USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 748 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 55 ASN : amide:sc= 0.259 X(o=0.27,f=-0.0044) USER MOD Set 1.2: A 61 TYR OH : rot -178:sc= 0.0144 USER MOD Set 2.1: A 24 GLN : amide:sc= -3.85! C(o=-5.5!,f=-0.35!) USER MOD Set 2.2: A 67 ASN : amide:sc= -1.63! K(o=-5.5!,f=-0.35) USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.053) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 150:sc= -1.82! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -85:sc= -0.245 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -102:sc= 1.12 USER MOD Single : A 28 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.423 K(o=-0.42,f=-2.1!) USER MOD Single : A 35 THR OG1 : rot -6:sc= 0.0406 USER MOD Single : A 37 MET CE :methyl 158:sc= -0.0619 (180deg=-0.188) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -164:sc=-0.00184 (180deg=-0.292) USER MOD Single : A 50 ASN : amide:sc= -2.25! C(o=-2.2!,f=-3.5!) USER MOD Single : A 54 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -16.9! C(o=-17!,f=-26!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 74:sc= 0.728 USER MOD Single : A 81 GLN : amide:sc= -0.0648 X(o=-0.065,f=-0.51) USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= -2.41! (180deg=-2.66!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.449 23.558 0.835 1.00 0.00 N ATOM 2 CA ALA A 1 -6.913 24.125 2.133 1.00 0.00 C ATOM 3 C ALA A 1 -7.309 22.985 3.073 1.00 0.00 C ATOM 4 O ALA A 1 -7.006 23.003 4.249 1.00 0.00 O ATOM 5 CB ALA A 1 -8.122 25.030 1.890 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.069 24.321 0.239 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.706 22.852 1.010 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.249 23.105 0.348 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.109 24.706 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.462 25.445 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.840 25.841 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.926 24.449 1.439 1.00 0.00 H new ATOM 13 N GLU A 2 -7.983 21.991 2.562 1.00 0.00 N ATOM 14 CA GLU A 2 -8.394 20.848 3.426 1.00 0.00 C ATOM 15 C GLU A 2 -7.594 19.606 3.033 1.00 0.00 C ATOM 16 O GLU A 2 -6.785 19.638 2.127 1.00 0.00 O ATOM 17 CB GLU A 2 -9.889 20.576 3.243 1.00 0.00 C ATOM 18 CG GLU A 2 -10.195 20.352 1.760 1.00 0.00 C ATOM 19 CD GLU A 2 -11.316 21.294 1.315 1.00 0.00 C ATOM 20 OE1 GLU A 2 -11.680 22.163 2.090 1.00 0.00 O ATOM 21 OE2 GLU A 2 -11.793 21.131 0.203 1.00 0.00 O ATOM 0 H GLU A 2 -8.267 21.921 1.585 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.200 21.092 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.182 19.700 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.470 21.417 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.300 20.529 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.490 19.316 1.592 1.00 0.00 H new ATOM 28 N VAL A 3 -7.809 18.509 3.707 1.00 0.00 N ATOM 29 CA VAL A 3 -7.053 17.273 3.366 1.00 0.00 C ATOM 30 C VAL A 3 -8.029 16.168 2.956 1.00 0.00 C ATOM 31 O VAL A 3 -8.140 15.150 3.609 1.00 0.00 O ATOM 32 CB VAL A 3 -6.246 16.816 4.582 1.00 0.00 C ATOM 33 CG1 VAL A 3 -5.106 15.906 4.122 1.00 0.00 C ATOM 34 CG2 VAL A 3 -5.667 18.039 5.297 1.00 0.00 C ATOM 0 H VAL A 3 -8.473 18.416 4.476 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.376 17.482 2.538 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.895 16.269 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.530 15.579 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.518 15.036 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.456 16.453 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.091 17.715 6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.017 18.586 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.479 18.688 5.623 1.00 0.00 H new ATOM 44 N ARG A 4 -8.734 16.359 1.875 1.00 0.00 N ATOM 45 CA ARG A 4 -9.697 15.316 1.422 1.00 0.00 C ATOM 46 C ARG A 4 -8.915 14.087 0.942 1.00 0.00 C ATOM 47 O ARG A 4 -8.200 14.161 -0.037 1.00 0.00 O ATOM 48 CB ARG A 4 -10.540 15.864 0.266 1.00 0.00 C ATOM 49 CG ARG A 4 -9.651 16.672 -0.680 1.00 0.00 C ATOM 50 CD ARG A 4 -10.207 16.582 -2.103 1.00 0.00 C ATOM 51 NE ARG A 4 -11.693 16.692 -2.064 1.00 0.00 N ATOM 52 CZ ARG A 4 -12.266 17.858 -2.188 1.00 0.00 C ATOM 53 NH1 ARG A 4 -11.796 18.730 -3.038 1.00 0.00 N ATOM 54 NH2 ARG A 4 -13.310 18.153 -1.463 1.00 0.00 N ATOM 0 H ARG A 4 -8.685 17.191 1.287 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.352 15.039 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.012 15.043 -0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.342 16.493 0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -9.611 17.713 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -8.630 16.290 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.789 17.378 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.914 15.637 -2.560 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.263 15.855 -1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.980 18.500 -3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.244 19.641 -3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.679 17.472 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.757 19.064 -1.560 1.00 0.00 H new ATOM 68 N PRO A 5 -9.065 12.990 1.646 1.00 0.00 N ATOM 69 CA PRO A 5 -8.373 11.733 1.307 1.00 0.00 C ATOM 70 C PRO A 5 -9.060 11.037 0.127 1.00 0.00 C ATOM 71 O PRO A 5 -10.191 11.341 -0.197 1.00 0.00 O ATOM 72 CB PRO A 5 -8.503 10.897 2.583 1.00 0.00 C ATOM 73 CG PRO A 5 -9.717 11.465 3.355 1.00 0.00 C ATOM 74 CD PRO A 5 -9.933 12.899 2.839 1.00 0.00 C ATOM 0 HA PRO A 5 -7.337 11.886 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.653 9.844 2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.596 10.962 3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.604 10.854 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.529 11.464 4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.978 13.078 2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.656 13.639 3.590 1.00 0.00 H new ATOM 82 N PRO A 6 -8.348 10.120 -0.479 1.00 0.00 N ATOM 83 CA PRO A 6 -8.854 9.351 -1.630 1.00 0.00 C ATOM 84 C PRO A 6 -9.792 8.235 -1.157 1.00 0.00 C ATOM 85 O PRO A 6 -10.990 8.417 -1.066 1.00 0.00 O ATOM 86 CB PRO A 6 -7.583 8.767 -2.255 1.00 0.00 C ATOM 87 CG PRO A 6 -6.512 8.752 -1.138 1.00 0.00 C ATOM 88 CD PRO A 6 -6.971 9.767 -0.074 1.00 0.00 C ATOM 0 HA PRO A 6 -9.431 9.955 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.764 7.761 -2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.254 9.371 -3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.416 7.756 -0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.534 9.023 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.949 9.333 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.324 10.644 -0.055 1.00 0.00 H new ATOM 96 N PHE A 7 -9.257 7.082 -0.859 1.00 0.00 N ATOM 97 CA PHE A 7 -10.121 5.959 -0.396 1.00 0.00 C ATOM 98 C PHE A 7 -9.340 5.078 0.584 1.00 0.00 C ATOM 99 O PHE A 7 -8.221 5.380 0.949 1.00 0.00 O ATOM 100 CB PHE A 7 -10.554 5.119 -1.600 1.00 0.00 C ATOM 101 CG PHE A 7 -12.008 5.387 -1.903 1.00 0.00 C ATOM 102 CD1 PHE A 7 -13.005 4.873 -1.065 1.00 0.00 C ATOM 103 CD2 PHE A 7 -12.359 6.153 -3.020 1.00 0.00 C ATOM 104 CE1 PHE A 7 -14.353 5.124 -1.347 1.00 0.00 C ATOM 105 CE2 PHE A 7 -13.707 6.403 -3.303 1.00 0.00 C ATOM 106 CZ PHE A 7 -14.704 5.889 -2.465 1.00 0.00 C ATOM 0 H PHE A 7 -8.261 6.870 -0.916 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.001 6.363 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.940 5.363 -2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.404 4.060 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -12.734 4.283 -0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.589 6.552 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -15.122 4.727 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.978 6.992 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 7 -15.744 6.083 -2.681 1.00 0.00 H new ATOM 116 N THR A 8 -9.923 3.991 1.014 1.00 0.00 N ATOM 117 CA THR A 8 -9.216 3.093 1.971 1.00 0.00 C ATOM 118 C THR A 8 -7.782 2.860 1.490 1.00 0.00 C ATOM 119 O THR A 8 -7.516 2.798 0.306 1.00 0.00 O ATOM 120 CB THR A 8 -9.953 1.753 2.053 1.00 0.00 C ATOM 121 OG1 THR A 8 -11.286 1.975 2.494 1.00 0.00 O ATOM 122 CG2 THR A 8 -9.236 0.831 3.040 1.00 0.00 C ATOM 0 H THR A 8 -10.858 3.687 0.744 1.00 0.00 H new ATOM 0 HA THR A 8 -9.196 3.557 2.957 1.00 0.00 H new ATOM 0 HB THR A 8 -9.966 1.286 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.760 1.119 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.763 -0.122 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.214 0.661 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.220 1.295 4.026 1.00 0.00 H new ATOM 130 N TYR A 9 -6.857 2.734 2.401 1.00 0.00 N ATOM 131 CA TYR A 9 -5.440 2.509 1.999 1.00 0.00 C ATOM 132 C TYR A 9 -5.279 1.090 1.448 1.00 0.00 C ATOM 133 O TYR A 9 -4.584 0.868 0.476 1.00 0.00 O ATOM 134 CB TYR A 9 -4.533 2.689 3.218 1.00 0.00 C ATOM 135 CG TYR A 9 -4.378 4.162 3.514 1.00 0.00 C ATOM 136 CD1 TYR A 9 -3.451 4.927 2.796 1.00 0.00 C ATOM 137 CD2 TYR A 9 -5.165 4.764 4.505 1.00 0.00 C ATOM 138 CE1 TYR A 9 -3.310 6.293 3.068 1.00 0.00 C ATOM 139 CE2 TYR A 9 -5.023 6.130 4.777 1.00 0.00 C ATOM 140 CZ TYR A 9 -4.096 6.894 4.059 1.00 0.00 C ATOM 141 OH TYR A 9 -3.957 8.240 4.327 1.00 0.00 O ATOM 0 H TYR A 9 -7.021 2.777 3.407 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.164 3.228 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.958 2.176 4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.558 2.240 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.845 4.463 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.881 4.174 5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.595 6.883 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.629 6.594 5.541 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.577 8.497 5.041 1.00 0.00 H new ATOM 151 N ALA A 10 -5.911 0.126 2.060 1.00 0.00 N ATOM 152 CA ALA A 10 -5.788 -1.276 1.567 1.00 0.00 C ATOM 153 C ALA A 10 -6.117 -1.325 0.072 1.00 0.00 C ATOM 154 O ALA A 10 -5.441 -1.976 -0.699 1.00 0.00 O ATOM 155 CB ALA A 10 -6.760 -2.175 2.334 1.00 0.00 C ATOM 0 H ALA A 10 -6.507 0.248 2.879 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.768 -1.627 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.670 -3.200 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.524 -2.143 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.780 -1.824 2.178 1.00 0.00 H new ATOM 161 N SER A 11 -7.151 -0.644 -0.342 1.00 0.00 N ATOM 162 CA SER A 11 -7.519 -0.656 -1.787 1.00 0.00 C ATOM 163 C SER A 11 -6.584 0.278 -2.558 1.00 0.00 C ATOM 164 O SER A 11 -6.325 0.083 -3.729 1.00 0.00 O ATOM 165 CB SER A 11 -8.964 -0.182 -1.951 1.00 0.00 C ATOM 166 OG SER A 11 -9.366 0.519 -0.782 1.00 0.00 O ATOM 0 H SER A 11 -7.756 -0.081 0.256 1.00 0.00 H new ATOM 0 HA SER A 11 -7.424 -1.669 -2.178 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.049 0.465 -2.824 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.621 -1.035 -2.121 1.00 0.00 H new ATOM 0 HG SER A 11 -10.028 1.201 -1.021 1.00 0.00 H new ATOM 172 N LEU A 12 -6.074 1.289 -1.911 1.00 0.00 N ATOM 173 CA LEU A 12 -5.154 2.230 -2.610 1.00 0.00 C ATOM 174 C LEU A 12 -3.773 1.582 -2.738 1.00 0.00 C ATOM 175 O LEU A 12 -3.222 1.481 -3.816 1.00 0.00 O ATOM 176 CB LEU A 12 -5.040 3.525 -1.800 1.00 0.00 C ATOM 177 CG LEU A 12 -5.735 4.661 -2.553 1.00 0.00 C ATOM 178 CD1 LEU A 12 -4.940 5.001 -3.814 1.00 0.00 C ATOM 179 CD2 LEU A 12 -7.148 4.222 -2.947 1.00 0.00 C ATOM 0 H LEU A 12 -6.254 1.504 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.544 2.457 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.495 3.394 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.991 3.772 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.791 5.540 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.436 5.810 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.933 5.313 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.883 4.122 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.644 5.031 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.090 3.343 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.717 3.979 -2.050 1.00 0.00 H new ATOM 191 N ILE A 13 -3.212 1.140 -1.646 1.00 0.00 N ATOM 192 CA ILE A 13 -1.870 0.496 -1.703 1.00 0.00 C ATOM 193 C ILE A 13 -1.952 -0.789 -2.531 1.00 0.00 C ATOM 194 O ILE A 13 -1.056 -1.108 -3.288 1.00 0.00 O ATOM 195 CB ILE A 13 -1.404 0.163 -0.283 1.00 0.00 C ATOM 196 CG1 ILE A 13 -1.497 1.416 0.591 1.00 0.00 C ATOM 197 CG2 ILE A 13 0.046 -0.322 -0.325 1.00 0.00 C ATOM 198 CD1 ILE A 13 -1.638 1.006 2.058 1.00 0.00 C ATOM 0 H ILE A 13 -3.626 1.197 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.159 1.179 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.038 -0.619 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.607 2.032 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.351 2.021 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.380 -0.560 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.114 -1.213 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.680 0.461 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.704 1.898 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.541 0.408 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.770 0.419 2.357 1.00 0.00 H new ATOM 210 N ARG A 14 -3.018 -1.530 -2.396 1.00 0.00 N ATOM 211 CA ARG A 14 -3.151 -2.791 -3.179 1.00 0.00 C ATOM 212 C ARG A 14 -3.133 -2.468 -4.674 1.00 0.00 C ATOM 213 O ARG A 14 -2.603 -3.213 -5.474 1.00 0.00 O ATOM 214 CB ARG A 14 -4.472 -3.480 -2.823 1.00 0.00 C ATOM 215 CG ARG A 14 -4.569 -4.818 -3.561 1.00 0.00 C ATOM 216 CD ARG A 14 -6.010 -5.331 -3.502 1.00 0.00 C ATOM 217 NE ARG A 14 -6.182 -6.453 -4.467 1.00 0.00 N ATOM 218 CZ ARG A 14 -7.380 -6.821 -4.832 1.00 0.00 C ATOM 219 NH1 ARG A 14 -7.956 -6.248 -5.853 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.003 -7.762 -4.175 1.00 0.00 N ATOM 0 H ARG A 14 -3.801 -1.317 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.320 -3.454 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.531 -3.642 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.312 -2.841 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.257 -4.697 -4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.894 -5.545 -3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.246 -5.667 -2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.704 -4.524 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.364 -6.933 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.470 -5.512 -6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.892 -6.536 -6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.553 -8.210 -3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.939 -8.049 -4.460 1.00 0.00 H new ATOM 234 N GLN A 15 -3.710 -1.363 -5.060 1.00 0.00 N ATOM 235 CA GLN A 15 -3.727 -0.995 -6.503 1.00 0.00 C ATOM 236 C GLN A 15 -2.295 -0.800 -7.003 1.00 0.00 C ATOM 237 O GLN A 15 -1.874 -1.413 -7.964 1.00 0.00 O ATOM 238 CB GLN A 15 -4.517 0.302 -6.691 1.00 0.00 C ATOM 239 CG GLN A 15 -4.833 0.495 -8.176 1.00 0.00 C ATOM 240 CD GLN A 15 -4.836 1.988 -8.507 1.00 0.00 C ATOM 241 OE1 GLN A 15 -4.058 2.444 -9.321 1.00 0.00 O ATOM 242 NE2 GLN A 15 -5.685 2.774 -7.905 1.00 0.00 N ATOM 0 H GLN A 15 -4.171 -0.699 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.201 -1.794 -7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.441 0.265 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.941 1.149 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.093 -0.022 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.803 0.057 -8.412 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.338 2.391 -7.222 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.696 3.772 -8.118 1.00 0.00 H new ATOM 251 N ALA A 16 -1.537 0.048 -6.362 1.00 0.00 N ATOM 252 CA ALA A 16 -0.133 0.275 -6.808 1.00 0.00 C ATOM 253 C ALA A 16 0.587 -1.072 -6.917 1.00 0.00 C ATOM 254 O ALA A 16 1.407 -1.282 -7.788 1.00 0.00 O ATOM 255 CB ALA A 16 0.589 1.160 -5.789 1.00 0.00 C ATOM 0 H ALA A 16 -1.829 0.592 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.133 0.768 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.616 1.326 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.074 2.117 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.592 0.667 -4.817 1.00 0.00 H new ATOM 261 N ILE A 17 0.278 -1.984 -6.039 1.00 0.00 N ATOM 262 CA ILE A 17 0.930 -3.325 -6.083 1.00 0.00 C ATOM 263 C ILE A 17 0.378 -4.118 -7.273 1.00 0.00 C ATOM 264 O ILE A 17 1.110 -4.786 -7.976 1.00 0.00 O ATOM 265 CB ILE A 17 0.634 -4.060 -4.769 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.628 -3.595 -3.701 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.775 -5.573 -4.964 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.885 -3.331 -2.390 1.00 0.00 C ATOM 0 H ILE A 17 -0.401 -1.859 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 17 2.008 -3.219 -6.202 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.386 -3.836 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.396 -4.354 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.136 -2.689 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.562 -6.082 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.072 -5.909 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.792 -5.806 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.593 -3.000 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.134 -2.557 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.398 -4.247 -2.057 1.00 0.00 H new ATOM 280 N LEU A 18 -0.906 -4.056 -7.500 1.00 0.00 N ATOM 281 CA LEU A 18 -1.496 -4.813 -8.640 1.00 0.00 C ATOM 282 C LEU A 18 -0.881 -4.318 -9.955 1.00 0.00 C ATOM 283 O LEU A 18 -0.882 -5.013 -10.951 1.00 0.00 O ATOM 284 CB LEU A 18 -3.025 -4.628 -8.647 1.00 0.00 C ATOM 285 CG LEU A 18 -3.427 -3.442 -9.531 1.00 0.00 C ATOM 286 CD1 LEU A 18 -3.483 -3.893 -10.993 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.806 -2.931 -9.105 1.00 0.00 C ATOM 0 H LEU A 18 -1.570 -3.515 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.277 -5.875 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.504 -5.537 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.381 -4.466 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.693 -2.643 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.769 -3.051 -11.623 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.503 -4.259 -11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.217 -4.691 -11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.092 -2.088 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.540 -3.730 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.770 -2.611 -8.064 1.00 0.00 H new ATOM 299 N GLU A 19 -0.354 -3.125 -9.962 1.00 0.00 N ATOM 300 CA GLU A 19 0.260 -2.591 -11.210 1.00 0.00 C ATOM 301 C GLU A 19 1.345 -3.558 -11.690 1.00 0.00 C ATOM 302 O GLU A 19 1.673 -3.610 -12.858 1.00 0.00 O ATOM 303 CB GLU A 19 0.883 -1.220 -10.930 1.00 0.00 C ATOM 304 CG GLU A 19 1.600 -0.718 -12.186 1.00 0.00 C ATOM 305 CD GLU A 19 0.571 -0.432 -13.282 1.00 0.00 C ATOM 306 OE1 GLU A 19 -0.600 -0.329 -12.955 1.00 0.00 O ATOM 307 OE2 GLU A 19 0.971 -0.321 -14.429 1.00 0.00 O ATOM 0 H GLU A 19 -0.322 -2.497 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.505 -2.487 -11.979 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.110 -0.512 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.587 -1.291 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.165 0.186 -11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.317 -1.463 -12.531 1.00 0.00 H new ATOM 314 N SER A 20 1.905 -4.325 -10.794 1.00 0.00 N ATOM 315 CA SER A 20 2.968 -5.289 -11.195 1.00 0.00 C ATOM 316 C SER A 20 2.323 -6.530 -11.823 1.00 0.00 C ATOM 317 O SER A 20 1.144 -6.769 -11.650 1.00 0.00 O ATOM 318 CB SER A 20 3.770 -5.701 -9.961 1.00 0.00 C ATOM 319 OG SER A 20 3.085 -6.747 -9.284 1.00 0.00 O ATOM 0 H SER A 20 1.672 -4.325 -9.801 1.00 0.00 H new ATOM 0 HA SER A 20 3.631 -4.819 -11.921 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.766 -6.033 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.902 -4.847 -9.297 1.00 0.00 H new ATOM 0 HG SER A 20 2.416 -6.363 -8.679 1.00 0.00 H new ATOM 325 N PRO A 21 3.123 -7.283 -12.535 1.00 0.00 N ATOM 326 CA PRO A 21 2.668 -8.513 -13.207 1.00 0.00 C ATOM 327 C PRO A 21 2.547 -9.657 -12.195 1.00 0.00 C ATOM 328 O PRO A 21 2.156 -10.757 -12.532 1.00 0.00 O ATOM 329 CB PRO A 21 3.775 -8.797 -14.225 1.00 0.00 C ATOM 330 CG PRO A 21 5.040 -8.072 -13.706 1.00 0.00 C ATOM 331 CD PRO A 21 4.554 -6.979 -12.737 1.00 0.00 C ATOM 0 HA PRO A 21 1.687 -8.413 -13.672 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.952 -9.869 -14.318 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.496 -8.433 -15.214 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.706 -8.770 -13.200 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.603 -7.636 -14.531 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.104 -7.008 -11.796 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.694 -5.983 -13.158 1.00 0.00 H new ATOM 339 N GLU A 22 2.874 -9.402 -10.960 1.00 0.00 N ATOM 340 CA GLU A 22 2.778 -10.461 -9.926 1.00 0.00 C ATOM 341 C GLU A 22 2.201 -9.860 -8.644 1.00 0.00 C ATOM 342 O GLU A 22 2.388 -10.375 -7.562 1.00 0.00 O ATOM 343 CB GLU A 22 4.168 -11.036 -9.649 1.00 0.00 C ATOM 344 CG GLU A 22 4.667 -11.794 -10.882 1.00 0.00 C ATOM 345 CD GLU A 22 6.195 -11.740 -10.931 1.00 0.00 C ATOM 346 OE1 GLU A 22 6.726 -10.647 -11.048 1.00 0.00 O ATOM 347 OE2 GLU A 22 6.810 -12.791 -10.852 1.00 0.00 O ATOM 0 H GLU A 22 3.206 -8.498 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 22 2.126 -11.260 -10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.861 -10.233 -9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.131 -11.705 -8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.330 -12.830 -10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.248 -11.354 -11.787 1.00 0.00 H new ATOM 354 N LYS A 23 1.488 -8.775 -8.762 1.00 0.00 N ATOM 355 CA LYS A 23 0.887 -8.136 -7.571 1.00 0.00 C ATOM 356 C LYS A 23 1.893 -8.111 -6.418 1.00 0.00 C ATOM 357 O LYS A 23 1.537 -8.275 -5.268 1.00 0.00 O ATOM 358 CB LYS A 23 -0.355 -8.915 -7.160 1.00 0.00 C ATOM 359 CG LYS A 23 -1.001 -9.558 -8.391 1.00 0.00 C ATOM 360 CD LYS A 23 -0.555 -11.018 -8.499 1.00 0.00 C ATOM 361 CE LYS A 23 -1.785 -11.920 -8.605 1.00 0.00 C ATOM 362 NZ LYS A 23 -1.379 -13.338 -8.389 1.00 0.00 N ATOM 0 H LYS A 23 1.297 -8.302 -9.646 1.00 0.00 H new ATOM 0 HA LYS A 23 0.612 -7.109 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.089 -9.684 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.067 -8.250 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.087 -9.503 -8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.716 -9.012 -9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.083 -11.151 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.038 -11.294 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.530 -11.627 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.248 -11.808 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.215 -13.953 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.683 -13.614 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.956 -13.438 -7.444 1.00 0.00 H new ATOM 376 N GLN A 24 3.141 -7.883 -6.716 1.00 0.00 N ATOM 377 CA GLN A 24 4.170 -7.821 -5.641 1.00 0.00 C ATOM 378 C GLN A 24 5.034 -6.587 -5.849 1.00 0.00 C ATOM 379 O GLN A 24 5.425 -6.272 -6.956 1.00 0.00 O ATOM 380 CB GLN A 24 5.077 -9.060 -5.665 1.00 0.00 C ATOM 381 CG GLN A 24 4.916 -9.845 -6.972 1.00 0.00 C ATOM 382 CD GLN A 24 6.285 -10.342 -7.435 1.00 0.00 C ATOM 383 OE1 GLN A 24 6.718 -11.411 -7.052 1.00 0.00 O ATOM 384 NE2 GLN A 24 6.991 -9.606 -8.250 1.00 0.00 N ATOM 0 H GLN A 24 3.494 -7.736 -7.662 1.00 0.00 H new ATOM 0 HA GLN A 24 3.656 -7.780 -4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.117 -8.754 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.837 -9.705 -4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.242 -10.688 -6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.469 -9.211 -7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.628 -8.709 -8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.906 -9.928 -8.565 1.00 0.00 H new ATOM 393 N LEU A 25 5.343 -5.883 -4.799 1.00 0.00 N ATOM 394 CA LEU A 25 6.181 -4.679 -4.961 1.00 0.00 C ATOM 395 C LEU A 25 6.909 -4.350 -3.659 1.00 0.00 C ATOM 396 O LEU A 25 6.363 -4.475 -2.581 1.00 0.00 O ATOM 397 CB LEU A 25 5.297 -3.505 -5.369 1.00 0.00 C ATOM 398 CG LEU A 25 5.281 -3.373 -6.893 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.387 -2.199 -7.296 1.00 0.00 C ATOM 400 CD2 LEU A 25 6.702 -3.128 -7.401 1.00 0.00 C ATOM 0 H LEU A 25 5.051 -6.092 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 25 6.927 -4.867 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.283 -3.655 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.669 -2.584 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 25 4.893 -4.293 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.376 -2.106 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.373 -2.374 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.774 -1.280 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.689 -3.034 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.092 -2.210 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.339 -3.965 -7.117 1.00 0.00 H new ATOM 412 N THR A 26 8.145 -3.937 -3.752 1.00 0.00 N ATOM 413 CA THR A 26 8.921 -3.606 -2.521 1.00 0.00 C ATOM 414 C THR A 26 8.349 -2.343 -1.872 1.00 0.00 C ATOM 415 O THR A 26 7.632 -1.585 -2.493 1.00 0.00 O ATOM 416 CB THR A 26 10.387 -3.370 -2.891 1.00 0.00 C ATOM 417 OG1 THR A 26 10.517 -2.105 -3.525 1.00 0.00 O ATOM 418 CG2 THR A 26 10.858 -4.471 -3.843 1.00 0.00 C ATOM 0 H THR A 26 8.652 -3.814 -4.629 1.00 0.00 H new ATOM 0 HA THR A 26 8.851 -4.435 -1.817 1.00 0.00 H new ATOM 0 HB THR A 26 10.997 -3.388 -1.988 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.597 -2.231 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.902 -4.302 -4.106 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.759 -5.441 -3.355 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.249 -4.456 -4.747 1.00 0.00 H new ATOM 426 N LEU A 27 8.663 -2.114 -0.625 1.00 0.00 N ATOM 427 CA LEU A 27 8.136 -0.902 0.066 1.00 0.00 C ATOM 428 C LEU A 27 8.619 0.354 -0.663 1.00 0.00 C ATOM 429 O LEU A 27 7.862 1.275 -0.897 1.00 0.00 O ATOM 430 CB LEU A 27 8.640 -0.873 1.509 1.00 0.00 C ATOM 431 CG LEU A 27 7.603 -0.185 2.404 1.00 0.00 C ATOM 432 CD1 LEU A 27 7.054 1.063 1.707 1.00 0.00 C ATOM 433 CD2 LEU A 27 6.455 -1.157 2.690 1.00 0.00 C ATOM 0 H LEU A 27 9.261 -2.713 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 27 7.046 -0.931 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.822 -1.888 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.590 -0.342 1.562 1.00 0.00 H new ATOM 0 HG LEU A 27 8.077 0.110 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.318 1.545 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.871 1.757 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.582 0.777 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.716 -0.670 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.987 -1.453 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.844 -2.041 3.196 1.00 0.00 H new ATOM 445 N ASN A 28 9.872 0.399 -1.029 1.00 0.00 N ATOM 446 CA ASN A 28 10.388 1.599 -1.744 1.00 0.00 C ATOM 447 C ASN A 28 9.453 1.912 -2.910 1.00 0.00 C ATOM 448 O ASN A 28 9.052 3.041 -3.114 1.00 0.00 O ATOM 449 CB ASN A 28 11.795 1.315 -2.277 1.00 0.00 C ATOM 450 CG ASN A 28 12.835 1.853 -1.293 1.00 0.00 C ATOM 451 OD1 ASN A 28 12.515 2.173 -0.165 1.00 0.00 O ATOM 452 ND2 ASN A 28 14.078 1.967 -1.676 1.00 0.00 N ATOM 0 H ASN A 28 10.556 -0.339 -0.864 1.00 0.00 H new ATOM 0 HA ASN A 28 10.431 2.448 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.932 0.243 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.927 1.783 -3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.780 2.325 -1.029 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.347 1.698 -2.623 1.00 0.00 H new ATOM 459 N GLU A 29 9.095 0.916 -3.672 1.00 0.00 N ATOM 460 CA GLU A 29 8.177 1.150 -4.818 1.00 0.00 C ATOM 461 C GLU A 29 6.879 1.777 -4.307 1.00 0.00 C ATOM 462 O GLU A 29 6.273 2.592 -4.972 1.00 0.00 O ATOM 463 CB GLU A 29 7.863 -0.184 -5.500 1.00 0.00 C ATOM 464 CG GLU A 29 8.626 -0.273 -6.824 1.00 0.00 C ATOM 465 CD GLU A 29 9.879 -1.132 -6.634 1.00 0.00 C ATOM 466 OE1 GLU A 29 9.806 -2.094 -5.888 1.00 0.00 O ATOM 467 OE2 GLU A 29 10.889 -0.812 -7.239 1.00 0.00 O ATOM 0 H GLU A 29 9.399 -0.050 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 29 8.651 1.822 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.144 -1.012 -4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.791 -0.269 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.989 -0.706 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.904 0.725 -7.164 1.00 0.00 H new ATOM 474 N ILE A 30 6.449 1.406 -3.129 1.00 0.00 N ATOM 475 CA ILE A 30 5.189 1.984 -2.578 1.00 0.00 C ATOM 476 C ILE A 30 5.425 3.456 -2.210 1.00 0.00 C ATOM 477 O ILE A 30 4.660 4.327 -2.573 1.00 0.00 O ATOM 478 CB ILE A 30 4.765 1.179 -1.337 1.00 0.00 C ATOM 479 CG1 ILE A 30 3.947 -0.038 -1.779 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.906 2.040 -0.406 1.00 0.00 C ATOM 481 CD1 ILE A 30 4.658 -0.750 -2.932 1.00 0.00 C ATOM 0 H ILE A 30 6.916 0.729 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 30 4.394 1.931 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 30 5.661 0.861 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.816 -0.723 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.951 0.276 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.615 1.454 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.478 2.910 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.012 2.369 -0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.072 -1.615 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.765 -0.064 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.644 -1.079 -2.604 1.00 0.00 H new ATOM 493 N TYR A 31 6.475 3.737 -1.490 1.00 0.00 N ATOM 494 CA TYR A 31 6.755 5.147 -1.094 1.00 0.00 C ATOM 495 C TYR A 31 7.031 5.989 -2.344 1.00 0.00 C ATOM 496 O TYR A 31 6.628 7.131 -2.437 1.00 0.00 O ATOM 497 CB TYR A 31 7.981 5.178 -0.176 1.00 0.00 C ATOM 498 CG TYR A 31 8.382 6.610 0.091 1.00 0.00 C ATOM 499 CD1 TYR A 31 7.827 7.302 1.174 1.00 0.00 C ATOM 500 CD2 TYR A 31 9.312 7.243 -0.742 1.00 0.00 C ATOM 501 CE1 TYR A 31 8.201 8.627 1.424 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.687 8.568 -0.493 1.00 0.00 C ATOM 503 CZ TYR A 31 9.132 9.261 0.590 1.00 0.00 C ATOM 504 OH TYR A 31 9.501 10.568 0.836 1.00 0.00 O ATOM 0 H TYR A 31 7.153 3.051 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 31 5.892 5.556 -0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.757 4.672 0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.808 4.639 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.110 6.813 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.740 6.709 -1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.772 9.161 2.259 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.404 9.056 -1.136 1.00 0.00 H new ATOM 0 HH TYR A 31 10.155 10.855 0.165 1.00 0.00 H new ATOM 514 N ASN A 32 7.725 5.436 -3.299 1.00 0.00 N ATOM 515 CA ASN A 32 8.043 6.200 -4.540 1.00 0.00 C ATOM 516 C ASN A 32 6.758 6.703 -5.211 1.00 0.00 C ATOM 517 O ASN A 32 6.596 7.884 -5.442 1.00 0.00 O ATOM 518 CB ASN A 32 8.801 5.293 -5.510 1.00 0.00 C ATOM 519 CG ASN A 32 10.193 4.998 -4.949 1.00 0.00 C ATOM 520 OD1 ASN A 32 10.707 5.748 -4.143 1.00 0.00 O ATOM 521 ND2 ASN A 32 10.831 3.929 -5.345 1.00 0.00 N ATOM 0 H ASN A 32 8.088 4.483 -3.274 1.00 0.00 H new ATOM 0 HA ASN A 32 8.657 7.061 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.253 4.363 -5.659 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.884 5.774 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.760 3.724 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.400 3.299 -6.022 1.00 0.00 H new ATOM 528 N TRP A 33 5.849 5.823 -5.546 1.00 0.00 N ATOM 529 CA TRP A 33 4.598 6.279 -6.222 1.00 0.00 C ATOM 530 C TRP A 33 3.758 7.130 -5.264 1.00 0.00 C ATOM 531 O TRP A 33 3.175 8.123 -5.655 1.00 0.00 O ATOM 532 CB TRP A 33 3.785 5.064 -6.704 1.00 0.00 C ATOM 533 CG TRP A 33 2.929 4.531 -5.595 1.00 0.00 C ATOM 534 CD1 TRP A 33 3.337 3.643 -4.665 1.00 0.00 C ATOM 535 CD2 TRP A 33 1.537 4.835 -5.287 1.00 0.00 C ATOM 536 NE1 TRP A 33 2.289 3.381 -3.803 1.00 0.00 N ATOM 537 CE2 TRP A 33 1.156 4.092 -4.146 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.576 5.675 -5.882 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -0.131 4.178 -3.611 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.720 5.763 -5.346 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.073 5.017 -4.213 1.00 0.00 C ATOM 0 H TRP A 33 5.918 4.819 -5.383 1.00 0.00 H new ATOM 0 HA TRP A 33 4.867 6.888 -7.085 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.159 5.350 -7.549 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.460 4.284 -7.057 1.00 0.00 H new ATOM 0 HD1 TRP A 33 4.323 3.207 -4.604 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.345 2.741 -3.011 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.837 6.255 -6.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -0.397 3.600 -2.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.449 6.410 -5.810 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.071 5.090 -3.806 1.00 0.00 H new ATOM 552 N PHE A 34 3.683 6.754 -4.018 1.00 0.00 N ATOM 553 CA PHE A 34 2.869 7.548 -3.054 1.00 0.00 C ATOM 554 C PHE A 34 3.231 9.033 -3.167 1.00 0.00 C ATOM 555 O PHE A 34 2.369 9.886 -3.213 1.00 0.00 O ATOM 556 CB PHE A 34 3.149 7.060 -1.631 1.00 0.00 C ATOM 557 CG PHE A 34 2.022 6.162 -1.177 1.00 0.00 C ATOM 558 CD1 PHE A 34 0.727 6.677 -1.036 1.00 0.00 C ATOM 559 CD2 PHE A 34 2.274 4.814 -0.893 1.00 0.00 C ATOM 560 CE1 PHE A 34 -0.315 5.845 -0.613 1.00 0.00 C ATOM 561 CE2 PHE A 34 1.231 3.981 -0.470 1.00 0.00 C ATOM 562 CZ PHE A 34 -0.063 4.497 -0.330 1.00 0.00 C ATOM 0 H PHE A 34 4.148 5.935 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 34 1.811 7.419 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.095 6.519 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.246 7.910 -0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.533 7.717 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.273 4.417 -1.000 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.313 6.242 -0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.425 2.941 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.868 3.855 -0.003 1.00 0.00 H new ATOM 572 N THR A 35 4.493 9.354 -3.204 1.00 0.00 N ATOM 573 CA THR A 35 4.893 10.788 -3.301 1.00 0.00 C ATOM 574 C THR A 35 4.586 11.338 -4.700 1.00 0.00 C ATOM 575 O THR A 35 4.118 12.450 -4.849 1.00 0.00 O ATOM 576 CB THR A 35 6.395 10.912 -3.031 1.00 0.00 C ATOM 577 OG1 THR A 35 7.096 9.965 -3.826 1.00 0.00 O ATOM 578 CG2 THR A 35 6.673 10.644 -1.551 1.00 0.00 C ATOM 0 H THR A 35 5.265 8.688 -3.171 1.00 0.00 H new ATOM 0 HA THR A 35 4.330 11.361 -2.565 1.00 0.00 H new ATOM 0 HB THR A 35 6.729 11.918 -3.284 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.454 9.384 -4.285 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.742 10.732 -1.360 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.134 11.370 -0.942 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.341 9.638 -1.295 1.00 0.00 H new ATOM 586 N ARG A 36 4.870 10.585 -5.726 1.00 0.00 N ATOM 587 CA ARG A 36 4.621 11.079 -7.115 1.00 0.00 C ATOM 588 C ARG A 36 3.120 11.123 -7.429 1.00 0.00 C ATOM 589 O ARG A 36 2.687 11.845 -8.306 1.00 0.00 O ATOM 590 CB ARG A 36 5.315 10.147 -8.111 1.00 0.00 C ATOM 591 CG ARG A 36 6.796 10.514 -8.211 1.00 0.00 C ATOM 592 CD ARG A 36 7.117 10.949 -9.643 1.00 0.00 C ATOM 593 NE ARG A 36 8.425 10.368 -10.057 1.00 0.00 N ATOM 594 CZ ARG A 36 8.523 9.727 -11.189 1.00 0.00 C ATOM 595 NH1 ARG A 36 8.097 10.280 -12.291 1.00 0.00 N ATOM 596 NH2 ARG A 36 9.050 8.533 -11.218 1.00 0.00 N ATOM 0 H ARG A 36 5.265 9.646 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 36 5.019 12.090 -7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.208 9.111 -7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.843 10.228 -9.090 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.030 11.318 -7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.413 9.660 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.329 10.618 -10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.154 12.037 -9.704 1.00 0.00 H new ATOM 0 HE ARG A 36 9.243 10.471 -9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.687 11.214 -12.268 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.174 9.779 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.385 8.102 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.127 8.031 -12.103 1.00 0.00 H new ATOM 610 N MET A 37 2.324 10.351 -6.745 1.00 0.00 N ATOM 611 CA MET A 37 0.861 10.346 -7.037 1.00 0.00 C ATOM 612 C MET A 37 0.165 11.509 -6.326 1.00 0.00 C ATOM 613 O MET A 37 -0.543 12.283 -6.937 1.00 0.00 O ATOM 614 CB MET A 37 0.253 9.025 -6.564 1.00 0.00 C ATOM 615 CG MET A 37 -1.047 8.762 -7.327 1.00 0.00 C ATOM 616 SD MET A 37 -0.661 8.308 -9.036 1.00 0.00 S ATOM 617 CE MET A 37 -1.447 9.730 -9.834 1.00 0.00 C ATOM 0 H MET A 37 2.621 9.724 -5.997 1.00 0.00 H new ATOM 0 HA MET A 37 0.719 10.458 -8.112 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.956 8.209 -6.729 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.057 9.065 -5.493 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.609 7.962 -6.845 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.678 9.651 -7.309 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.017 9.875 -10.825 1.00 0.00 H new ATOM 0 HE2 MET A 37 -2.518 9.549 -9.926 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.280 10.623 -9.232 1.00 0.00 H new ATOM 627 N PHE A 38 0.342 11.632 -5.040 1.00 0.00 N ATOM 628 CA PHE A 38 -0.335 12.743 -4.307 1.00 0.00 C ATOM 629 C PHE A 38 0.713 13.734 -3.787 1.00 0.00 C ATOM 630 O PHE A 38 1.488 13.404 -2.911 1.00 0.00 O ATOM 631 CB PHE A 38 -1.126 12.182 -3.117 1.00 0.00 C ATOM 632 CG PHE A 38 -1.464 10.726 -3.358 1.00 0.00 C ATOM 633 CD1 PHE A 38 -0.548 9.726 -3.015 1.00 0.00 C ATOM 634 CD2 PHE A 38 -2.690 10.382 -3.928 1.00 0.00 C ATOM 635 CE1 PHE A 38 -0.862 8.380 -3.245 1.00 0.00 C ATOM 636 CE2 PHE A 38 -3.006 9.038 -4.159 1.00 0.00 C ATOM 637 CZ PHE A 38 -2.092 8.037 -3.818 1.00 0.00 C ATOM 0 H PHE A 38 0.921 11.018 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.016 13.250 -4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.541 12.281 -2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.041 12.757 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.401 9.991 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.397 11.155 -4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.155 7.608 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.956 8.775 -4.601 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.335 7.000 -3.997 1.00 0.00 H new ATOM 647 N PRO A 39 0.701 14.927 -4.332 1.00 0.00 N ATOM 648 CA PRO A 39 1.639 15.987 -3.929 1.00 0.00 C ATOM 649 C PRO A 39 1.181 16.623 -2.613 1.00 0.00 C ATOM 650 O PRO A 39 1.970 17.167 -1.867 1.00 0.00 O ATOM 651 CB PRO A 39 1.559 16.996 -5.078 1.00 0.00 C ATOM 652 CG PRO A 39 0.199 16.755 -5.776 1.00 0.00 C ATOM 653 CD PRO A 39 -0.243 15.329 -5.395 1.00 0.00 C ATOM 0 HA PRO A 39 2.653 15.624 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.628 18.017 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.384 16.856 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.539 17.489 -5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.295 16.855 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.273 15.313 -5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.191 14.654 -6.250 1.00 0.00 H new ATOM 661 N TYR A 40 -0.093 16.562 -2.326 1.00 0.00 N ATOM 662 CA TYR A 40 -0.596 17.169 -1.063 1.00 0.00 C ATOM 663 C TYR A 40 -0.416 16.185 0.095 1.00 0.00 C ATOM 664 O TYR A 40 -0.323 16.575 1.242 1.00 0.00 O ATOM 665 CB TYR A 40 -2.077 17.531 -1.217 1.00 0.00 C ATOM 666 CG TYR A 40 -2.916 16.275 -1.245 1.00 0.00 C ATOM 667 CD1 TYR A 40 -3.143 15.557 -0.065 1.00 0.00 C ATOM 668 CD2 TYR A 40 -3.477 15.835 -2.450 1.00 0.00 C ATOM 669 CE1 TYR A 40 -3.928 14.399 -0.090 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.263 14.678 -2.475 1.00 0.00 C ATOM 671 CZ TYR A 40 -4.489 13.959 -1.295 1.00 0.00 C ATOM 672 OH TYR A 40 -5.265 12.818 -1.319 1.00 0.00 O ATOM 0 H TYR A 40 -0.803 16.120 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.028 18.074 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.391 18.170 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.227 18.099 -2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.712 15.897 0.865 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.303 16.389 -3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.101 13.844 0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.696 14.339 -3.405 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.577 12.654 -2.233 1.00 0.00 H new ATOM 682 N PHE A 41 -0.355 14.915 -0.193 1.00 0.00 N ATOM 683 CA PHE A 41 -0.169 13.914 0.896 1.00 0.00 C ATOM 684 C PHE A 41 1.310 13.503 0.947 1.00 0.00 C ATOM 685 O PHE A 41 1.690 12.601 1.666 1.00 0.00 O ATOM 686 CB PHE A 41 -1.097 12.706 0.633 1.00 0.00 C ATOM 687 CG PHE A 41 -0.337 11.394 0.638 1.00 0.00 C ATOM 688 CD1 PHE A 41 0.606 11.123 -0.359 1.00 0.00 C ATOM 689 CD2 PHE A 41 -0.587 10.444 1.637 1.00 0.00 C ATOM 690 CE1 PHE A 41 1.293 9.911 -0.361 1.00 0.00 C ATOM 691 CE2 PHE A 41 0.105 9.228 1.637 1.00 0.00 C ATOM 692 CZ PHE A 41 1.044 8.960 0.637 1.00 0.00 C ATOM 0 H PHE A 41 -0.426 14.527 -1.133 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.435 14.336 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.877 12.676 1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.594 12.833 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.802 11.855 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.315 10.651 2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.019 9.704 -1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.086 8.497 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.577 8.021 0.634 1.00 0.00 H new ATOM 702 N ARG A 42 2.145 14.171 0.195 1.00 0.00 N ATOM 703 CA ARG A 42 3.595 13.832 0.205 1.00 0.00 C ATOM 704 C ARG A 42 4.304 14.730 1.221 1.00 0.00 C ATOM 705 O ARG A 42 5.444 15.112 1.041 1.00 0.00 O ATOM 706 CB ARG A 42 4.184 14.074 -1.187 1.00 0.00 C ATOM 707 CG ARG A 42 5.661 13.677 -1.193 1.00 0.00 C ATOM 708 CD ARG A 42 6.514 14.882 -1.594 1.00 0.00 C ATOM 709 NE ARG A 42 6.405 15.103 -3.063 1.00 0.00 N ATOM 710 CZ ARG A 42 7.442 15.516 -3.737 1.00 0.00 C ATOM 711 NH1 ARG A 42 8.118 16.552 -3.323 1.00 0.00 N ATOM 712 NH2 ARG A 42 7.804 14.891 -4.824 1.00 0.00 N ATOM 0 H ARG A 42 1.883 14.937 -0.426 1.00 0.00 H new ATOM 0 HA ARG A 42 3.730 12.785 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.638 13.494 -1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.078 15.124 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.957 13.322 -0.206 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.824 12.855 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.182 15.770 -1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.555 14.712 -1.318 1.00 0.00 H new ATOM 0 HE ARG A 42 5.520 14.932 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.835 17.039 -2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.929 16.875 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.276 14.080 -5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.615 15.214 -5.352 1.00 0.00 H new ATOM 726 N ARG A 43 3.632 15.076 2.284 1.00 0.00 N ATOM 727 CA ARG A 43 4.257 15.956 3.310 1.00 0.00 C ATOM 728 C ARG A 43 3.859 15.481 4.709 1.00 0.00 C ATOM 729 O ARG A 43 4.687 15.339 5.585 1.00 0.00 O ATOM 730 CB ARG A 43 3.770 17.393 3.107 1.00 0.00 C ATOM 731 CG ARG A 43 4.971 18.340 3.055 1.00 0.00 C ATOM 732 CD ARG A 43 4.501 19.737 2.649 1.00 0.00 C ATOM 733 NE ARG A 43 3.358 20.147 3.512 1.00 0.00 N ATOM 734 CZ ARG A 43 2.781 21.302 3.328 1.00 0.00 C ATOM 735 NH1 ARG A 43 2.564 21.740 2.117 1.00 0.00 N ATOM 736 NH2 ARG A 43 2.417 22.022 4.355 1.00 0.00 N ATOM 0 H ARG A 43 2.675 14.786 2.486 1.00 0.00 H new ATOM 0 HA ARG A 43 5.342 15.915 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.196 17.466 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.103 17.680 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.460 18.378 4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.708 17.971 2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.319 20.450 2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.199 19.741 1.602 1.00 0.00 H new ATOM 0 HE ARG A 43 3.026 19.523 4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.846 21.179 1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.113 22.644 1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.584 21.681 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.966 22.925 4.210 1.00 0.00 H new ATOM 750 N ASN A 44 2.595 15.239 4.929 1.00 0.00 N ATOM 751 CA ASN A 44 2.149 14.780 6.275 1.00 0.00 C ATOM 752 C ASN A 44 2.262 13.257 6.364 1.00 0.00 C ATOM 753 O ASN A 44 1.273 12.551 6.381 1.00 0.00 O ATOM 754 CB ASN A 44 0.695 15.201 6.503 1.00 0.00 C ATOM 755 CG ASN A 44 0.661 16.527 7.266 1.00 0.00 C ATOM 756 OD1 ASN A 44 1.440 16.738 8.176 1.00 0.00 O ATOM 757 ND2 ASN A 44 -0.213 17.436 6.934 1.00 0.00 N ATOM 0 H ASN A 44 1.853 15.339 4.236 1.00 0.00 H new ATOM 0 HA ASN A 44 2.782 15.233 7.039 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.182 15.306 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.167 14.432 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.243 18.323 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.867 17.260 6.171 1.00 0.00 H new ATOM 764 N ALA A 45 3.461 12.745 6.424 1.00 0.00 N ATOM 765 CA ALA A 45 3.639 11.268 6.515 1.00 0.00 C ATOM 766 C ALA A 45 3.243 10.789 7.911 1.00 0.00 C ATOM 767 O ALA A 45 2.963 9.627 8.122 1.00 0.00 O ATOM 768 CB ALA A 45 5.102 10.909 6.249 1.00 0.00 C ATOM 0 H ALA A 45 4.326 13.286 6.414 1.00 0.00 H new ATOM 0 HA ALA A 45 3.006 10.783 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.230 9.829 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.384 11.246 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.737 11.396 6.990 1.00 0.00 H new ATOM 774 N ALA A 46 3.216 11.673 8.868 1.00 0.00 N ATOM 775 CA ALA A 46 2.838 11.258 10.247 1.00 0.00 C ATOM 776 C ALA A 46 1.484 10.543 10.216 1.00 0.00 C ATOM 777 O ALA A 46 1.287 9.541 10.875 1.00 0.00 O ATOM 778 CB ALA A 46 2.741 12.492 11.145 1.00 0.00 C ATOM 0 H ALA A 46 3.439 12.662 8.756 1.00 0.00 H new ATOM 0 HA ALA A 46 3.597 10.581 10.640 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.464 12.187 12.154 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.705 13.000 11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.984 13.170 10.751 1.00 0.00 H new ATOM 784 N THR A 47 0.540 11.063 9.480 1.00 0.00 N ATOM 785 CA THR A 47 -0.807 10.425 9.436 1.00 0.00 C ATOM 786 C THR A 47 -0.828 9.178 8.535 1.00 0.00 C ATOM 787 O THR A 47 -1.223 8.112 8.962 1.00 0.00 O ATOM 788 CB THR A 47 -1.819 11.434 8.898 1.00 0.00 C ATOM 789 OG1 THR A 47 -1.655 12.673 9.573 1.00 0.00 O ATOM 790 CG2 THR A 47 -3.237 10.909 9.124 1.00 0.00 C ATOM 0 H THR A 47 0.643 11.901 8.908 1.00 0.00 H new ATOM 0 HA THR A 47 -1.060 10.115 10.450 1.00 0.00 H new ATOM 0 HB THR A 47 -1.656 11.578 7.830 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.303 13.322 9.227 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.958 11.631 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.361 9.960 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.405 10.762 10.191 1.00 0.00 H new ATOM 798 N TRP A 48 -0.464 9.302 7.284 1.00 0.00 N ATOM 799 CA TRP A 48 -0.541 8.112 6.374 1.00 0.00 C ATOM 800 C TRP A 48 0.647 7.154 6.551 1.00 0.00 C ATOM 801 O TRP A 48 0.671 6.087 5.968 1.00 0.00 O ATOM 802 CB TRP A 48 -0.645 8.567 4.912 1.00 0.00 C ATOM 803 CG TRP A 48 0.567 9.333 4.484 1.00 0.00 C ATOM 804 CD1 TRP A 48 0.672 10.681 4.476 1.00 0.00 C ATOM 805 CD2 TRP A 48 1.828 8.821 3.962 1.00 0.00 C ATOM 806 NE1 TRP A 48 1.916 11.030 3.982 1.00 0.00 N ATOM 807 CE2 TRP A 48 2.668 9.918 3.659 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.321 7.524 3.732 1.00 0.00 C ATOM 809 CZ2 TRP A 48 3.952 9.735 3.142 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.613 7.336 3.213 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.427 8.440 2.918 1.00 0.00 C ATOM 0 H TRP A 48 -0.121 10.161 6.855 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.439 7.559 6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.772 7.697 4.268 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.532 9.188 4.786 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.091 11.372 4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.238 11.991 3.870 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.703 6.667 3.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.574 10.589 2.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.982 6.336 3.040 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.419 8.289 2.518 1.00 0.00 H new ATOM 822 N LYS A 49 1.615 7.487 7.355 1.00 0.00 N ATOM 823 CA LYS A 49 2.756 6.548 7.554 1.00 0.00 C ATOM 824 C LYS A 49 2.465 5.682 8.778 1.00 0.00 C ATOM 825 O LYS A 49 2.758 4.503 8.802 1.00 0.00 O ATOM 826 CB LYS A 49 4.053 7.329 7.775 1.00 0.00 C ATOM 827 CG LYS A 49 5.245 6.408 7.506 1.00 0.00 C ATOM 828 CD LYS A 49 6.495 6.978 8.180 1.00 0.00 C ATOM 829 CE LYS A 49 7.739 6.323 7.577 1.00 0.00 C ATOM 830 NZ LYS A 49 7.656 4.845 7.753 1.00 0.00 N ATOM 0 H LYS A 49 1.668 8.360 7.880 1.00 0.00 H new ATOM 0 HA LYS A 49 2.874 5.923 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.089 8.193 7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.094 7.708 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.038 5.408 7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.409 6.313 6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.536 8.058 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.458 6.795 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.816 6.570 6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.637 6.708 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.594 4.424 7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.333 4.628 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.982 4.451 7.066 1.00 0.00 H new ATOM 844 N ASN A 50 1.873 6.255 9.791 1.00 0.00 N ATOM 845 CA ASN A 50 1.544 5.459 11.004 1.00 0.00 C ATOM 846 C ASN A 50 0.385 4.521 10.670 1.00 0.00 C ATOM 847 O ASN A 50 0.319 3.404 11.144 1.00 0.00 O ATOM 848 CB ASN A 50 1.136 6.395 12.144 1.00 0.00 C ATOM 849 CG ASN A 50 0.577 5.572 13.305 1.00 0.00 C ATOM 850 OD1 ASN A 50 0.611 4.357 13.275 1.00 0.00 O ATOM 851 ND2 ASN A 50 0.057 6.183 14.335 1.00 0.00 N ATOM 0 H ASN A 50 1.604 7.238 9.829 1.00 0.00 H new ATOM 0 HA ASN A 50 2.414 4.882 11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.996 6.976 12.477 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.387 7.106 11.795 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.320 5.641 15.113 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.028 7.202 14.362 1.00 0.00 H new ATOM 858 N ALA A 51 -0.528 4.965 9.845 1.00 0.00 N ATOM 859 CA ALA A 51 -1.677 4.094 9.470 1.00 0.00 C ATOM 860 C ALA A 51 -1.167 2.950 8.592 1.00 0.00 C ATOM 861 O ALA A 51 -1.496 1.798 8.802 1.00 0.00 O ATOM 862 CB ALA A 51 -2.710 4.911 8.691 1.00 0.00 C ATOM 0 H ALA A 51 -0.526 5.891 9.417 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.142 3.693 10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.549 4.271 8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.067 5.733 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.251 5.312 7.787 1.00 0.00 H new ATOM 868 N VAL A 52 -0.363 3.258 7.611 1.00 0.00 N ATOM 869 CA VAL A 52 0.172 2.189 6.724 1.00 0.00 C ATOM 870 C VAL A 52 1.130 1.303 7.522 1.00 0.00 C ATOM 871 O VAL A 52 1.166 0.100 7.356 1.00 0.00 O ATOM 872 CB VAL A 52 0.921 2.829 5.555 1.00 0.00 C ATOM 873 CG1 VAL A 52 1.568 1.736 4.704 1.00 0.00 C ATOM 874 CG2 VAL A 52 -0.061 3.630 4.696 1.00 0.00 C ATOM 0 H VAL A 52 -0.054 4.204 7.386 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.650 1.584 6.341 1.00 0.00 H new ATOM 0 HB VAL A 52 1.693 3.495 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.102 2.192 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.268 1.166 5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.796 1.070 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.473 4.086 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.834 2.965 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.522 4.410 5.302 1.00 0.00 H new ATOM 884 N ARG A 53 1.908 1.891 8.390 1.00 0.00 N ATOM 885 CA ARG A 53 2.867 1.089 9.202 1.00 0.00 C ATOM 886 C ARG A 53 2.118 -0.049 9.897 1.00 0.00 C ATOM 887 O ARG A 53 2.398 -1.212 9.686 1.00 0.00 O ATOM 888 CB ARG A 53 3.514 1.989 10.257 1.00 0.00 C ATOM 889 CG ARG A 53 4.672 1.244 10.923 1.00 0.00 C ATOM 890 CD ARG A 53 4.339 0.994 12.395 1.00 0.00 C ATOM 891 NE ARG A 53 5.274 1.770 13.257 1.00 0.00 N ATOM 892 CZ ARG A 53 5.965 1.164 14.184 1.00 0.00 C ATOM 893 NH1 ARG A 53 7.065 0.534 13.871 1.00 0.00 N ATOM 894 NH2 ARG A 53 5.557 1.189 15.423 1.00 0.00 N ATOM 0 H ARG A 53 1.921 2.895 8.572 1.00 0.00 H new ATOM 0 HA ARG A 53 3.638 0.674 8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.876 2.907 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.776 2.279 11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.850 0.297 10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.589 1.827 10.841 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.310 1.288 12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.418 -0.069 12.621 1.00 0.00 H new ATOM 0 HE ARG A 53 5.374 2.776 13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.384 0.515 12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.605 0.060 14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.698 1.682 15.667 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.097 0.715 16.147 1.00 0.00 H new ATOM 908 N HIS A 54 1.165 0.279 10.726 1.00 0.00 N ATOM 909 CA HIS A 54 0.396 -0.781 11.436 1.00 0.00 C ATOM 910 C HIS A 54 -0.104 -1.817 10.425 1.00 0.00 C ATOM 911 O HIS A 54 0.070 -3.006 10.601 1.00 0.00 O ATOM 912 CB HIS A 54 -0.799 -0.144 12.154 1.00 0.00 C ATOM 913 CG HIS A 54 -1.761 -1.216 12.588 1.00 0.00 C ATOM 914 ND1 HIS A 54 -1.640 -1.871 13.804 1.00 0.00 N ATOM 915 CD2 HIS A 54 -2.865 -1.758 11.978 1.00 0.00 C ATOM 916 CE1 HIS A 54 -2.646 -2.762 13.887 1.00 0.00 C ATOM 917 NE2 HIS A 54 -3.422 -2.734 12.799 1.00 0.00 N ATOM 0 H HIS A 54 0.886 1.236 10.942 1.00 0.00 H new ATOM 0 HA HIS A 54 1.040 -1.273 12.165 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -0.456 0.422 13.020 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -1.300 0.561 11.491 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.244 -1.471 11.008 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.806 -3.419 14.729 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.246 -3.305 12.611 1.00 0.00 H new ATOM 925 N ASN A 55 -0.734 -1.376 9.370 1.00 0.00 N ATOM 926 CA ASN A 55 -1.256 -2.335 8.355 1.00 0.00 C ATOM 927 C ASN A 55 -0.144 -3.290 7.899 1.00 0.00 C ATOM 928 O ASN A 55 -0.200 -4.478 8.141 1.00 0.00 O ATOM 929 CB ASN A 55 -1.781 -1.556 7.146 1.00 0.00 C ATOM 930 CG ASN A 55 -3.263 -1.233 7.349 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.101 -2.110 7.294 1.00 0.00 O ATOM 932 ND2 ASN A 55 -3.623 0.000 7.584 1.00 0.00 N ATOM 0 H ASN A 55 -0.910 -0.392 9.167 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.061 -2.918 8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.212 -0.635 7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.647 -2.142 6.237 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.608 0.226 7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.919 0.737 7.630 1.00 0.00 H new ATOM 939 N LEU A 56 0.860 -2.779 7.236 1.00 0.00 N ATOM 940 CA LEU A 56 1.972 -3.654 6.743 1.00 0.00 C ATOM 941 C LEU A 56 2.463 -4.576 7.870 1.00 0.00 C ATOM 942 O LEU A 56 2.741 -5.737 7.653 1.00 0.00 O ATOM 943 CB LEU A 56 3.129 -2.765 6.277 1.00 0.00 C ATOM 944 CG LEU A 56 4.337 -3.632 5.923 1.00 0.00 C ATOM 945 CD1 LEU A 56 4.925 -3.168 4.589 1.00 0.00 C ATOM 946 CD2 LEU A 56 5.397 -3.500 7.019 1.00 0.00 C ATOM 0 H LEU A 56 0.961 -1.789 7.012 1.00 0.00 H new ATOM 0 HA LEU A 56 1.610 -4.268 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.823 -2.179 5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.395 -2.057 7.062 1.00 0.00 H new ATOM 0 HG LEU A 56 4.025 -4.673 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.786 -3.786 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.171 -3.260 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.237 -2.127 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.259 -4.118 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.708 -2.459 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.980 -3.829 7.970 1.00 0.00 H new ATOM 958 N SER A 57 2.577 -4.073 9.067 1.00 0.00 N ATOM 959 CA SER A 57 3.054 -4.929 10.192 1.00 0.00 C ATOM 960 C SER A 57 2.134 -6.146 10.348 1.00 0.00 C ATOM 961 O SER A 57 2.536 -7.271 10.129 1.00 0.00 O ATOM 962 CB SER A 57 3.045 -4.118 11.489 1.00 0.00 C ATOM 963 OG SER A 57 2.992 -5.006 12.597 1.00 0.00 O ATOM 0 H SER A 57 2.361 -3.108 9.316 1.00 0.00 H new ATOM 0 HA SER A 57 4.067 -5.269 9.978 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.938 -3.496 11.549 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.187 -3.446 11.505 1.00 0.00 H new ATOM 0 HG SER A 57 2.988 -4.490 13.430 1.00 0.00 H new ATOM 969 N LEU A 58 0.904 -5.929 10.731 1.00 0.00 N ATOM 970 CA LEU A 58 -0.041 -7.072 10.907 1.00 0.00 C ATOM 971 C LEU A 58 -0.883 -7.236 9.641 1.00 0.00 C ATOM 972 O LEU A 58 -2.085 -7.400 9.697 1.00 0.00 O ATOM 973 CB LEU A 58 -0.960 -6.792 12.100 1.00 0.00 C ATOM 974 CG LEU A 58 -1.978 -7.925 12.239 1.00 0.00 C ATOM 975 CD1 LEU A 58 -1.829 -8.581 13.613 1.00 0.00 C ATOM 976 CD2 LEU A 58 -3.391 -7.357 12.098 1.00 0.00 C ATOM 0 H LEU A 58 0.512 -5.009 10.930 1.00 0.00 H new ATOM 0 HA LEU A 58 0.523 -7.987 11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.371 -6.704 13.013 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.475 -5.842 11.960 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.803 -8.668 11.461 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.555 -9.388 13.711 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.822 -8.984 13.716 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.004 -7.839 14.392 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.119 -8.163 12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.564 -6.614 12.877 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.499 -6.889 11.120 1.00 0.00 H new ATOM 988 N HIS A 59 -0.258 -7.178 8.500 1.00 0.00 N ATOM 989 CA HIS A 59 -1.012 -7.311 7.221 1.00 0.00 C ATOM 990 C HIS A 59 -1.101 -8.779 6.783 1.00 0.00 C ATOM 991 O HIS A 59 -0.177 -9.331 6.223 1.00 0.00 O ATOM 992 CB HIS A 59 -0.297 -6.515 6.134 1.00 0.00 C ATOM 993 CG HIS A 59 1.151 -6.939 6.044 1.00 0.00 C ATOM 994 ND1 HIS A 59 1.684 -7.961 6.816 1.00 0.00 N ATOM 995 CD2 HIS A 59 2.187 -6.486 5.262 1.00 0.00 C ATOM 996 CE1 HIS A 59 2.982 -8.087 6.487 1.00 0.00 C ATOM 997 NE2 HIS A 59 3.340 -7.213 5.543 1.00 0.00 N ATOM 0 H HIS A 59 0.748 -7.044 8.396 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.022 -6.930 7.375 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.790 -6.672 5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.359 -5.449 6.354 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.117 -5.687 4.539 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.653 -8.807 6.932 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.261 -7.102 5.119 1.00 0.00 H new ATOM 1005 N LYS A 60 -2.217 -9.414 7.011 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.355 -10.837 6.587 1.00 0.00 C ATOM 1007 C LYS A 60 -2.628 -10.900 5.081 1.00 0.00 C ATOM 1008 O LYS A 60 -2.234 -11.834 4.412 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.513 -11.486 7.346 1.00 0.00 C ATOM 1010 CG LYS A 60 -3.022 -11.956 8.718 1.00 0.00 C ATOM 1011 CD LYS A 60 -1.861 -12.937 8.540 1.00 0.00 C ATOM 1012 CE LYS A 60 -1.710 -13.783 9.806 1.00 0.00 C ATOM 1013 NZ LYS A 60 -1.098 -12.957 10.885 1.00 0.00 N ATOM 0 H LYS A 60 -3.035 -9.013 7.470 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.432 -11.372 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.329 -10.774 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.906 -12.330 6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.701 -11.101 9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.836 -12.435 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.043 -13.580 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.938 -12.393 8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.683 -14.155 10.126 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.087 -14.654 9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.995 -13.531 11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.162 -12.623 10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.709 -12.140 11.085 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.293 -9.915 4.538 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.577 -9.934 3.075 1.00 0.00 C ATOM 1029 C TYR A 61 -2.306 -9.556 2.307 1.00 0.00 C ATOM 1030 O TYR A 61 -2.246 -9.661 1.098 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.704 -8.949 2.745 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.357 -7.571 3.254 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.501 -6.748 2.512 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -4.897 -7.112 4.462 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.184 -5.467 2.980 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -4.581 -5.832 4.928 1.00 0.00 C ATOM 1037 CZ TYR A 61 -3.724 -5.008 4.187 1.00 0.00 C ATOM 1038 OH TYR A 61 -3.413 -3.746 4.648 1.00 0.00 O ATOM 0 H TYR A 61 -3.650 -9.103 5.042 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.893 -10.935 2.781 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.865 -8.917 1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.637 -9.287 3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.086 -7.101 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.558 -7.747 5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.522 -4.833 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.998 -5.479 5.860 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.847 -3.598 5.514 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.284 -9.137 3.004 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.007 -8.774 2.322 1.00 0.00 C ATOM 1050 C PHE A 62 0.928 -9.984 2.371 1.00 0.00 C ATOM 1051 O PHE A 62 1.008 -10.667 3.374 1.00 0.00 O ATOM 1052 CB PHE A 62 0.650 -7.611 3.067 1.00 0.00 C ATOM 1053 CG PHE A 62 0.354 -6.301 2.375 1.00 0.00 C ATOM 1054 CD1 PHE A 62 0.528 -6.189 0.997 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -0.092 -5.196 3.112 1.00 0.00 C ATOM 1056 CE1 PHE A 62 0.263 -4.977 0.350 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -0.356 -3.984 2.471 1.00 0.00 C ATOM 1058 CZ PHE A 62 -0.179 -3.873 1.087 1.00 0.00 C ATOM 0 H PHE A 62 -1.278 -9.030 4.018 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.203 -8.484 1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.285 -7.577 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.728 -7.767 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.869 -7.040 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.232 -5.282 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.400 -4.894 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.696 -3.133 3.042 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.383 -2.937 0.589 1.00 0.00 H new ATOM 1068 N VAL A 63 1.633 -10.266 1.312 1.00 0.00 N ATOM 1069 CA VAL A 63 2.548 -11.440 1.338 1.00 0.00 C ATOM 1070 C VAL A 63 3.935 -11.025 0.836 1.00 0.00 C ATOM 1071 O VAL A 63 4.065 -10.294 -0.125 1.00 0.00 O ATOM 1072 CB VAL A 63 1.980 -12.547 0.446 1.00 0.00 C ATOM 1073 CG1 VAL A 63 3.057 -13.600 0.179 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.790 -13.203 1.152 1.00 0.00 C ATOM 0 H VAL A 63 1.616 -9.741 0.438 1.00 0.00 H new ATOM 0 HA VAL A 63 2.637 -11.810 2.359 1.00 0.00 H new ATOM 0 HB VAL A 63 1.655 -12.118 -0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.648 -14.386 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.906 -13.134 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.386 -14.032 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.382 -13.992 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.119 -13.630 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.020 -12.454 1.340 1.00 0.00 H new ATOM 1084 N ARG A 64 4.972 -11.489 1.480 1.00 0.00 N ATOM 1085 CA ARG A 64 6.349 -11.124 1.040 1.00 0.00 C ATOM 1086 C ARG A 64 6.935 -12.268 0.210 1.00 0.00 C ATOM 1087 O ARG A 64 6.930 -13.412 0.622 1.00 0.00 O ATOM 1088 CB ARG A 64 7.232 -10.881 2.267 1.00 0.00 C ATOM 1089 CG ARG A 64 7.085 -12.050 3.243 1.00 0.00 C ATOM 1090 CD ARG A 64 8.225 -12.012 4.263 1.00 0.00 C ATOM 1091 NE ARG A 64 8.335 -13.340 4.928 1.00 0.00 N ATOM 1092 CZ ARG A 64 9.313 -13.576 5.759 1.00 0.00 C ATOM 1093 NH1 ARG A 64 10.492 -13.902 5.304 1.00 0.00 N ATOM 1094 NH2 ARG A 64 9.111 -13.488 7.046 1.00 0.00 N ATOM 0 H ARG A 64 4.925 -12.105 2.292 1.00 0.00 H new ATOM 0 HA ARG A 64 6.310 -10.217 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.274 -10.776 1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.947 -9.949 2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.124 -11.992 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.101 -12.995 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.163 -11.762 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.039 -11.235 5.005 1.00 0.00 H new ATOM 0 HE ARG A 64 7.645 -14.066 4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.649 -13.972 4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.256 -14.086 5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.189 -13.235 7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.875 -13.672 7.696 1.00 0.00 H new ATOM 1108 N VAL A 65 7.440 -11.970 -0.955 1.00 0.00 N ATOM 1109 CA VAL A 65 8.024 -13.035 -1.807 1.00 0.00 C ATOM 1110 C VAL A 65 9.476 -12.685 -2.141 1.00 0.00 C ATOM 1111 O VAL A 65 9.818 -11.537 -2.340 1.00 0.00 O ATOM 1112 CB VAL A 65 7.213 -13.157 -3.097 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.797 -14.273 -3.965 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.760 -13.487 -2.756 1.00 0.00 C ATOM 0 H VAL A 65 7.472 -11.031 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 65 7.997 -13.985 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 65 7.255 -12.214 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.218 -14.359 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.833 -14.040 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.756 -15.216 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.181 -13.574 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.719 -14.430 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.342 -12.692 -2.138 1.00 0.00 H new ATOM 1124 N GLU A 66 10.336 -13.667 -2.198 1.00 0.00 N ATOM 1125 CA GLU A 66 11.762 -13.392 -2.510 1.00 0.00 C ATOM 1126 C GLU A 66 11.989 -13.467 -4.023 1.00 0.00 C ATOM 1127 O GLU A 66 12.030 -14.534 -4.601 1.00 0.00 O ATOM 1128 CB GLU A 66 12.648 -14.427 -1.812 1.00 0.00 C ATOM 1129 CG GLU A 66 14.073 -13.882 -1.691 1.00 0.00 C ATOM 1130 CD GLU A 66 14.974 -14.576 -2.714 1.00 0.00 C ATOM 1131 OE1 GLU A 66 14.820 -14.302 -3.893 1.00 0.00 O ATOM 1132 OE2 GLU A 66 15.803 -15.370 -2.301 1.00 0.00 O ATOM 0 H GLU A 66 10.108 -14.649 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 66 12.018 -12.393 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.249 -14.655 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.651 -15.359 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.077 -12.805 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.453 -14.049 -0.683 1.00 0.00 H new ATOM 1139 N ASN A 67 12.141 -12.342 -4.667 1.00 0.00 N ATOM 1140 CA ASN A 67 12.370 -12.350 -6.133 1.00 0.00 C ATOM 1141 C ASN A 67 13.832 -12.002 -6.422 1.00 0.00 C ATOM 1142 O ASN A 67 14.588 -11.675 -5.529 1.00 0.00 O ATOM 1143 CB ASN A 67 11.452 -11.323 -6.799 1.00 0.00 C ATOM 1144 CG ASN A 67 10.388 -12.051 -7.622 1.00 0.00 C ATOM 1145 OD1 ASN A 67 10.684 -12.617 -8.655 1.00 0.00 O ATOM 1146 ND2 ASN A 67 9.150 -12.060 -7.205 1.00 0.00 N ATOM 0 H ASN A 67 12.116 -11.417 -4.237 1.00 0.00 H new ATOM 0 HA ASN A 67 12.150 -13.340 -6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.978 -10.698 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.034 -10.661 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.433 -12.542 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.901 -11.585 -6.338 1.00 0.00 H new ATOM 1153 N VAL A 68 14.239 -12.067 -7.661 1.00 0.00 N ATOM 1154 CA VAL A 68 15.650 -11.738 -7.996 1.00 0.00 C ATOM 1155 C VAL A 68 15.915 -10.271 -7.658 1.00 0.00 C ATOM 1156 O VAL A 68 16.962 -9.916 -7.155 1.00 0.00 O ATOM 1157 CB VAL A 68 15.891 -11.973 -9.489 1.00 0.00 C ATOM 1158 CG1 VAL A 68 17.392 -11.915 -9.781 1.00 0.00 C ATOM 1159 CG2 VAL A 68 15.351 -13.350 -9.881 1.00 0.00 C ATOM 0 H VAL A 68 13.655 -12.334 -8.453 1.00 0.00 H new ATOM 0 HA VAL A 68 16.322 -12.374 -7.420 1.00 0.00 H new ATOM 0 HB VAL A 68 15.379 -11.202 -10.064 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.563 -12.083 -10.844 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.780 -10.935 -9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.905 -12.686 -9.206 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.522 -13.519 -10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.864 -14.120 -9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.282 -13.394 -9.674 1.00 0.00 H new ATOM 1169 N LYS A 69 14.969 -9.416 -7.933 1.00 0.00 N ATOM 1170 CA LYS A 69 15.154 -7.974 -7.629 1.00 0.00 C ATOM 1171 C LYS A 69 15.217 -7.776 -6.113 1.00 0.00 C ATOM 1172 O LYS A 69 15.732 -6.790 -5.626 1.00 0.00 O ATOM 1173 CB LYS A 69 13.974 -7.184 -8.199 1.00 0.00 C ATOM 1174 CG LYS A 69 14.332 -6.662 -9.592 1.00 0.00 C ATOM 1175 CD LYS A 69 13.242 -5.703 -10.075 1.00 0.00 C ATOM 1176 CE LYS A 69 12.741 -6.150 -11.450 1.00 0.00 C ATOM 1177 NZ LYS A 69 11.569 -7.054 -11.282 1.00 0.00 N ATOM 0 H LYS A 69 14.073 -9.657 -8.357 1.00 0.00 H new ATOM 0 HA LYS A 69 16.082 -7.621 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.090 -7.819 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.728 -6.352 -7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.294 -6.151 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.433 -7.494 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.417 -5.686 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.635 -4.688 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.461 -5.282 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.536 -6.665 -11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.228 -7.358 -12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.850 -7.888 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.809 -6.548 -10.784 1.00 0.00 H new ATOM 1191 N GLY A 70 14.692 -8.708 -5.364 1.00 0.00 N ATOM 1192 CA GLY A 70 14.715 -8.578 -3.886 1.00 0.00 C ATOM 1193 C GLY A 70 13.320 -8.869 -3.327 1.00 0.00 C ATOM 1194 O GLY A 70 12.355 -8.960 -4.058 1.00 0.00 O ATOM 0 H GLY A 70 14.247 -9.555 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.441 -9.271 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 70 15.030 -7.573 -3.603 1.00 0.00 H new ATOM 1198 N ALA A 71 13.206 -9.015 -2.036 1.00 0.00 N ATOM 1199 CA ALA A 71 11.874 -9.301 -1.434 1.00 0.00 C ATOM 1200 C ALA A 71 10.867 -8.242 -1.886 1.00 0.00 C ATOM 1201 O ALA A 71 11.135 -7.058 -1.838 1.00 0.00 O ATOM 1202 CB ALA A 71 11.987 -9.276 0.091 1.00 0.00 C ATOM 0 H ALA A 71 13.978 -8.949 -1.372 1.00 0.00 H new ATOM 0 HA ALA A 71 11.536 -10.285 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.012 -9.485 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.702 -10.032 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.328 -8.292 0.415 1.00 0.00 H new ATOM 1208 N VAL A 72 9.708 -8.656 -2.319 1.00 0.00 N ATOM 1209 CA VAL A 72 8.689 -7.666 -2.766 1.00 0.00 C ATOM 1210 C VAL A 72 7.398 -7.872 -1.977 1.00 0.00 C ATOM 1211 O VAL A 72 7.075 -8.969 -1.565 1.00 0.00 O ATOM 1212 CB VAL A 72 8.407 -7.851 -4.257 1.00 0.00 C ATOM 1213 CG1 VAL A 72 9.533 -7.213 -5.073 1.00 0.00 C ATOM 1214 CG2 VAL A 72 8.326 -9.345 -4.581 1.00 0.00 C ATOM 0 H VAL A 72 9.424 -9.633 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 72 9.067 -6.659 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 72 7.460 -7.373 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.332 -7.345 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.590 -6.149 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.480 -7.690 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.125 -9.476 -5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.272 -9.824 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.523 -9.800 -4.001 1.00 0.00 H new ATOM 1224 N TRP A 73 6.658 -6.822 -1.758 1.00 0.00 N ATOM 1225 CA TRP A 73 5.392 -6.951 -0.991 1.00 0.00 C ATOM 1226 C TRP A 73 4.218 -7.184 -1.945 1.00 0.00 C ATOM 1227 O TRP A 73 4.011 -6.440 -2.879 1.00 0.00 O ATOM 1228 CB TRP A 73 5.141 -5.676 -0.183 1.00 0.00 C ATOM 1229 CG TRP A 73 6.083 -5.619 0.976 1.00 0.00 C ATOM 1230 CD1 TRP A 73 7.124 -4.763 1.086 1.00 0.00 C ATOM 1231 CD2 TRP A 73 6.090 -6.428 2.188 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.771 -4.996 2.286 1.00 0.00 N ATOM 1233 CE2 TRP A 73 7.171 -6.013 3.001 1.00 0.00 C ATOM 1234 CE3 TRP A 73 5.272 -7.472 2.656 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 7.431 -6.612 4.234 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 5.531 -8.076 3.896 1.00 0.00 C ATOM 1237 CH2 TRP A 73 6.608 -7.647 4.683 1.00 0.00 C ATOM 0 H TRP A 73 6.877 -5.879 -2.078 1.00 0.00 H new ATOM 0 HA TRP A 73 5.479 -7.801 -0.314 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.276 -4.800 -0.817 1.00 0.00 H new ATOM 0 HB3 TRP A 73 4.111 -5.656 0.172 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.405 -4.019 0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.591 -4.480 2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.439 -7.811 2.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.263 -6.278 4.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 4.896 -8.877 4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 73 6.802 -8.116 5.636 1.00 0.00 H new ATOM 1248 N THR A 74 3.439 -8.209 -1.717 1.00 0.00 N ATOM 1249 CA THR A 74 2.289 -8.472 -2.616 1.00 0.00 C ATOM 1250 C THR A 74 1.006 -8.640 -1.802 1.00 0.00 C ATOM 1251 O THR A 74 1.038 -8.855 -0.606 1.00 0.00 O ATOM 1252 CB THR A 74 2.555 -9.739 -3.425 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.318 -10.322 -3.812 1.00 0.00 O ATOM 1254 CG2 THR A 74 3.350 -10.735 -2.581 1.00 0.00 C ATOM 0 H THR A 74 3.553 -8.870 -0.949 1.00 0.00 H new ATOM 0 HA THR A 74 2.167 -7.626 -3.292 1.00 0.00 H new ATOM 0 HB THR A 74 3.131 -9.484 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.914 -9.788 -4.527 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.537 -11.637 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.300 -10.288 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.780 -10.991 -1.688 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.126 -8.542 -2.444 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.417 -8.690 -1.715 1.00 0.00 C ATOM 1264 C VAL A 75 -2.158 -9.929 -2.225 1.00 0.00 C ATOM 1265 O VAL A 75 -2.073 -10.282 -3.384 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.281 -7.452 -1.957 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.552 -7.545 -1.112 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -1.500 -6.197 -1.565 1.00 0.00 C ATOM 0 H VAL A 75 -0.212 -8.365 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.218 -8.799 -0.649 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.548 -7.398 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.169 -6.663 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.111 -8.438 -1.392 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.284 -7.600 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.117 -5.315 -1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.231 -6.250 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.594 -6.129 -2.167 1.00 0.00 H new ATOM 1278 N ASP A 76 -2.889 -10.587 -1.368 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.641 -11.798 -1.802 1.00 0.00 C ATOM 1280 C ASP A 76 -5.141 -11.498 -1.791 1.00 0.00 C ATOM 1281 O ASP A 76 -5.685 -11.041 -0.806 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.344 -12.953 -0.843 1.00 0.00 C ATOM 1283 CG ASP A 76 -2.712 -14.112 -1.615 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -1.871 -13.848 -2.459 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -3.079 -15.245 -1.351 1.00 0.00 O ATOM 0 H ASP A 76 -2.998 -10.338 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.334 -12.075 -2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.671 -12.619 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.264 -13.283 -0.360 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.818 -11.749 -2.879 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.283 -11.475 -2.926 1.00 0.00 C ATOM 1292 C GLU A 77 -8.003 -12.377 -1.922 1.00 0.00 C ATOM 1293 O GLU A 77 -9.097 -12.082 -1.483 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.812 -11.756 -4.334 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.544 -13.218 -4.700 1.00 0.00 C ATOM 1296 CD GLU A 77 -6.747 -13.280 -6.005 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -5.541 -13.106 -5.948 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -7.357 -13.501 -7.038 1.00 0.00 O ATOM 0 H GLU A 77 -5.420 -12.132 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.464 -10.431 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.881 -11.549 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.328 -11.096 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.990 -13.709 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.486 -13.755 -4.811 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.399 -13.473 -1.556 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.047 -14.391 -0.583 1.00 0.00 C ATOM 1307 C VAL A 78 -8.109 -13.713 0.786 1.00 0.00 C ATOM 1308 O VAL A 78 -9.169 -13.508 1.343 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.231 -15.680 -0.479 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -7.777 -16.541 0.661 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.331 -16.454 -1.794 1.00 0.00 C ATOM 0 H VAL A 78 -6.483 -13.772 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.057 -14.628 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.188 -15.433 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.195 -17.460 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.706 -15.990 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.820 -16.788 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.749 -17.373 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.374 -16.700 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.941 -15.842 -2.607 1.00 0.00 H new ATOM 1321 N GLU A 79 -6.978 -13.368 1.333 1.00 0.00 N ATOM 1322 CA GLU A 79 -6.963 -12.707 2.665 1.00 0.00 C ATOM 1323 C GLU A 79 -7.547 -11.297 2.547 1.00 0.00 C ATOM 1324 O GLU A 79 -8.260 -10.834 3.415 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.521 -12.620 3.172 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.146 -13.925 3.872 1.00 0.00 C ATOM 1327 CD GLU A 79 -5.840 -13.994 5.234 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -6.261 -12.954 5.714 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -5.939 -15.083 5.772 1.00 0.00 O ATOM 0 H GLU A 79 -6.060 -13.516 0.913 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.563 -13.289 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.842 -12.434 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.417 -11.782 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.441 -14.776 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.065 -13.983 4.000 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.244 -10.608 1.480 1.00 0.00 N ATOM 1337 CA PHE A 80 -7.771 -9.226 1.307 1.00 0.00 C ATOM 1338 C PHE A 80 -9.302 -9.254 1.263 1.00 0.00 C ATOM 1339 O PHE A 80 -9.961 -8.384 1.795 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.230 -8.639 0.000 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.403 -7.138 0.012 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -8.684 -6.582 -0.085 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -6.283 -6.301 0.120 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -8.846 -5.191 -0.075 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -6.446 -4.911 0.129 1.00 0.00 C ATOM 1346 CZ PHE A 80 -7.728 -4.356 0.032 1.00 0.00 C ATOM 0 H PHE A 80 -6.653 -10.944 0.720 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.451 -8.609 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.177 -8.893 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.758 -9.070 -0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.547 -7.226 -0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.294 -6.729 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -9.834 -4.762 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.583 -4.267 0.211 1.00 0.00 H new ATOM 0 HZ PHE A 80 -7.854 -3.283 0.040 1.00 0.00 H new ATOM 1356 N GLN A 81 -9.873 -10.245 0.632 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.359 -10.321 0.554 1.00 0.00 C ATOM 1358 C GLN A 81 -11.941 -10.519 1.957 1.00 0.00 C ATOM 1359 O GLN A 81 -13.058 -10.131 2.233 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.763 -11.497 -0.337 1.00 0.00 C ATOM 1361 CG GLN A 81 -12.028 -10.994 -1.758 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.503 -11.196 -2.107 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -14.062 -12.246 -1.851 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -14.162 -10.231 -2.687 1.00 0.00 N ATOM 0 H GLN A 81 -9.374 -11.004 0.168 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.746 -9.394 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.973 -12.248 -0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.655 -11.979 0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.767 -9.939 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.399 -11.531 -2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.694 -9.351 -2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.146 -10.357 -2.926 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.195 -11.118 2.844 1.00 0.00 N ATOM 1374 CA LYS A 82 -11.714 -11.336 4.224 1.00 0.00 C ATOM 1375 C LYS A 82 -12.345 -10.040 4.739 1.00 0.00 C ATOM 1376 O LYS A 82 -13.503 -10.004 5.105 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.565 -11.746 5.148 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.126 -12.115 6.522 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.615 -13.500 6.931 1.00 0.00 C ATOM 1380 CE LYS A 82 -9.463 -13.345 7.924 1.00 0.00 C ATOM 1381 NZ LYS A 82 -8.199 -13.080 7.182 1.00 0.00 N ATOM 0 H LYS A 82 -10.251 -11.465 2.674 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.464 -12.127 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.027 -12.593 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.850 -10.929 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.824 -11.372 7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.216 -12.112 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.422 -14.079 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.280 -14.050 6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.671 -12.527 8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.362 -14.249 8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.522 -13.849 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.399 -13.028 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.792 -12.178 7.501 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.593 -8.974 4.767 1.00 0.00 N ATOM 1396 CA ARG A 83 -12.144 -7.685 5.251 1.00 0.00 C ATOM 1397 C ARG A 83 -12.231 -6.702 4.081 1.00 0.00 C ATOM 1398 O ARG A 83 -11.576 -5.679 4.067 1.00 0.00 O ATOM 1399 CB ARG A 83 -11.229 -7.113 6.338 1.00 0.00 C ATOM 1400 CG ARG A 83 -12.006 -6.103 7.185 1.00 0.00 C ATOM 1401 CD ARG A 83 -11.318 -4.738 7.114 1.00 0.00 C ATOM 1402 NE ARG A 83 -11.786 -3.887 8.244 1.00 0.00 N ATOM 1403 CZ ARG A 83 -11.074 -2.862 8.629 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -11.247 -1.699 8.066 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -10.191 -3.001 9.580 1.00 0.00 N ATOM 0 H ARG A 83 -10.617 -8.944 4.473 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.139 -7.845 5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.851 -7.917 6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.364 -6.631 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.032 -6.024 6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.057 -6.443 8.219 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.236 -4.861 7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.543 -4.255 6.163 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.663 -4.105 8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.939 -1.589 7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.691 -0.899 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.057 -3.910 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.635 -2.200 9.881 1.00 0.00 H new ATOM 1419 N ARG A 84 -13.033 -7.006 3.096 1.00 0.00 N ATOM 1420 CA ARG A 84 -13.156 -6.093 1.928 1.00 0.00 C ATOM 1421 C ARG A 84 -14.639 -5.774 1.646 1.00 0.00 C ATOM 1422 O ARG A 84 -15.043 -4.638 1.787 1.00 0.00 O ATOM 1423 CB ARG A 84 -12.472 -6.724 0.703 1.00 0.00 C ATOM 1424 CG ARG A 84 -13.153 -6.267 -0.596 1.00 0.00 C ATOM 1425 CD ARG A 84 -13.245 -4.740 -0.616 1.00 0.00 C ATOM 1426 NE ARG A 84 -12.402 -4.204 -1.723 1.00 0.00 N ATOM 1427 CZ ARG A 84 -12.732 -4.431 -2.965 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -13.916 -4.092 -3.398 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -11.880 -4.996 -3.774 1.00 0.00 N ATOM 0 H ARG A 84 -13.607 -7.848 3.052 1.00 0.00 H new ATOM 0 HA ARG A 84 -12.656 -5.151 2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.419 -6.445 0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.512 -7.811 0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.587 -6.619 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -14.149 -6.703 -0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -14.281 -4.430 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.912 -4.333 0.339 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.567 -3.659 -1.509 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.583 -3.650 -2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -14.174 -4.269 -4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.955 -5.261 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.139 -5.173 -4.745 1.00 0.00 H new ATOM 1443 N PRO A 85 -15.414 -6.763 1.252 1.00 0.00 N ATOM 1444 CA PRO A 85 -16.842 -6.550 0.954 1.00 0.00 C ATOM 1445 C PRO A 85 -17.645 -6.402 2.249 1.00 0.00 C ATOM 1446 O PRO A 85 -18.497 -7.211 2.558 1.00 0.00 O ATOM 1447 CB PRO A 85 -17.251 -7.813 0.193 1.00 0.00 C ATOM 1448 CG PRO A 85 -16.226 -8.903 0.579 1.00 0.00 C ATOM 1449 CD PRO A 85 -14.967 -8.166 1.071 1.00 0.00 C ATOM 0 HA PRO A 85 -17.026 -5.641 0.381 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.263 -8.118 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.246 -7.638 -0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -16.625 -9.552 1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -15.994 -9.538 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.597 -8.590 2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.156 -8.235 0.346 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.381 -5.371 3.005 1.00 0.00 N ATOM 1458 CA GLN A 86 -18.131 -5.169 4.276 1.00 0.00 C ATOM 1459 C GLN A 86 -19.632 -5.150 3.977 1.00 0.00 C ATOM 1460 O GLN A 86 -20.437 -5.605 4.765 1.00 0.00 O ATOM 1461 CB GLN A 86 -17.719 -3.835 4.906 1.00 0.00 C ATOM 1462 CG GLN A 86 -16.500 -4.048 5.808 1.00 0.00 C ATOM 1463 CD GLN A 86 -15.223 -3.734 5.027 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -14.497 -4.628 4.642 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -14.915 -2.490 4.775 1.00 0.00 N ATOM 0 H GLN A 86 -16.679 -4.661 2.797 1.00 0.00 H new ATOM 0 HA GLN A 86 -17.905 -5.981 4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -17.485 -3.110 4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -18.546 -3.424 5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -16.568 -3.406 6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -16.475 -5.077 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.524 -1.738 5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.065 -2.270 4.255 1.00 0.00 H new ATOM 1474 N LYS A 87 -20.011 -4.626 2.844 1.00 0.00 N ATOM 1475 CA LYS A 87 -21.459 -4.577 2.491 1.00 0.00 C ATOM 1476 C LYS A 87 -22.093 -5.945 2.746 1.00 0.00 C ATOM 1477 O LYS A 87 -21.609 -6.915 2.187 1.00 0.00 O ATOM 1478 CB LYS A 87 -21.609 -4.211 1.013 1.00 0.00 C ATOM 1479 CG LYS A 87 -22.582 -3.039 0.873 1.00 0.00 C ATOM 1480 CD LYS A 87 -21.798 -1.726 0.819 1.00 0.00 C ATOM 1481 CE LYS A 87 -21.354 -1.337 2.231 1.00 0.00 C ATOM 1482 NZ LYS A 87 -20.876 0.075 2.228 1.00 0.00 N ATOM 1483 OXT LYS A 87 -23.054 -5.999 3.497 1.00 0.00 O ATOM 0 H LYS A 87 -19.381 -4.229 2.147 1.00 0.00 H new ATOM 0 HA LYS A 87 -21.959 -3.827 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -20.639 -3.944 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -21.974 -5.070 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -23.180 -3.155 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -23.275 -3.026 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -20.929 -1.836 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -22.417 -0.938 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -22.183 -1.450 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.559 -2.001 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.574 0.341 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.073 0.168 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -21.647 0.702 1.922 1.00 0.00 H new TER 1497 LYS A 87