USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 85 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.23 K(o=-1.2,f=-1.7!) USER MOD Set 2.1: A 54 GLN : amide:sc= -7.08! C(o=-7.1!,f=-6.3!) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 148:sc= 0 (180deg=0) USER MOD Set 3.1: A 33 TYR OH : rot 108:sc= 0.821 USER MOD Set 3.2: A 37 ASN : amide:sc= -1.5 K(o=-0.68,f=-2.9) USER MOD Set 3.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 13 THR OG1 : rot -68:sc= 0.187 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc=-0.00447 (180deg=-0.152) USER MOD Single : A 25 MET CE :methyl -137:sc= -0.351 (180deg=-0.831) USER MOD Single : A 27 THR OG1 : rot -88:sc= 0.884 USER MOD Single : A 34 THR OG1 : rot 140:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -6.88! C(o=-6.9!,f=-6.1!) USER MOD Single : A 40 ASN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0578) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 65 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.42) USER MOD Single : A 72 GLN : amide:sc= 0.537 K(o=0.54,f=-0.0095) USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.934) USER MOD Single : A 77 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.9!) USER MOD Single : A 84 ASN : amide:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.791 K(o=-0.79,f=0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.944 1.883 -30.242 1.00 0.00 N ATOM 2 CA GLY A 1 -3.232 1.677 -28.834 1.00 0.00 C ATOM 3 C GLY A 1 -4.637 1.159 -28.600 1.00 0.00 C ATOM 4 O GLY A 1 -5.604 1.707 -29.129 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.972 2.237 -30.349 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.042 0.982 -30.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.611 2.578 -30.635 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.514 0.970 -28.419 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.101 2.617 -28.298 1.00 0.00 H new ATOM 8 N SER A 2 -4.751 0.099 -27.806 1.00 0.00 N ATOM 9 CA SER A 2 -6.048 -0.497 -27.507 1.00 0.00 C ATOM 10 C SER A 2 -6.069 -1.071 -26.094 1.00 0.00 C ATOM 11 O SER A 2 -5.042 -1.506 -25.574 1.00 0.00 O ATOM 12 CB SER A 2 -6.375 -1.594 -28.522 1.00 0.00 C ATOM 13 OG SER A 2 -7.760 -1.891 -28.524 1.00 0.00 O ATOM 0 H SER A 2 -3.961 -0.365 -27.358 1.00 0.00 H new ATOM 0 HA SER A 2 -6.804 0.285 -27.573 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.067 -1.276 -29.518 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.807 -2.494 -28.285 1.00 0.00 H new ATOM 0 HG SER A 2 -7.943 -2.594 -29.182 1.00 0.00 H new ATOM 19 N SER A 3 -7.247 -1.070 -25.479 1.00 0.00 N ATOM 20 CA SER A 3 -7.403 -1.588 -24.125 1.00 0.00 C ATOM 21 C SER A 3 -6.973 -3.049 -24.049 1.00 0.00 C ATOM 22 O SER A 3 -6.199 -3.436 -23.175 1.00 0.00 O ATOM 23 CB SER A 3 -8.856 -1.447 -23.667 1.00 0.00 C ATOM 24 OG SER A 3 -8.961 -1.566 -22.259 1.00 0.00 O ATOM 0 H SER A 3 -8.108 -0.716 -25.897 1.00 0.00 H new ATOM 0 HA SER A 3 -6.763 -1.005 -23.463 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.248 -0.481 -23.984 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.467 -2.212 -24.146 1.00 0.00 H new ATOM 0 HG SER A 3 -9.899 -1.471 -21.992 1.00 0.00 H new ATOM 30 N GLY A 4 -7.482 -3.859 -24.973 1.00 0.00 N ATOM 31 CA GLY A 4 -7.141 -5.269 -24.994 1.00 0.00 C ATOM 32 C GLY A 4 -7.579 -5.990 -23.735 1.00 0.00 C ATOM 33 O GLY A 4 -7.421 -5.474 -22.629 1.00 0.00 O ATOM 0 H GLY A 4 -8.125 -3.563 -25.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.607 -5.740 -25.859 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.063 -5.377 -25.115 1.00 0.00 H new ATOM 37 N SER A 5 -8.133 -7.187 -23.903 1.00 0.00 N ATOM 38 CA SER A 5 -8.601 -7.978 -22.771 1.00 0.00 C ATOM 39 C SER A 5 -7.721 -9.208 -22.567 1.00 0.00 C ATOM 40 O SER A 5 -7.664 -10.093 -23.421 1.00 0.00 O ATOM 41 CB SER A 5 -10.053 -8.407 -22.988 1.00 0.00 C ATOM 42 OG SER A 5 -10.725 -8.577 -21.751 1.00 0.00 O ATOM 0 H SER A 5 -8.269 -7.630 -24.812 1.00 0.00 H new ATOM 0 HA SER A 5 -8.542 -7.358 -21.877 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.571 -7.658 -23.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.080 -9.340 -23.551 1.00 0.00 H new ATOM 0 HG SER A 5 -11.652 -8.850 -21.917 1.00 0.00 H new ATOM 48 N SER A 6 -7.035 -9.255 -21.429 1.00 0.00 N ATOM 49 CA SER A 6 -6.154 -10.373 -21.113 1.00 0.00 C ATOM 50 C SER A 6 -6.447 -10.918 -19.718 1.00 0.00 C ATOM 51 O SER A 6 -6.746 -10.162 -18.795 1.00 0.00 O ATOM 52 CB SER A 6 -4.691 -9.939 -21.206 1.00 0.00 C ATOM 53 OG SER A 6 -3.832 -10.916 -20.645 1.00 0.00 O ATOM 0 H SER A 6 -7.073 -8.532 -20.711 1.00 0.00 H new ATOM 0 HA SER A 6 -6.337 -11.165 -21.840 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.424 -9.772 -22.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.556 -8.990 -20.686 1.00 0.00 H new ATOM 0 HG SER A 6 -2.902 -10.615 -20.719 1.00 0.00 H new ATOM 59 N GLY A 7 -6.359 -12.237 -19.574 1.00 0.00 N ATOM 60 CA GLY A 7 -6.618 -12.862 -18.290 1.00 0.00 C ATOM 61 C GLY A 7 -5.991 -14.238 -18.179 1.00 0.00 C ATOM 62 O GLY A 7 -5.686 -14.871 -19.188 1.00 0.00 O ATOM 0 H GLY A 7 -6.113 -12.884 -20.324 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.232 -12.225 -17.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.694 -12.943 -18.139 1.00 0.00 H new ATOM 66 N ASN A 8 -5.798 -14.700 -16.948 1.00 0.00 N ATOM 67 CA ASN A 8 -5.202 -16.009 -16.708 1.00 0.00 C ATOM 68 C ASN A 8 -5.246 -16.363 -15.225 1.00 0.00 C ATOM 69 O ASN A 8 -5.287 -15.482 -14.367 1.00 0.00 O ATOM 70 CB ASN A 8 -3.756 -16.033 -17.207 1.00 0.00 C ATOM 71 CG ASN A 8 -2.880 -15.024 -16.490 1.00 0.00 C ATOM 72 OD1 ASN A 8 -2.512 -15.218 -15.331 1.00 0.00 O ATOM 73 ND2 ASN A 8 -2.542 -13.939 -17.178 1.00 0.00 N ATOM 0 H ASN A 8 -6.046 -14.188 -16.102 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.781 -16.751 -17.258 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.343 -17.032 -17.068 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.740 -15.828 -18.277 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.954 -13.225 -16.748 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.870 -13.820 -18.136 1.00 0.00 H new ATOM 80 N ALA A 9 -5.235 -17.659 -14.931 1.00 0.00 N ATOM 81 CA ALA A 9 -5.271 -18.130 -13.552 1.00 0.00 C ATOM 82 C ALA A 9 -3.931 -17.904 -12.860 1.00 0.00 C ATOM 83 O ALA A 9 -2.933 -18.539 -13.198 1.00 0.00 O ATOM 84 CB ALA A 9 -5.648 -19.604 -13.507 1.00 0.00 C ATOM 0 H ALA A 9 -5.201 -18.402 -15.630 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.028 -17.556 -13.018 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.671 -19.942 -12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.632 -19.742 -13.956 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.912 -20.185 -14.062 1.00 0.00 H new ATOM 90 N GLN A 10 -3.918 -16.994 -11.890 1.00 0.00 N ATOM 91 CA GLN A 10 -2.699 -16.684 -11.152 1.00 0.00 C ATOM 92 C GLN A 10 -3.008 -15.833 -9.925 1.00 0.00 C ATOM 93 O GLN A 10 -3.812 -14.903 -9.989 1.00 0.00 O ATOM 94 CB GLN A 10 -1.703 -15.954 -12.055 1.00 0.00 C ATOM 95 CG GLN A 10 -0.255 -16.115 -11.618 1.00 0.00 C ATOM 96 CD GLN A 10 0.235 -17.545 -11.737 1.00 0.00 C ATOM 97 OE1 GLN A 10 0.432 -18.231 -10.733 1.00 0.00 O ATOM 98 NE2 GLN A 10 0.434 -18.002 -12.967 1.00 0.00 N ATOM 0 H GLN A 10 -4.736 -16.460 -11.598 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.257 -17.623 -10.819 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.810 -16.325 -13.074 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.952 -14.893 -12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.378 -15.467 -12.224 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.153 -15.785 -10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.258 -17.398 -13.770 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.763 -18.957 -13.109 1.00 0.00 H new ATOM 107 N ARG A 11 -2.365 -16.159 -8.808 1.00 0.00 N ATOM 108 CA ARG A 11 -2.573 -15.426 -7.565 1.00 0.00 C ATOM 109 C ARG A 11 -2.646 -13.924 -7.826 1.00 0.00 C ATOM 110 O ARG A 11 -2.140 -13.434 -8.835 1.00 0.00 O ATOM 111 CB ARG A 11 -1.447 -15.729 -6.575 1.00 0.00 C ATOM 112 CG ARG A 11 -1.729 -16.921 -5.677 1.00 0.00 C ATOM 113 CD ARG A 11 -2.811 -16.606 -4.656 1.00 0.00 C ATOM 114 NE ARG A 11 -2.263 -15.996 -3.447 1.00 0.00 N ATOM 115 CZ ARG A 11 -1.548 -16.663 -2.547 1.00 0.00 C ATOM 116 NH1 ARG A 11 -1.298 -17.954 -2.719 1.00 0.00 N ATOM 117 NH2 ARG A 11 -1.083 -16.039 -1.473 1.00 0.00 N ATOM 0 H ARG A 11 -1.696 -16.926 -8.739 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.521 -15.749 -7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.527 -15.913 -7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.275 -14.850 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.038 -17.771 -6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.815 -17.214 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.544 -15.933 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.338 -17.523 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.439 -15.004 -3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.655 -18.437 -3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.749 -18.464 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.274 -15.046 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.534 -16.552 -0.783 1.00 0.00 H new ATOM 131 N SER A 12 -3.280 -13.200 -6.909 1.00 0.00 N ATOM 132 CA SER A 12 -3.424 -11.755 -7.041 1.00 0.00 C ATOM 133 C SER A 12 -3.499 -11.089 -5.671 1.00 0.00 C ATOM 134 O SER A 12 -3.722 -11.750 -4.656 1.00 0.00 O ATOM 135 CB SER A 12 -4.675 -11.418 -7.854 1.00 0.00 C ATOM 136 OG SER A 12 -4.651 -12.061 -9.117 1.00 0.00 O ATOM 0 H SER A 12 -3.702 -13.591 -6.067 1.00 0.00 H new ATOM 0 HA SER A 12 -2.547 -11.374 -7.563 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.564 -11.725 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.743 -10.339 -7.993 1.00 0.00 H new ATOM 0 HG SER A 12 -5.462 -11.831 -9.617 1.00 0.00 H new ATOM 142 N THR A 13 -3.311 -9.773 -5.648 1.00 0.00 N ATOM 143 CA THR A 13 -3.356 -9.015 -4.404 1.00 0.00 C ATOM 144 C THR A 13 -2.392 -9.593 -3.374 1.00 0.00 C ATOM 145 O THR A 13 -2.787 -9.921 -2.254 1.00 0.00 O ATOM 146 CB THR A 13 -4.776 -8.997 -3.808 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.069 -10.261 -3.202 1.00 0.00 O ATOM 148 CG2 THR A 13 -5.810 -8.693 -4.882 1.00 0.00 C ATOM 0 H THR A 13 -3.126 -9.210 -6.478 1.00 0.00 H new ATOM 0 HA THR A 13 -3.058 -7.994 -4.644 1.00 0.00 H new ATOM 0 HB THR A 13 -4.819 -8.213 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.139 -10.948 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.805 -8.686 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.602 -7.718 -5.322 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.765 -9.458 -5.657 1.00 0.00 H new ATOM 156 N LEU A 14 -1.126 -9.714 -3.758 1.00 0.00 N ATOM 157 CA LEU A 14 -0.104 -10.252 -2.866 1.00 0.00 C ATOM 158 C LEU A 14 0.693 -9.129 -2.211 1.00 0.00 C ATOM 159 O LEU A 14 0.706 -8.993 -0.987 1.00 0.00 O ATOM 160 CB LEU A 14 0.837 -11.179 -3.637 1.00 0.00 C ATOM 161 CG LEU A 14 0.171 -12.158 -4.604 1.00 0.00 C ATOM 162 CD1 LEU A 14 -0.018 -11.515 -5.969 1.00 0.00 C ATOM 163 CD2 LEU A 14 0.994 -13.433 -4.723 1.00 0.00 C ATOM 0 H LEU A 14 -0.782 -9.447 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.604 -10.822 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.539 -10.564 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.421 -11.752 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.811 -12.418 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.493 -12.227 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.649 -10.631 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.952 -11.225 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.505 -14.118 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.989 -13.190 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.078 -13.905 -3.744 1.00 0.00 H new ATOM 175 N LYS A 15 1.356 -8.323 -3.034 1.00 0.00 N ATOM 176 CA LYS A 15 2.153 -7.208 -2.537 1.00 0.00 C ATOM 177 C LYS A 15 1.405 -6.448 -1.447 1.00 0.00 C ATOM 178 O LYS A 15 1.987 -6.071 -0.429 1.00 0.00 O ATOM 179 CB LYS A 15 2.510 -6.258 -3.683 1.00 0.00 C ATOM 180 CG LYS A 15 3.596 -5.258 -3.327 1.00 0.00 C ATOM 181 CD LYS A 15 4.382 -4.829 -4.555 1.00 0.00 C ATOM 182 CE LYS A 15 5.425 -3.777 -4.209 1.00 0.00 C ATOM 183 NZ LYS A 15 6.432 -3.617 -5.295 1.00 0.00 N ATOM 0 H LYS A 15 1.357 -8.422 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 15 3.071 -7.612 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.835 -6.845 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.614 -5.716 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.147 -4.383 -2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.273 -5.700 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.872 -5.697 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.698 -4.432 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.932 -2.822 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.929 -4.056 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.125 -2.892 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.921 -4.522 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.954 -3.326 -6.172 1.00 0.00 H new ATOM 197 N TRP A 16 0.114 -6.226 -1.666 1.00 0.00 N ATOM 198 CA TRP A 16 -0.713 -5.512 -0.701 1.00 0.00 C ATOM 199 C TRP A 16 -0.494 -6.051 0.709 1.00 0.00 C ATOM 200 O TRP A 16 -0.231 -5.290 1.639 1.00 0.00 O ATOM 201 CB TRP A 16 -2.191 -5.627 -1.080 1.00 0.00 C ATOM 202 CG TRP A 16 -2.566 -4.792 -2.267 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.767 -4.468 -3.326 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.834 -4.174 -2.514 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.462 -3.685 -4.217 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.732 -3.492 -3.742 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.045 -4.133 -1.818 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.796 -2.777 -4.286 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.100 -3.422 -2.359 1.00 0.00 C ATOM 210 CH2 TRP A 16 -5.970 -2.753 -3.583 1.00 0.00 C ATOM 0 H TRP A 16 -0.382 -6.530 -2.503 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.421 -4.462 -0.718 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.425 -6.671 -1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.802 -5.329 -0.228 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.740 -4.781 -3.446 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.092 -3.309 -5.090 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.155 -4.647 -0.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.698 -2.260 -5.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.040 -3.382 -1.829 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.813 -2.207 -3.980 1.00 0.00 H new ATOM 221 N GLU A 17 -0.605 -7.367 0.858 1.00 0.00 N ATOM 222 CA GLU A 17 -0.419 -8.006 2.155 1.00 0.00 C ATOM 223 C GLU A 17 0.900 -7.575 2.790 1.00 0.00 C ATOM 224 O GLU A 17 1.048 -7.588 4.013 1.00 0.00 O ATOM 225 CB GLU A 17 -0.453 -9.529 2.008 1.00 0.00 C ATOM 226 CG GLU A 17 -0.140 -10.272 3.296 1.00 0.00 C ATOM 227 CD GLU A 17 -1.187 -10.048 4.369 1.00 0.00 C ATOM 228 OE1 GLU A 17 -2.390 -10.192 4.064 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.804 -9.728 5.514 1.00 0.00 O ATOM 0 H GLU A 17 -0.823 -8.011 0.097 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.235 -7.693 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.440 -9.830 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.263 -9.828 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.063 -11.339 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.832 -9.950 3.670 1.00 0.00 H new ATOM 236 N LYS A 18 1.857 -7.195 1.951 1.00 0.00 N ATOM 237 CA LYS A 18 3.165 -6.759 2.427 1.00 0.00 C ATOM 238 C LYS A 18 3.159 -5.267 2.744 1.00 0.00 C ATOM 239 O LYS A 18 3.603 -4.848 3.812 1.00 0.00 O ATOM 240 CB LYS A 18 4.239 -7.065 1.382 1.00 0.00 C ATOM 241 CG LYS A 18 4.524 -8.548 1.219 1.00 0.00 C ATOM 242 CD LYS A 18 3.579 -9.191 0.218 1.00 0.00 C ATOM 243 CE LYS A 18 3.355 -10.663 0.528 1.00 0.00 C ATOM 244 NZ LYS A 18 2.852 -11.409 -0.658 1.00 0.00 N ATOM 0 H LYS A 18 1.752 -7.180 0.937 1.00 0.00 H new ATOM 0 HA LYS A 18 3.392 -7.306 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.926 -6.656 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.161 -6.555 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.554 -8.687 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.427 -9.046 2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.624 -8.666 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.987 -9.088 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.290 -11.109 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.641 -10.757 1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.904 -12.431 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.864 -11.141 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.435 -11.177 -1.487 1.00 0.00 H new ATOM 258 N GLU A 19 2.651 -4.470 1.808 1.00 0.00 N ATOM 259 CA GLU A 19 2.587 -3.025 1.989 1.00 0.00 C ATOM 260 C GLU A 19 1.657 -2.661 3.142 1.00 0.00 C ATOM 261 O GLU A 19 1.780 -1.592 3.739 1.00 0.00 O ATOM 262 CB GLU A 19 2.111 -2.348 0.702 1.00 0.00 C ATOM 263 CG GLU A 19 2.777 -2.887 -0.552 1.00 0.00 C ATOM 264 CD GLU A 19 4.184 -3.392 -0.295 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.066 -2.562 0.008 1.00 0.00 O ATOM 266 OE2 GLU A 19 4.402 -4.617 -0.395 1.00 0.00 O ATOM 0 H GLU A 19 2.278 -4.801 0.918 1.00 0.00 H new ATOM 0 HA GLU A 19 3.589 -2.670 2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.032 -2.474 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.302 -1.277 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.173 -3.698 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.809 -2.102 -1.308 1.00 0.00 H new ATOM 273 N GLU A 20 0.725 -3.559 3.449 1.00 0.00 N ATOM 274 CA GLU A 20 -0.227 -3.332 4.530 1.00 0.00 C ATOM 275 C GLU A 20 0.490 -3.224 5.873 1.00 0.00 C ATOM 276 O GLU A 20 -0.032 -2.638 6.821 1.00 0.00 O ATOM 277 CB GLU A 20 -1.257 -4.462 4.578 1.00 0.00 C ATOM 278 CG GLU A 20 -2.491 -4.198 3.732 1.00 0.00 C ATOM 279 CD GLU A 20 -3.502 -3.315 4.437 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.557 -3.354 5.684 1.00 0.00 O ATOM 281 OE2 GLU A 20 -4.239 -2.584 3.742 1.00 0.00 O ATOM 0 H GLU A 20 0.609 -4.449 2.965 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.741 -2.390 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.786 -5.386 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.563 -4.620 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.192 -3.726 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.960 -5.147 3.474 1.00 0.00 H new ATOM 288 N ALA A 21 1.688 -3.795 5.945 1.00 0.00 N ATOM 289 CA ALA A 21 2.477 -3.762 7.170 1.00 0.00 C ATOM 290 C ALA A 21 3.276 -2.468 7.274 1.00 0.00 C ATOM 291 O ALA A 21 3.539 -1.975 8.372 1.00 0.00 O ATOM 292 CB ALA A 21 3.407 -4.965 7.231 1.00 0.00 C ATOM 0 H ALA A 21 2.133 -4.286 5.170 1.00 0.00 H new ATOM 0 HA ALA A 21 1.791 -3.803 8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.990 -4.928 8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.818 -5.882 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.080 -4.948 6.374 1.00 0.00 H new ATOM 298 N LEU A 22 3.660 -1.921 6.126 1.00 0.00 N ATOM 299 CA LEU A 22 4.430 -0.683 6.088 1.00 0.00 C ATOM 300 C LEU A 22 3.565 0.509 6.484 1.00 0.00 C ATOM 301 O LEU A 22 4.076 1.583 6.798 1.00 0.00 O ATOM 302 CB LEU A 22 5.011 -0.463 4.690 1.00 0.00 C ATOM 303 CG LEU A 22 5.775 -1.643 4.088 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.958 -1.452 2.590 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.123 -1.812 4.774 1.00 0.00 C ATOM 0 H LEU A 22 3.451 -2.315 5.209 1.00 0.00 H new ATOM 0 HA LEU A 22 5.246 -0.770 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.195 -0.202 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.680 0.396 4.728 1.00 0.00 H new ATOM 0 HG LEU A 22 5.191 -2.549 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.504 -2.301 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.982 -1.381 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.520 -0.536 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.653 -2.656 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.714 -0.905 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.970 -1.996 5.837 1.00 0.00 H new ATOM 317 N GLY A 23 2.250 0.311 6.470 1.00 0.00 N ATOM 318 CA GLY A 23 1.335 1.377 6.832 1.00 0.00 C ATOM 319 C GLY A 23 1.567 2.639 6.025 1.00 0.00 C ATOM 320 O GLY A 23 1.365 2.653 4.811 1.00 0.00 O ATOM 0 H GLY A 23 1.802 -0.569 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.310 1.038 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.446 1.602 7.893 1.00 0.00 H new ATOM 324 N GLU A 24 1.992 3.702 6.701 1.00 0.00 N ATOM 325 CA GLU A 24 2.249 4.976 6.039 1.00 0.00 C ATOM 326 C GLU A 24 3.376 4.840 5.019 1.00 0.00 C ATOM 327 O GLU A 24 3.610 5.741 4.214 1.00 0.00 O ATOM 328 CB GLU A 24 2.604 6.049 7.069 1.00 0.00 C ATOM 329 CG GLU A 24 1.549 6.231 8.148 1.00 0.00 C ATOM 330 CD GLU A 24 2.028 7.105 9.290 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.761 6.595 10.163 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.669 8.301 9.311 1.00 0.00 O ATOM 0 H GLU A 24 2.166 3.706 7.706 1.00 0.00 H new ATOM 0 HA GLU A 24 1.341 5.274 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.552 5.789 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.753 6.999 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.656 6.673 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.262 5.255 8.538 1.00 0.00 H new ATOM 339 N MET A 25 4.071 3.708 5.061 1.00 0.00 N ATOM 340 CA MET A 25 5.174 3.455 4.141 1.00 0.00 C ATOM 341 C MET A 25 4.700 2.653 2.932 1.00 0.00 C ATOM 342 O MET A 25 5.420 2.520 1.943 1.00 0.00 O ATOM 343 CB MET A 25 6.300 2.705 4.855 1.00 0.00 C ATOM 344 CG MET A 25 7.372 3.619 5.425 1.00 0.00 C ATOM 345 SD MET A 25 8.197 4.598 4.156 1.00 0.00 S ATOM 346 CE MET A 25 8.855 3.305 3.105 1.00 0.00 C ATOM 0 H MET A 25 3.890 2.952 5.721 1.00 0.00 H new ATOM 0 HA MET A 25 5.552 4.416 3.792 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.874 2.110 5.663 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.762 2.008 4.156 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.921 4.288 6.158 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.112 3.019 5.954 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.876 3.555 2.816 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.853 2.359 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.237 3.213 2.212 1.00 0.00 H new ATOM 356 N ALA A 26 3.485 2.122 3.020 1.00 0.00 N ATOM 357 CA ALA A 26 2.915 1.335 1.933 1.00 0.00 C ATOM 358 C ALA A 26 3.343 1.883 0.576 1.00 0.00 C ATOM 359 O ALA A 26 3.148 3.062 0.280 1.00 0.00 O ATOM 360 CB ALA A 26 1.397 1.310 2.039 1.00 0.00 C ATOM 0 H ALA A 26 2.876 2.222 3.832 1.00 0.00 H new ATOM 0 HA ALA A 26 3.291 0.316 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.985 0.719 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.106 0.865 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.011 2.328 1.981 1.00 0.00 H new ATOM 366 N THR A 27 3.930 1.019 -0.247 1.00 0.00 N ATOM 367 CA THR A 27 4.388 1.417 -1.573 1.00 0.00 C ATOM 368 C THR A 27 3.239 1.413 -2.575 1.00 0.00 C ATOM 369 O THR A 27 3.460 1.402 -3.787 1.00 0.00 O ATOM 370 CB THR A 27 5.504 0.486 -2.084 1.00 0.00 C ATOM 371 OG1 THR A 27 5.004 -0.849 -2.221 1.00 0.00 O ATOM 372 CG2 THR A 27 6.692 0.493 -1.134 1.00 0.00 C ATOM 0 H THR A 27 4.099 0.039 -0.019 1.00 0.00 H new ATOM 0 HA THR A 27 4.783 2.429 -1.481 1.00 0.00 H new ATOM 0 HB THR A 27 5.835 0.851 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.108 -1.326 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.467 -0.172 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.089 1.505 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.373 0.150 -0.150 1.00 0.00 H new ATOM 380 N VAL A 28 2.013 1.423 -2.063 1.00 0.00 N ATOM 381 CA VAL A 28 0.829 1.423 -2.915 1.00 0.00 C ATOM 382 C VAL A 28 -0.074 2.610 -2.600 1.00 0.00 C ATOM 383 O VAL A 28 -0.014 3.177 -1.509 1.00 0.00 O ATOM 384 CB VAL A 28 0.022 0.121 -2.753 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.675 -0.240 -4.056 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.926 -1.012 -2.291 1.00 0.00 C ATOM 0 H VAL A 28 1.813 1.431 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 28 1.179 1.499 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.742 0.279 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.240 -1.162 -3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.354 0.564 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.069 -0.380 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.339 -1.924 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.713 -1.173 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.374 -0.752 -1.332 1.00 0.00 H new ATOM 396 N ALA A 29 -0.911 2.981 -3.563 1.00 0.00 N ATOM 397 CA ALA A 29 -1.830 4.100 -3.388 1.00 0.00 C ATOM 398 C ALA A 29 -2.956 3.740 -2.426 1.00 0.00 C ATOM 399 O ALA A 29 -3.155 4.385 -1.396 1.00 0.00 O ATOM 400 CB ALA A 29 -2.399 4.530 -4.732 1.00 0.00 C ATOM 0 H ALA A 29 -0.972 2.523 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.273 4.932 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.083 5.366 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.586 4.837 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.936 3.696 -5.183 1.00 0.00 H new ATOM 406 N PRO A 30 -3.712 2.685 -2.766 1.00 0.00 N ATOM 407 CA PRO A 30 -4.832 2.216 -1.944 1.00 0.00 C ATOM 408 C PRO A 30 -4.367 1.585 -0.636 1.00 0.00 C ATOM 409 O PRO A 30 -4.843 1.943 0.441 1.00 0.00 O ATOM 410 CB PRO A 30 -5.509 1.169 -2.832 1.00 0.00 C ATOM 411 CG PRO A 30 -4.430 0.688 -3.740 1.00 0.00 C ATOM 412 CD PRO A 30 -3.531 1.869 -3.978 1.00 0.00 C ATOM 0 HA PRO A 30 -5.490 3.033 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.920 0.353 -2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.336 1.602 -3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.879 -0.137 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.845 0.318 -4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.492 1.564 -4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.816 2.416 -4.877 1.00 0.00 H new ATOM 420 N VAL A 31 -3.433 0.644 -0.737 1.00 0.00 N ATOM 421 CA VAL A 31 -2.902 -0.035 0.438 1.00 0.00 C ATOM 422 C VAL A 31 -2.325 0.962 1.436 1.00 0.00 C ATOM 423 O VAL A 31 -2.099 0.632 2.601 1.00 0.00 O ATOM 424 CB VAL A 31 -1.809 -1.051 0.054 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.507 -1.977 1.221 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.229 -1.845 -1.174 1.00 0.00 C ATOM 0 H VAL A 31 -3.029 0.335 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.735 -0.565 0.899 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.898 -0.505 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.733 -2.687 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.160 -1.390 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.411 -2.519 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.446 -2.558 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.153 -2.382 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.389 -1.164 -2.010 1.00 0.00 H new ATOM 436 N LEU A 32 -2.089 2.185 0.973 1.00 0.00 N ATOM 437 CA LEU A 32 -1.539 3.233 1.825 1.00 0.00 C ATOM 438 C LEU A 32 -2.652 4.058 2.462 1.00 0.00 C ATOM 439 O LEU A 32 -2.653 4.290 3.671 1.00 0.00 O ATOM 440 CB LEU A 32 -0.613 4.143 1.015 1.00 0.00 C ATOM 441 CG LEU A 32 -0.312 5.510 1.629 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.430 5.352 2.947 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.495 6.363 0.660 1.00 0.00 C ATOM 0 H LEU A 32 -2.270 2.475 0.012 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.965 2.756 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.331 3.621 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.058 4.298 0.032 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.258 6.014 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.636 6.336 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.183 4.779 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.370 4.828 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.700 7.333 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.436 5.863 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.073 6.505 -0.259 1.00 0.00 H new ATOM 455 N TYR A 33 -3.600 4.497 1.641 1.00 0.00 N ATOM 456 CA TYR A 33 -4.719 5.296 2.123 1.00 0.00 C ATOM 457 C TYR A 33 -5.377 4.640 3.333 1.00 0.00 C ATOM 458 O TYR A 33 -5.475 5.240 4.404 1.00 0.00 O ATOM 459 CB TYR A 33 -5.752 5.490 1.011 1.00 0.00 C ATOM 460 CG TYR A 33 -7.071 6.045 1.499 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.087 5.200 1.927 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.301 7.415 1.533 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.294 5.702 2.373 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.504 7.927 1.979 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.498 7.066 2.397 1.00 0.00 C ATOM 466 OH TYR A 33 -10.698 7.571 2.842 1.00 0.00 O ATOM 0 H TYR A 33 -3.615 4.312 0.638 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.332 6.269 2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.341 6.163 0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.929 4.533 0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.930 4.132 1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.526 8.091 1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.074 5.030 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.666 8.995 2.000 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.572 7.987 3.721 1.00 0.00 H new ATOM 476 N THR A 34 -5.824 3.401 3.156 1.00 0.00 N ATOM 477 CA THR A 34 -6.473 2.661 4.231 1.00 0.00 C ATOM 478 C THR A 34 -5.574 2.576 5.459 1.00 0.00 C ATOM 479 O THR A 34 -6.006 2.856 6.576 1.00 0.00 O ATOM 480 CB THR A 34 -6.849 1.235 3.784 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.750 0.633 3.091 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.074 1.256 2.883 1.00 0.00 C ATOM 0 H THR A 34 -5.748 2.888 2.277 1.00 0.00 H new ATOM 0 HA THR A 34 -7.382 3.205 4.486 1.00 0.00 H new ATOM 0 HB THR A 34 -7.082 0.649 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.674 -0.308 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.320 0.238 2.580 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.916 1.688 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.865 1.857 1.998 1.00 0.00 H new ATOM 490 N ASN A 35 -4.321 2.188 5.244 1.00 0.00 N ATOM 491 CA ASN A 35 -3.361 2.067 6.335 1.00 0.00 C ATOM 492 C ASN A 35 -3.449 3.266 7.274 1.00 0.00 C ATOM 493 O ASN A 35 -3.266 3.135 8.485 1.00 0.00 O ATOM 494 CB ASN A 35 -1.940 1.942 5.781 1.00 0.00 C ATOM 495 CG ASN A 35 -1.589 0.516 5.405 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.257 -0.430 5.823 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.536 0.355 4.613 1.00 0.00 N ATOM 0 H ASN A 35 -3.947 1.952 4.325 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.604 1.167 6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.837 2.582 4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.230 2.304 6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.251 -0.582 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.011 1.168 4.290 1.00 0.00 H new ATOM 504 N ILE A 36 -3.731 4.434 6.707 1.00 0.00 N ATOM 505 CA ILE A 36 -3.846 5.657 7.493 1.00 0.00 C ATOM 506 C ILE A 36 -5.290 5.905 7.916 1.00 0.00 C ATOM 507 O ILE A 36 -5.600 5.950 9.105 1.00 0.00 O ATOM 508 CB ILE A 36 -3.334 6.880 6.710 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.877 6.672 6.292 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.476 8.142 7.547 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.418 7.619 5.206 1.00 0.00 C ATOM 0 H ILE A 36 -3.884 4.560 5.706 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.229 5.521 8.381 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.937 6.995 5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.236 6.795 7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.750 5.646 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.110 8.998 6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.525 8.296 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.895 8.038 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.376 7.414 4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.034 7.480 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.512 8.647 5.556 1.00 0.00 H new ATOM 523 N ASN A 37 -6.169 6.065 6.932 1.00 0.00 N ATOM 524 CA ASN A 37 -7.582 6.308 7.201 1.00 0.00 C ATOM 525 C ASN A 37 -8.153 5.232 8.121 1.00 0.00 C ATOM 526 O ASN A 37 -8.734 5.536 9.163 1.00 0.00 O ATOM 527 CB ASN A 37 -8.372 6.348 5.892 1.00 0.00 C ATOM 528 CG ASN A 37 -8.311 7.707 5.221 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.325 8.391 5.085 1.00 0.00 O ATOM 530 ND2 ASN A 37 -7.116 8.104 4.798 1.00 0.00 N ATOM 0 H ASN A 37 -5.928 6.031 5.941 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.671 7.273 7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.981 5.592 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.412 6.090 6.091 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.012 9.009 4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.302 7.504 4.932 1.00 0.00 H new ATOM 537 N PHE A 38 -7.983 3.974 7.727 1.00 0.00 N ATOM 538 CA PHE A 38 -8.481 2.853 8.515 1.00 0.00 C ATOM 539 C PHE A 38 -7.335 2.123 9.209 1.00 0.00 C ATOM 540 O PHE A 38 -6.784 1.149 8.695 1.00 0.00 O ATOM 541 CB PHE A 38 -9.255 1.880 7.623 1.00 0.00 C ATOM 542 CG PHE A 38 -10.545 2.443 7.100 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.544 3.384 6.083 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.760 2.031 7.624 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.729 3.904 5.599 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.948 2.547 7.144 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.933 3.486 6.130 1.00 0.00 C ATOM 0 H PHE A 38 -7.504 3.706 6.867 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.151 3.248 9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.625 1.592 6.781 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.467 0.972 8.188 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.605 3.715 5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.778 1.298 8.417 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.714 4.637 4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.888 2.217 7.561 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.861 3.892 5.754 1.00 0.00 H new ATOM 557 N PRO A 39 -6.965 2.605 10.405 1.00 0.00 N ATOM 558 CA PRO A 39 -5.881 2.014 11.195 1.00 0.00 C ATOM 559 C PRO A 39 -6.250 0.644 11.752 1.00 0.00 C ATOM 560 O PRO A 39 -5.402 -0.241 11.861 1.00 0.00 O ATOM 561 CB PRO A 39 -5.685 3.019 12.334 1.00 0.00 C ATOM 562 CG PRO A 39 -7.000 3.705 12.465 1.00 0.00 C ATOM 563 CD PRO A 39 -7.577 3.763 11.078 1.00 0.00 C ATOM 0 HA PRO A 39 -4.985 1.846 10.597 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.406 2.517 13.261 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.890 3.728 12.104 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.660 3.159 13.139 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.878 4.706 12.879 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.665 3.691 11.092 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.326 4.698 10.577 1.00 0.00 H new ATOM 571 N ASN A 40 -7.521 0.475 12.102 1.00 0.00 N ATOM 572 CA ASN A 40 -8.002 -0.789 12.648 1.00 0.00 C ATOM 573 C ASN A 40 -8.494 -1.710 11.535 1.00 0.00 C ATOM 574 O ASN A 40 -9.100 -2.750 11.798 1.00 0.00 O ATOM 575 CB ASN A 40 -9.127 -0.539 13.654 1.00 0.00 C ATOM 576 CG ASN A 40 -8.622 0.073 14.946 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.216 -0.638 15.865 1.00 0.00 O ATOM 578 ND2 ASN A 40 -8.646 1.398 15.022 1.00 0.00 N ATOM 0 H ASN A 40 -8.236 1.197 12.017 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.171 -1.276 13.157 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.869 0.123 13.208 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.630 -1.481 13.874 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.319 1.866 15.867 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.991 1.948 14.235 1.00 0.00 H new ATOM 585 N LEU A 41 -8.231 -1.321 10.293 1.00 0.00 N ATOM 586 CA LEU A 41 -8.646 -2.111 9.139 1.00 0.00 C ATOM 587 C LEU A 41 -8.521 -3.603 9.428 1.00 0.00 C ATOM 588 O LEU A 41 -9.435 -4.380 9.150 1.00 0.00 O ATOM 589 CB LEU A 41 -7.805 -1.744 7.916 1.00 0.00 C ATOM 590 CG LEU A 41 -8.357 -2.192 6.562 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.526 -1.313 6.145 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.264 -2.166 5.504 1.00 0.00 C ATOM 0 H LEU A 41 -7.732 -0.463 10.059 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.692 -1.886 8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.683 -0.661 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.811 -2.174 8.041 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.716 -3.217 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.906 -1.647 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.318 -1.383 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.193 -0.278 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.676 -2.488 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.874 -1.153 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.458 -2.839 5.797 1.00 0.00 H new ATOM 604 N LYS A 42 -7.383 -3.999 9.989 1.00 0.00 N ATOM 605 CA LYS A 42 -7.139 -5.398 10.320 1.00 0.00 C ATOM 606 C LYS A 42 -8.278 -5.965 11.161 1.00 0.00 C ATOM 607 O LYS A 42 -8.922 -6.939 10.772 1.00 0.00 O ATOM 608 CB LYS A 42 -5.814 -5.541 11.073 1.00 0.00 C ATOM 609 CG LYS A 42 -4.611 -5.051 10.286 1.00 0.00 C ATOM 610 CD LYS A 42 -3.316 -5.632 10.828 1.00 0.00 C ATOM 611 CE LYS A 42 -3.186 -7.110 10.496 1.00 0.00 C ATOM 612 NZ LYS A 42 -1.772 -7.573 10.565 1.00 0.00 N ATOM 0 H LYS A 42 -6.615 -3.370 10.224 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.084 -5.962 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.876 -4.986 12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.665 -6.589 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.724 -5.327 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.567 -3.963 10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.469 -5.088 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.279 -5.496 11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.793 -7.692 11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.580 -7.293 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.727 -8.586 10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.197 -7.035 9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.404 -7.422 11.526 1.00 0.00 H new ATOM 626 N GLU A 43 -8.521 -5.349 12.313 1.00 0.00 N ATOM 627 CA GLU A 43 -9.583 -5.794 13.207 1.00 0.00 C ATOM 628 C GLU A 43 -10.926 -5.825 12.484 1.00 0.00 C ATOM 629 O GLU A 43 -11.558 -6.875 12.371 1.00 0.00 O ATOM 630 CB GLU A 43 -9.670 -4.876 14.428 1.00 0.00 C ATOM 631 CG GLU A 43 -8.378 -4.795 15.223 1.00 0.00 C ATOM 632 CD GLU A 43 -8.285 -5.863 16.295 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.342 -6.272 16.820 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.154 -6.291 16.610 1.00 0.00 O ATOM 0 H GLU A 43 -7.997 -4.541 12.649 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.345 -6.805 13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.948 -3.874 14.100 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.467 -5.230 15.082 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.531 -4.893 14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.303 -3.812 15.687 1.00 0.00 H new ATOM 641 N GLU A 44 -11.356 -4.666 11.996 1.00 0.00 N ATOM 642 CA GLU A 44 -12.624 -4.560 11.284 1.00 0.00 C ATOM 643 C GLU A 44 -12.801 -5.722 10.311 1.00 0.00 C ATOM 644 O GLU A 44 -13.883 -6.299 10.206 1.00 0.00 O ATOM 645 CB GLU A 44 -12.702 -3.231 10.529 1.00 0.00 C ATOM 646 CG GLU A 44 -13.272 -2.092 11.357 1.00 0.00 C ATOM 647 CD GLU A 44 -13.548 -0.852 10.531 1.00 0.00 C ATOM 648 OE1 GLU A 44 -14.642 -0.769 9.933 1.00 0.00 O ATOM 649 OE2 GLU A 44 -12.672 0.036 10.481 1.00 0.00 O ATOM 0 H GLU A 44 -10.845 -3.787 12.081 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.428 -4.599 12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.703 -2.957 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.316 -3.364 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.196 -2.420 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.573 -1.844 12.156 1.00 0.00 H new ATOM 656 N PHE A 45 -11.729 -6.060 9.601 1.00 0.00 N ATOM 657 CA PHE A 45 -11.765 -7.151 8.635 1.00 0.00 C ATOM 658 C PHE A 45 -10.535 -8.043 8.777 1.00 0.00 C ATOM 659 O PHE A 45 -9.477 -7.780 8.204 1.00 0.00 O ATOM 660 CB PHE A 45 -11.847 -6.598 7.211 1.00 0.00 C ATOM 661 CG PHE A 45 -12.887 -5.528 7.043 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.573 -4.197 7.266 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.179 -5.853 6.663 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.528 -3.210 7.111 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.138 -4.870 6.507 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.813 -3.547 6.732 1.00 0.00 C ATOM 0 H PHE A 45 -10.825 -5.594 9.677 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.653 -7.751 8.835 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.874 -6.195 6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.064 -7.416 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.571 -3.928 7.564 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.440 -6.886 6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.270 -2.176 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.141 -5.137 6.209 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.561 -2.778 6.612 1.00 0.00 H new ATOM 676 N PRO A 46 -10.674 -9.124 9.559 1.00 0.00 N ATOM 677 CA PRO A 46 -9.585 -10.077 9.794 1.00 0.00 C ATOM 678 C PRO A 46 -9.254 -10.897 8.552 1.00 0.00 C ATOM 679 O PRO A 46 -8.091 -11.015 8.167 1.00 0.00 O ATOM 680 CB PRO A 46 -10.137 -10.980 10.900 1.00 0.00 C ATOM 681 CG PRO A 46 -11.618 -10.894 10.756 1.00 0.00 C ATOM 682 CD PRO A 46 -11.906 -9.499 10.272 1.00 0.00 C ATOM 0 HA PRO A 46 -8.654 -9.575 10.059 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.787 -12.006 10.785 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.815 -10.642 11.885 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.985 -11.637 10.048 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.115 -11.088 11.707 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.775 -9.473 9.614 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.113 -8.821 11.100 1.00 0.00 H new ATOM 690 N ASP A 47 -10.283 -11.461 7.929 1.00 0.00 N ATOM 691 CA ASP A 47 -10.101 -12.269 6.729 1.00 0.00 C ATOM 692 C ASP A 47 -9.604 -11.413 5.568 1.00 0.00 C ATOM 693 O ASP A 47 -10.313 -10.528 5.090 1.00 0.00 O ATOM 694 CB ASP A 47 -11.413 -12.957 6.348 1.00 0.00 C ATOM 695 CG ASP A 47 -12.053 -13.673 7.520 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.324 -14.360 8.265 1.00 0.00 O ATOM 697 OD2 ASP A 47 -13.284 -13.548 7.693 1.00 0.00 O ATOM 0 H ASP A 47 -11.252 -11.373 8.235 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.350 -13.030 6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.108 -12.215 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.225 -13.673 5.547 1.00 0.00 H new ATOM 702 N TRP A 48 -8.383 -11.683 5.121 1.00 0.00 N ATOM 703 CA TRP A 48 -7.792 -10.937 4.016 1.00 0.00 C ATOM 704 C TRP A 48 -8.772 -10.815 2.855 1.00 0.00 C ATOM 705 O TRP A 48 -9.177 -9.713 2.483 1.00 0.00 O ATOM 706 CB TRP A 48 -6.506 -11.618 3.545 1.00 0.00 C ATOM 707 CG TRP A 48 -5.893 -10.963 2.344 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.677 -11.531 1.122 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.415 -9.616 2.253 1.00 0.00 C ATOM 710 NE1 TRP A 48 -5.094 -10.619 0.275 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.923 -9.437 0.945 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.356 -8.545 3.148 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.380 -8.229 0.514 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.816 -7.347 2.718 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.335 -7.197 1.411 1.00 0.00 C ATOM 0 H TRP A 48 -7.783 -12.412 5.506 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.555 -9.935 4.373 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.782 -11.616 4.360 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.720 -12.661 3.312 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.927 -12.548 0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.831 -10.794 -0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.725 -8.651 4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.008 -8.111 -0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.764 -6.513 3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.920 -6.248 1.105 1.00 0.00 H new ATOM 726 N THR A 49 -9.151 -11.955 2.284 1.00 0.00 N ATOM 727 CA THR A 49 -10.083 -11.975 1.164 1.00 0.00 C ATOM 728 C THR A 49 -11.208 -10.967 1.367 1.00 0.00 C ATOM 729 O THR A 49 -11.782 -10.458 0.403 1.00 0.00 O ATOM 730 CB THR A 49 -10.694 -13.375 0.966 1.00 0.00 C ATOM 731 OG1 THR A 49 -9.733 -14.381 1.307 1.00 0.00 O ATOM 732 CG2 THR A 49 -11.150 -13.569 -0.472 1.00 0.00 C ATOM 0 H THR A 49 -8.826 -12.876 2.579 1.00 0.00 H new ATOM 0 HA THR A 49 -9.513 -11.706 0.274 1.00 0.00 H new ATOM 0 HB THR A 49 -11.561 -13.464 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.129 -15.268 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.578 -14.565 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.902 -12.820 -0.719 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.297 -13.461 -1.142 1.00 0.00 H new ATOM 740 N THR A 50 -11.520 -10.680 2.627 1.00 0.00 N ATOM 741 CA THR A 50 -12.578 -9.733 2.956 1.00 0.00 C ATOM 742 C THR A 50 -12.009 -8.341 3.210 1.00 0.00 C ATOM 743 O THR A 50 -12.655 -7.334 2.920 1.00 0.00 O ATOM 744 CB THR A 50 -13.371 -10.185 4.196 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.970 -11.463 3.956 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.451 -9.172 4.547 1.00 0.00 C ATOM 0 H THR A 50 -11.055 -11.090 3.437 1.00 0.00 H new ATOM 0 HA THR A 50 -13.249 -9.698 2.098 1.00 0.00 H new ATOM 0 HB THR A 50 -12.679 -10.260 5.034 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.471 -11.744 4.750 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.998 -9.513 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.990 -8.207 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.140 -9.069 3.709 1.00 0.00 H new ATOM 754 N ARG A 51 -10.797 -8.292 3.753 1.00 0.00 N ATOM 755 CA ARG A 51 -10.142 -7.023 4.046 1.00 0.00 C ATOM 756 C ARG A 51 -9.707 -6.326 2.760 1.00 0.00 C ATOM 757 O ARG A 51 -10.006 -5.150 2.548 1.00 0.00 O ATOM 758 CB ARG A 51 -8.930 -7.248 4.952 1.00 0.00 C ATOM 759 CG ARG A 51 -8.190 -5.969 5.308 1.00 0.00 C ATOM 760 CD ARG A 51 -7.150 -6.210 6.390 1.00 0.00 C ATOM 761 NE ARG A 51 -5.998 -6.954 5.887 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.201 -7.685 6.658 1.00 0.00 C ATOM 763 NH1 ARG A 51 -5.430 -7.770 7.961 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.173 -8.334 6.126 1.00 0.00 N ATOM 0 H ARG A 51 -10.249 -9.116 3.999 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.858 -6.383 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.259 -7.735 5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.240 -7.932 4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.705 -5.569 4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.903 -5.218 5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.816 -5.253 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.605 -6.760 7.214 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.794 -6.910 4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.220 -7.273 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.817 -8.332 8.551 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.994 -8.272 5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.562 -8.895 6.719 1.00 0.00 H new ATOM 778 N VAL A 52 -9.000 -7.058 1.906 1.00 0.00 N ATOM 779 CA VAL A 52 -8.524 -6.510 0.641 1.00 0.00 C ATOM 780 C VAL A 52 -9.629 -5.741 -0.074 1.00 0.00 C ATOM 781 O VAL A 52 -9.415 -4.628 -0.556 1.00 0.00 O ATOM 782 CB VAL A 52 -8.001 -7.620 -0.290 1.00 0.00 C ATOM 783 CG1 VAL A 52 -9.117 -8.593 -0.640 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.394 -7.018 -1.548 1.00 0.00 C ATOM 0 H VAL A 52 -8.744 -8.032 2.067 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.706 -5.830 0.878 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.221 -8.172 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.729 -9.370 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.502 -9.049 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.921 -8.058 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.030 -7.817 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.152 -6.440 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.565 -6.365 -1.275 1.00 0.00 H new ATOM 794 N LYS A 53 -10.813 -6.340 -0.140 1.00 0.00 N ATOM 795 CA LYS A 53 -11.954 -5.712 -0.795 1.00 0.00 C ATOM 796 C LYS A 53 -12.231 -4.334 -0.202 1.00 0.00 C ATOM 797 O LYS A 53 -12.357 -3.350 -0.930 1.00 0.00 O ATOM 798 CB LYS A 53 -13.196 -6.596 -0.661 1.00 0.00 C ATOM 799 CG LYS A 53 -13.038 -7.967 -1.294 1.00 0.00 C ATOM 800 CD LYS A 53 -14.111 -8.930 -0.815 1.00 0.00 C ATOM 801 CE LYS A 53 -14.112 -10.214 -1.629 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.749 -11.339 -0.890 1.00 0.00 N ATOM 0 H LYS A 53 -11.008 -7.261 0.253 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.714 -5.592 -1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.432 -6.718 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.044 -6.088 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.088 -7.876 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.054 -8.369 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.947 -9.165 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.088 -8.452 -0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.643 -10.049 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.087 -10.482 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.730 -12.196 -1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.228 -11.514 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.735 -11.094 -0.667 1.00 0.00 H new ATOM 816 N GLN A 54 -12.322 -4.273 1.122 1.00 0.00 N ATOM 817 CA GLN A 54 -12.583 -3.015 1.812 1.00 0.00 C ATOM 818 C GLN A 54 -11.589 -1.941 1.382 1.00 0.00 C ATOM 819 O GLN A 54 -11.932 -0.762 1.296 1.00 0.00 O ATOM 820 CB GLN A 54 -12.512 -3.215 3.327 1.00 0.00 C ATOM 821 CG GLN A 54 -13.716 -3.944 3.902 1.00 0.00 C ATOM 822 CD GLN A 54 -14.967 -3.087 3.910 1.00 0.00 C ATOM 823 OE1 GLN A 54 -16.033 -3.521 3.474 1.00 0.00 O ATOM 824 NE2 GLN A 54 -14.843 -1.863 4.409 1.00 0.00 N ATOM 0 H GLN A 54 -12.219 -5.079 1.738 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.586 -2.684 1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.609 -3.775 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.422 -2.242 3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.902 -4.846 3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.491 -4.262 4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.940 -1.544 4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.651 -1.241 4.442 1.00 0.00 H new ATOM 833 N ILE A 55 -10.356 -2.358 1.113 1.00 0.00 N ATOM 834 CA ILE A 55 -9.313 -1.432 0.691 1.00 0.00 C ATOM 835 C ILE A 55 -9.636 -0.821 -0.668 1.00 0.00 C ATOM 836 O ILE A 55 -9.427 0.371 -0.890 1.00 0.00 O ATOM 837 CB ILE A 55 -7.940 -2.127 0.615 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.486 -2.561 2.010 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.912 -1.201 -0.018 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.264 -3.453 1.997 1.00 0.00 C ATOM 0 H ILE A 55 -10.056 -3.330 1.180 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.271 -0.642 1.441 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.033 -3.016 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.272 -1.674 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.304 -3.086 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.947 -1.706 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.232 -0.937 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.819 -0.296 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.999 -3.722 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.480 -4.358 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.432 -2.923 1.534 1.00 0.00 H new ATOM 852 N ALA A 56 -10.150 -1.646 -1.574 1.00 0.00 N ATOM 853 CA ALA A 56 -10.507 -1.186 -2.911 1.00 0.00 C ATOM 854 C ALA A 56 -11.732 -0.279 -2.870 1.00 0.00 C ATOM 855 O ALA A 56 -11.675 0.878 -3.286 1.00 0.00 O ATOM 856 CB ALA A 56 -10.758 -2.374 -3.828 1.00 0.00 C ATOM 0 H ALA A 56 -10.329 -2.636 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.672 -0.607 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.024 -2.016 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.856 -2.983 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.575 -2.976 -3.429 1.00 0.00 H new ATOM 862 N LYS A 57 -12.841 -0.812 -2.367 1.00 0.00 N ATOM 863 CA LYS A 57 -14.081 -0.050 -2.271 1.00 0.00 C ATOM 864 C LYS A 57 -13.825 1.335 -1.687 1.00 0.00 C ATOM 865 O LYS A 57 -14.291 2.342 -2.223 1.00 0.00 O ATOM 866 CB LYS A 57 -15.098 -0.800 -1.408 1.00 0.00 C ATOM 867 CG LYS A 57 -14.815 -0.708 0.082 1.00 0.00 C ATOM 868 CD LYS A 57 -15.863 -1.450 0.895 1.00 0.00 C ATOM 869 CE LYS A 57 -17.039 -0.550 1.241 1.00 0.00 C ATOM 870 NZ LYS A 57 -18.100 -1.285 1.983 1.00 0.00 N ATOM 0 H LYS A 57 -12.906 -1.769 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.484 0.069 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.093 -0.402 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.109 -1.849 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.829 -1.123 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.792 0.339 0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.217 -2.314 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.412 -1.830 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.690 0.289 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.459 -0.133 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.574 -0.637 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.796 -1.664 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.672 -2.069 2.515 1.00 0.00 H new ATOM 884 N LEU A 58 -13.081 1.381 -0.588 1.00 0.00 N ATOM 885 CA LEU A 58 -12.761 2.644 0.068 1.00 0.00 C ATOM 886 C LEU A 58 -11.879 3.513 -0.824 1.00 0.00 C ATOM 887 O LEU A 58 -12.019 4.735 -0.849 1.00 0.00 O ATOM 888 CB LEU A 58 -12.059 2.385 1.402 1.00 0.00 C ATOM 889 CG LEU A 58 -12.899 1.701 2.481 1.00 0.00 C ATOM 890 CD1 LEU A 58 -12.002 1.044 3.519 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.838 2.700 3.140 1.00 0.00 C ATOM 0 H LEU A 58 -12.688 0.558 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.694 3.176 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.178 1.772 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.706 3.338 1.795 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.501 0.925 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.617 0.562 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.372 0.297 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.373 1.801 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.428 2.195 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.255 3.499 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.505 3.123 2.389 1.00 0.00 H new ATOM 903 N TRP A 59 -10.974 2.873 -1.554 1.00 0.00 N ATOM 904 CA TRP A 59 -10.071 3.587 -2.449 1.00 0.00 C ATOM 905 C TRP A 59 -10.849 4.320 -3.537 1.00 0.00 C ATOM 906 O TRP A 59 -10.666 5.520 -3.742 1.00 0.00 O ATOM 907 CB TRP A 59 -9.075 2.616 -3.085 1.00 0.00 C ATOM 908 CG TRP A 59 -8.157 3.268 -4.074 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.127 3.061 -5.424 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.137 4.232 -3.791 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.148 3.838 -5.996 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.527 4.566 -5.016 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.680 4.846 -2.622 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.486 5.485 -5.102 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.646 5.758 -2.709 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.058 6.071 -3.942 1.00 0.00 C ATOM 0 H TRP A 59 -10.846 1.861 -1.544 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.524 4.323 -1.860 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.479 2.151 -2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.625 1.817 -3.583 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.776 2.387 -5.962 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.921 3.868 -6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.127 4.612 -1.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.032 5.727 -6.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.285 6.238 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.252 6.789 -3.977 1.00 0.00 H new ATOM 927 N ARG A 60 -11.718 3.592 -4.230 1.00 0.00 N ATOM 928 CA ARG A 60 -12.523 4.174 -5.296 1.00 0.00 C ATOM 929 C ARG A 60 -13.382 5.319 -4.767 1.00 0.00 C ATOM 930 O ARG A 60 -13.415 6.404 -5.347 1.00 0.00 O ATOM 931 CB ARG A 60 -13.415 3.105 -5.932 1.00 0.00 C ATOM 932 CG ARG A 60 -12.645 2.065 -6.729 1.00 0.00 C ATOM 933 CD ARG A 60 -13.583 1.118 -7.461 1.00 0.00 C ATOM 934 NE ARG A 60 -13.920 -0.051 -6.653 1.00 0.00 N ATOM 935 CZ ARG A 60 -13.068 -1.039 -6.400 1.00 0.00 C ATOM 936 NH1 ARG A 60 -11.837 -0.999 -6.889 1.00 0.00 N ATOM 937 NH2 ARG A 60 -13.449 -2.070 -5.656 1.00 0.00 N ATOM 0 H ARG A 60 -11.882 2.598 -4.072 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.846 4.571 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.982 2.603 -5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.138 3.590 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.995 2.564 -7.448 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.001 1.495 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.496 1.648 -7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.117 0.794 -8.391 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.860 -0.112 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.541 -0.208 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.185 -1.759 -6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.396 -2.104 -5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.795 -2.828 -5.462 1.00 0.00 H new ATOM 951 N LYS A 61 -14.076 5.069 -3.662 1.00 0.00 N ATOM 952 CA LYS A 61 -14.935 6.077 -3.053 1.00 0.00 C ATOM 953 C LYS A 61 -14.230 7.429 -2.995 1.00 0.00 C ATOM 954 O LYS A 61 -14.816 8.459 -3.325 1.00 0.00 O ATOM 955 CB LYS A 61 -15.345 5.644 -1.643 1.00 0.00 C ATOM 956 CG LYS A 61 -16.523 4.686 -1.621 1.00 0.00 C ATOM 957 CD LYS A 61 -16.711 4.065 -0.247 1.00 0.00 C ATOM 958 CE LYS A 61 -17.465 4.998 0.688 1.00 0.00 C ATOM 959 NZ LYS A 61 -18.920 5.042 0.373 1.00 0.00 N ATOM 0 H LYS A 61 -14.060 4.176 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.828 6.178 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.493 5.171 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.596 6.529 -1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.430 5.217 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.367 3.899 -2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.256 3.126 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.738 3.827 0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.326 4.670 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.047 6.002 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.421 5.564 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.063 5.520 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.293 4.073 0.319 1.00 0.00 H new ATOM 973 N ALA A 62 -12.969 7.416 -2.575 1.00 0.00 N ATOM 974 CA ALA A 62 -12.184 8.641 -2.478 1.00 0.00 C ATOM 975 C ALA A 62 -12.007 9.289 -3.846 1.00 0.00 C ATOM 976 O ALA A 62 -11.573 8.642 -4.799 1.00 0.00 O ATOM 977 CB ALA A 62 -10.829 8.350 -1.850 1.00 0.00 C ATOM 0 H ALA A 62 -12.469 6.571 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.725 9.341 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.253 9.273 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.972 7.939 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.290 7.630 -2.465 1.00 0.00 H new ATOM 983 N SER A 63 -12.346 10.571 -3.937 1.00 0.00 N ATOM 984 CA SER A 63 -12.228 11.306 -5.191 1.00 0.00 C ATOM 985 C SER A 63 -10.781 11.332 -5.672 1.00 0.00 C ATOM 986 O SER A 63 -9.848 11.272 -4.871 1.00 0.00 O ATOM 987 CB SER A 63 -12.747 12.735 -5.020 1.00 0.00 C ATOM 988 OG SER A 63 -12.391 13.543 -6.129 1.00 0.00 O ATOM 0 H SER A 63 -12.705 11.122 -3.157 1.00 0.00 H new ATOM 0 HA SER A 63 -12.832 10.795 -5.941 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.831 12.721 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.339 13.166 -4.106 1.00 0.00 H new ATOM 0 HG SER A 63 -12.736 14.451 -5.996 1.00 0.00 H new ATOM 994 N SER A 64 -10.602 11.421 -6.986 1.00 0.00 N ATOM 995 CA SER A 64 -9.268 11.452 -7.575 1.00 0.00 C ATOM 996 C SER A 64 -8.380 12.463 -6.857 1.00 0.00 C ATOM 997 O SER A 64 -7.255 12.149 -6.467 1.00 0.00 O ATOM 998 CB SER A 64 -9.353 11.796 -9.063 1.00 0.00 C ATOM 999 OG SER A 64 -10.421 11.104 -9.687 1.00 0.00 O ATOM 0 H SER A 64 -11.363 11.473 -7.663 1.00 0.00 H new ATOM 0 HA SER A 64 -8.825 10.462 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.492 12.870 -9.184 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.414 11.539 -9.553 1.00 0.00 H new ATOM 0 HG SER A 64 -10.455 11.343 -10.637 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.893 13.677 -6.688 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.146 14.735 -6.018 1.00 0.00 C ATOM 1007 C GLN A 65 -7.692 14.287 -4.632 1.00 0.00 C ATOM 1008 O GLN A 65 -6.735 14.826 -4.079 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.001 15.998 -5.904 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.119 16.773 -7.207 1.00 0.00 C ATOM 1011 CD GLN A 65 -7.770 17.077 -7.828 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -7.112 18.053 -7.466 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -7.350 16.240 -8.770 1.00 0.00 N ATOM 0 H GLN A 65 -9.822 13.953 -7.006 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.262 14.956 -6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.999 15.722 -5.564 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.573 16.649 -5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.719 16.200 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.649 17.707 -7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.928 15.444 -9.039 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.450 16.394 -9.224 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.387 13.299 -4.078 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.056 12.781 -2.756 1.00 0.00 C ATOM 1024 C GLU A 66 -6.874 11.817 -2.830 1.00 0.00 C ATOM 1025 O GLU A 66 -6.024 11.791 -1.940 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.266 12.074 -2.142 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.075 11.697 -0.683 1.00 0.00 C ATOM 1028 CD GLU A 66 -8.717 12.888 0.186 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -9.552 13.809 0.303 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -7.602 12.897 0.748 1.00 0.00 O ATOM 0 H GLU A 66 -9.182 12.841 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.778 13.624 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.138 12.722 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.480 11.173 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.990 11.240 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.289 10.946 -0.606 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.829 11.028 -3.898 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.754 10.061 -4.088 1.00 0.00 C ATOM 1039 C ARG A 67 -4.492 10.747 -4.604 1.00 0.00 C ATOM 1040 O ARG A 67 -3.392 10.203 -4.503 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.189 8.968 -5.065 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.603 8.464 -4.826 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.206 7.874 -6.091 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.194 7.253 -6.941 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.373 7.004 -8.234 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.518 7.322 -8.822 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.405 6.436 -8.941 1.00 0.00 N ATOM 0 H ARG A 67 -7.524 11.039 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.532 9.607 -3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.117 9.352 -6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.496 8.130 -4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.593 7.709 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.228 9.284 -4.472 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.958 7.133 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.717 8.659 -6.649 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.301 6.996 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.265 7.759 -8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.652 7.130 -9.815 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.523 6.190 -8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.543 6.245 -9.933 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.659 11.943 -5.158 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.534 12.704 -5.688 1.00 0.00 C ATOM 1063 C ALA A 68 -2.270 12.456 -4.872 1.00 0.00 C ATOM 1064 O ALA A 68 -1.246 12.010 -5.389 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.866 14.188 -5.714 1.00 0.00 C ATOM 0 H ALA A 68 -5.563 12.406 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.348 12.367 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.017 14.744 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.738 14.355 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.082 14.530 -4.702 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.341 12.753 -3.566 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.211 12.570 -2.650 1.00 0.00 C ATOM 1073 C PRO A 69 -0.900 11.099 -2.399 1.00 0.00 C ATOM 1074 O PRO A 69 0.245 10.665 -2.532 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.687 13.243 -1.360 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.174 13.177 -1.425 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.530 13.288 -2.882 1.00 0.00 C ATOM 0 HA PRO A 69 -0.289 12.991 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.306 12.726 -0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.339 14.274 -1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.542 12.242 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.626 13.985 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.424 12.713 -3.122 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.728 14.321 -3.170 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.925 10.336 -2.036 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.760 8.913 -1.765 1.00 0.00 C ATOM 1087 C TYR A 70 -1.230 8.181 -2.995 1.00 0.00 C ATOM 1088 O TYR A 70 -0.752 7.051 -2.901 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.090 8.298 -1.326 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.687 8.956 -0.102 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.108 8.792 1.150 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.829 9.741 -0.198 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.649 9.391 2.271 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.377 10.345 0.917 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.784 10.167 2.150 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.327 10.765 3.263 1.00 0.00 O ATOM 0 H TYR A 70 -2.879 10.679 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.034 8.805 -0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.802 8.367 -2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.941 7.238 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.220 8.186 1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.297 9.882 -1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.186 9.253 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.265 10.953 0.824 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.122 11.276 3.005 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.320 8.836 -4.148 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.848 8.250 -5.398 1.00 0.00 C ATOM 1108 C VAL A 71 0.651 8.463 -5.573 1.00 0.00 C ATOM 1109 O VAL A 71 1.364 7.571 -6.031 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.586 8.848 -6.611 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.023 8.287 -7.908 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.080 8.582 -6.509 1.00 0.00 C ATOM 0 H VAL A 71 -1.715 9.772 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.056 7.181 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.432 9.927 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.556 8.721 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.036 8.534 -7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.145 7.204 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.586 9.011 -7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.257 7.507 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.469 9.037 -5.598 1.00 0.00 H new ATOM 1122 N GLN A 72 1.122 9.650 -5.205 1.00 0.00 N ATOM 1123 CA GLN A 72 2.537 9.980 -5.322 1.00 0.00 C ATOM 1124 C GLN A 72 3.333 9.381 -4.167 1.00 0.00 C ATOM 1125 O GLN A 72 4.424 8.844 -4.362 1.00 0.00 O ATOM 1126 CB GLN A 72 2.728 11.497 -5.357 1.00 0.00 C ATOM 1127 CG GLN A 72 4.159 11.936 -5.090 1.00 0.00 C ATOM 1128 CD GLN A 72 5.102 11.572 -6.220 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.132 12.235 -7.257 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.878 10.512 -6.025 1.00 0.00 N ATOM 0 H GLN A 72 0.544 10.399 -4.823 1.00 0.00 H new ATOM 0 HA GLN A 72 2.908 9.553 -6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.418 11.872 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.072 11.955 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.181 13.015 -4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.510 11.475 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.820 9.992 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.532 10.218 -6.751 1.00 0.00 H new ATOM 1139 N LYS A 73 2.781 9.478 -2.962 1.00 0.00 N ATOM 1140 CA LYS A 73 3.438 8.946 -1.774 1.00 0.00 C ATOM 1141 C LYS A 73 3.841 7.490 -1.982 1.00 0.00 C ATOM 1142 O LYS A 73 4.962 7.095 -1.662 1.00 0.00 O ATOM 1143 CB LYS A 73 2.513 9.062 -0.560 1.00 0.00 C ATOM 1144 CG LYS A 73 3.255 9.222 0.756 1.00 0.00 C ATOM 1145 CD LYS A 73 2.422 9.979 1.777 1.00 0.00 C ATOM 1146 CE LYS A 73 1.579 9.034 2.619 1.00 0.00 C ATOM 1147 NZ LYS A 73 0.368 9.708 3.165 1.00 0.00 N ATOM 0 H LYS A 73 1.880 9.920 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 73 4.339 9.532 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.849 9.915 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.883 8.174 -0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.512 8.239 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.192 9.752 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.078 10.559 2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.773 10.689 1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.277 8.179 2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.180 8.646 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.255 9.460 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.473 10.739 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.471 9.397 2.635 1.00 0.00 H new ATOM 1161 N ALA A 74 2.921 6.696 -2.520 1.00 0.00 N ATOM 1162 CA ALA A 74 3.182 5.285 -2.773 1.00 0.00 C ATOM 1163 C ALA A 74 4.432 5.103 -3.628 1.00 0.00 C ATOM 1164 O ALA A 74 5.221 4.185 -3.404 1.00 0.00 O ATOM 1165 CB ALA A 74 1.981 4.638 -3.446 1.00 0.00 C ATOM 0 H ALA A 74 1.988 7.007 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 74 3.354 4.795 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.190 3.584 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.109 4.728 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.782 5.138 -4.394 1.00 0.00 H new ATOM 1171 N ARG A 75 4.605 5.983 -4.609 1.00 0.00 N ATOM 1172 CA ARG A 75 5.758 5.918 -5.499 1.00 0.00 C ATOM 1173 C ARG A 75 7.036 6.313 -4.763 1.00 0.00 C ATOM 1174 O ARG A 75 8.068 5.654 -4.894 1.00 0.00 O ATOM 1175 CB ARG A 75 5.550 6.832 -6.707 1.00 0.00 C ATOM 1176 CG ARG A 75 4.283 6.527 -7.490 1.00 0.00 C ATOM 1177 CD ARG A 75 3.807 7.739 -8.275 1.00 0.00 C ATOM 1178 NE ARG A 75 4.444 7.828 -9.586 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.358 8.893 -10.374 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.666 9.955 -9.986 1.00 0.00 N ATOM 1181 NH2 ARG A 75 4.965 8.898 -11.554 1.00 0.00 N ATOM 0 H ARG A 75 3.962 6.749 -4.807 1.00 0.00 H new ATOM 0 HA ARG A 75 5.861 4.889 -5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.517 7.867 -6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.409 6.742 -7.372 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.467 5.699 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.499 6.206 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.725 7.687 -8.400 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.019 8.645 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 75 4.985 7.028 -9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.198 9.955 -9.080 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.602 10.772 -10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.498 8.083 -11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.898 9.717 -12.158 1.00 0.00 H new ATOM 1195 N ASP A 76 6.958 7.391 -3.991 1.00 0.00 N ATOM 1196 CA ASP A 76 8.108 7.874 -3.234 1.00 0.00 C ATOM 1197 C ASP A 76 8.521 6.862 -2.170 1.00 0.00 C ATOM 1198 O ASP A 76 9.707 6.681 -1.899 1.00 0.00 O ATOM 1199 CB ASP A 76 7.786 9.219 -2.581 1.00 0.00 C ATOM 1200 CG ASP A 76 9.027 10.057 -2.342 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.403 10.830 -3.248 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.621 9.940 -1.250 1.00 0.00 O ATOM 0 H ASP A 76 6.111 7.947 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 76 8.940 8.005 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.094 9.772 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.279 9.047 -1.632 1.00 0.00 H new ATOM 1207 N ASN A 77 7.533 6.207 -1.568 1.00 0.00 N ATOM 1208 CA ASN A 77 7.794 5.215 -0.531 1.00 0.00 C ATOM 1209 C ASN A 77 8.735 4.129 -1.043 1.00 0.00 C ATOM 1210 O ASN A 77 9.573 3.618 -0.299 1.00 0.00 O ATOM 1211 CB ASN A 77 6.483 4.587 -0.056 1.00 0.00 C ATOM 1212 CG ASN A 77 5.866 5.344 1.105 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.575 5.896 1.947 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.540 5.373 1.154 1.00 0.00 N ATOM 0 H ASN A 77 6.545 6.345 -1.780 1.00 0.00 H new ATOM 0 HA ASN A 77 8.272 5.720 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.776 4.559 -0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.665 3.555 0.243 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.068 5.867 1.911 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.993 4.901 0.434 1.00 0.00 H new ATOM 1221 N ARG A 78 8.591 3.781 -2.317 1.00 0.00 N ATOM 1222 CA ARG A 78 9.428 2.755 -2.928 1.00 0.00 C ATOM 1223 C ARG A 78 10.892 3.185 -2.943 1.00 0.00 C ATOM 1224 O ARG A 78 11.788 2.379 -2.695 1.00 0.00 O ATOM 1225 CB ARG A 78 8.956 2.464 -4.354 1.00 0.00 C ATOM 1226 CG ARG A 78 7.657 1.677 -4.417 1.00 0.00 C ATOM 1227 CD ARG A 78 7.394 1.146 -5.817 1.00 0.00 C ATOM 1228 NE ARG A 78 5.987 0.812 -6.021 1.00 0.00 N ATOM 1229 CZ ARG A 78 5.482 0.444 -7.193 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.264 0.363 -8.261 1.00 0.00 N ATOM 1231 NH2 ARG A 78 4.191 0.155 -7.299 1.00 0.00 N ATOM 0 H ARG A 78 7.903 4.194 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 78 9.340 1.847 -2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.825 3.407 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.733 1.909 -4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.700 0.845 -3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.829 2.314 -4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.699 1.892 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.005 0.260 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 78 5.358 0.864 -5.220 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.257 0.584 -8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.873 0.080 -9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.586 0.215 -6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.804 -0.128 -8.199 1.00 0.00 H new ATOM 1245 N ALA A 79 11.126 4.459 -3.237 1.00 0.00 N ATOM 1246 CA ALA A 79 12.480 4.997 -3.284 1.00 0.00 C ATOM 1247 C ALA A 79 13.165 4.875 -1.927 1.00 0.00 C ATOM 1248 O ALA A 79 14.276 4.355 -1.827 1.00 0.00 O ATOM 1249 CB ALA A 79 12.456 6.449 -3.737 1.00 0.00 C ATOM 0 H ALA A 79 10.395 5.139 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 79 13.052 4.413 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.474 6.838 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.013 6.513 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.863 7.039 -3.038 1.00 0.00 H new ATOM 1255 N ALA A 80 12.496 5.358 -0.886 1.00 0.00 N ATOM 1256 CA ALA A 80 13.041 5.302 0.465 1.00 0.00 C ATOM 1257 C ALA A 80 13.787 3.994 0.702 1.00 0.00 C ATOM 1258 O ALA A 80 14.931 3.993 1.160 1.00 0.00 O ATOM 1259 CB ALA A 80 11.929 5.471 1.490 1.00 0.00 C ATOM 0 H ALA A 80 11.576 5.793 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 80 13.752 6.121 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.350 5.427 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.442 6.435 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.197 4.672 1.368 1.00 0.00 H new ATOM 1265 N LEU A 81 13.133 2.880 0.390 1.00 0.00 N ATOM 1266 CA LEU A 81 13.735 1.564 0.570 1.00 0.00 C ATOM 1267 C LEU A 81 15.048 1.456 -0.198 1.00 0.00 C ATOM 1268 O LEU A 81 16.092 1.148 0.379 1.00 0.00 O ATOM 1269 CB LEU A 81 12.768 0.472 0.106 1.00 0.00 C ATOM 1270 CG LEU A 81 11.351 0.544 0.674 1.00 0.00 C ATOM 1271 CD1 LEU A 81 10.473 -0.535 0.059 1.00 0.00 C ATOM 1272 CD2 LEU A 81 11.377 0.414 2.190 1.00 0.00 C ATOM 0 H LEU A 81 12.186 2.862 0.011 1.00 0.00 H new ATOM 0 HA LEU A 81 13.944 1.429 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.704 0.510 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.194 -0.497 0.367 1.00 0.00 H new ATOM 0 HG LEU A 81 10.927 1.516 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.468 -0.468 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.428 -0.396 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.893 -1.516 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.360 0.467 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.820 -0.543 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.970 1.224 2.615 1.00 0.00 H new ATOM 1284 N ARG A 82 14.989 1.713 -1.500 1.00 0.00 N ATOM 1285 CA ARG A 82 16.175 1.645 -2.347 1.00 0.00 C ATOM 1286 C ARG A 82 17.363 2.326 -1.673 1.00 0.00 C ATOM 1287 O ARG A 82 18.458 1.766 -1.611 1.00 0.00 O ATOM 1288 CB ARG A 82 15.898 2.300 -3.701 1.00 0.00 C ATOM 1289 CG ARG A 82 17.137 2.451 -4.569 1.00 0.00 C ATOM 1290 CD ARG A 82 16.791 2.389 -6.049 1.00 0.00 C ATOM 1291 NE ARG A 82 16.432 3.700 -6.582 1.00 0.00 N ATOM 1292 CZ ARG A 82 15.843 3.879 -7.759 1.00 0.00 C ATOM 1293 NH1 ARG A 82 15.549 2.835 -8.522 1.00 0.00 N ATOM 1294 NH2 ARG A 82 15.548 5.103 -8.176 1.00 0.00 N ATOM 0 H ARG A 82 14.133 1.970 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 82 16.421 0.595 -2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.159 1.706 -4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.458 3.284 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.624 3.401 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.850 1.663 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.641 1.993 -6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.962 1.697 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 82 16.645 4.524 -6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.775 1.892 -8.205 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.097 2.975 -9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.773 5.909 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.096 5.239 -9.080 1.00 0.00 H new ATOM 1308 N ILE A 83 17.139 3.536 -1.172 1.00 0.00 N ATOM 1309 CA ILE A 83 18.190 4.292 -0.504 1.00 0.00 C ATOM 1310 C ILE A 83 18.583 3.638 0.817 1.00 0.00 C ATOM 1311 O ILE A 83 19.755 3.345 1.051 1.00 0.00 O ATOM 1312 CB ILE A 83 17.755 5.745 -0.234 1.00 0.00 C ATOM 1313 CG1 ILE A 83 17.531 6.486 -1.554 1.00 0.00 C ATOM 1314 CG2 ILE A 83 18.796 6.461 0.612 1.00 0.00 C ATOM 1315 CD1 ILE A 83 16.121 6.358 -2.087 1.00 0.00 C ATOM 0 H ILE A 83 16.239 4.014 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 83 19.049 4.297 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 83 16.815 5.731 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 83 17.763 7.542 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 83 18.229 6.103 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 83 18.474 7.486 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 83 18.911 5.942 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.750 6.468 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.035 6.908 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.892 5.307 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.419 6.767 -1.361 1.00 0.00 H new ATOM 1327 N ASN A 84 17.595 3.411 1.676 1.00 0.00 N ATOM 1328 CA ASN A 84 17.837 2.790 2.973 1.00 0.00 C ATOM 1329 C ASN A 84 17.929 1.273 2.840 1.00 0.00 C ATOM 1330 O ASN A 84 16.979 0.552 3.148 1.00 0.00 O ATOM 1331 CB ASN A 84 16.724 3.160 3.955 1.00 0.00 C ATOM 1332 CG ASN A 84 17.196 3.145 5.396 1.00 0.00 C ATOM 1333 OD1 ASN A 84 16.695 2.376 6.217 1.00 0.00 O ATOM 1334 ND2 ASN A 84 18.165 3.997 5.710 1.00 0.00 N ATOM 0 H ASN A 84 16.619 3.648 1.497 1.00 0.00 H new ATOM 0 HA ASN A 84 18.788 3.163 3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 84 16.342 4.151 3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.895 2.462 3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.524 4.032 6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 84 18.551 4.616 4.997 1.00 0.00 H new ATOM 1341 N LYS A 85 19.080 0.793 2.381 1.00 0.00 N ATOM 1342 CA LYS A 85 19.299 -0.638 2.209 1.00 0.00 C ATOM 1343 C LYS A 85 20.211 -1.184 3.303 1.00 0.00 C ATOM 1344 O LYS A 85 21.260 -0.610 3.595 1.00 0.00 O ATOM 1345 CB LYS A 85 19.909 -0.920 0.834 1.00 0.00 C ATOM 1346 CG LYS A 85 20.084 -2.400 0.538 1.00 0.00 C ATOM 1347 CD LYS A 85 21.069 -2.629 -0.596 1.00 0.00 C ATOM 1348 CE LYS A 85 22.497 -2.727 -0.082 1.00 0.00 C ATOM 1349 NZ LYS A 85 23.493 -2.488 -1.163 1.00 0.00 N ATOM 0 H LYS A 85 19.876 1.375 2.121 1.00 0.00 H new ATOM 0 HA LYS A 85 18.334 -1.139 2.281 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.274 -0.477 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.879 -0.428 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.434 -2.912 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.120 -2.836 0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.808 -3.545 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.995 -1.813 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.646 -2.000 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.660 -3.714 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.436 -2.361 -0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.507 -3.304 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.232 -1.632 -1.693 1.00 0.00 H new ATOM 1363 N VAL A 86 19.804 -2.298 3.905 1.00 0.00 N ATOM 1364 CA VAL A 86 20.586 -2.923 4.965 1.00 0.00 C ATOM 1365 C VAL A 86 21.574 -3.934 4.396 1.00 0.00 C ATOM 1366 O VAL A 86 21.186 -4.873 3.702 1.00 0.00 O ATOM 1367 CB VAL A 86 19.678 -3.629 5.990 1.00 0.00 C ATOM 1368 CG1 VAL A 86 18.851 -4.712 5.313 1.00 0.00 C ATOM 1369 CG2 VAL A 86 20.508 -4.212 7.124 1.00 0.00 C ATOM 0 H VAL A 86 18.938 -2.785 3.676 1.00 0.00 H new ATOM 0 HA VAL A 86 21.135 -2.126 5.466 1.00 0.00 H new ATOM 0 HB VAL A 86 18.994 -2.893 6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 86 18.216 -5.200 6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.228 -4.264 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.516 -5.449 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 86 19.851 -4.707 7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 86 21.217 -4.936 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 86 21.052 -3.412 7.625 1.00 0.00 H new ATOM 1379 N GLN A 87 22.854 -3.735 4.695 1.00 0.00 N ATOM 1380 CA GLN A 87 23.899 -4.631 4.212 1.00 0.00 C ATOM 1381 C GLN A 87 25.098 -4.625 5.154 1.00 0.00 C ATOM 1382 O GLN A 87 25.642 -3.569 5.476 1.00 0.00 O ATOM 1383 CB GLN A 87 24.339 -4.223 2.805 1.00 0.00 C ATOM 1384 CG GLN A 87 24.910 -5.372 1.990 1.00 0.00 C ATOM 1385 CD GLN A 87 24.793 -5.143 0.496 1.00 0.00 C ATOM 1386 OE1 GLN A 87 23.841 -5.595 -0.141 1.00 0.00 O ATOM 1387 NE2 GLN A 87 25.763 -4.436 -0.072 1.00 0.00 N ATOM 0 H GLN A 87 23.192 -2.962 5.269 1.00 0.00 H new ATOM 0 HA GLN A 87 23.491 -5.641 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 87 23.486 -3.801 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 87 25.088 -3.435 2.882 1.00 0.00 H new ATOM 0 HG2 GLN A 87 25.959 -5.511 2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 87 24.391 -6.293 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 87 26.533 -4.080 0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 87 25.738 -4.249 -1.074 1.00 0.00 H new ATOM 1396 N MET A 88 25.505 -5.812 5.593 1.00 0.00 N ATOM 1397 CA MET A 88 26.641 -5.943 6.498 1.00 0.00 C ATOM 1398 C MET A 88 27.884 -5.281 5.910 1.00 0.00 C ATOM 1399 O MET A 88 28.800 -4.901 6.639 1.00 0.00 O ATOM 1400 CB MET A 88 26.923 -7.419 6.786 1.00 0.00 C ATOM 1401 CG MET A 88 27.293 -8.220 5.548 1.00 0.00 C ATOM 1402 SD MET A 88 25.853 -8.908 4.710 1.00 0.00 S ATOM 1403 CE MET A 88 26.394 -10.592 4.433 1.00 0.00 C ATOM 0 H MET A 88 25.065 -6.696 5.337 1.00 0.00 H new ATOM 0 HA MET A 88 26.390 -5.439 7.432 1.00 0.00 H new ATOM 0 HB2 MET A 88 27.734 -7.491 7.511 1.00 0.00 H new ATOM 0 HB3 MET A 88 26.042 -7.865 7.248 1.00 0.00 H new ATOM 0 HG2 MET A 88 27.840 -7.580 4.856 1.00 0.00 H new ATOM 0 HG3 MET A 88 27.965 -9.030 5.832 1.00 0.00 H new ATOM 0 HE1 MET A 88 25.608 -11.147 3.921 1.00 0.00 H new ATOM 0 HE2 MET A 88 27.295 -10.588 3.819 1.00 0.00 H new ATOM 0 HE3 MET A 88 26.609 -11.067 5.390 1.00 0.00 H new ATOM 1413 N SER A 89 27.908 -5.148 4.588 1.00 0.00 N ATOM 1414 CA SER A 89 29.040 -4.536 3.902 1.00 0.00 C ATOM 1415 C SER A 89 28.587 -3.346 3.061 1.00 0.00 C ATOM 1416 O SER A 89 27.497 -3.354 2.491 1.00 0.00 O ATOM 1417 CB SER A 89 29.743 -5.565 3.015 1.00 0.00 C ATOM 1418 OG SER A 89 28.846 -6.119 2.068 1.00 0.00 O ATOM 0 H SER A 89 27.157 -5.456 3.971 1.00 0.00 H new ATOM 0 HA SER A 89 29.741 -4.179 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 89 30.578 -5.093 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 89 30.160 -6.359 3.634 1.00 0.00 H new ATOM 0 HG SER A 89 29.320 -6.772 1.512 1.00 0.00 H new ATOM 1424 N ASN A 90 29.434 -2.324 2.988 1.00 0.00 N ATOM 1425 CA ASN A 90 29.122 -1.127 2.217 1.00 0.00 C ATOM 1426 C ASN A 90 30.242 -0.806 1.232 1.00 0.00 C ATOM 1427 O ASN A 90 30.204 0.214 0.544 1.00 0.00 O ATOM 1428 CB ASN A 90 28.894 0.062 3.152 1.00 0.00 C ATOM 1429 CG ASN A 90 28.034 1.140 2.519 1.00 0.00 C ATOM 1430 OD1 ASN A 90 28.366 1.670 1.459 1.00 0.00 O ATOM 1431 ND2 ASN A 90 26.923 1.467 3.168 1.00 0.00 N ATOM 0 H ASN A 90 30.341 -2.301 3.453 1.00 0.00 H new ATOM 0 HA ASN A 90 28.209 -1.317 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 90 28.418 -0.286 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 90 29.857 0.488 3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 90 26.304 2.185 2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 90 26.688 1.001 4.044 1.00 0.00 H new TER 1438 ASN A 90