USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 12 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.26) USER MOD Set 2.1: A 8 CYS SG : rot 170:sc= 0.324 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 20:sc= 0.41 USER MOD Single : A 18 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.7) USER MOD Single : A 21 GLN : amide:sc= -4.74 K(o=-4.7,f=-9.6!) USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -0.626 (180deg=-1.89!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0537 K(o=-0.054,f=-0.56) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 44 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.0054) USER MOD Single : A 45 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.017) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.4) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 167:sc= -1.5 (180deg=-1.8) USER MOD Single : A 52 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.3!) USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.598) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 58 MET CE :methyl -179:sc= -12.5! (180deg=-12.7!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.00216 K(o=0.0022,f=-6.5!) USER MOD Single : A 63 HIS : no HD1:sc= -5.32! C(o=-5.3!,f=-14!) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= 0.0439 (180deg=0.0181) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 168:sc= -14.4! (180deg=-14.6!) USER MOD Single : A 73 ASN : amide:sc= -1.14 K(o=-1.1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -9.301 -18.577 41.347 1.00 61.43 N ATOM 63 CA THR A 5 -9.699 -18.950 39.995 1.00 75.42 C ATOM 64 C THR A 5 -11.104 -18.443 39.690 1.00 53.15 C ATOM 65 O THR A 5 -12.086 -18.935 40.246 1.00 32.22 O ATOM 66 CB THR A 5 -9.640 -20.468 39.821 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.533 -21.010 40.518 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.530 -20.903 38.376 1.00 34.41 C ATOM 0 HA THR A 5 -9.003 -18.489 39.295 1.00 75.42 H new ATOM 0 HB THR A 5 -10.582 -20.840 40.224 1.00 2.14 H new ATOM 0 HG1 THR A 5 -8.234 -20.375 41.202 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.493 -21.991 38.325 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.396 -20.543 37.821 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.622 -20.488 37.939 1.00 34.41 H new ATOM 76 N ILE A 6 -11.193 -17.456 38.806 1.00 1.53 N ATOM 77 CA ILE A 6 -12.479 -16.880 38.434 1.00 33.41 C ATOM 78 C ILE A 6 -13.143 -17.674 37.314 1.00 11.10 C ATOM 79 O ILE A 6 -12.624 -18.696 36.869 1.00 72.21 O ATOM 80 CB ILE A 6 -12.329 -15.409 37.981 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.616 -15.322 36.626 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.572 -14.605 39.029 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.711 -13.955 35.985 1.00 23.21 C ATOM 0 H ILE A 6 -10.391 -17.039 38.334 1.00 1.53 H new ATOM 0 HA ILE A 6 -13.106 -16.921 39.324 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.327 -14.986 37.868 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.566 -15.581 36.759 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -12.044 -16.063 35.950 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.475 -13.572 38.695 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -12.118 -14.632 39.972 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.581 -15.035 39.171 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.186 -13.964 35.030 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.758 -13.702 35.821 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.257 -13.213 36.642 1.00 23.21 H new ATOM 95 N PHE A 7 -14.284 -17.175 36.853 1.00 13.34 N ATOM 96 CA PHE A 7 -15.020 -17.811 35.770 1.00 50.22 C ATOM 97 C PHE A 7 -15.223 -16.816 34.635 1.00 42.14 C ATOM 98 O PHE A 7 -16.105 -15.960 34.700 1.00 72.41 O ATOM 99 CB PHE A 7 -16.371 -18.332 36.264 1.00 50.24 C ATOM 100 CG PHE A 7 -16.892 -19.492 35.464 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.353 -20.758 35.623 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.920 -19.314 34.552 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.831 -21.827 34.886 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.402 -20.378 33.814 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.856 -21.636 33.980 1.00 21.53 C ATOM 0 H PHE A 7 -14.720 -16.327 37.216 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.442 -18.660 35.406 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.276 -18.633 37.307 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.099 -17.521 36.231 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.551 -20.912 36.330 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.349 -18.332 34.417 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.403 -22.810 35.019 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.205 -20.226 33.108 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.230 -22.469 33.403 1.00 21.53 H new ATOM 115 N CYS A 8 -14.392 -16.920 33.603 1.00 31.32 N ATOM 116 CA CYS A 8 -14.479 -16.013 32.469 1.00 54.41 C ATOM 117 C CYS A 8 -15.840 -16.118 31.789 1.00 65.22 C ATOM 118 O CYS A 8 -16.452 -17.185 31.764 1.00 34.32 O ATOM 119 CB CYS A 8 -13.360 -16.307 31.467 1.00 24.25 C ATOM 120 SG CYS A 8 -13.201 -15.074 30.156 1.00 51.15 S ATOM 0 H CYS A 8 -13.654 -17.621 33.530 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.362 -14.994 32.839 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.414 -16.374 32.004 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.539 -17.282 31.014 1.00 24.25 H new ATOM 0 HG CYS A 8 -12.106 -15.289 29.489 1.00 51.15 H new ATOM 126 N THR A 9 -16.308 -15.002 31.237 1.00 52.25 N ATOM 127 CA THR A 9 -17.597 -14.972 30.555 1.00 12.21 C ATOM 128 C THR A 9 -17.413 -15.128 29.048 1.00 43.22 C ATOM 129 O THR A 9 -18.306 -15.612 28.352 1.00 73.23 O ATOM 130 CB THR A 9 -18.338 -13.670 30.867 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.667 -13.721 30.379 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.680 -12.443 30.276 1.00 1.45 C ATOM 0 H THR A 9 -15.815 -14.109 31.249 1.00 52.25 H new ATOM 0 HA THR A 9 -18.194 -15.808 30.918 1.00 12.21 H new ATOM 0 HB THR A 9 -18.316 -13.583 31.953 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.125 -12.881 30.589 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.260 -11.558 30.538 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.669 -12.345 30.673 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.636 -12.540 29.191 1.00 1.45 H new ATOM 140 N PHE A 10 -16.243 -14.729 28.554 1.00 65.32 N ATOM 141 CA PHE A 10 -15.943 -14.841 27.132 1.00 62.40 C ATOM 142 C PHE A 10 -15.666 -16.295 26.777 1.00 73.04 C ATOM 143 O PHE A 10 -16.109 -16.793 25.743 1.00 1.33 O ATOM 144 CB PHE A 10 -14.738 -13.970 26.765 1.00 25.33 C ATOM 145 CG PHE A 10 -14.299 -14.121 25.335 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.064 -13.602 24.303 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.122 -14.783 25.025 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.663 -13.742 22.987 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.715 -14.926 23.712 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.486 -14.405 22.691 1.00 24.22 C ATOM 0 H PHE A 10 -15.492 -14.328 29.115 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.805 -14.491 26.564 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.985 -12.925 26.952 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.905 -14.223 27.421 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.983 -13.082 24.529 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.515 -15.192 25.819 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.268 -13.334 22.191 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.795 -15.444 23.484 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.170 -14.515 21.664 1.00 24.22 H new ATOM 160 N LEU A 11 -14.943 -16.973 27.660 1.00 73.11 N ATOM 161 CA LEU A 11 -14.614 -18.379 27.467 1.00 31.00 C ATOM 162 C LEU A 11 -15.645 -19.268 28.153 1.00 73.10 C ATOM 163 O LEU A 11 -15.758 -20.455 27.845 1.00 62.15 O ATOM 164 CB LEU A 11 -13.220 -18.685 28.017 1.00 1.01 C ATOM 165 CG LEU A 11 -12.134 -17.677 27.645 1.00 4.35 C ATOM 166 CD1 LEU A 11 -10.987 -17.741 28.640 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.632 -17.936 26.232 1.00 2.01 C ATOM 0 H LEU A 11 -14.572 -16.569 28.520 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.625 -18.586 26.397 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.281 -18.743 29.104 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -12.916 -19.669 27.662 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.563 -16.676 27.680 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.222 -17.017 28.360 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.358 -17.510 29.638 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.557 -18.743 28.636 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.859 -17.210 25.982 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.218 -18.942 26.172 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.460 -17.842 25.529 1.00 2.01 H new ATOM 179 N GLN A 12 -16.389 -18.688 29.091 1.00 23.53 N ATOM 180 CA GLN A 12 -17.402 -19.433 29.826 1.00 23.44 C ATOM 181 C GLN A 12 -16.767 -20.606 30.562 1.00 25.43 C ATOM 182 O GLN A 12 -17.316 -21.707 30.593 1.00 51.41 O ATOM 183 CB GLN A 12 -18.493 -19.932 28.876 1.00 53.11 C ATOM 184 CG GLN A 12 -19.571 -18.899 28.591 1.00 64.42 C ATOM 185 CD GLN A 12 -20.342 -18.503 29.836 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.889 -19.354 30.537 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.388 -17.205 30.114 1.00 71.40 N ATOM 0 H GLN A 12 -16.308 -17.707 29.358 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.857 -18.766 30.558 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.033 -20.234 27.935 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.957 -20.821 29.304 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.113 -18.012 28.154 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.264 -19.297 27.850 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.919 -16.536 29.504 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.892 -16.877 30.938 1.00 71.40 H new ATOM 196 N ARG A 13 -15.606 -20.354 31.161 1.00 31.42 N ATOM 197 CA ARG A 13 -14.887 -21.381 31.909 1.00 30.23 C ATOM 198 C ARG A 13 -14.255 -20.775 33.157 1.00 63.10 C ATOM 199 O ARG A 13 -14.447 -19.596 33.446 1.00 64.23 O ATOM 200 CB ARG A 13 -13.798 -22.025 31.042 1.00 73.20 C ATOM 201 CG ARG A 13 -14.095 -21.987 29.553 1.00 72.11 C ATOM 202 CD ARG A 13 -13.100 -22.823 28.762 1.00 24.42 C ATOM 203 NE ARG A 13 -12.127 -21.991 28.054 1.00 51.31 N ATOM 204 CZ ARG A 13 -10.869 -21.804 28.453 1.00 21.21 C ATOM 205 NH1 ARG A 13 -10.418 -22.372 29.566 1.00 22.03 N ATOM 206 NH2 ARG A 13 -10.058 -21.038 27.737 1.00 63.21 N ATOM 0 H ARG A 13 -15.142 -19.446 31.143 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.601 -22.151 32.202 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.852 -21.516 31.227 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.668 -23.062 31.350 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.105 -22.356 29.373 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.065 -20.956 29.202 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -12.576 -23.499 29.438 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -13.637 -23.443 28.044 1.00 24.42 H new ATOM 0 HE ARG A 13 -12.431 -21.524 27.200 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -11.036 -22.959 30.126 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -9.453 -22.221 29.861 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -10.397 -20.594 26.884 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -9.095 -20.893 28.039 1.00 63.21 H new ATOM 220 N GLU A 14 -13.494 -21.582 33.888 1.00 1.13 N ATOM 221 CA GLU A 14 -12.833 -21.110 35.099 1.00 34.13 C ATOM 222 C GLU A 14 -11.341 -20.905 34.860 1.00 14.15 C ATOM 223 O GLU A 14 -10.608 -21.857 34.592 1.00 14.24 O ATOM 224 CB GLU A 14 -13.050 -22.094 36.249 1.00 13.12 C ATOM 225 CG GLU A 14 -13.165 -21.422 37.607 1.00 33.02 C ATOM 226 CD GLU A 14 -13.751 -22.336 38.665 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.037 -23.258 39.113 1.00 33.53 O ATOM 228 OE2 GLU A 14 -14.922 -22.130 39.045 1.00 65.42 O ATOM 0 H GLU A 14 -13.320 -22.562 33.665 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.274 -20.151 35.370 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.956 -22.669 36.059 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -12.222 -22.803 36.272 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.178 -21.088 37.927 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.788 -20.532 37.516 1.00 33.02 H new ATOM 235 N ALA A 15 -10.898 -19.654 34.956 1.00 12.03 N ATOM 236 CA ALA A 15 -9.494 -19.320 34.749 1.00 21.22 C ATOM 237 C ALA A 15 -8.902 -18.641 35.980 1.00 54.41 C ATOM 238 O ALA A 15 -9.575 -18.482 36.998 1.00 2.04 O ATOM 239 CB ALA A 15 -9.340 -18.428 33.526 1.00 50.14 C ATOM 0 H ALA A 15 -11.493 -18.855 35.176 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.946 -20.247 34.581 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.287 -18.186 33.383 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.716 -18.950 32.646 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.907 -17.509 33.672 1.00 50.14 H new ATOM 245 N GLU A 16 -7.635 -18.248 35.880 1.00 3.04 N ATOM 246 CA GLU A 16 -6.947 -17.590 36.986 1.00 72.43 C ATOM 247 C GLU A 16 -7.331 -16.115 37.085 1.00 31.24 C ATOM 248 O GLU A 16 -7.095 -15.471 38.107 1.00 54.24 O ATOM 249 CB GLU A 16 -5.434 -17.726 36.822 1.00 40.45 C ATOM 250 CG GLU A 16 -4.899 -17.078 35.555 1.00 2.55 C ATOM 251 CD GLU A 16 -4.627 -18.086 34.455 1.00 45.03 C ATOM 252 OE1 GLU A 16 -3.774 -18.976 34.663 1.00 44.31 O ATOM 253 OE2 GLU A 16 -5.266 -17.987 33.388 1.00 45.02 O ATOM 0 H GLU A 16 -7.064 -18.374 35.044 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.255 -18.081 37.909 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.942 -17.278 37.685 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.171 -18.784 36.818 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.617 -16.340 35.197 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -3.979 -16.541 35.786 1.00 2.55 H new ATOM 260 N GLY A 17 -7.926 -15.586 36.022 1.00 52.13 N ATOM 261 CA GLY A 17 -8.334 -14.192 36.015 1.00 51.12 C ATOM 262 C GLY A 17 -7.166 -13.238 36.173 1.00 22.35 C ATOM 263 O GLY A 17 -6.039 -13.663 36.426 1.00 53.22 O ATOM 0 H GLY A 17 -8.134 -16.097 35.164 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.852 -13.974 35.081 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -9.047 -14.023 36.822 1.00 51.12 H new ATOM 267 N GLN A 18 -7.437 -11.945 36.022 1.00 21.14 N ATOM 268 CA GLN A 18 -6.401 -10.925 36.147 1.00 54.11 C ATOM 269 C GLN A 18 -6.055 -10.679 37.612 1.00 43.52 C ATOM 270 O GLN A 18 -6.599 -11.325 38.507 1.00 15.54 O ATOM 271 CB GLN A 18 -6.858 -9.620 35.493 1.00 11.52 C ATOM 272 CG GLN A 18 -7.085 -9.740 33.993 1.00 53.05 C ATOM 273 CD GLN A 18 -7.971 -8.638 33.447 1.00 62.42 C ATOM 274 OE1 GLN A 18 -7.771 -7.460 33.742 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.960 -9.017 32.644 1.00 14.32 N ATOM 0 H GLN A 18 -8.366 -11.579 35.813 1.00 21.14 H new ATOM 0 HA GLN A 18 -5.508 -11.285 35.636 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.782 -9.289 35.967 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -6.111 -8.849 35.679 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.123 -9.715 33.481 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -7.538 -10.707 33.774 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -9.090 -10.005 32.426 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.589 -8.320 32.246 1.00 14.32 H new ATOM 284 N ASP A 19 -5.139 -9.744 37.848 1.00 30.30 N ATOM 285 CA ASP A 19 -4.712 -9.417 39.205 1.00 31.15 C ATOM 286 C ASP A 19 -4.958 -7.946 39.532 1.00 54.34 C ATOM 287 O ASP A 19 -5.108 -7.579 40.697 1.00 62.12 O ATOM 288 CB ASP A 19 -3.230 -9.744 39.382 1.00 61.25 C ATOM 289 CG ASP A 19 -2.970 -11.237 39.411 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.147 -11.891 38.362 1.00 32.45 O ATOM 291 OD2 ASP A 19 -2.590 -11.753 40.484 1.00 63.02 O ATOM 0 H ASP A 19 -4.679 -9.200 37.118 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.304 -10.020 39.893 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.661 -9.294 38.568 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.870 -9.297 40.308 1.00 61.25 H new ATOM 296 N PHE A 20 -4.995 -7.106 38.502 1.00 75.50 N ATOM 297 CA PHE A 20 -5.218 -5.676 38.694 1.00 61.11 C ATOM 298 C PHE A 20 -6.066 -5.096 37.565 1.00 11.10 C ATOM 299 O PHE A 20 -5.978 -5.537 36.419 1.00 10.14 O ATOM 300 CB PHE A 20 -3.880 -4.940 38.770 1.00 42.10 C ATOM 301 CG PHE A 20 -2.902 -5.374 37.716 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.288 -6.613 37.793 1.00 53.11 C ATOM 303 CD2 PHE A 20 -2.602 -4.546 36.647 1.00 62.20 C ATOM 304 CE1 PHE A 20 -1.390 -7.018 36.823 1.00 13.12 C ATOM 305 CE2 PHE A 20 -1.704 -4.945 35.675 1.00 64.11 C ATOM 306 CZ PHE A 20 -1.098 -6.182 35.762 1.00 51.01 C ATOM 0 H PHE A 20 -4.874 -7.389 37.529 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.757 -5.541 39.632 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -4.057 -3.869 38.673 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.439 -5.102 39.754 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -2.513 -7.270 38.620 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -3.075 -3.578 36.572 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -0.917 -7.986 36.894 1.00 13.12 H new ATOM 0 HE2 PHE A 20 -1.477 -4.289 34.848 1.00 64.11 H new ATOM 0 HZ PHE A 20 -0.397 -6.496 35.003 1.00 51.01 H new ATOM 316 N GLN A 21 -6.889 -4.106 37.901 1.00 15.34 N ATOM 317 CA GLN A 21 -7.757 -3.465 36.919 1.00 22.42 C ATOM 318 C GLN A 21 -6.954 -2.586 35.967 1.00 75.54 C ATOM 319 O GLN A 21 -6.214 -1.701 36.394 1.00 3.30 O ATOM 320 CB GLN A 21 -8.823 -2.625 37.624 1.00 41.11 C ATOM 321 CG GLN A 21 -9.944 -2.169 36.706 1.00 63.45 C ATOM 322 CD GLN A 21 -11.155 -1.675 37.473 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.860 -2.455 38.112 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.402 -0.372 37.412 1.00 51.02 N ATOM 0 H GLN A 21 -6.973 -3.731 38.846 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.242 -4.249 36.337 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.249 -3.206 38.442 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.349 -1.749 38.067 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.578 -1.372 36.058 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.239 -2.995 36.059 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -10.790 0.238 36.870 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.203 0.019 37.907 1.00 51.02 H new ATOM 333 N LEU A 22 -7.108 -2.838 34.672 1.00 10.45 N ATOM 334 CA LEU A 22 -6.399 -2.069 33.651 1.00 4.02 C ATOM 335 C LEU A 22 -7.322 -1.042 32.999 1.00 35.51 C ATOM 336 O LEU A 22 -6.902 0.069 32.674 1.00 71.53 O ATOM 337 CB LEU A 22 -5.824 -3.005 32.584 1.00 12.14 C ATOM 338 CG LEU A 22 -5.425 -4.396 33.085 1.00 25.31 C ATOM 339 CD1 LEU A 22 -4.765 -5.195 31.972 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.496 -4.284 34.285 1.00 4.03 C ATOM 0 H LEU A 22 -7.717 -3.568 34.302 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.582 -1.537 34.138 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -6.561 -3.120 31.789 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -4.948 -2.531 32.141 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.328 -4.922 33.396 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -4.488 -6.181 32.346 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -5.462 -5.305 31.141 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -3.871 -4.673 31.630 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.223 -5.282 34.628 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.596 -3.739 33.999 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -5.003 -3.750 35.089 1.00 4.03 H new ATOM 352 N TYR A 23 -8.581 -1.423 32.813 1.00 34.05 N ATOM 353 CA TYR A 23 -9.573 -0.545 32.202 1.00 23.50 C ATOM 354 C TYR A 23 -10.218 0.363 33.256 1.00 25.40 C ATOM 355 O TYR A 23 -10.021 0.164 34.453 1.00 43.13 O ATOM 356 CB TYR A 23 -10.643 -1.386 31.511 1.00 63.45 C ATOM 357 CG TYR A 23 -10.760 -1.140 30.030 1.00 52.33 C ATOM 358 CD1 TYR A 23 -9.640 -1.078 29.214 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.005 -0.951 29.459 1.00 4.51 C ATOM 360 CE1 TYR A 23 -9.764 -0.837 27.858 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.140 -0.707 28.112 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.018 -0.651 27.311 1.00 12.35 C ATOM 363 OH TYR A 23 -11.148 -0.407 25.964 1.00 2.05 O ATOM 0 H TYR A 23 -8.941 -2.340 33.078 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.076 0.087 31.466 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.423 -2.441 31.677 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.607 -1.184 31.979 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -8.659 -1.220 29.643 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -12.887 -0.996 30.081 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -8.886 -0.795 27.231 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.120 -0.560 27.683 1.00 71.50 H new ATOM 0 HH TYR A 23 -10.417 -0.845 25.480 1.00 2.05 H new ATOM 373 N PRO A 24 -10.991 1.378 32.818 1.00 32.24 N ATOM 374 CA PRO A 24 -11.670 2.329 33.707 1.00 11.05 C ATOM 375 C PRO A 24 -12.363 1.671 34.899 1.00 1.33 C ATOM 376 O PRO A 24 -12.224 0.474 35.144 1.00 21.12 O ATOM 377 CB PRO A 24 -12.704 3.012 32.794 1.00 65.33 C ATOM 378 CG PRO A 24 -12.647 2.271 31.500 1.00 43.20 C ATOM 379 CD PRO A 24 -11.265 1.706 31.419 1.00 63.42 C ATOM 0 HA PRO A 24 -10.954 3.015 34.159 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -13.702 2.965 33.229 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -12.467 4.066 32.653 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -13.396 1.480 31.468 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -12.849 2.935 30.659 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.220 0.826 30.777 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.551 2.428 31.021 1.00 63.42 H new ATOM 387 N GLY A 25 -13.096 2.490 35.645 1.00 62.31 N ATOM 388 CA GLY A 25 -13.792 2.028 36.833 1.00 55.53 C ATOM 389 C GLY A 25 -14.743 0.863 36.625 1.00 61.45 C ATOM 390 O GLY A 25 -14.370 -0.294 36.817 1.00 31.03 O ATOM 0 H GLY A 25 -13.222 3.482 35.444 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -13.050 1.740 37.578 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -14.355 2.863 37.250 1.00 55.53 H new ATOM 394 N GLU A 26 -15.989 1.175 36.280 1.00 34.32 N ATOM 395 CA GLU A 26 -17.020 0.154 36.103 1.00 25.33 C ATOM 396 C GLU A 26 -16.661 -0.877 35.039 1.00 14.12 C ATOM 397 O GLU A 26 -16.672 -2.078 35.309 1.00 61.02 O ATOM 398 CB GLU A 26 -18.356 0.813 35.754 1.00 60.13 C ATOM 399 CG GLU A 26 -19.236 1.080 36.966 1.00 32.34 C ATOM 400 CD GLU A 26 -19.294 2.550 37.333 1.00 53.51 C ATOM 401 OE1 GLU A 26 -18.300 3.263 37.087 1.00 44.40 O ATOM 402 OE2 GLU A 26 -20.334 2.986 37.871 1.00 61.30 O ATOM 0 H GLU A 26 -16.311 2.129 36.117 1.00 34.32 H new ATOM 0 HA GLU A 26 -17.100 -0.379 37.050 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.164 1.755 35.240 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.896 0.173 35.056 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -20.245 0.720 36.764 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.859 0.512 37.816 1.00 32.34 H new ATOM 409 N LEU A 27 -16.369 -0.423 33.826 1.00 43.20 N ATOM 410 CA LEU A 27 -16.043 -1.347 32.747 1.00 70.03 C ATOM 411 C LEU A 27 -14.805 -2.168 33.076 1.00 3.24 C ATOM 412 O LEU A 27 -14.849 -3.397 33.067 1.00 43.43 O ATOM 413 CB LEU A 27 -15.856 -0.595 31.427 1.00 42.54 C ATOM 414 CG LEU A 27 -17.012 -0.748 30.429 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.651 -0.131 29.086 1.00 14.22 C ATOM 416 CD2 LEU A 27 -17.388 -2.216 30.255 1.00 51.13 C ATOM 0 H LEU A 27 -16.351 0.563 33.567 1.00 43.20 H new ATOM 0 HA LEU A 27 -16.881 -2.036 32.636 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -15.721 0.464 31.645 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.938 -0.943 30.954 1.00 42.54 H new ATOM 0 HG LEU A 27 -17.875 -0.218 30.831 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -17.485 -0.251 28.394 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -16.439 0.930 29.218 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -15.770 -0.629 28.682 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.209 -2.299 29.543 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -16.527 -2.770 29.882 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -17.697 -2.629 31.215 1.00 51.13 H new ATOM 428 N GLY A 28 -13.703 -1.500 33.377 1.00 3.43 N ATOM 429 CA GLY A 28 -12.487 -2.219 33.710 1.00 70.33 C ATOM 430 C GLY A 28 -12.690 -3.221 34.825 1.00 53.45 C ATOM 431 O GLY A 28 -11.940 -4.186 34.938 1.00 64.53 O ATOM 0 H GLY A 28 -13.626 -0.483 33.398 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.121 -2.737 32.823 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.716 -1.506 34.003 1.00 70.33 H new ATOM 435 N LYS A 29 -13.712 -3.002 35.645 1.00 41.30 N ATOM 436 CA LYS A 29 -14.004 -3.911 36.744 1.00 11.31 C ATOM 437 C LYS A 29 -14.541 -5.237 36.215 1.00 74.12 C ATOM 438 O LYS A 29 -14.028 -6.301 36.556 1.00 50.10 O ATOM 439 CB LYS A 29 -15.008 -3.280 37.712 1.00 13.40 C ATOM 440 CG LYS A 29 -14.430 -3.022 39.095 1.00 74.43 C ATOM 441 CD LYS A 29 -15.370 -3.491 40.195 1.00 54.40 C ATOM 442 CE LYS A 29 -16.669 -2.700 40.191 1.00 33.14 C ATOM 443 NZ LYS A 29 -17.708 -3.342 39.339 1.00 73.52 N ATOM 0 H LYS A 29 -14.348 -2.208 35.570 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.076 -4.103 37.283 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.364 -2.339 37.293 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.874 -3.935 37.804 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -13.473 -3.535 39.191 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -14.234 -1.956 39.214 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -15.587 -4.551 40.062 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -14.881 -3.385 41.163 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -17.042 -2.609 41.211 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -16.477 -1.689 39.830 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -18.650 -3.154 39.739 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -17.657 -2.952 38.376 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -17.544 -4.369 39.306 1.00 73.52 H new ATOM 457 N ARG A 30 -15.576 -5.168 35.380 1.00 14.42 N ATOM 458 CA ARG A 30 -16.170 -6.375 34.815 1.00 74.43 C ATOM 459 C ARG A 30 -15.150 -7.147 33.980 1.00 51.04 C ATOM 460 O ARG A 30 -15.140 -8.374 33.991 1.00 65.32 O ATOM 461 CB ARG A 30 -17.413 -6.042 33.983 1.00 42.34 C ATOM 462 CG ARG A 30 -17.140 -5.146 32.792 1.00 12.00 C ATOM 463 CD ARG A 30 -18.432 -4.693 32.130 1.00 64.35 C ATOM 464 NE ARG A 30 -18.914 -3.423 32.675 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.023 -3.286 33.397 1.00 44.23 C ATOM 466 NH1 ARG A 30 -20.801 -4.331 33.652 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.359 -2.091 33.864 1.00 70.40 N ATOM 0 H ARG A 30 -16.016 -4.297 35.083 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.481 -7.011 35.644 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.860 -6.971 33.630 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.149 -5.559 34.626 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.569 -4.275 33.114 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.526 -5.680 32.067 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.272 -4.589 31.057 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.196 -5.458 32.266 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.362 -2.586 32.489 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.551 -5.252 33.293 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -21.649 -4.212 34.207 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -19.768 -1.283 33.669 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.208 -1.980 34.418 1.00 70.40 H new ATOM 481 N ILE A 31 -14.283 -6.433 33.264 1.00 42.52 N ATOM 482 CA ILE A 31 -13.259 -7.091 32.454 1.00 44.44 C ATOM 483 C ILE A 31 -12.248 -7.765 33.356 1.00 73.55 C ATOM 484 O ILE A 31 -11.899 -8.929 33.172 1.00 62.43 O ATOM 485 CB ILE A 31 -12.520 -6.104 31.529 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.512 -5.244 30.749 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.604 -6.854 30.575 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.084 -3.805 30.626 1.00 24.11 C ATOM 0 H ILE A 31 -14.268 -5.414 33.228 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.768 -7.825 31.828 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.912 -5.446 32.150 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.641 -5.664 29.752 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.484 -5.286 31.241 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.090 -6.142 29.929 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.870 -7.421 31.146 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.195 -7.537 29.965 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.833 -3.250 30.061 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.983 -3.369 31.620 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.126 -3.753 30.108 1.00 24.11 H new ATOM 500 N TYR A 32 -11.796 -7.022 34.347 1.00 64.50 N ATOM 501 CA TYR A 32 -10.839 -7.530 35.304 1.00 23.32 C ATOM 502 C TYR A 32 -11.487 -8.594 36.192 1.00 71.21 C ATOM 503 O TYR A 32 -10.793 -9.377 36.841 1.00 4.24 O ATOM 504 CB TYR A 32 -10.296 -6.365 36.141 1.00 61.31 C ATOM 505 CG TYR A 32 -9.935 -6.726 37.560 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.889 -6.683 38.568 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.645 -7.110 37.889 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.565 -7.014 39.869 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.313 -7.444 39.188 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.277 -7.394 40.174 1.00 75.01 C ATOM 511 OH TYR A 32 -8.948 -7.725 41.468 1.00 23.44 O ATOM 0 H TYR A 32 -12.081 -6.056 34.509 1.00 64.50 H new ATOM 0 HA TYR A 32 -10.009 -8.001 34.777 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.413 -5.961 35.647 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -11.042 -5.570 36.161 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.900 -6.386 38.331 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.888 -7.149 37.119 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.317 -6.975 40.643 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.304 -7.743 39.430 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.000 -7.971 41.512 1.00 23.44 H new ATOM 521 N ASN A 33 -12.822 -8.607 36.232 1.00 73.34 N ATOM 522 CA ASN A 33 -13.544 -9.572 37.065 1.00 54.32 C ATOM 523 C ASN A 33 -14.093 -10.761 36.270 1.00 71.34 C ATOM 524 O ASN A 33 -13.949 -11.910 36.687 1.00 44.01 O ATOM 525 CB ASN A 33 -14.689 -8.879 37.807 1.00 0.31 C ATOM 526 CG ASN A 33 -14.241 -8.288 39.129 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.514 -8.924 39.891 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.677 -7.064 39.410 1.00 61.25 N ATOM 0 H ASN A 33 -13.418 -7.969 35.705 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.819 -9.968 37.776 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.101 -8.089 37.179 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.491 -9.596 37.985 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.410 -6.616 40.287 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.279 -6.573 38.749 1.00 61.25 H new ATOM 535 N GLU A 34 -14.756 -10.483 35.153 1.00 11.44 N ATOM 536 CA GLU A 34 -15.360 -11.537 34.338 1.00 12.01 C ATOM 537 C GLU A 34 -14.488 -11.949 33.154 1.00 33.04 C ATOM 538 O GLU A 34 -14.665 -13.032 32.602 1.00 14.34 O ATOM 539 CB GLU A 34 -16.732 -11.087 33.835 1.00 14.34 C ATOM 540 CG GLU A 34 -17.811 -11.139 34.904 1.00 71.44 C ATOM 541 CD GLU A 34 -18.229 -12.558 35.241 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.837 -13.219 34.373 1.00 60.04 O ATOM 543 OE2 GLU A 34 -17.946 -13.008 36.372 1.00 51.51 O ATOM 0 H GLU A 34 -14.890 -9.539 34.790 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.462 -12.412 34.980 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.656 -10.068 33.455 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.029 -11.718 32.998 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.448 -10.647 35.806 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.682 -10.578 34.564 1.00 71.44 H new ATOM 550 N ILE A 35 -13.554 -11.096 32.756 1.00 41.23 N ATOM 551 CA ILE A 35 -12.680 -11.409 31.631 1.00 15.01 C ATOM 552 C ILE A 35 -11.271 -11.748 32.107 1.00 22.10 C ATOM 553 O ILE A 35 -10.657 -10.995 32.862 1.00 72.42 O ATOM 554 CB ILE A 35 -12.625 -10.246 30.614 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.027 -9.953 30.071 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.667 -10.562 29.469 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.802 -11.195 29.693 1.00 44.35 C ATOM 0 H ILE A 35 -13.382 -10.189 33.190 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.102 -12.282 31.132 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.253 -9.361 31.129 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.590 -9.398 30.822 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -13.941 -9.308 29.196 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.648 -9.727 28.769 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.665 -10.724 29.867 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.002 -11.461 28.952 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.785 -10.910 29.317 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.261 -11.740 28.919 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.920 -11.831 30.570 1.00 44.35 H new ATOM 569 N SER A 36 -10.766 -12.889 31.650 1.00 32.24 N ATOM 570 CA SER A 36 -9.429 -13.334 32.016 1.00 70.31 C ATOM 571 C SER A 36 -8.396 -12.757 31.055 1.00 1.11 C ATOM 572 O SER A 36 -8.743 -12.031 30.123 1.00 2.44 O ATOM 573 CB SER A 36 -9.352 -14.862 32.001 1.00 53.15 C ATOM 574 OG SER A 36 -9.744 -15.380 30.741 1.00 41.34 O ATOM 0 H SER A 36 -11.264 -13.522 31.025 1.00 32.24 H new ATOM 0 HA SER A 36 -9.214 -12.979 33.024 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.335 -15.180 32.228 1.00 53.15 H new ATOM 0 HB3 SER A 36 -9.995 -15.269 32.781 1.00 53.15 H new ATOM 0 HG SER A 36 -9.685 -16.358 30.757 1.00 41.34 H new ATOM 580 N LYS A 37 -7.130 -13.081 31.282 1.00 42.00 N ATOM 581 CA LYS A 37 -6.057 -12.593 30.426 1.00 52.25 C ATOM 582 C LYS A 37 -6.144 -13.219 29.037 1.00 52.31 C ATOM 583 O LYS A 37 -5.725 -12.619 28.046 1.00 14.05 O ATOM 584 CB LYS A 37 -4.697 -12.901 31.054 1.00 71.22 C ATOM 585 CG LYS A 37 -4.503 -12.266 32.422 1.00 2.54 C ATOM 586 CD LYS A 37 -3.581 -13.099 33.298 1.00 32.52 C ATOM 587 CE LYS A 37 -2.547 -12.234 34.000 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.260 -12.957 34.201 1.00 43.10 N ATOM 0 H LYS A 37 -6.821 -13.678 32.049 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.166 -11.513 30.326 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.584 -13.981 31.144 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -3.910 -12.553 30.386 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.088 -11.265 32.304 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.470 -12.154 32.913 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -4.171 -13.637 34.040 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -3.076 -13.848 32.688 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -2.369 -11.333 33.413 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -2.938 -11.913 34.966 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -0.582 -12.332 34.683 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -1.424 -13.803 34.783 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -0.873 -13.241 33.278 1.00 43.10 H new ATOM 602 N GLU A 38 -6.688 -14.431 28.972 1.00 41.40 N ATOM 603 CA GLU A 38 -6.830 -15.142 27.706 1.00 54.20 C ATOM 604 C GLU A 38 -7.771 -14.402 26.760 1.00 31.43 C ATOM 605 O GLU A 38 -7.465 -14.224 25.581 1.00 60.21 O ATOM 606 CB GLU A 38 -7.344 -16.561 27.951 1.00 41.40 C ATOM 607 CG GLU A 38 -6.772 -17.591 26.990 1.00 62.41 C ATOM 608 CD GLU A 38 -6.488 -18.922 27.659 1.00 30.14 C ATOM 609 OE1 GLU A 38 -6.100 -18.918 28.847 1.00 54.15 O ATOM 610 OE2 GLU A 38 -6.649 -19.967 26.995 1.00 72.33 O ATOM 0 H GLU A 38 -7.038 -14.942 29.783 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.847 -15.193 27.237 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.101 -16.855 28.972 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.431 -16.564 27.869 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.472 -17.744 26.169 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.851 -17.204 26.555 1.00 62.41 H new ATOM 617 N ALA A 39 -8.919 -13.975 27.281 1.00 51.41 N ATOM 618 CA ALA A 39 -9.904 -13.257 26.476 1.00 63.44 C ATOM 619 C ALA A 39 -9.440 -11.835 26.175 1.00 13.12 C ATOM 620 O ALA A 39 -9.609 -11.341 25.061 1.00 44.04 O ATOM 621 CB ALA A 39 -11.251 -13.237 27.182 1.00 12.31 C ATOM 0 H ALA A 39 -9.190 -14.113 28.255 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.012 -13.783 25.527 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -11.975 -12.699 26.570 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.596 -14.259 27.337 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.149 -12.739 28.146 1.00 12.31 H new ATOM 627 N TRP A 40 -8.856 -11.182 27.174 1.00 21.45 N ATOM 628 CA TRP A 40 -8.370 -9.818 27.010 1.00 64.40 C ATOM 629 C TRP A 40 -7.299 -9.754 25.926 1.00 11.24 C ATOM 630 O TRP A 40 -7.184 -8.758 25.212 1.00 3.30 O ATOM 631 CB TRP A 40 -7.809 -9.290 28.332 1.00 22.34 C ATOM 632 CG TRP A 40 -7.477 -7.830 28.301 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.234 -7.274 28.384 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.399 -6.740 28.185 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.325 -5.904 28.327 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.644 -5.550 28.205 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.788 -6.655 28.065 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.235 -4.290 28.113 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.373 -5.406 27.972 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.597 -4.239 27.996 1.00 72.40 C ATOM 0 H TRP A 40 -8.708 -11.575 28.104 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.209 -9.192 26.707 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.535 -9.472 29.124 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.911 -9.853 28.587 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.313 -7.829 28.480 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.539 -5.256 28.369 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.394 -7.549 28.045 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.640 -3.389 28.133 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.446 -5.328 27.879 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.085 -3.279 27.920 1.00 72.40 H new ATOM 651 N ALA A 41 -6.521 -10.825 25.807 1.00 22.20 N ATOM 652 CA ALA A 41 -5.463 -10.889 24.806 1.00 53.14 C ATOM 653 C ALA A 41 -6.052 -10.948 23.400 1.00 42.33 C ATOM 654 O ALA A 41 -5.461 -10.438 22.448 1.00 53.05 O ATOM 655 CB ALA A 41 -4.565 -12.092 25.061 1.00 23.01 C ATOM 0 H ALA A 41 -6.603 -11.658 26.390 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.861 -9.984 24.884 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.780 -12.127 24.306 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.114 -12.006 26.050 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.157 -13.006 25.010 1.00 23.01 H new ATOM 661 N GLN A 42 -7.226 -11.560 23.281 1.00 45.32 N ATOM 662 CA GLN A 42 -7.902 -11.672 21.993 1.00 24.31 C ATOM 663 C GLN A 42 -8.483 -10.324 21.587 1.00 23.11 C ATOM 664 O GLN A 42 -8.466 -9.954 20.414 1.00 73.11 O ATOM 665 CB GLN A 42 -9.015 -12.722 22.062 1.00 64.34 C ATOM 666 CG GLN A 42 -8.627 -13.976 22.827 1.00 12.21 C ATOM 667 CD GLN A 42 -9.404 -15.197 22.379 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.184 -15.138 21.429 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.195 -16.315 23.065 1.00 44.42 N ATOM 0 H GLN A 42 -7.729 -11.986 24.060 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.173 -11.984 21.245 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.892 -12.278 22.532 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.303 -13.000 21.048 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.561 -14.161 22.697 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.795 -13.814 23.892 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.539 -16.319 23.846 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.690 -17.170 22.811 1.00 44.42 H new ATOM 678 N TRP A 43 -8.992 -9.593 22.574 1.00 55.12 N ATOM 679 CA TRP A 43 -9.575 -8.282 22.330 1.00 54.33 C ATOM 680 C TRP A 43 -8.497 -7.287 21.908 1.00 32.20 C ATOM 681 O TRP A 43 -8.654 -6.574 20.922 1.00 45.45 O ATOM 682 CB TRP A 43 -10.300 -7.780 23.585 1.00 21.24 C ATOM 683 CG TRP A 43 -10.497 -6.293 23.616 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.983 -5.418 24.529 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.258 -5.506 22.690 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.375 -4.137 24.228 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.158 -4.164 23.104 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.010 -5.806 21.551 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.783 -3.125 22.420 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.631 -4.772 20.874 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.514 -3.447 21.310 1.00 23.41 C ATOM 0 H TRP A 43 -9.012 -9.888 23.550 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.299 -8.371 21.520 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.273 -8.268 23.651 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.733 -8.080 24.466 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.359 -5.693 25.366 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.124 -3.301 24.756 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.104 -6.825 21.206 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.694 -2.102 22.754 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.217 -4.991 19.993 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.011 -2.663 20.758 1.00 23.41 H new ATOM 702 N GLN A 44 -7.405 -7.242 22.666 1.00 51.52 N ATOM 703 CA GLN A 44 -6.303 -6.328 22.371 1.00 3.30 C ATOM 704 C GLN A 44 -5.898 -6.404 20.900 1.00 74.45 C ATOM 705 O GLN A 44 -5.696 -5.379 20.250 1.00 32.54 O ATOM 706 CB GLN A 44 -5.100 -6.645 23.263 1.00 73.54 C ATOM 707 CG GLN A 44 -5.401 -6.544 24.751 1.00 4.42 C ATOM 708 CD GLN A 44 -4.506 -5.548 25.461 1.00 41.44 C ATOM 709 OE1 GLN A 44 -3.284 -5.696 25.478 1.00 2.02 O ATOM 710 NE2 GLN A 44 -5.110 -4.524 26.053 1.00 2.33 N ATOM 0 H GLN A 44 -7.259 -7.827 23.489 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.645 -5.313 22.576 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.748 -7.652 23.040 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.287 -5.962 23.018 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.442 -6.253 24.888 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.281 -7.526 25.209 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -6.126 -4.439 26.015 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.558 -3.822 26.546 1.00 2.33 H new ATOM 719 N HIS A 45 -5.786 -7.623 20.381 1.00 5.13 N ATOM 720 CA HIS A 45 -5.410 -7.828 18.985 1.00 12.51 C ATOM 721 C HIS A 45 -6.505 -7.308 18.056 1.00 52.13 C ATOM 722 O HIS A 45 -6.223 -6.722 17.010 1.00 22.04 O ATOM 723 CB HIS A 45 -5.147 -9.315 18.722 1.00 61.45 C ATOM 724 CG HIS A 45 -5.096 -9.679 17.269 1.00 44.53 C ATOM 725 ND1 HIS A 45 -3.919 -9.785 16.557 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.089 -9.964 16.393 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.189 -10.117 15.307 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.497 -10.232 15.182 1.00 45.21 N ATOM 0 H HIS A 45 -5.950 -8.483 20.905 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.495 -7.271 18.784 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.202 -9.594 19.189 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -5.928 -9.902 19.206 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.148 -9.978 16.606 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.463 -10.268 14.522 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -5.990 -10.480 14.324 1.00 45.21 H new ATOM 736 N LYS A 46 -7.753 -7.522 18.451 1.00 55.53 N ATOM 737 CA LYS A 46 -8.897 -7.070 17.666 1.00 40.11 C ATOM 738 C LYS A 46 -9.171 -5.590 17.917 1.00 73.41 C ATOM 739 O LYS A 46 -9.848 -4.933 17.131 1.00 51.20 O ATOM 740 CB LYS A 46 -10.137 -7.896 18.015 1.00 2.14 C ATOM 741 CG LYS A 46 -11.336 -7.599 17.129 1.00 34.23 C ATOM 742 CD LYS A 46 -11.447 -8.598 15.990 1.00 13.22 C ATOM 743 CE LYS A 46 -12.399 -9.731 16.336 1.00 12.15 C ATOM 744 NZ LYS A 46 -12.729 -10.568 15.149 1.00 74.13 N ATOM 0 H LYS A 46 -8.001 -8.007 19.313 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.663 -7.207 16.610 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -9.892 -8.955 17.937 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.408 -7.708 19.054 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.247 -7.625 17.727 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.249 -6.591 16.723 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.796 -8.090 15.091 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -10.461 -9.005 15.764 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -11.951 -10.357 17.107 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.317 -9.318 16.754 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -13.381 -11.328 15.431 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.180 -9.977 14.422 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -11.857 -10.984 14.764 1.00 74.13 H new ATOM 758 N GLN A 47 -8.653 -5.076 19.024 1.00 52.34 N ATOM 759 CA GLN A 47 -8.847 -3.681 19.388 1.00 41.35 C ATOM 760 C GLN A 47 -7.985 -2.762 18.525 1.00 55.42 C ATOM 761 O GLN A 47 -8.471 -1.778 17.968 1.00 61.23 O ATOM 762 CB GLN A 47 -8.507 -3.480 20.867 1.00 50.34 C ATOM 763 CG GLN A 47 -8.613 -2.037 21.325 1.00 75.45 C ATOM 764 CD GLN A 47 -8.125 -1.836 22.746 1.00 54.04 C ATOM 765 OE1 GLN A 47 -8.913 -1.835 23.691 1.00 60.30 O ATOM 766 NE2 GLN A 47 -6.818 -1.659 22.903 1.00 24.34 N ATOM 0 H GLN A 47 -8.092 -5.609 19.689 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.892 -3.424 19.217 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.175 -4.094 21.471 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.493 -3.837 21.050 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.033 -1.404 20.653 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.651 -1.713 21.253 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -6.201 -1.667 22.091 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.431 -1.515 23.836 1.00 24.34 H new ATOM 775 N THR A 48 -6.699 -3.086 18.431 1.00 2.31 N ATOM 776 CA THR A 48 -5.759 -2.285 17.650 1.00 41.14 C ATOM 777 C THR A 48 -6.220 -2.113 16.205 1.00 32.32 C ATOM 778 O THR A 48 -6.024 -1.053 15.610 1.00 11.51 O ATOM 779 CB THR A 48 -4.370 -2.924 17.681 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.428 -2.105 17.010 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.326 -4.293 17.038 1.00 22.44 C ATOM 0 H THR A 48 -6.282 -3.898 18.886 1.00 2.31 H new ATOM 0 HA THR A 48 -5.716 -1.295 18.105 1.00 41.14 H new ATOM 0 HB THR A 48 -4.123 -3.029 18.738 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.545 -2.529 17.041 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.312 -4.689 17.094 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.007 -4.963 17.562 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.627 -4.214 15.993 1.00 22.44 H new ATOM 789 N MET A 49 -6.823 -3.153 15.633 1.00 63.31 N ATOM 790 CA MET A 49 -7.291 -3.090 14.250 1.00 24.21 C ATOM 791 C MET A 49 -8.546 -2.229 14.128 1.00 40.42 C ATOM 792 O MET A 49 -8.748 -1.556 13.119 1.00 5.35 O ATOM 793 CB MET A 49 -7.559 -4.496 13.702 1.00 25.43 C ATOM 794 CG MET A 49 -8.280 -5.410 14.676 1.00 13.45 C ATOM 795 SD MET A 49 -9.626 -6.331 13.905 1.00 74.20 S ATOM 796 CE MET A 49 -8.940 -7.986 13.892 1.00 41.13 C ATOM 0 H MET A 49 -6.998 -4.042 16.101 1.00 63.31 H new ATOM 0 HA MET A 49 -6.502 -2.628 13.657 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.151 -4.413 12.791 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.610 -4.954 13.424 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.565 -6.112 15.106 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.677 -4.816 15.499 1.00 13.45 H new ATOM 0 HE1 MET A 49 -9.727 -8.704 13.663 1.00 41.13 H new ATOM 0 HE2 MET A 49 -8.159 -8.050 13.134 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.516 -8.212 14.870 1.00 41.13 H new ATOM 806 N LEU A 50 -9.383 -2.245 15.162 1.00 10.12 N ATOM 807 CA LEU A 50 -10.609 -1.452 15.156 1.00 72.50 C ATOM 808 C LEU A 50 -10.281 0.036 15.110 1.00 24.05 C ATOM 809 O LEU A 50 -10.921 0.802 14.396 1.00 31.33 O ATOM 810 CB LEU A 50 -11.458 -1.764 16.392 1.00 35.02 C ATOM 811 CG LEU A 50 -12.110 -3.149 16.403 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.725 -3.439 17.765 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.160 -3.259 15.305 1.00 64.03 C ATOM 0 H LEU A 50 -9.237 -2.794 16.009 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.180 -1.714 14.265 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.830 -1.669 17.278 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.241 -1.011 16.474 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.337 -3.893 16.210 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.184 -4.428 17.754 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -11.948 -3.408 18.529 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.484 -2.689 17.989 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.611 -4.251 15.331 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.932 -2.506 15.463 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.690 -3.099 14.335 1.00 64.03 H new ATOM 825 N ILE A 51 -9.275 0.435 15.876 1.00 21.21 N ATOM 826 CA ILE A 51 -8.859 1.829 15.922 1.00 51.32 C ATOM 827 C ILE A 51 -8.295 2.278 14.577 1.00 51.43 C ATOM 828 O ILE A 51 -8.591 3.375 14.103 1.00 23.00 O ATOM 829 CB ILE A 51 -7.802 2.050 17.022 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.373 1.634 18.378 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.338 3.503 17.054 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.373 1.714 19.505 1.00 32.24 C ATOM 0 H ILE A 51 -8.732 -0.188 16.474 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.742 2.426 16.151 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.933 1.432 16.798 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.226 2.270 18.614 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.747 0.613 18.307 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.593 3.630 17.839 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.899 3.766 16.091 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.190 4.153 17.254 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -7.848 1.404 20.436 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.531 1.056 19.291 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.017 2.739 19.603 1.00 32.24 H new ATOM 844 N ASN A 52 -7.484 1.423 13.968 1.00 53.30 N ATOM 845 CA ASN A 52 -6.881 1.731 12.678 1.00 52.52 C ATOM 846 C ASN A 52 -7.906 1.625 11.553 1.00 23.31 C ATOM 847 O ASN A 52 -7.796 2.308 10.535 1.00 63.50 O ATOM 848 CB ASN A 52 -5.708 0.790 12.405 1.00 74.33 C ATOM 849 CG ASN A 52 -4.394 1.337 12.928 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.165 2.547 12.923 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.522 0.445 13.384 1.00 75.53 N ATOM 0 H ASN A 52 -7.229 0.511 14.346 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.517 2.758 12.713 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.906 -0.177 12.868 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.626 0.618 11.332 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.621 0.753 13.749 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.754 -0.548 13.369 1.00 75.53 H new ATOM 858 N GLU A 53 -8.902 0.763 11.742 1.00 22.35 N ATOM 859 CA GLU A 53 -9.942 0.568 10.738 1.00 2.12 C ATOM 860 C GLU A 53 -11.049 1.606 10.889 1.00 0.01 C ATOM 861 O GLU A 53 -11.381 2.317 9.940 1.00 44.44 O ATOM 862 CB GLU A 53 -10.530 -0.839 10.850 1.00 54.44 C ATOM 863 CG GLU A 53 -11.499 -1.181 9.731 1.00 72.53 C ATOM 864 CD GLU A 53 -10.902 -0.962 8.354 1.00 60.14 C ATOM 865 OE1 GLU A 53 -10.020 -1.753 7.959 1.00 64.12 O ATOM 866 OE2 GLU A 53 -11.314 0.001 7.673 1.00 3.25 O ATOM 0 H GLU A 53 -9.010 0.190 12.579 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.488 0.689 9.755 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.717 -1.565 10.851 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.044 -0.935 11.807 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.807 -2.222 9.828 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -12.397 -0.572 9.834 1.00 72.53 H new ATOM 873 N LYS A 54 -11.612 1.696 12.089 1.00 2.21 N ATOM 874 CA LYS A 54 -12.676 2.657 12.360 1.00 51.31 C ATOM 875 C LYS A 54 -12.107 4.063 12.530 1.00 13.10 C ATOM 876 O LYS A 54 -12.855 5.037 12.627 1.00 20.24 O ATOM 877 CB LYS A 54 -13.458 2.255 13.613 1.00 24.31 C ATOM 878 CG LYS A 54 -14.436 1.116 13.380 1.00 71.11 C ATOM 879 CD LYS A 54 -13.818 -0.227 13.723 1.00 44.52 C ATOM 880 CE LYS A 54 -14.255 -1.312 12.751 1.00 52.22 C ATOM 881 NZ LYS A 54 -15.482 -2.016 13.217 1.00 54.31 N ATOM 0 H LYS A 54 -11.351 1.117 12.887 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.354 2.657 11.506 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.754 1.965 14.393 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -14.005 3.122 13.984 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.329 1.272 13.986 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.754 1.116 12.337 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.731 -0.142 13.709 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -14.102 -0.510 14.736 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.440 -0.869 11.772 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -13.448 -2.034 12.626 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -15.373 -3.039 13.067 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -15.627 -1.828 14.230 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -16.304 -1.673 12.680 1.00 54.31 H new ATOM 895 N LYS A 55 -10.780 4.164 12.566 1.00 43.42 N ATOM 896 CA LYS A 55 -10.113 5.450 12.724 1.00 74.11 C ATOM 897 C LYS A 55 -10.464 6.083 14.067 1.00 31.21 C ATOM 898 O LYS A 55 -11.069 7.153 14.124 1.00 5.25 O ATOM 899 CB LYS A 55 -10.496 6.390 11.579 1.00 72.23 C ATOM 900 CG LYS A 55 -10.091 5.870 10.210 1.00 12.00 C ATOM 901 CD LYS A 55 -8.584 5.694 10.105 1.00 1.15 C ATOM 902 CE LYS A 55 -8.158 5.339 8.689 1.00 24.22 C ATOM 903 NZ LYS A 55 -7.115 6.268 8.171 1.00 61.25 N ATOM 0 H LYS A 55 -10.147 3.368 12.488 1.00 43.42 H new ATOM 0 HA LYS A 55 -9.036 5.282 12.697 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.574 6.549 11.595 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -10.028 7.361 11.744 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -10.584 4.916 10.021 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -10.432 6.563 9.441 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -8.087 6.614 10.415 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -8.260 4.910 10.790 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -7.776 4.318 8.670 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -9.027 5.366 8.031 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -6.853 5.991 7.203 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -7.487 7.239 8.164 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -6.276 6.224 8.783 1.00 61.25 H new ATOM 917 N LEU A 56 -10.076 5.411 15.148 1.00 30.41 N ATOM 918 CA LEU A 56 -10.343 5.900 16.491 1.00 52.41 C ATOM 919 C LEU A 56 -9.204 6.798 16.974 1.00 51.14 C ATOM 920 O LEU A 56 -8.307 7.141 16.205 1.00 44.51 O ATOM 921 CB LEU A 56 -10.543 4.714 17.436 1.00 75.54 C ATOM 922 CG LEU A 56 -11.830 3.918 17.200 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.005 2.857 18.271 1.00 32.03 C ATOM 924 CD2 LEU A 56 -13.037 4.846 17.164 1.00 14.14 C ATOM 0 H LEU A 56 -9.574 4.524 15.116 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.254 6.499 16.479 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.692 4.040 17.337 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.542 5.081 18.463 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.752 3.421 16.233 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.925 2.302 18.086 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.157 2.173 18.247 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.059 3.334 19.250 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.941 4.261 16.995 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.119 5.374 18.114 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.917 5.568 16.357 1.00 14.14 H new ATOM 936 N ASN A 57 -9.246 7.182 18.247 1.00 32.03 N ATOM 937 CA ASN A 57 -8.222 8.046 18.822 1.00 20.43 C ATOM 938 C ASN A 57 -8.190 7.910 20.343 1.00 1.23 C ATOM 939 O ASN A 57 -9.065 8.419 21.043 1.00 1.02 O ATOM 940 CB ASN A 57 -8.480 9.504 18.431 1.00 15.31 C ATOM 941 CG ASN A 57 -7.329 10.105 17.649 1.00 61.42 C ATOM 942 OD1 ASN A 57 -7.327 10.091 16.417 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.342 10.636 18.362 1.00 70.12 N ATOM 0 H ASN A 57 -9.980 6.907 18.900 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.254 7.738 18.428 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.390 9.562 17.834 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.651 10.094 19.331 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.540 11.055 17.890 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -6.386 10.625 19.381 1.00 70.12 H new ATOM 950 N MET A 58 -7.180 7.209 20.843 1.00 5.10 N ATOM 951 CA MET A 58 -7.030 6.990 22.280 1.00 4.22 C ATOM 952 C MET A 58 -6.867 8.309 23.030 1.00 4.32 C ATOM 953 O MET A 58 -7.083 8.370 24.241 1.00 31.45 O ATOM 954 CB MET A 58 -5.841 6.065 22.575 1.00 30.22 C ATOM 955 CG MET A 58 -4.658 6.244 21.634 1.00 34.55 C ATOM 956 SD MET A 58 -4.361 4.794 20.602 1.00 24.45 S ATOM 957 CE MET A 58 -5.926 4.656 19.741 1.00 24.34 C ATOM 0 H MET A 58 -6.450 6.780 20.274 1.00 5.10 H new ATOM 0 HA MET A 58 -7.942 6.508 22.631 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.506 6.239 23.598 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.179 5.030 22.522 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.835 7.109 20.995 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.763 6.458 22.219 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.901 3.792 19.078 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.731 4.534 20.466 1.00 24.34 H new ATOM 0 HE3 MET A 58 -6.100 5.558 19.155 1.00 24.34 H new ATOM 967 N MET A 59 -6.493 9.363 22.312 1.00 1.01 N ATOM 968 CA MET A 59 -6.316 10.674 22.927 1.00 74.53 C ATOM 969 C MET A 59 -7.663 11.366 23.120 1.00 71.54 C ATOM 970 O MET A 59 -7.797 12.262 23.952 1.00 44.32 O ATOM 971 CB MET A 59 -5.399 11.545 22.063 1.00 2.02 C ATOM 972 CG MET A 59 -3.965 11.604 22.564 1.00 24.22 C ATOM 973 SD MET A 59 -3.607 13.119 23.473 1.00 11.43 S ATOM 974 CE MET A 59 -2.313 13.829 22.458 1.00 3.04 C ATOM 0 H MET A 59 -6.307 9.336 21.309 1.00 1.01 H new ATOM 0 HA MET A 59 -5.855 10.534 23.905 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.403 11.161 21.043 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.803 12.557 22.025 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.774 10.745 23.208 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.285 11.525 21.716 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.987 14.774 22.893 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.469 13.141 22.410 1.00 3.04 H new ATOM 0 HE3 MET A 59 -2.695 14.005 21.452 1.00 3.04 H new ATOM 984 N ASN A 60 -8.660 10.939 22.346 1.00 72.24 N ATOM 985 CA ASN A 60 -9.996 11.512 22.432 1.00 13.25 C ATOM 986 C ASN A 60 -10.904 10.639 23.294 1.00 2.34 C ATOM 987 O ASN A 60 -10.930 9.419 23.144 1.00 73.54 O ATOM 988 CB ASN A 60 -10.598 11.665 21.034 1.00 54.23 C ATOM 989 CG ASN A 60 -11.794 12.596 21.015 1.00 60.15 C ATOM 990 OD1 ASN A 60 -12.296 13.001 22.064 1.00 45.25 O ATOM 991 ND2 ASN A 60 -12.258 12.941 19.820 1.00 43.22 N ATOM 0 H ASN A 60 -8.564 10.197 21.653 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.915 12.495 22.896 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.836 12.044 20.353 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -10.898 10.685 20.662 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -13.061 13.565 19.746 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -11.811 12.582 18.976 1.00 43.22 H new ATOM 998 N ALA A 61 -11.645 11.273 24.196 1.00 10.14 N ATOM 999 CA ALA A 61 -12.553 10.552 25.080 1.00 75.00 C ATOM 1000 C ALA A 61 -13.747 9.995 24.308 1.00 54.22 C ATOM 1001 O ALA A 61 -14.372 9.024 24.732 1.00 53.14 O ATOM 1002 CB ALA A 61 -13.028 11.462 26.202 1.00 34.33 C ATOM 0 H ALA A 61 -11.635 12.284 24.334 1.00 10.14 H new ATOM 0 HA ALA A 61 -12.009 9.712 25.512 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.705 10.911 26.855 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.170 11.808 26.778 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.550 12.320 25.778 1.00 34.33 H new ATOM 1008 N GLU A 62 -14.059 10.620 23.176 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.178 10.191 22.348 1.00 72.21 C ATOM 1010 C GLU A 62 -14.910 8.826 21.723 1.00 14.54 C ATOM 1011 O GLU A 62 -15.820 8.010 21.578 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.447 11.223 21.251 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.820 11.867 21.346 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.749 13.377 21.459 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.391 13.875 22.547 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -17.050 14.063 20.459 1.00 50.21 O ATOM 0 H GLU A 62 -13.551 11.426 22.812 1.00 55.43 H new ATOM 0 HA GLU A 62 -16.057 10.106 22.987 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.685 12.001 21.301 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -15.347 10.741 20.278 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -17.404 11.599 20.466 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.346 11.466 22.212 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.657 8.584 21.354 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.276 7.317 20.745 1.00 60.41 C ATOM 1025 C HIS A 63 -12.964 6.270 21.806 1.00 12.50 C ATOM 1026 O HIS A 63 -13.329 5.104 21.665 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.073 7.507 19.828 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.408 8.210 18.548 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.461 8.558 17.609 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.596 8.628 18.053 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -12.050 9.161 16.592 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.346 9.216 16.836 1.00 33.54 N ATOM 0 H HIS A 63 -12.890 9.247 21.466 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.120 6.963 20.153 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.308 8.075 20.357 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.643 6.532 19.597 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.561 8.520 18.526 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.556 9.544 15.711 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -14.048 9.628 16.221 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.295 6.693 22.876 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.946 5.785 23.962 1.00 25.03 C ATOM 1042 C ARG A 64 -13.182 5.019 24.428 1.00 71.40 C ATOM 1043 O ARG A 64 -13.147 3.800 24.595 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.341 6.562 25.135 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.146 5.870 25.770 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.875 6.111 24.972 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.354 4.879 24.382 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.821 3.888 25.090 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.736 3.975 26.412 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -7.369 2.802 24.476 1.00 33.54 N ATOM 0 H ARG A 64 -11.985 7.655 23.013 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.207 5.074 23.593 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.037 7.549 24.788 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.108 6.714 25.894 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.012 6.234 26.789 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.337 4.799 25.837 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.075 6.834 24.182 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.118 6.550 25.621 1.00 61.24 H new ATOM 0 HE ARG A 64 -8.402 4.774 23.369 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.081 4.806 26.892 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -7.326 3.210 26.948 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -7.430 2.727 23.461 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -6.960 2.042 25.019 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.277 5.750 24.624 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.533 5.151 25.054 1.00 31.33 C ATOM 1066 C LYS A 65 -16.148 4.322 23.930 1.00 61.24 C ATOM 1067 O LYS A 65 -16.991 3.460 24.172 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.514 6.235 25.506 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.787 7.291 24.448 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.256 7.321 24.053 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.620 8.618 23.347 1.00 42.14 C ATOM 1072 NZ LYS A 65 -18.958 8.393 21.915 1.00 60.30 N ATOM 0 H LYS A 65 -14.317 6.760 24.491 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.325 4.491 25.897 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.456 5.765 25.789 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.119 6.721 26.398 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.491 8.270 24.825 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.177 7.091 23.567 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.475 6.477 23.399 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.875 7.204 24.943 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -19.468 9.081 23.852 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -17.786 9.317 23.418 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -19.408 9.246 21.526 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -18.089 8.186 21.382 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -19.613 7.589 21.835 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.717 4.580 22.699 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.218 3.842 21.550 1.00 65.44 C ATOM 1088 C LEU A 66 -15.568 2.466 21.503 1.00 64.34 C ATOM 1089 O LEU A 66 -16.215 1.468 21.186 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.931 4.604 20.256 1.00 3.13 C ATOM 1091 CG LEU A 66 -17.026 4.501 19.191 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.772 5.820 19.063 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.432 4.090 17.852 1.00 64.02 C ATOM 0 H LEU A 66 -15.023 5.293 22.474 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.297 3.727 21.648 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.777 5.656 20.497 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.997 4.234 19.833 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.736 3.734 19.501 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.546 5.728 18.301 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -18.231 6.072 20.019 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -17.074 6.607 18.777 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -17.225 4.022 17.108 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.700 4.833 17.535 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.945 3.120 17.952 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.281 2.425 21.840 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.536 1.176 21.859 1.00 22.20 C ATOM 1107 C LEU A 67 -14.109 0.248 22.918 1.00 1.33 C ATOM 1108 O LEU A 67 -14.433 -0.907 22.641 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.056 1.444 22.150 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.076 1.114 21.019 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -9.687 0.899 21.587 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.525 -0.116 20.236 1.00 25.32 C ATOM 0 H LEU A 67 -13.735 3.245 22.103 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.622 0.702 20.881 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.942 2.497 22.406 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.770 0.869 23.031 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.056 1.957 20.329 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -8.995 0.665 20.778 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.357 1.805 22.095 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.708 0.072 22.297 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.808 -0.323 19.441 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.581 -0.974 20.906 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.507 0.069 19.800 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.244 0.772 24.133 1.00 45.01 N ATOM 1125 CA GLU A 68 -14.795 0.001 25.238 1.00 31.11 C ATOM 1126 C GLU A 68 -16.158 -0.572 24.852 1.00 33.44 C ATOM 1127 O GLU A 68 -16.602 -1.579 25.403 1.00 63.34 O ATOM 1128 CB GLU A 68 -14.899 0.877 26.495 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.172 1.702 26.583 1.00 52.31 C ATOM 1130 CD GLU A 68 -16.106 2.764 27.665 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -15.218 2.668 28.538 1.00 60.33 O ATOM 1132 OE2 GLU A 68 -16.945 3.689 27.639 1.00 41.25 O ATOM 0 H GLU A 68 -13.979 1.727 24.375 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.128 -0.832 25.460 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.834 0.237 27.375 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -14.042 1.550 26.526 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.358 2.180 25.621 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -17.016 1.041 26.779 1.00 52.31 H new ATOM 1139 N GLN A 69 -16.807 0.076 23.886 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.106 -0.365 23.400 1.00 31.33 C ATOM 1141 C GLN A 69 -17.955 -1.625 22.558 1.00 54.04 C ATOM 1142 O GLN A 69 -18.683 -2.601 22.741 1.00 73.31 O ATOM 1143 CB GLN A 69 -18.762 0.740 22.569 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.278 0.756 22.670 1.00 52.05 C ATOM 1145 CD GLN A 69 -20.953 0.252 21.409 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -20.998 0.949 20.395 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.481 -0.966 21.468 1.00 70.13 N ATOM 0 H GLN A 69 -16.449 0.912 23.425 1.00 45.54 H new ATOM 0 HA GLN A 69 -18.740 -0.588 24.258 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.374 1.706 22.893 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.477 0.616 21.524 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.588 0.141 23.514 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.614 1.772 22.876 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -21.420 -1.507 22.330 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -21.948 -1.360 20.651 1.00 70.13 H new ATOM 1156 N GLU A 70 -16.994 -1.597 21.637 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.735 -2.736 20.768 1.00 33.15 C ATOM 1158 C GLU A 70 -16.273 -3.935 21.585 1.00 4.01 C ATOM 1159 O GLU A 70 -16.755 -5.053 21.393 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.678 -2.377 19.721 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.102 -1.255 18.787 1.00 12.23 C ATOM 1162 CD GLU A 70 -17.028 -1.732 17.686 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -16.834 -2.865 17.196 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -17.947 -0.974 17.312 1.00 42.42 O ATOM 0 H GLU A 70 -16.383 -0.796 21.475 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.662 -2.997 20.258 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -14.759 -2.087 20.230 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.449 -3.263 19.130 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -16.600 -0.476 19.364 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.216 -0.804 18.341 1.00 12.23 H new ATOM 1171 N MET A 71 -15.337 -3.697 22.501 1.00 72.11 N ATOM 1172 CA MET A 71 -14.812 -4.760 23.353 1.00 42.11 C ATOM 1173 C MET A 71 -15.950 -5.597 23.939 1.00 0.22 C ATOM 1174 O MET A 71 -15.832 -6.816 24.068 1.00 15.12 O ATOM 1175 CB MET A 71 -13.934 -4.171 24.468 1.00 44.14 C ATOM 1176 CG MET A 71 -14.613 -4.080 25.827 1.00 2.34 C ATOM 1177 SD MET A 71 -13.591 -3.260 27.057 1.00 23.31 S ATOM 1178 CE MET A 71 -14.833 -2.328 27.949 1.00 23.35 C ATOM 0 H MET A 71 -14.927 -2.779 22.672 1.00 72.11 H new ATOM 0 HA MET A 71 -14.193 -5.416 22.742 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.036 -4.781 24.565 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.612 -3.173 24.170 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.554 -3.540 25.723 1.00 2.34 H new ATOM 0 HG3 MET A 71 -14.858 -5.084 26.174 1.00 2.34 H new ATOM 0 HE1 MET A 71 -14.401 -1.935 28.869 1.00 23.35 H new ATOM 0 HE2 MET A 71 -15.182 -1.502 27.330 1.00 23.35 H new ATOM 0 HE3 MET A 71 -15.672 -2.980 28.191 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.056 -4.937 24.277 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.215 -5.628 24.829 1.00 11.44 C ATOM 1190 C VAL A 72 -18.716 -6.681 23.851 1.00 55.10 C ATOM 1191 O VAL A 72 -18.758 -7.869 24.161 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.371 -4.656 25.140 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.582 -5.406 25.689 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -18.914 -3.583 26.115 1.00 54.21 C ATOM 0 H VAL A 72 -17.172 -3.928 24.178 1.00 73.42 H new ATOM 0 HA VAL A 72 -17.893 -6.096 25.759 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.670 -4.172 24.210 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.383 -4.698 25.900 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -20.925 -6.133 24.952 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.304 -5.924 26.607 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -19.742 -2.905 26.324 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.585 -4.051 27.043 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.087 -3.023 25.678 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.087 -6.227 22.658 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.586 -7.112 21.611 1.00 33.53 C ATOM 1206 C ASN A 73 -18.631 -8.280 21.364 1.00 45.13 C ATOM 1207 O ASN A 73 -19.020 -9.300 20.795 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.784 -6.324 20.316 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.049 -6.721 19.582 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.997 -7.228 20.183 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -21.069 -6.490 18.275 1.00 43.31 N ATOM 0 H ASN A 73 -19.051 -5.243 22.391 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.541 -7.520 21.943 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -19.820 -5.259 20.545 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.925 -6.481 19.664 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -21.893 -6.735 17.726 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -20.260 -6.068 17.819 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.379 -8.123 21.782 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.376 -9.161 21.592 1.00 43.41 C ATOM 1220 C PHE A 74 -16.245 -10.055 22.826 1.00 53.44 C ATOM 1221 O PHE A 74 -16.233 -11.281 22.715 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.023 -8.527 21.267 1.00 54.04 C ATOM 1223 CG PHE A 74 -13.998 -9.509 20.779 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.143 -10.124 19.547 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -12.890 -9.817 21.553 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -13.202 -11.028 19.093 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -11.946 -10.720 21.104 1.00 1.20 C ATOM 1228 CZ PHE A 74 -12.102 -11.326 19.873 1.00 14.42 C ATOM 0 H PHE A 74 -17.036 -7.286 22.254 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.700 -9.785 20.759 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.165 -7.757 20.509 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.641 -8.030 22.159 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.002 -9.894 18.934 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -12.764 -9.346 22.517 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -13.326 -11.501 18.130 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -11.086 -10.952 21.715 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.365 -12.032 19.521 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.119 -9.435 23.996 1.00 52.12 N ATOM 1239 CA LEU A 75 -15.956 -10.180 25.243 1.00 13.42 C ATOM 1240 C LEU A 75 -17.239 -10.224 26.075 1.00 31.53 C ATOM 1241 O LEU A 75 -17.613 -11.277 26.596 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.833 -9.556 26.074 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.581 -9.166 25.281 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.158 -7.742 25.610 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.446 -10.141 25.564 1.00 74.13 C ATOM 0 H LEU A 75 -16.126 -8.421 24.108 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.706 -11.206 24.973 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.221 -8.667 26.572 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.545 -10.260 26.855 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.819 -9.214 24.218 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.267 -7.485 25.036 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.965 -7.055 25.355 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.939 -7.664 26.675 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.565 -9.849 24.993 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.210 -10.126 26.628 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.750 -11.147 25.274 1.00 74.13 H new ATOM 1257 N PHE A 76 -17.893 -9.077 26.222 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.115 -8.986 27.020 1.00 61.03 C ATOM 1259 C PHE A 76 -20.366 -9.004 26.168 1.00 53.21 C ATOM 1260 O PHE A 76 -21.389 -8.431 26.540 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.109 -7.715 27.828 1.00 51.14 C ATOM 1262 CG PHE A 76 -17.887 -7.565 28.665 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -16.716 -7.084 28.110 1.00 2.43 C ATOM 1264 CD2 PHE A 76 -17.902 -7.916 30.002 1.00 44.41 C ATOM 1265 CE1 PHE A 76 -15.581 -6.953 28.874 1.00 14.30 C ATOM 1266 CE2 PHE A 76 -16.769 -7.789 30.771 1.00 73.25 C ATOM 1267 CZ PHE A 76 -15.608 -7.307 30.204 1.00 10.35 C ATOM 0 H PHE A 76 -17.599 -8.196 25.800 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.130 -9.861 27.670 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.188 -6.862 27.154 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -19.988 -7.696 28.472 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -16.693 -6.808 27.066 1.00 2.43 H new ATOM 0 HD2 PHE A 76 -18.811 -8.293 30.446 1.00 44.41 H new ATOM 0 HE1 PHE A 76 -14.671 -6.574 28.432 1.00 14.30 H new ATOM 0 HE2 PHE A 76 -16.788 -8.066 31.815 1.00 73.25 H new ATOM 0 HZ PHE A 76 -14.717 -7.207 30.806 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.275 -9.646 25.031 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.397 -9.741 24.110 1.00 1.24 C ATOM 1279 C GLU A 77 -22.532 -10.564 24.714 1.00 64.35 C ATOM 1280 O GLU A 77 -22.978 -11.547 24.121 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.940 -10.375 22.795 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.782 -9.973 21.596 1.00 55.43 C ATOM 1283 CD GLU A 77 -22.036 -11.129 20.648 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -22.772 -12.062 21.034 1.00 31.00 O ATOM 1285 OE2 GLU A 77 -21.497 -11.104 19.522 1.00 30.04 O ATOM 0 H GLU A 77 -19.429 -10.118 24.712 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.767 -8.734 23.918 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.903 -10.096 22.609 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.965 -11.460 22.897 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.736 -9.576 21.943 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.280 -9.170 21.057 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.000 -10.168 25.896 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.076 -10.896 26.536 1.00 62.55 C ATOM 1294 C GLY A 78 -24.409 -10.406 27.933 1.00 72.21 C ATOM 1295 O GLY A 78 -25.572 -10.145 28.238 1.00 64.15 O ATOM 0 H GLY A 78 -22.654 -9.362 26.416 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.969 -10.824 25.915 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.807 -11.951 26.587 1.00 62.55 H new