.762 -7.685 1.00 0.00 O ATOM 659 OE2 GLU A 44 13.934 0.048 -8.547 1.00 0.00 O ATOM 0 H GLU A 44 11.313 3.189 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 44 11.949 4.220 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.907 2.146 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.328 1.386 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.227 1.595 -8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.838 2.286 -8.565 1.00 0.00 H new ATOM 666 N THR A 45 8.983 2.703 -6.849 1.00 0.00 N ATOM 667 CA THR A 45 7.650 2.654 -7.469 1.00 0.00 C ATOM 668 C THR A 45 7.008 4.048 -7.527 1.00 0.00 C ATOM 669 O THR A 45 6.354 4.404 -8.506 1.00 0.00 O ATOM 670 CB THR A 45 6.696 1.696 -6.710 1.00 0.00 C ATOM 671 OG1 THR A 45 7.253 0.374 -6.673 1.00 0.00 O ATOM 672 CG2 THR A 45 5.317 1.651 -7.368 1.00 0.00 C ATOM 0 H THR A 45 9.087 2.105 -6.029 1.00 0.00 H new ATOM 0 HA THR A 45 7.797 2.279 -8.482 1.00 0.00 H new ATOM 0 HB THR A 45 6.581 2.074 -5.694 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.971 0.340 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.671 0.971 -6.813 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.880 2.650 -7.366 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.415 1.300 -8.395 1.00 0.00 H new ATOM 680 N ALA A 46 7.208 4.836 -6.476 1.00 0.00 N ATOM 681 CA ALA A 46 6.661 6.193 -6.410 1.00 0.00 C ATOM 682 C ALA A 46 7.332 7.135 -7.423 1.00 0.00 C ATOM 683 O ALA A 46 6.669 7.965 -8.038 1.00 0.00 O ATOM 684 CB ALA A 46 6.798 6.745 -4.998 1.00 0.00 C ATOM 0 H ALA A 46 7.746 4.560 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 46 5.605 6.136 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.388 7.754 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.253 6.106 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.851 6.770 -4.718 1.00 0.00 H new ATOM 690 N ALA A 47 8.647 6.994 -7.598 1.00 0.00 N ATOM 691 CA ALA A 47 9.400 7.835 -8.539 1.00 0.00 C ATOM 692 C ALA A 47 9.142 7.427 -9.998 1.00 0.00 C ATOM 693 O ALA A 47 9.396 8.197 -10.923 1.00 0.00 O ATOM 694 CB ALA A 47 10.891 7.773 -8.223 1.00 0.00 C ATOM 0 H ALA A 47 9.215 6.307 -7.102 1.00 0.00 H new ATOM 0 HA ALA A 47 9.053 8.861 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.438 8.400 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.063 8.131 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.238 6.743 -8.308 1.00 0.00 H new ATOM 700 N LYS A 48 8.649 6.208 -10.194 1.00 0.00 N ATOM 701 CA LYS A 48 8.310 5.713 -11.531 1.00 0.00 C ATOM 702 C LYS A 48 6.830 5.965 -11.869 1.00 0.00 C ATOM 703 O LYS A 48 6.507 6.624 -12.856 1.00 0.00 O ATOM 704 CB LYS A 48 8.614 4.209 -11.621 1.00 0.00 C ATOM 705 CG LYS A 48 8.289 3.593 -12.979 1.00 0.00 C ATOM 706 CD LYS A 48 8.580 2.096 -13.006 1.00 0.00 C ATOM 707 CE LYS A 48 8.277 1.485 -14.368 1.00 0.00 C ATOM 708 NZ LYS A 48 9.096 2.100 -15.446 1.00 0.00 N ATOM 0 H LYS A 48 8.474 5.540 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 48 8.917 6.257 -12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.670 4.048 -11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.046 3.687 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.238 3.763 -13.213 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.873 4.091 -13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.627 1.925 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.984 1.596 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.467 0.412 -14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.219 1.615 -14.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.042 1.512 -16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.734 3.052 -15.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.086 2.167 -15.134 1.00 0.00 H new ATOM 722 N TRP A 49 5.939 5.434 -11.036 1.00 0.00 N ATOM 723 CA TRP A 49 4.494 5.498 -11.288 1.00 0.00 C ATOM 724 C TRP A 49 3.864 6.804 -10.771 1.00 0.00 C ATOM 725 O TRP A 49 3.232 7.543 -11.525 1.00 0.00 O ATOM 726 CB TRP A 49 3.797 4.302 -10.624 1.00 0.00 C ATOM 727 CG TRP A 49 4.282 2.966 -11.117 1.00 0.00 C ATOM 728 CD1 TRP A 49 5.412 2.306 -10.725 1.00 0.00 C ATOM 729 CD2 TRP A 49 3.648 2.128 -12.092 1.00 0.00 C ATOM 730 NE1 TRP A 49 5.515 1.110 -11.388 1.00 0.00 N ATOM 731 CE2 TRP A 49 4.447 0.978 -12.235 1.00 0.00 C ATOM 732 CE3 TRP A 49 2.481 2.237 -12.855 1.00 0.00 C ATOM 733 CZ2 TRP A 49 4.117 -0.054 -13.109 1.00 0.00 C ATOM 734 CZ3 TRP A 49 2.155 1.212 -13.724 1.00 0.00 C ATOM 735 CH2 TRP A 49 2.971 0.078 -13.845 1.00 0.00 C ATOM 0 H TRP A 49 6.190 4.951 -10.174 1.00 0.00 H new ATOM 0 HA TRP A 49 4.355 5.468 -12.369 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.948 4.358 -9.546 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.724 4.376 -10.799 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.122 2.673 -9.998 1.00 0.00 H new ATOM 0 HE1 TRP A 49 6.265 0.429 -11.270 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.846 3.106 -12.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 4.744 -0.929 -13.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 1.257 1.286 -14.319 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.690 -0.706 -14.532 1.00 0.00 H new ATOM 746 N PHE A 50 4.050 7.088 -9.481 1.00 0.00 N ATOM 747 CA PHE A 50 3.348 8.198 -8.812 1.00 0.00 C ATOM 748 C PHE A 50 4.155 9.511 -8.842 1.00 0.00 C ATOM 749 O PHE A 50 3.875 10.443 -8.083 1.00 0.00 O ATOM 750 CB PHE A 50 3.036 7.804 -7.360 1.00 0.00 C ATOM 751 CG PHE A 50 2.271 6.508 -7.244 1.00 0.00 C ATOM 752 CD1 PHE A 50 0.899 6.473 -7.460 1.00 0.00 C ATOM 753 CD2 PHE A 50 2.925 5.324 -6.928 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.199 5.286 -7.368 1.00 0.00 C ATOM 755 CE2 PHE A 50 2.228 4.136 -6.833 1.00 0.00 C ATOM 756 CZ PHE A 50 0.863 4.117 -7.052 1.00 0.00 C ATOM 0 H PHE A 50 4.681 6.567 -8.873 1.00 0.00 H new ATOM 0 HA PHE A 50 2.423 8.381 -9.359 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.970 7.717 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.460 8.601 -6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.374 7.385 -7.703 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.991 5.333 -6.755 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.867 5.272 -7.543 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.749 3.222 -6.588 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.316 3.189 -6.976 1.00 0.00 H new ATOM 766 N ARG A 51 5.138 9.585 -9.732 1.00 0.00 N ATOM 767 CA ARG A 51 5.998 10.765 -9.850 1.00 0.00 C ATOM 768 C ARG A 51 5.200 11.999 -10.311 1.00 0.00 C ATOM 769 O ARG A 51 4.703 12.047 -11.436 1.00 0.00 O ATOM 770 CB ARG A 51 7.156 10.455 -10.819 1.00 0.00 C ATOM 771 CG ARG A 51 8.188 11.575 -11.001 1.00 0.00 C ATOM 772 CD ARG A 51 7.751 12.614 -12.035 1.00 0.00 C ATOM 773 NE ARG A 51 7.293 11.986 -13.274 1.00 0.00 N ATOM 774 CZ ARG A 51 8.073 11.656 -14.270 1.00 0.00 C ATOM 775 NH1 ARG A 51 9.337 11.934 -14.240 1.00 0.00 N ATOM 776 NH2 ARG A 51 7.573 11.065 -15.306 1.00 0.00 N ATOM 0 H ARG A 51 5.363 8.838 -10.389 1.00 0.00 H new ATOM 0 HA ARG A 51 6.408 11.003 -8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.673 9.563 -10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.734 10.212 -11.794 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.356 12.069 -10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.140 11.141 -11.307 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.950 13.226 -11.620 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.583 13.283 -12.252 1.00 0.00 H new ATOM 0 HE ARG A 51 6.296 11.792 -13.367 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.734 12.415 -13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.936 11.672 -15.023 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.575 10.859 -15.343 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.177 10.805 -16.086 1.00 0.00 H new ATOM 790 N GLY A 52 5.088 12.992 -9.431 1.00 0.00 N ATOM 791 CA GLY A 52 4.408 14.238 -9.774 1.00 0.00 C ATOM 792 C GLY A 52 2.899 14.092 -9.989 1.00 0.00 C ATOM 793 O GLY A 52 2.292 14.884 -10.717 1.00 0.00 O ATOM 0 H GLY A 52 5.457 12.958 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.582 14.964 -8.980 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.855 14.645 -10.681 1.00 0.00 H new ATOM 797 N GLN A 53 2.287 13.088 -9.366 1.00 0.00 N ATOM 798 CA GLN A 53 0.834 12.891 -9.463 1.00 0.00 C ATOM 799 C GLN A 53 0.108 13.434 -8.219 1.00 0.00 C ATOM 800 O GLN A 53 0.725 13.678 -7.183 1.00 0.00 O ATOM 801 CB GLN A 53 0.500 11.404 -9.663 1.00 0.00 C ATOM 802 CG GLN A 53 1.059 10.815 -10.957 1.00 0.00 C ATOM 803 CD GLN A 53 0.556 9.405 -11.245 1.00 0.00 C ATOM 804 OE1 GLN A 53 0.273 8.641 -10.207 1.00 0.00 O flip ATOM 805 NE2 GLN A 53 0.416 9.003 -12.398 1.00 0.00 N flip ATOM 0 H GLN A 53 2.768 12.398 -8.789 1.00 0.00 H new ATOM 0 HA GLN A 53 0.485 13.451 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.891 10.837 -8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.583 11.280 -9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.791 11.466 -11.789 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.147 10.801 -10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.642 9.615 -13.182 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.074 8.058 -12.571 1.00 0.00 H new ATOM 814 N ALA A 54 -1.206 13.623 -8.334 1.00 0.00 N ATOM 815 CA ALA A 54 -2.021 14.153 -7.228 1.00 0.00 C ATOM 816 C ALA A 54 -2.941 13.076 -6.627 1.00 0.00 C ATOM 817 O ALA A 54 -3.016 11.955 -7.136 1.00 0.00 O ATOM 818 CB ALA A 54 -2.842 15.346 -7.711 1.00 0.00 C ATOM 0 H ALA A 54 -1.735 13.418 -9.182 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.342 14.477 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.442 15.732 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.172 16.128 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.499 15.031 -8.522 1.00 0.00 H new ATOM 824 N ASN A 55 -3.635 13.430 -5.535 1.00 0.00 N ATOM 825 CA ASN A 55 -4.563 12.513 -4.844 1.00 0.00 C ATOM 826 C ASN A 55 -3.840 11.278 -4.279 1.00 0.00 C ATOM 827 O ASN A 55 -4.452 10.231 -4.073 1.00 0.00 O ATOM 828 CB ASN A 55 -5.696 12.068 -5.785 1.00 0.00 C ATOM 829 CG ASN A 55 -6.568 13.225 -6.235 1.00 0.00 C ATOM 830 OD1 ASN A 55 -7.534 13.587 -5.569 1.00 0.00 O ATOM 831 ND2 ASN A 55 -6.250 13.802 -7.375 1.00 0.00 N ATOM 0 H ASN A 55 -3.572 14.353 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.989 13.066 -4.007 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.266 11.580 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.314 11.327 -5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.813 14.575 -7.730 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.441 13.476 -7.903 1.00 0.00 H new ATOM 838 N LEU A 56 -2.551 11.414 -3.991 1.00 0.00 N ATOM 839 CA LEU A 56 -1.734 10.276 -3.556 1.00 0.00 C ATOM 840 C LEU A 56 -1.768 10.075 -2.029 1.00 0.00 C ATOM 841 O LEU A 56 -1.242 10.892 -1.267 1.00 0.00 O ATOM 842 CB LEU A 56 -0.286 10.465 -4.028 1.00 0.00 C ATOM 843 CG LEU A 56 -0.108 10.620 -5.548 1.00 0.00 C ATOM 844 CD1 LEU A 56 1.367 10.796 -5.905 1.00 0.00 C ATOM 845 CD2 LEU A 56 -0.708 9.425 -6.288 1.00 0.00 C ATOM 0 H LEU A 56 -2.045 12.298 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.159 9.380 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.127 11.347 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.303 9.610 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.642 11.516 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.470 10.904 -6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.757 11.687 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.929 9.923 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.571 9.556 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.209 8.511 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.772 9.355 -6.064 1.00 0.00 H new ATOM 857 N VAL A 57 -2.392 8.982 -1.590 1.00 0.00 N ATOM 858 CA VAL A 57 -2.396 8.601 -0.173 1.00 0.00 C ATOM 859 C VAL A 57 -1.332 7.528 0.097 1.00 0.00 C ATOM 860 O VAL A 57 -1.186 6.571 -0.668 1.00 0.00 O ATOM 861 CB VAL A 57 -3.783 8.074 0.283 1.00 0.00 C ATOM 862 CG1 VAL A 57 -3.783 7.745 1.782 1.00 0.00 C ATOM 863 CG2 VAL A 57 -4.877 9.089 -0.049 1.00 0.00 C ATOM 0 H VAL A 57 -2.904 8.341 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.168 9.500 0.400 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.991 7.153 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.767 7.378 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.035 6.979 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.547 8.644 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.843 8.703 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.669 10.028 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.900 9.260 -1.125 1.00 0.00 H new ATOM 873 N LEU A 58 -0.588 7.697 1.181 1.00 0.00 N ATOM 874 CA LEU A 58 0.473 6.766 1.555 1.00 0.00 C ATOM 875 C LEU A 58 0.003 5.844 2.688 1.00 0.00 C ATOM 876 O LEU A 58 -0.147 6.272 3.836 1.00 0.00 O ATOM 877 CB LEU A 58 1.741 7.554 1.952 1.00 0.00 C ATOM 878 CG LEU A 58 2.933 6.723 2.480 1.00 0.00 C ATOM 879 CD1 LEU A 58 4.261 7.353 2.063 1.00 0.00 C ATOM 880 CD2 LEU A 58 2.875 6.593 4.005 1.00 0.00 C ATOM 0 H LEU A 58 -0.700 8.480 1.825 1.00 0.00 H new ATOM 0 HA LEU A 58 0.718 6.134 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.078 8.119 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.466 8.280 2.717 1.00 0.00 H new ATOM 0 HG LEU A 58 2.864 5.728 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.085 6.751 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.318 7.396 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.329 8.362 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.724 6.004 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.912 7.584 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.948 6.098 4.293 1.00 0.00 H new ATOM 892 N LEU A 59 -0.269 4.585 2.353 1.00 0.00 N ATOM 893 CA LEU A 59 -0.678 3.599 3.353 1.00 0.00 C ATOM 894 C LEU A 59 0.548 2.969 4.026 1.00 0.00 C ATOM 895 O LEU A 59 1.273 2.181 3.414 1.00 0.00 O ATOM 896 CB LEU A 59 -1.552 2.510 2.713 1.00 0.00 C ATOM 897 CG LEU A 59 -2.786 3.023 1.951 1.00 0.00 C ATOM 898 CD1 LEU A 59 -3.614 1.857 1.416 1.00 0.00 C ATOM 899 CD2 LEU A 59 -3.633 3.936 2.838 1.00 0.00 C ATOM 0 H LEU A 59 -0.214 4.223 1.401 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.265 4.112 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.936 1.930 2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.886 1.828 3.495 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.441 3.610 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.482 2.242 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.005 1.259 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.947 1.236 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.500 4.286 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.968 3.382 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.036 4.791 3.155 1.00 0.00 H new ATOM 911 N ALA A 60 0.786 3.341 5.277 1.00 0.00 N ATOM 912 CA ALA A 60 1.914 2.811 6.043 1.00 0.00 C ATOM 913 C ALA A 60 1.441 1.751 7.042 1.00 0.00 C ATOM 914 O ALA A 60 0.640 2.033 7.934 1.00 0.00 O ATOM 915 CB ALA A 60 2.640 3.944 6.761 1.00 0.00 C ATOM 0 H ALA A 60 0.211 4.011 5.788 1.00 0.00 H new ATOM 0 HA ALA A 60 2.610 2.335 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.478 3.538 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.011 4.660 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.951 4.445 7.441 1.00 0.00 H new ATOM 921 N VAL A 61 1.919 0.526 6.881 1.00 0.00 N ATOM 922 CA VAL A 61 1.523 -0.568 7.766 1.00 0.00 C ATOM 923 C VAL A 61 2.723 -1.128 8.540 1.00 0.00 C ATOM 924 O VAL A 61 3.671 -1.654 7.951 1.00 0.00 O ATOM 925 CB VAL A 61 0.844 -1.719 6.975 1.00 0.00 C ATOM 926 CG1 VAL A 61 0.385 -2.835 7.915 1.00 0.00 C ATOM 927 CG2 VAL A 61 -0.327 -1.194 6.144 1.00 0.00 C ATOM 0 H VAL A 61 2.579 0.262 6.150 1.00 0.00 H new ATOM 0 HA VAL A 61 0.807 -0.152 8.475 1.00 0.00 H new ATOM 0 HB VAL A 61 1.584 -2.137 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.087 -3.628 7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.246 -3.238 8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.331 -2.435 8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.786 -2.019 5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.066 -0.739 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.035 -0.449 5.436 1.00 0.00 H new ATOM 937 N GLU A 62 2.692 -0.992 9.862 1.00 0.00 N ATOM 938 CA GLU A 62 3.654 -1.680 10.716 1.00 0.00 C ATOM 939 C GLU A 62 3.359 -3.186 10.691 1.00 0.00 C ATOM 940 O GLU A 62 2.487 -3.674 11.412 1.00 0.00 O ATOM 941 CB GLU A 62 3.611 -1.132 12.159 1.00 0.00 C ATOM 942 CG GLU A 62 4.220 0.267 12.325 1.00 0.00 C ATOM 943 CD GLU A 62 3.270 1.417 11.990 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.796 1.501 10.843 1.00 0.00 O ATOM 945 OE2 GLU A 62 3.027 2.268 12.878 1.00 0.00 O ATOM 0 H GLU A 62 2.016 -0.415 10.363 1.00 0.00 H new ATOM 0 HA GLU A 62 4.660 -1.503 10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.574 -1.105 12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.140 -1.825 12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.560 0.382 13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.101 0.343 11.688 1.00 0.00 H new ATOM 952 N ALA A 63 4.081 -3.899 9.820 1.00 0.00 N ATOM 953 CA ALA A 63 3.804 -5.311 9.497 1.00 0.00 C ATOM 954 C ALA A 63 3.465 -6.177 10.721 1.00 0.00 C ATOM 955 O ALA A 63 2.340 -6.668 10.842 1.00 0.00 O ATOM 956 CB ALA A 63 4.989 -5.911 8.744 1.00 0.00 C ATOM 0 H ALA A 63 4.879 -3.515 9.314 1.00 0.00 H new ATOM 0 HA ALA A 63 2.912 -5.312 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.779 -6.954 8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.152 -5.355 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.883 -5.852 9.366 1.00 0.00 H new ATOM 962 N GLU A 64 4.439 -6.360 11.619 1.00 0.00 N ATOM 963 CA GLU A 64 4.293 -7.280 12.760 1.00 0.00 C ATOM 964 C GLU A 64 4.153 -8.744 12.277 1.00 0.00 C ATOM 965 O GLU A 64 3.795 -8.997 11.124 1.00 0.00 O ATOM 966 CB GLU A 64 3.078 -6.884 13.628 1.00 0.00 C ATOM 967 CG GLU A 64 3.169 -5.490 14.246 1.00 0.00 C ATOM 968 CD GLU A 64 4.267 -5.372 15.291 1.00 0.00 C ATOM 969 OE1 GLU A 64 4.111 -5.952 16.386 1.00 0.00 O ATOM 970 OE2 GLU A 64 5.282 -4.692 15.034 1.00 0.00 O ATOM 0 H GLU A 64 5.340 -5.884 11.580 1.00 0.00 H new ATOM 0 HA GLU A 64 5.194 -7.205 13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.177 -6.939 13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.965 -7.616 14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.347 -4.760 13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.212 -5.238 14.703 1.00 0.00 H new ATOM 977 N PRO A 65 4.450 -9.736 13.138 1.00 0.00 N ATOM 978 CA PRO A 65 4.293 -11.163 12.782 1.00 0.00 C ATOM 979 C PRO A 65 2.816 -11.609 12.735 1.00 0.00 C ATOM 980 O PRO A 65 2.418 -12.552 13.419 1.00 0.00 O ATOM 981 CB PRO A 65 5.045 -11.878 13.913 1.00 0.00 C ATOM 982 CG PRO A 65 4.924 -10.957 15.079 1.00 0.00 C ATOM 983 CD PRO A 65 4.977 -9.562 14.508 1.00 0.00 C ATOM 0 HA PRO A 65 4.673 -11.384 11.785 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.606 -12.852 14.129 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.089 -12.050 13.649 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.990 -11.125 15.615 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.733 -11.119 15.791 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.370 -8.867 15.087 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.993 -9.168 14.501 1.00 0.00 H new ATOM 991 N LEU A 66 2.013 -10.941 11.905 1.00 0.00 N ATOM 992 CA LEU A 66 0.571 -11.223 11.817 1.00 0.00 C ATOM 993 C LEU A 66 0.258 -12.614 11.226 1.00 0.00 C ATOM 994 O LEU A 66 -0.763 -13.220 11.558 1.00 0.00 O ATOM 995 CB LEU A 66 -0.152 -10.110 11.027 1.00 0.00 C ATOM 996 CG LEU A 66 0.527 -9.616 9.726 1.00 0.00 C ATOM 997 CD1 LEU A 66 0.472 -10.665 8.618 1.00 0.00 C ATOM 998 CD2 LEU A 66 -0.112 -8.310 9.254 1.00 0.00 C ATOM 0 H LEU A 66 2.333 -10.200 11.282 1.00 0.00 H new ATOM 0 HA LEU A 66 0.193 -11.236 12.839 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.150 -10.468 10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.280 -9.253 11.689 1.00 0.00 H new ATOM 0 HG LEU A 66 1.578 -9.437 9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.960 -10.276 7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.985 -11.569 8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.568 -10.900 8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.376 -7.976 8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.172 -8.473 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.004 -7.549 10.025 1.00 0.00 H new ATOM 1010 N GLY A 67 1.134 -13.127 10.364 1.00 0.00 N ATOM 1011 CA GLY A 67 0.893 -14.433 9.754 1.00 0.00 C ATOM 1012 C GLY A 67 1.945 -14.834 8.727 1.00 0.00 C ATOM 1013 O GLY A 67 2.589 -13.980 8.111 1.00 0.00 O ATOM 0 H GLY A 67 1.999 -12.670 10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.857 -15.189 10.538 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.086 -14.425 9.274 1.00 0.00 H new ATOM 1017 N GLU A 68 2.111 -16.144 8.537 1.00 0.00 N ATOM 1018 CA GLU A 68 3.059 -16.689 7.563 1.00 0.00 C ATOM 1019 C GLU A 68 2.680 -16.291 6.126 1.00 0.00 C ATOM 1020 O GLU A 68 3.526 -16.260 5.229 1.00 0.00 O ATOM 1021 CB GLU A 68 3.084 -18.213 7.686 1.00 0.00 C ATOM 1022 CG GLU A 68 1.780 -18.882 7.254 1.00 0.00 C ATOM 1023 CD GLU A 68 1.776 -20.382 7.487 1.00 0.00 C ATOM 1024 OE1 GLU A 68 2.436 -21.109 6.717 1.00 0.00 O ATOM 1025 OE2 GLU A 68 1.108 -20.840 8.439 1.00 0.00 O ATOM 0 H GLU A 68 1.593 -16.856 9.053 1.00 0.00 H new ATOM 0 HA GLU A 68 4.046 -16.278 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.902 -18.605 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.296 -18.482 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.950 -18.433 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.610 -18.684 6.196 1.00 0.00 H new ATOM 1032 N ASP A 69 1.397 -15.992 5.926 1.00 0.00 N ATOM 1033 CA ASP A 69 0.874 -15.569 4.621 1.00 0.00 C ATOM 1034 C ASP A 69 1.447 -14.208 4.180 1.00 0.00 C ATOM 1035 O ASP A 69 1.243 -13.773 3.044 1.00 0.00 O ATOM 1036 CB ASP A 69 -0.660 -15.542 4.663 1.00 0.00 C ATOM 1037 CG ASP A 69 -1.197 -14.906 5.936 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -1.122 -15.550 7.003 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -1.692 -13.769 5.879 1.00 0.00 O ATOM 0 H ASP A 69 0.690 -16.035 6.660 1.00 0.00 H new ATOM 0 HA ASP A 69 1.196 -16.295 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.034 -14.991 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.040 -16.560 4.581 1.00 0.00 H new ATOM 1044 N LEU A 70 2.148 -13.534 5.091 1.00 0.00 N ATOM 1045 CA LEU A 70 2.957 -12.362 4.741 1.00 0.00 C ATOM 1046 C LEU A 70 4.426 -12.774 4.584 1.00 0.00 C ATOM 1047 O LEU A 70 5.138 -12.957 5.574 1.00 0.00 O ATOM 1048 CB LEU A 70 2.843 -11.274 5.817 1.00 0.00 C ATOM 1049 CG LEU A 70 3.701 -10.017 5.569 1.00 0.00 C ATOM 1050 CD1 LEU A 70 3.210 -9.248 4.346 1.00 0.00 C ATOM 1051 CD2 LEU A 70 3.726 -9.122 6.805 1.00 0.00 C ATOM 0 H LEU A 70 2.173 -13.779 6.081 1.00 0.00 H new ATOM 0 HA LEU A 70 2.584 -11.959 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.799 -10.972 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.125 -11.704 6.778 1.00 0.00 H new ATOM 0 HG LEU A 70 4.722 -10.343 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.834 -8.367 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.268 -9.888 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.176 -8.939 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.338 -8.242 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.710 -8.810 7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.148 -9.674 7.645 1.00 0.00 H new ATOM 1063 N LYS A 71 4.877 -12.937 3.346 1.00 0.00 N ATOM 1064 CA LYS A 71 6.245 -13.401 3.090 1.00 0.00 C ATOM 1065 C LYS A 71 7.083 -12.347 2.358 1.00 0.00 C ATOM 1066 O LYS A 71 6.638 -11.750 1.373 1.00 0.00 O ATOM 1067 CB LYS A 71 6.233 -14.697 2.265 1.00 0.00 C ATOM 1068 CG LYS A 71 7.616 -15.336 2.125 1.00 0.00 C ATOM 1069 CD LYS A 71 7.632 -16.481 1.115 1.00 0.00 C ATOM 1070 CE LYS A 71 7.373 -15.987 -0.303 1.00 0.00 C ATOM 1071 NZ LYS A 71 7.565 -17.059 -1.313 1.00 0.00 N ATOM 0 H LYS A 71 4.325 -12.758 2.507 1.00 0.00 H new ATOM 0 HA LYS A 71 6.701 -13.587 4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.556 -15.411 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.836 -14.484 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.335 -14.576 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.941 -15.708 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.597 -16.986 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.876 -17.217 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.355 -15.603 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.043 -15.156 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.614 -16.637 -2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.450 -17.568 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.766 -17.723 -1.270 1.00 0.00 H new ATOM 1085 N TRP A 72 8.299 -12.124 2.840 1.00 0.00 N ATOM 1086 CA TRP A 72 9.259 -11.270 2.144 1.00 0.00 C ATOM 1087 C TRP A 72 9.818 -11.994 0.910 1.00 0.00 C ATOM 1088 O TRP A 72 10.800 -12.737 0.992 1.00 0.00 O ATOM 1089 CB TRP A 72 10.389 -10.851 3.090 1.00 0.00 C ATOM 1090 CG TRP A 72 9.931 -9.932 4.184 1.00 0.00 C ATOM 1091 CD1 TRP A 72 9.396 -10.284 5.392 1.00 0.00 C ATOM 1092 CD2 TRP A 72 9.957 -8.502 4.159 1.00 0.00 C ATOM 1093 NE1 TRP A 72 9.101 -9.159 6.121 1.00 0.00 N ATOM 1094 CE2 TRP A 72 9.433 -8.052 5.384 1.00 0.00 C ATOM 1095 CE3 TRP A 72 10.377 -7.560 3.218 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.317 -6.699 5.692 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 10.262 -6.219 3.522 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.737 -5.798 4.750 1.00 0.00 C ATOM 0 H TRP A 72 8.647 -12.523 3.712 1.00 0.00 H new ATOM 0 HA TRP A 72 8.747 -10.368 1.809 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.832 -11.742 3.534 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.173 -10.359 2.514 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.230 -11.298 5.724 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.700 -9.148 7.059 1.00 0.00 H new ATOM 0 HE3 TRP A 72 10.785 -7.875 2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.911 -6.372 6.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.582 -5.482 2.801 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.662 -4.741 4.959 1.00 0.00 H new ATOM 1109 N GLU A 73 9.159 -11.787 -0.224 1.00 0.00 N ATOM 1110 CA GLU A 73 9.486 -12.489 -1.467 1.00 0.00 C ATOM 1111 C GLU A 73 10.708 -11.881 -2.172 1.00 0.00 C ATOM 1112 O GLU A 73 10.902 -10.667 -2.174 1.00 0.00 O ATOM 1113 CB GLU A 73 8.276 -12.455 -2.414 1.00 0.00 C ATOM 1114 CG GLU A 73 8.484 -13.204 -3.727 1.00 0.00 C ATOM 1115 CD GLU A 73 8.658 -14.701 -3.528 1.00 0.00 C ATOM 1116 OE1 GLU A 73 9.802 -15.155 -3.330 1.00 0.00 O ATOM 1117 OE2 GLU A 73 7.643 -15.428 -3.556 1.00 0.00 O ATOM 0 H GLU A 73 8.384 -11.130 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 73 9.733 -13.518 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.415 -12.881 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.033 -11.416 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.631 -13.025 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.363 -12.804 -4.233 1.00 0.00 H new ATOM 1124 N ALA A 74 11.523 -12.741 -2.772 1.00 0.00 N ATOM 1125 CA ALA A 74 12.664 -12.303 -3.579 1.00 0.00 C ATOM 1126 C ALA A 74 12.468 -12.706 -5.048 1.00 0.00 C ATOM 1127 O ALA A 74 12.817 -13.818 -5.456 1.00 0.00 O ATOM 1128 CB ALA A 74 13.965 -12.880 -3.025 1.00 0.00 C ATOM 0 H ALA A 74 11.416 -13.754 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 74 12.727 -11.216 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.802 -12.544 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.106 -12.540 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.917 -13.969 -3.043 1.00 0.00 H new ATOM 1134 N SER A 75 11.878 -11.804 -5.830 1.00 0.00 N ATOM 1135 CA SER A 75 11.582 -12.071 -7.246 1.00 0.00 C ATOM 1136 C SER A 75 12.860 -12.140 -8.094 1.00 0.00 C ATOM 1137 O SER A 75 13.946 -11.777 -7.637 1.00 0.00 O ATOM 1138 CB SER A 75 10.644 -10.992 -7.808 1.00 0.00 C ATOM 1139 OG SER A 75 9.418 -10.943 -7.089 1.00 0.00 O ATOM 0 H SER A 75 11.593 -10.878 -5.511 1.00 0.00 H new ATOM 0 HA SER A 75 11.092 -13.043 -7.297 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.135 -10.020 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.443 -11.195 -8.860 1.00 0.00 H new ATOM 0 HG SER A 75 9.502 -10.316 -6.341 1.00 0.00 H new ATOM 1145 N ARG A 76 12.722 -12.611 -9.334 1.00 0.00 N ATOM 1146 CA ARG A 76 13.860 -12.717 -10.257 1.00 0.00 C ATOM 1147 C ARG A 76 14.530 -11.348 -10.481 1.00 0.00 C ATOM 1148 O ARG A 76 14.080 -10.546 -11.301 1.00 0.00 O ATOM 1149 CB ARG A 76 13.396 -13.322 -11.593 1.00 0.00 C ATOM 1150 CG ARG A 76 14.516 -13.583 -12.603 1.00 0.00 C ATOM 1151 CD ARG A 76 15.616 -14.480 -12.032 1.00 0.00 C ATOM 1152 NE ARG A 76 15.077 -15.638 -11.318 1.00 0.00 N ATOM 1153 CZ ARG A 76 15.121 -16.870 -11.747 1.00 0.00 C ATOM 1154 NH1 ARG A 76 15.654 -17.162 -12.893 1.00 0.00 N ATOM 1155 NH2 ARG A 76 14.631 -17.818 -11.015 1.00 0.00 N ATOM 0 H ARG A 76 11.834 -12.926 -9.725 1.00 0.00 H new ATOM 0 HA ARG A 76 14.604 -13.376 -9.809 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.882 -14.262 -11.391 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.667 -12.650 -12.046 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.097 -14.049 -13.495 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.950 -12.633 -12.914 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.258 -14.823 -12.843 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.241 -13.898 -11.355 1.00 0.00 H new ATOM 0 HE ARG A 76 14.633 -15.469 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.048 -16.423 -13.475 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.679 -18.131 -13.212 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.214 -17.600 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.662 -18.783 -11.343 1.00 0.00 H new ATOM 1169 N GLY A 77 15.590 -11.085 -9.717 1.00 0.00 N ATOM 1170 CA GLY A 77 16.308 -9.816 -9.808 1.00 0.00 C ATOM 1171 C GLY A 77 16.999 -9.448 -8.497 1.00 0.00 C ATOM 1172 O GLY A 77 18.223 -9.547 -8.379 1.00 0.00 O ATOM 0 H GLY A 77 15.970 -11.735 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.051 -9.877 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.611 -9.025 -10.083 1.00 0.00 H new ATOM 1176 N GLY A 78 16.213 -9.039 -7.506 1.00 0.00 N ATOM 1177 CA GLY A 78 16.760 -8.682 -6.200 1.00 0.00 C ATOM 1178 C GLY A 78 15.748 -7.976 -5.302 1.00 0.00 C ATOM 1179 O GLY A 78 14.539 -8.105 -5.502 1.00 0.00 O ATOM 0 H GLY A 78 15.200 -8.947 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.113 -9.585 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.627 -8.036 -6.340 1.00 0.00 H new ATOM 1183 N ALA A 79 16.250 -7.232 -4.311 1.00 0.00 N ATOM 1184 CA ALA A 79 15.404 -6.495 -3.361 1.00 0.00 C ATOM 1185 C ALA A 79 14.506 -7.427 -2.526 1.00 0.00 C ATOM 1186 O ALA A 79 14.639 -8.651 -2.570 1.00 0.00 O ATOM 1187 CB ALA A 79 14.566 -5.448 -4.094 1.00 0.00 C ATOM 0 H ALA A 79 17.250 -7.123 -4.143 1.00 0.00 H new ATOM 0 HA ALA A 79 16.070 -5.990 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.945 -4.911 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 79 15.226 -4.744 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.928 -5.941 -4.828 1.00 0.00 H new ATOM 1193 N ARG A 80 13.611 -6.829 -1.743 1.00 0.00 N ATOM 1194 CA ARG A 80 12.661 -7.580 -0.914 1.00 0.00 C ATOM 1195 C ARG A 80 11.219 -7.119 -1.185 1.00 0.00 C ATOM 1196 O ARG A 80 10.917 -5.924 -1.133 1.00 0.00 O ATOM 1197 CB ARG A 80 13.000 -7.401 0.572 1.00 0.00 C ATOM 1198 CG ARG A 80 14.309 -8.066 0.994 1.00 0.00 C ATOM 1199 CD ARG A 80 14.689 -7.711 2.431 1.00 0.00 C ATOM 1200 NE ARG A 80 15.900 -8.406 2.873 1.00 0.00 N ATOM 1201 CZ ARG A 80 17.025 -7.811 3.172 1.00 0.00 C ATOM 1202 NH1 ARG A 80 17.158 -6.532 3.020 1.00 0.00 N ATOM 1203 NH2 ARG A 80 18.032 -8.496 3.607 1.00 0.00 N ATOM 0 H ARG A 80 13.521 -5.816 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 80 12.740 -8.636 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.057 -6.336 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.187 -7.810 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 80 14.214 -9.148 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.108 -7.756 0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 80 14.842 -6.635 2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 80 13.864 -7.965 3.096 1.00 0.00 H new ATOM 0 HE ARG A 80 15.863 -9.422 2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 80 16.380 -5.977 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 80 18.041 -6.079 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 80 17.951 -9.507 3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 80 18.907 -8.026 3.838 1.00 0.00 H new ATOM 1217 N PHE A 81 10.334 -8.073 -1.474 1.00 0.00 N ATOM 1218 CA PHE A 81 8.933 -7.772 -1.799 1.00 0.00 C ATOM 1219 C PHE A 81 7.963 -8.476 -0.831 1.00 0.00 C ATOM 1220 O PHE A 81 7.609 -9.640 -1.034 1.00 0.00 O ATOM 1221 CB PHE A 81 8.612 -8.215 -3.238 1.00 0.00 C ATOM 1222 CG PHE A 81 9.584 -7.713 -4.279 1.00 0.00 C ATOM 1223 CD1 PHE A 81 9.412 -6.471 -4.873 1.00 0.00 C ATOM 1224 CD2 PHE A 81 10.667 -8.491 -4.669 1.00 0.00 C ATOM 1225 CE1 PHE A 81 10.299 -6.014 -5.829 1.00 0.00 C ATOM 1226 CE2 PHE A 81 11.556 -8.037 -5.623 1.00 0.00 C ATOM 1227 CZ PHE A 81 11.371 -6.798 -6.204 1.00 0.00 C ATOM 0 H PHE A 81 10.561 -9.067 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 81 8.802 -6.694 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.592 -9.304 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.611 -7.869 -3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.574 -5.854 -4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.815 -9.462 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.153 -5.045 -6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.396 -8.651 -5.915 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.065 -6.443 -6.951 1.00 0.00 H new ATOM 1237 N PRO A 82 7.520 -7.792 0.240 1.00 0.00 N ATOM 1238 CA PRO A 82 6.564 -8.373 1.196 1.00 0.00 C ATOM 1239 C PRO A 82 5.178 -8.602 0.567 1.00 0.00 C ATOM 1240 O PRO A 82 4.409 -7.664 0.353 1.00 0.00 O ATOM 1241 CB PRO A 82 6.503 -7.332 2.325 1.00 0.00 C ATOM 1242 CG PRO A 82 6.921 -6.050 1.688 1.00 0.00 C ATOM 1243 CD PRO A 82 7.908 -6.418 0.607 1.00 0.00 C ATOM 0 HA PRO A 82 6.874 -9.359 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.498 -7.258 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.168 -7.600 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.062 -5.526 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.376 -5.382 2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.841 -5.741 -0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.935 -6.374 0.969 1.00 0.00 H new ATOM 1251 N HIS A 83 4.879 -9.857 0.237 1.00 0.00 N ATOM 1252 CA HIS A 83 3.600 -10.210 -0.385 1.00 0.00 C ATOM 1253 C HIS A 83 2.631 -10.815 0.637 1.00 0.00 C ATOM 1254 O HIS A 83 2.888 -11.885 1.191 1.00 0.00 O ATOM 1255 CB HIS A 83 3.815 -11.197 -1.541 1.00 0.00 C ATOM 1256 CG HIS A 83 4.606 -10.632 -2.683 1.00 0.00 C ATOM 1257 ND1 HIS A 83 5.198 -11.415 -3.653 1.00 0.00 N ATOM 1258 CD2 HIS A 83 4.889 -9.351 -3.020 1.00 0.00 C ATOM 1259 CE1 HIS A 83 5.807 -10.644 -4.531 1.00 0.00 C ATOM 1260 NE2 HIS A 83 5.633 -9.391 -4.171 1.00 0.00 N ATOM 0 H HIS A 83 5.504 -10.648 0.389 1.00 0.00 H new ATOM 0 HA HIS A 83 3.161 -9.292 -0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.326 -12.081 -1.160 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.844 -11.525 -1.912 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.169 -12.434 -3.685 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.586 -8.465 -2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.355 -10.983 -5.398 1.00 0.00 H new ATOM 1269 N LEU A 84 1.525 -10.119 0.884 1.00 0.00 N ATOM 1270 CA LEU A 84 0.472 -10.622 1.769 1.00 0.00 C ATOM 1271 C LEU A 84 -0.632 -11.294 0.940 1.00 0.00 C ATOM 1272 O LEU A 84 -1.387 -10.629 0.230 1.00 0.00 O ATOM 1273 CB LEU A 84 -0.097 -9.470 2.616 1.00 0.00 C ATOM 1274 CG LEU A 84 -1.147 -9.865 3.667 1.00 0.00 C ATOM 1275 CD1 LEU A 84 -0.618 -10.973 4.572 1.00 0.00 C ATOM 1276 CD2 LEU A 84 -1.552 -8.647 4.496 1.00 0.00 C ATOM 0 H LEU A 84 1.332 -9.201 0.483 1.00 0.00 H new ATOM 0 HA LEU A 84 0.893 -11.367 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.731 -8.976 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.542 -8.736 1.944 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.027 -10.242 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.378 -11.236 5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.376 -11.849 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.279 -10.626 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.296 -8.942 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.675 -8.244 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.974 -7.885 3.841 1.00 0.00 H new ATOM 1288 N TYR A 85 -0.706 -12.619 1.012 1.00 0.00 N ATOM 1289 CA TYR A 85 -1.644 -13.393 0.188 1.00 0.00 C ATOM 1290 C TYR A 85 -3.065 -13.392 0.792 1.00 0.00 C ATOM 1291 O TYR A 85 -3.659 -14.451 1.017 1.00 0.00 O ATOM 1292 CB TYR A 85 -1.125 -14.833 0.044 1.00 0.00 C ATOM 1293 CG TYR A 85 0.328 -14.918 -0.398 1.00 0.00 C ATOM 1294 CD1 TYR A 85 0.723 -14.452 -1.647 1.00 0.00 C ATOM 1295 CD2 TYR A 85 1.304 -15.462 0.433 1.00 0.00 C ATOM 1296 CE1 TYR A 85 2.042 -14.525 -2.054 1.00 0.00 C ATOM 1297 CE2 TYR A 85 2.624 -15.537 0.032 1.00 0.00 C ATOM 1298 CZ TYR A 85 2.987 -15.069 -1.211 1.00 0.00 C ATOM 1299 OH TYR A 85 4.302 -15.147 -1.615 1.00 0.00 O ATOM 0 H TYR A 85 -0.128 -13.186 1.633 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.708 -12.925 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.236 -15.347 0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.747 -15.363 -0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.014 -14.025 -2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.024 -15.832 1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.331 -14.158 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.368 -15.961 0.691 1.00 0.00 H new ATOM 0 HH TYR A 85 4.499 -14.410 -2.230 1.00 0.00 H new ATOM 1309 N ARG A 86 -3.617 -12.200 1.030 1.00 0.00 N ATOM 1310 CA ARG A 86 -4.915 -12.059 1.716 1.00 0.00 C ATOM 1311 C ARG A 86 -5.782 -10.939 1.113 1.00 0.00 C ATOM 1312 O ARG A 86 -5.284 -10.068 0.403 1.00 0.00 O ATOM 1313 CB ARG A 86 -4.688 -11.735 3.204 1.00 0.00 C ATOM 1314 CG ARG A 86 -4.027 -12.845 4.009 1.00 0.00 C ATOM 1315 CD ARG A 86 -4.893 -14.097 4.080 1.00 0.00 C ATOM 1316 NE ARG A 86 -4.415 -15.028 5.098 1.00 0.00 N ATOM 1317 CZ ARG A 86 -4.808 -16.265 5.205 1.00 0.00 C ATOM 1318 NH1 ARG A 86 -5.580 -16.791 4.308 1.00 0.00 N ATOM 1319 NH2 ARG A 86 -4.400 -16.985 6.197 1.00 0.00 N ATOM 0 H ARG A 86 -3.189 -11.314 0.760 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.438 -13.007 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.072 -10.838 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.649 -11.499 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.066 -13.095 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.824 -12.488 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.923 -13.815 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.898 -14.591 3.109 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.728 -14.687 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.886 -16.236 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.882 -17.761 4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.772 -16.584 6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.706 -17.954 6.284 1.00 0.00 H new ATOM 1333 N PRO A 87 -7.105 -10.964 1.385 1.00 0.00 N ATOM 1334 CA PRO A 87 -7.973 -9.795 1.193 1.00 0.00 C ATOM 1335 C PRO A 87 -7.859 -8.820 2.386 1.00 0.00 C ATOM 1336 O PRO A 87 -8.407 -9.066 3.464 1.00 0.00 O ATOM 1337 CB PRO A 87 -9.372 -10.416 1.110 1.00 0.00 C ATOM 1338 CG PRO A 87 -9.292 -11.650 1.949 1.00 0.00 C ATOM 1339 CD PRO A 87 -7.864 -12.143 1.861 1.00 0.00 C ATOM 0 HA PRO A 87 -7.716 -9.204 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.132 -9.731 1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -9.639 -10.654 0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.564 -11.434 2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.986 -12.409 1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.500 -12.487 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.773 -12.981 1.170 1.00 0.00 H new ATOM 1347 N LEU A 88 -7.138 -7.717 2.195 1.00 0.00 N ATOM 1348 CA LEU A 88 -6.761 -6.832 3.310 1.00 0.00 C ATOM 1349 C LEU A 88 -7.933 -5.963 3.799 1.00 0.00 C ATOM 1350 O LEU A 88 -8.514 -5.196 3.038 1.00 0.00 O ATOM 1351 CB LEU A 88 -5.577 -5.939 2.906 1.00 0.00 C ATOM 1352 CG LEU A 88 -4.184 -6.595 2.953 1.00 0.00 C ATOM 1353 CD1 LEU A 88 -4.108 -7.809 2.036 1.00 0.00 C ATOM 1354 CD2 LEU A 88 -3.102 -5.578 2.592 1.00 0.00 C ATOM 0 H LEU A 88 -6.801 -7.410 1.283 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.469 -7.476 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.751 -5.577 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.567 -5.067 3.559 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.012 -6.940 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.112 -8.247 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.847 -8.547 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.311 -7.503 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.124 -6.058 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.281 -5.198 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.128 -4.751 3.302 1.00 0.00 H new ATOM 1366 N LEU A 89 -8.256 -6.073 5.084 1.00 0.00 N ATOM 1367 CA LEU A 89 -9.353 -5.299 5.685 1.00 0.00 C ATOM 1368 C LEU A 89 -8.967 -3.819 5.820 1.00 0.00 C ATOM 1369 O LEU A 89 -8.167 -3.476 6.692 1.00 0.00 O ATOM 1370 CB LEU A 89 -9.678 -5.857 7.075 1.00 0.00 C ATOM 1371 CG LEU A 89 -9.875 -7.382 7.153 1.00 0.00 C ATOM 1372 CD1 LEU A 89 -10.273 -7.808 8.567 1.00 0.00 C ATOM 1373 CD2 LEU A 89 -10.907 -7.846 6.128 1.00 0.00 C ATOM 0 H LEU A 89 -7.775 -6.692 5.737 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.224 -5.381 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.874 -5.578 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.585 -5.373 7.438 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.925 -7.861 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.407 -8.889 8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.490 -7.519 9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.207 -7.319 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.031 -8.927 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.861 -7.357 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.567 -7.586 5.126 1.00 0.00 H new ATOM 1385 N VAL A 90 -9.533 -2.938 4.982 1.00 0.00 N ATOM 1386 CA VAL A 90 -9.075 -1.539 4.923 1.00 0.00 C ATOM 1387 C VAL A 90 -7.556 -1.508 4.671 1.00 0.00 C ATOM 1388 O VAL A 90 -6.816 -0.695 5.224 1.00 0.00 O ATOM 1389 CB VAL A 90 -9.464 -0.793 6.230 1.00 0.00 C ATOM 1390 CG1 VAL A 90 -9.103 0.695 6.174 1.00 0.00 C ATOM 1391 CG2 VAL A 90 -10.957 -0.967 6.502 1.00 0.00 C ATOM 0 H VAL A 90 -10.297 -3.163 4.344 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.564 -1.022 4.098 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.891 -1.233 7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.393 1.175 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.028 0.803 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.630 1.166 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.223 -0.442 7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.529 -0.556 5.670 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.186 -2.027 6.611 1.00 0.00 H new ATOM 1401 N SER A 91 -7.111 -2.430 3.809 1.00 0.00 N ATOM 1402 CA SER A 91 -5.683 -2.632 3.522 1.00 0.00 C ATOM 1403 C SER A 91 -4.890 -2.928 4.806 1.00 0.00 C ATOM 1404 O SER A 91 -3.667 -2.800 4.828 1.00 0.00 O ATOM 1405 CB SER A 91 -5.087 -1.417 2.790 1.00 0.00 C ATOM 1406 OG SER A 91 -5.706 -1.218 1.526 1.00 0.00 O ATOM 0 H SER A 91 -7.728 -3.056 3.291 1.00 0.00 H new ATOM 0 HA SER A 91 -5.603 -3.500 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.212 -0.524 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.015 -1.562 2.653 1.00 0.00 H new ATOM 0 HG SER A 91 -5.871 -2.086 1.102 1.00 0.00 H new ATOM 1412 N GLU A 92 -5.604 -3.362 5.862 1.00 0.00 N ATOM 1413 CA GLU A 92 -5.016 -3.557 7.197 1.00 0.00 C ATOM 1414 C GLU A 92 -4.145 -2.352 7.592 1.00 0.00 C ATOM 1415 O GLU A 92 -3.125 -2.477 8.270 1.00 0.00 O ATOM 1416 CB GLU A 92 -4.247 -4.888 7.249 1.00 0.00 C ATOM 1417 CG GLU A 92 -5.160 -6.096 7.017 1.00 0.00 C ATOM 1418 CD GLU A 92 -4.480 -7.438 7.246 1.00 0.00 C ATOM 1419 OE1 GLU A 92 -4.261 -7.801 8.421 1.00 0.00 O ATOM 1420 OE2 GLU A 92 -4.210 -8.153 6.262 1.00 0.00 O ATOM 0 H GLU A 92 -6.598 -3.585 5.813 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.815 -3.617 7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.460 -4.880 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.759 -4.985 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.022 -6.019 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.539 -6.062 5.995 1.00 0.00 H new ATOM 1427 N VAL A 93 -4.613 -1.177 7.175 1.00 0.00 N ATOM 1428 CA VAL A 93 -3.903 0.085 7.366 1.00 0.00 C ATOM 1429 C VAL A 93 -3.828 0.511 8.845 1.00 0.00 C ATOM 1430 O VAL A 93 -4.812 0.975 9.432 1.00 0.00 O ATOM 1431 CB VAL A 93 -4.567 1.202 6.504 1.00 0.00 C ATOM 1432 CG1 VAL A 93 -4.201 2.604 7.004 1.00 0.00 C ATOM 1433 CG2 VAL A 93 -4.157 1.042 5.044 1.00 0.00 C ATOM 0 H VAL A 93 -5.505 -1.074 6.690 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.875 -0.068 7.037 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.648 1.094 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.684 3.352 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.538 2.723 8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.120 2.736 6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.624 1.825 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.073 1.119 4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.480 0.067 4.680 1.00 0.00 H new ATOM 1443 N THR A 94 -2.647 0.330 9.439 1.00 0.00 N ATOM 1444 CA THR A 94 -2.358 0.834 10.789 1.00 0.00 C ATOM 1445 C THR A 94 -2.147 2.354 10.758 1.00 0.00 C ATOM 1446 O THR A 94 -2.745 3.101 11.535 1.00 0.00 O ATOM 1447 CB THR A 94 -1.088 0.167 11.388 1.00 0.00 C ATOM 1448 OG1 THR A 94 -1.231 -1.262 11.406 1.00 0.00 O ATOM 1449 CG2 THR A 94 -0.812 0.666 12.804 1.00 0.00 C ATOM 0 H THR A 94 -1.868 -0.165 9.005 1.00 0.00 H new ATOM 0 HA THR A 94 -3.215 0.587 11.415 1.00 0.00 H new ATOM 0 HB THR A 94 -0.246 0.441 10.753 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.423 -1.667 11.784 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.083 0.180 13.193 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.660 1.745 12.786 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.661 0.430 13.445 1.00 0.00 H new ATOM 1457 N ARG A 95 -1.298 2.807 9.837 1.00 0.00 N ATOM 1458 CA ARG A 95 -0.997 4.233 9.689 1.00 0.00 C ATOM 1459 C ARG A 95 -1.475 4.758 8.326 1.00 0.00 C ATOM 1460 O ARG A 95 -1.314 4.103 7.296 1.00 0.00 O ATOM 1461 CB ARG A 95 0.510 4.456 9.832 1.00 0.00 C ATOM 1462 CG ARG A 95 0.932 5.907 10.037 1.00 0.00 C ATOM 1463 CD ARG A 95 2.453 6.051 10.020 1.00 0.00 C ATOM 1464 NE ARG A 95 3.118 5.072 10.883 1.00 0.00 N ATOM 1465 CZ ARG A 95 4.312 5.224 11.386 1.00 0.00 C ATOM 1466 NH1 ARG A 95 4.979 6.321 11.209 1.00 0.00 N ATOM 1467 NH2 ARG A 95 4.830 4.278 12.087 1.00 0.00 N ATOM 0 H ARG A 95 -0.804 2.205 9.178 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.525 4.781 10.469 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.871 3.866 10.675 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.005 4.072 8.940 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.497 6.528 9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.541 6.271 10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.814 5.935 8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.723 7.057 10.341 1.00 0.00 H new ATOM 0 HE ARG A 95 2.614 4.214 11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.572 7.084 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.911 6.421 11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.308 3.416 12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.763 4.389 12.484 1.00 0.00 H new ATOM 1481 N GLU A 96 -2.043 5.951 8.335 1.00 0.00 N ATOM 1482 CA GLU A 96 -2.611 6.566 7.126 1.00 0.00 C ATOM 1483 C GLU A 96 -2.122 8.015 6.991 1.00 0.00 C ATOM 1484 O GLU A 96 -2.302 8.818 7.908 1.00 0.00 O ATOM 1485 CB GLU A 96 -4.149 6.529 7.203 1.00 0.00 C ATOM 1486 CG GLU A 96 -4.865 7.081 5.975 1.00 0.00 C ATOM 1487 CD GLU A 96 -6.374 7.181 6.178 1.00 0.00 C ATOM 1488 OE1 GLU A 96 -6.824 8.127 6.857 1.00 0.00 O ATOM 1489 OE2 GLU A 96 -7.116 6.315 5.670 1.00 0.00 O ATOM 0 H GLU A 96 -2.128 6.527 9.172 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.283 6.006 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.466 5.498 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.469 7.096 8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.467 8.068 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.658 6.440 5.118 1.00 0.00 H new ATOM 1496 N ALA A 97 -1.495 8.350 5.865 1.00 0.00 N ATOM 1497 CA ALA A 97 -0.930 9.692 5.680 1.00 0.00 C ATOM 1498 C ALA A 97 -0.994 10.145 4.222 1.00 0.00 C ATOM 1499 O ALA A 97 -0.890 9.335 3.307 1.00 0.00 O ATOM 1500 CB ALA A 97 0.513 9.723 6.174 1.00 0.00 C ATOM 0 H ALA A 97 -1.364 7.721 5.073 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.533 10.386 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.924 10.722 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.541 9.465 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.106 9.003 5.610 1.00 0.00 H new ATOM 1506 N ASP A 98 -1.176 11.442 4.016 1.00 0.00 N ATOM 1507 CA ASP A 98 -1.132 12.024 2.676 1.00 0.00 C ATOM 1508 C ASP A 98 0.325 12.146 2.197 1.00 0.00 C ATOM 1509 O ASP A 98 1.187 12.632 2.934 1.00 0.00 O ATOM 1510 CB ASP A 98 -1.824 13.389 2.685 1.00 0.00 C ATOM 1511 CG ASP A 98 -3.265 13.286 3.158 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -3.491 13.190 4.385 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -4.179 13.283 2.305 1.00 0.00 O ATOM 0 H ASP A 98 -1.356 12.115 4.761 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.661 11.372 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.276 14.071 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.800 13.816 1.682 1.00 0.00 H new ATOM 1518 N LEU A 99 0.597 11.696 0.972 1.00 0.00 N ATOM 1519 CA LEU A 99 1.971 11.625 0.458 1.00 0.00 C ATOM 1520 C LEU A 99 2.624 13.012 0.331 1.00 0.00 C ATOM 1521 O LEU A 99 2.069 13.924 -0.284 1.00 0.00 O ATOM 1522 CB LEU A 99 1.992 10.911 -0.899 1.00 0.00 C ATOM 1523 CG LEU A 99 3.389 10.711 -1.516 1.00 0.00 C ATOM 1524 CD1 LEU A 99 4.274 9.864 -0.601 1.00 0.00 C ATOM 1525 CD2 LEU A 99 3.279 10.073 -2.898 1.00 0.00 C ATOM 0 H LEU A 99 -0.114 11.374 0.315 1.00 0.00 H new ATOM 0 HA LEU A 99 2.554 11.057 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.520 9.935 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.381 11.480 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 99 3.855 11.691 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.255 9.737 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.385 10.363 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.814 8.887 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.276 9.940 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.788 9.103 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.694 10.720 -3.552 1.00 0.00 H new ATOM 1537 N ASP A 100 3.818 13.154 0.907 1.00 0.00 N ATOM 1538 CA ASP A 100 4.559 14.418 0.864 1.00 0.00 C ATOM 1539 C ASP A 100 5.517 14.475 -0.340 1.00 0.00 C ATOM 1540 O ASP A 100 6.495 13.726 -0.411 1.00 0.00 O ATOM 1541 CB ASP A 100 5.349 14.610 2.162 1.00 0.00 C ATOM 1542 CG ASP A 100 4.471 14.508 3.400 1.00 0.00 C ATOM 1543 OD1 ASP A 100 3.790 15.501 3.739 1.00 0.00 O ATOM 1544 OD2 ASP A 100 4.466 13.438 4.045 1.00 0.00 O ATOM 0 H ASP A 100 4.295 12.407 1.411 1.00 0.00 H new ATOM 0 HA ASP A 100 3.832 15.223 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.138 13.860 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.837 15.585 2.146 1.00 0.00 H new ATOM 1549 N LEU A 101 5.221 15.359 -1.290 1.00 0.00 N ATOM 1550 CA LEU A 101 6.096 15.585 -2.449 1.00 0.00 C ATOM 1551 C LEU A 101 7.046 16.770 -2.189 1.00 0.00 C ATOM 1552 O LEU A 101 6.794 17.595 -1.306 1.00 0.00 O ATOM 1553 CB LEU A 101 5.253 15.862 -3.706 1.00 0.00 C ATOM 1554 CG LEU A 101 4.215 14.783 -4.062 1.00 0.00 C ATOM 1555 CD1 LEU A 101 3.397 15.197 -5.283 1.00 0.00 C ATOM 1556 CD2 LEU A 101 4.894 13.439 -4.306 1.00 0.00 C ATOM 0 H LEU A 101 4.379 15.935 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 101 6.691 14.686 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.733 16.810 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.927 15.986 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 101 3.536 14.677 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.670 14.418 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.874 16.130 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.062 15.339 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.141 12.691 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.600 13.533 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.426 13.131 -3.406 1.00 0.00 H new ATOM 1568 N ASP A 102 8.139 16.855 -2.944 1.00 0.00 N ATOM 1569 CA ASP A 102 9.066 17.986 -2.813 1.00 0.00 C ATOM 1570 C ASP A 102 8.887 19.002 -3.958 1.00 0.00 C ATOM 1571 O ASP A 102 7.956 18.899 -4.759 1.00 0.00 O ATOM 1572 CB ASP A 102 10.522 17.492 -2.745 1.00 0.00 C ATOM 1573 CG ASP A 102 11.000 16.761 -3.994 1.00 0.00 C ATOM 1574 OD1 ASP A 102 10.260 16.708 -4.995 1.00 0.00 O ATOM 1575 OD2 ASP A 102 12.139 16.247 -3.976 1.00 0.00 O ATOM 0 H ASP A 102 8.406 16.165 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 102 8.831 18.498 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.175 18.347 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.627 16.827 -1.888 1.00 0.00 H new ATOM 1580 N ALA A 103 9.794 19.974 -4.034 1.00 0.00 N ATOM 1581 CA ALA A 103 9.734 21.019 -5.062 1.00 0.00 C ATOM 1582 C ALA A 103 9.977 20.476 -6.486 1.00 0.00 C ATOM 1583 O ALA A 103 9.849 21.216 -7.465 1.00 0.00 O ATOM 1584 CB ALA A 103 10.740 22.119 -4.740 1.00 0.00 C ATOM 0 H ALA A 103 10.584 20.062 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 103 8.722 21.423 -5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.691 22.892 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.504 22.555 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.745 21.697 -4.714 1.00 0.00 H new ATOM 1590 N ASP A 104 10.326 19.194 -6.604 1.00 0.00 N ATOM 1591 CA ASP A 104 10.574 18.573 -7.914 1.00 0.00 C ATOM 1592 C ASP A 104 9.495 17.529 -8.275 1.00 0.00 C ATOM 1593 O ASP A 104 9.407 17.084 -9.425 1.00 0.00 O ATOM 1594 CB ASP A 104 11.963 17.926 -7.930 1.00 0.00 C ATOM 1595 CG ASP A 104 13.069 18.931 -7.644 1.00 0.00 C ATOM 1596 OD1 ASP A 104 13.499 19.637 -8.578 1.00 0.00 O ATOM 1597 OD2 ASP A 104 13.517 19.023 -6.481 1.00 0.00 O ATOM 0 H ASP A 104 10.444 18.563 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 104 10.529 19.360 -8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.999 17.128 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.136 17.465 -8.902 1.00 0.00 H new ATOM 1602 N GLY A 105 8.681 17.136 -7.296 1.00 0.00 N ATOM 1603 CA GLY A 105 7.600 16.180 -7.545 1.00 0.00 C ATOM 1604 C GLY A 105 7.942 14.746 -7.135 1.00 0.00 C ATOM 1605 O GLY A 105 7.246 13.800 -7.517 1.00 0.00 O ATOM 0 H GLY A 105 8.747 17.461 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.710 16.501 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.350 16.196 -8.606 1.00 0.00 H new ATOM 1609 N VAL A 106 9.014 14.583 -6.360 1.00 0.00 N ATOM 1610 CA VAL A 106 9.440 13.266 -5.875 1.00 0.00 C ATOM 1611 C VAL A 106 8.978 13.028 -4.424 1.00 0.00 C ATOM 1612 O VAL A 106 9.263 13.831 -3.532 1.00 0.00 O ATOM 1613 CB VAL A 106 10.982 13.111 -5.947 1.00 0.00 C ATOM 1614 CG1 VAL A 106 11.416 11.721 -5.475 1.00 0.00 C ATOM 1615 CG2 VAL A 106 11.481 13.387 -7.366 1.00 0.00 C ATOM 0 H VAL A 106 9.609 15.352 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 106 8.975 12.525 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 106 11.431 13.844 -5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.501 11.639 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.098 11.571 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.959 10.962 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.565 13.274 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.021 12.681 -8.057 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.213 14.403 -7.655 1.00 0.00 H new ATOM 1625 N PRO A 107 8.245 11.925 -4.171 1.00 0.00 N ATOM 1626 CA PRO A 107 7.785 11.561 -2.813 1.00 0.00 C ATOM 1627 C PRO A 107 8.936 11.448 -1.792 1.00 0.00 C ATOM 1628 O PRO A 107 9.805 10.574 -1.896 1.00 0.00 O ATOM 1629 CB PRO A 107 7.109 10.199 -3.027 1.00 0.00 C ATOM 1630 CG PRO A 107 6.694 10.214 -4.460 1.00 0.00 C ATOM 1631 CD PRO A 107 7.781 10.954 -5.184 1.00 0.00 C ATOM 0 HA PRO A 107 7.128 12.322 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.795 9.378 -2.820 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.252 10.072 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 107 6.583 9.201 -4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.731 10.710 -4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 107 8.582 10.287 -5.502 1.00 0.00 H new ATOM 0 HD3 PRO A 107 7.406 11.451 -6.079 1.00 0.00 H new ATOM 1639 N GLN A 108 8.933 12.336 -0.800 1.00 0.00 N ATOM 1640 CA GLN A 108 9.996 12.376 0.207 1.00 0.00 C ATOM 1641 C GLN A 108 9.866 11.240 1.232 1.00 0.00 C ATOM 1642 O GLN A 108 9.278 11.406 2.301 1.00 0.00 O ATOM 1643 CB GLN A 108 10.007 13.736 0.919 1.00 0.00 C ATOM 1644 CG GLN A 108 10.325 14.911 -0.001 1.00 0.00 C ATOM 1645 CD GLN A 108 11.647 14.738 -0.731 1.00 0.00 C ATOM 1646 OE1 GLN A 108 12.700 15.128 -0.239 1.00 0.00 O ATOM 1647 NE2 GLN A 108 11.603 14.160 -1.914 1.00 0.00 N ATOM 0 H GLN A 108 8.206 13.039 -0.670 1.00 0.00 H new ATOM 0 HA GLN A 108 10.942 12.236 -0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.034 13.902 1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.741 13.708 1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.523 15.024 -0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.355 15.829 0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.711 13.847 -2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.461 14.026 -2.448 1.00 0.00 H new ATOM 1656 N LEU A 109 10.405 10.073 0.890 1.00 0.00 N ATOM 1657 CA LEU A 109 10.453 8.948 1.830 1.00 0.00 C ATOM 1658 C LEU A 109 11.632 9.075 2.798 1.00 0.00 C ATOM 1659 O LEU A 109 11.703 8.351 3.789 1.00 0.00 O ATOM 1660 CB LEU A 109 10.509 7.605 1.085 1.00 0.00 C ATOM 1661 CG LEU A 109 9.183 6.828 1.061 1.00 0.00 C ATOM 1662 CD1 LEU A 109 8.083 7.643 0.388 1.00 0.00 C ATOM 1663 CD2 LEU A 109 9.366 5.478 0.380 1.00 0.00 C ATOM 0 H LEU A 109 10.813 9.878 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 109 9.534 8.976 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.826 7.788 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.272 6.980 1.548 1.00 0.00 H new ATOM 0 HG LEU A 109 8.874 6.647 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.156 7.070 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.933 8.573 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.374 7.869 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.417 4.943 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.705 5.630 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.108 4.894 0.924 1.00 0.00 H new ATOM 1675 N GLY A 110 12.546 10.002 2.515 1.00 0.00 N ATOM 1676 CA GLY A 110 13.673 10.247 3.412 1.00 0.00 C ATOM 1677 C GLY A 110 13.236 10.554 4.841 1.00 0.00 C ATOM 1678 O GLY A 110 13.918 10.195 5.798 1.00 0.00 O ATOM 0 H GLY A 110 12.529 10.590 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 110 14.325 9.373 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.261 11.081 3.030 1.00 0.00 H new ATOM 1682 N ASP A 111 12.086 11.212 4.980 1.00 0.00 N ATOM 1683 CA ASP A 111 11.520 11.521 6.295 1.00 0.00 C ATOM 1684 C ASP A 111 10.995 10.244 6.983 1.00 0.00 C ATOM 1685 O ASP A 111 10.962 10.149 8.214 1.00 0.00 O ATOM 1686 CB ASP A 111 10.396 12.554 6.138 1.00 0.00 C ATOM 1687 CG ASP A 111 9.997 13.185 7.460 1.00 0.00 C ATOM 1688 OD1 ASP A 111 9.110 12.636 8.145 1.00 0.00 O ATOM 1689 OD2 ASP A 111 10.585 14.225 7.825 1.00 0.00 O ATOM 0 H ASP A 111 11.525 11.543 4.195 1.00 0.00 H new ATOM 0 HA ASP A 111 12.303 11.938 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.718 13.335 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.526 12.074 5.691 1.00 0.00 H new ATOM 1694 N HIS A 112 10.594 9.257 6.178 1.00 0.00 N ATOM 1695 CA HIS A 112 10.110 7.971 6.699 1.00 0.00 C ATOM 1696 C HIS A 112 11.276 7.066 7.115 1.00 0.00 C ATOM 1697 O HIS A 112 11.251 6.459 8.186 1.00 0.00 O ATOM 1698 CB HIS A 112 9.246 7.249 5.652 1.00 0.00 C ATOM 1699 CG HIS A 112 7.933 7.917 5.381 1.00 0.00 C ATOM 1700 ND1 HIS A 112 7.515 8.654 4.328 1.00 0.00 N flip ATOM 1701 CD2 HIS A 112 6.863 7.855 6.246 1.00 0.00 C flip ATOM 1702 CE1 HIS A 112 6.215 9.021 4.576 1.00 0.00 C flip ATOM 1703 NE2 HIS A 112 5.848 8.525 5.739 1.00 0.00 N flip ATOM 0 H HIS A 112 10.594 9.322 5.160 1.00 0.00 H new ATOM 0 HA HIS A 112 9.502 8.184 7.579 1.00 0.00 H new ATOM 0 HB2 HIS A 112 9.806 7.179 4.719 1.00 0.00 H new ATOM 0 HB3 HIS A 112 9.061 6.229 5.990 1.00 0.00 H new ATOM 0 HD2 HIS A 112 6.857 7.337 7.194 1.00 0.00 H new ATOM 0 HE1 HIS A 112 5.595 9.619 3.924 1.00 0.00 H new ATOM 0 HE2 HIS A 112 4.933 8.640 6.174 1.00 0.00 H new ATOM 1712 N LEU A 113 12.297 6.995 6.266 1.00 0.00 N ATOM 1713 CA LEU A 113 13.438 6.100 6.491 1.00 0.00 C ATOM 1714 C LEU A 113 14.412 6.675 7.537 1.00 0.00 C ATOM 1715 O LEU A 113 14.388 7.871 7.838 1.00 0.00 O ATOM 1716 CB LEU A 113 14.174 5.842 5.165 1.00 0.00 C ATOM 1717 CG LEU A 113 13.271 5.508 3.959 1.00 0.00 C ATOM 1718 CD1 LEU A 113 14.107 5.093 2.751 1.00 0.00 C ATOM 1719 CD2 LEU A 113 12.248 4.429 4.313 1.00 0.00 C ATOM 0 H LEU A 113 12.362 7.547 5.411 1.00 0.00 H new ATOM 0 HA LEU A 113 13.053 5.157 6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 113 14.766 6.724 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.874 5.019 5.312 1.00 0.00 H new ATOM 0 HG LEU A 113 12.721 6.412 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 113 13.448 4.863 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.775 5.908 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.696 4.211 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.627 4.216 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.768 3.521 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.618 4.779 5.131 1.00 0.00 H new ATOM 1731 N ALA A 114 15.270 5.817 8.087 1.00 0.00 N ATOM 1732 CA ALA A 114 16.212 6.228 9.136 1.00 0.00 C ATOM 1733 C ALA A 114 17.356 7.104 8.590 1.00 0.00 C ATOM 1734 O ALA A 114 18.317 6.601 8.001 1.00 0.00 O ATOM 1735 CB ALA A 114 16.777 4.999 9.843 1.00 0.00 C ATOM 0 H ALA A 114 15.335 4.833 7.826 1.00 0.00 H new ATOM 0 HA ALA A 114 15.657 6.837 9.850 1.00 0.00 H new ATOM 0 HB1 ALA A 114 17.474 5.314 10.619 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.963 4.433 10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 114 17.298 4.371 9.120 1.00 0.00 H new ATOM 1741 N LEU A 115 17.237 8.419 8.781 1.00 0.00 N ATOM 1742 CA LEU A 115 18.307 9.359 8.419 1.00 0.00 C ATOM 1743 C LEU A 115 19.471 9.276 9.420 1.00 0.00 C ATOM 1744 O LEU A 115 19.265 9.378 10.629 1.00 0.00 O ATOM 1745 CB LEU A 115 17.763 10.795 8.379 1.00 0.00 C ATOM 1746 CG LEU A 115 16.656 11.055 7.344 1.00 0.00 C ATOM 1747 CD1 LEU A 115 16.150 12.492 7.449 1.00 0.00 C ATOM 1748 CD2 LEU A 115 17.157 10.761 5.929 1.00 0.00 C ATOM 0 H LEU A 115 16.411 8.861 9.184 1.00 0.00 H new ATOM 0 HA LEU A 115 18.676 9.085 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.379 11.047 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 115 18.592 11.473 8.177 1.00 0.00 H new ATOM 0 HG LEU A 115 15.825 10.382 7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 115 15.367 12.657 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.748 12.664 8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.974 13.182 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 115 16.358 10.952 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.007 11.404 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 115 17.464 9.717 5.861 1.00 0.00 H new ATOM 1760 N GLU A 116 20.688 9.096 8.913 1.00 0.00 N ATOM 1761 CA GLU A 116 21.881 8.993 9.766 1.00 0.00 C ATOM 1762 C GLU A 116 22.185 10.328 10.472 1.00 0.00 C ATOM 1763 O GLU A 116 22.159 10.414 11.702 1.00 0.00 O ATOM 1764 CB GLU A 116 23.080 8.525 8.914 1.00 0.00 C ATOM 1765 CG GLU A 116 24.424 8.454 9.649 1.00 0.00 C ATOM 1766 CD GLU A 116 25.153 9.791 9.699 1.00 0.00 C ATOM 1767 OE1 GLU A 116 25.414 10.365 8.621 1.00 0.00 O ATOM 1768 OE2 GLU A 116 25.474 10.267 10.811 1.00 0.00 O ATOM 0 H GLU A 116 20.880 9.018 7.914 1.00 0.00 H new ATOM 0 HA GLU A 116 21.692 8.258 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 116 22.854 7.538 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 116 23.185 9.200 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 116 24.256 8.101 10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 116 25.061 7.719 9.158 1.00 0.00 H new TER 1775 GLU A 116