USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 926 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 25 TYR OH : rot 160:sc= 1.06 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -0.216 K(o=0.85,f=-7.9!) 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 46:sc= 0.491 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 160:sc= -0.595 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -134:sc= 0.278 USER MOD Single : A 19 GLN : amide:sc= 0.0804 K(o=0.08,f=-0.84) USER MOD Single : A 20 GLN : amide:sc= -0.0249 K(o=-0.025,f=-0.77) USER MOD Single : A 21 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.18) USER MOD Single : A 22 THR OG1 : rot -94:sc= 1.05 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.866 K(o=-0.87,f=-4.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00324 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 36 SER OG : rot -70:sc= 0.416 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 98:sc= -0.906 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.206 F(o=-1.3,f=-0.21) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.33! C(o=-4.3!,f=-14!) USER MOD Single : A 68 ASN : amide:sc= -0.167 K(o=-0.17,f=-3.3!) USER MOD Single : A 69 ASN : amide:sc= -2.99 K(o=-3,f=-4.3!) USER MOD Single : A 70 GLN : amide:sc= -0.739 X(o=-0.74,f=-0.74) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 150:sc= -1.32 (180deg=-2.51!) USER MOD Single : A 93 SER OG : rot 87:sc= 0.349 USER MOD Single : A 95 GLN : amide:sc= -2.58 X(o=-2.6,f=-2.9) USER MOD Single : A 99 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.0344) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -168:sc= -0.342 (180deg=-0.918) USER MOD Single : A 104 MET CE :methyl -110:sc= -0.233 (180deg=-1.3) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 79:sc= 0.668 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.660 -9.918 -7.441 1.00 0.00 N ATOM 2 CA GLY A 1 8.957 -11.132 -7.811 1.00 0.00 C ATOM 3 C GLY A 1 7.728 -11.374 -6.957 1.00 0.00 C ATOM 4 O GLY A 1 7.834 -11.567 -5.746 1.00 0.00 O ATOM 0 H1 GLY A 1 10.492 -9.798 -8.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.026 -9.101 -7.554 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.967 -9.983 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.662 -11.072 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.633 -11.982 -7.719 1.00 0.00 H new ATOM 8 N SER A 2 6.559 -11.362 -7.589 1.00 0.00 N ATOM 9 CA SER A 2 5.304 -11.577 -6.879 1.00 0.00 C ATOM 10 C SER A 2 5.303 -12.930 -6.174 1.00 0.00 C ATOM 11 O SER A 2 6.174 -13.767 -6.411 1.00 0.00 O ATOM 12 CB SER A 2 4.123 -11.494 -7.848 1.00 0.00 C ATOM 13 OG SER A 2 3.876 -10.154 -8.237 1.00 0.00 O ATOM 0 H SER A 2 6.455 -11.206 -8.592 1.00 0.00 H new ATOM 0 HA SER A 2 5.203 -10.794 -6.127 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.329 -12.100 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.232 -11.909 -7.377 1.00 0.00 H new ATOM 0 HG SER A 2 3.118 -10.128 -8.857 1.00 0.00 H new ATOM 19 N SER A 3 4.319 -13.137 -5.305 1.00 0.00 N ATOM 20 CA SER A 3 4.206 -14.386 -4.561 1.00 0.00 C ATOM 21 C SER A 3 2.883 -15.082 -4.866 1.00 0.00 C ATOM 22 O SER A 3 1.809 -14.520 -4.650 1.00 0.00 O ATOM 23 CB SER A 3 4.323 -14.123 -3.059 1.00 0.00 C ATOM 24 OG SER A 3 5.667 -13.869 -2.688 1.00 0.00 O ATOM 0 H SER A 3 3.588 -12.456 -5.099 1.00 0.00 H new ATOM 0 HA SER A 3 5.021 -15.040 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.700 -13.271 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.946 -14.983 -2.506 1.00 0.00 H new ATOM 0 HG SER A 3 5.714 -13.702 -1.723 1.00 0.00 H new ATOM 30 N GLY A 4 2.968 -16.310 -5.369 1.00 0.00 N ATOM 31 CA GLY A 4 1.771 -17.063 -5.695 1.00 0.00 C ATOM 32 C GLY A 4 0.783 -17.107 -4.547 1.00 0.00 C ATOM 33 O GLY A 4 0.894 -17.950 -3.656 1.00 0.00 O ATOM 0 H GLY A 4 3.845 -16.797 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.291 -16.617 -6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.049 -18.080 -5.970 1.00 0.00 H new ATOM 37 N SER A 5 -0.185 -16.197 -4.566 1.00 0.00 N ATOM 38 CA SER A 5 -1.194 -16.133 -3.515 1.00 0.00 C ATOM 39 C SER A 5 -2.402 -16.995 -3.868 1.00 0.00 C ATOM 40 O SER A 5 -3.387 -16.507 -4.422 1.00 0.00 O ATOM 41 CB SER A 5 -1.635 -14.685 -3.291 1.00 0.00 C ATOM 42 OG SER A 5 -0.524 -13.850 -3.016 1.00 0.00 O ATOM 0 H SER A 5 -0.292 -15.494 -5.297 1.00 0.00 H new ATOM 0 HA SER A 5 -0.751 -16.518 -2.596 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.158 -14.320 -4.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.341 -14.641 -2.462 1.00 0.00 H new ATOM 0 HG SER A 5 0.192 -14.037 -3.658 1.00 0.00 H new ATOM 48 N SER A 6 -2.318 -18.281 -3.543 1.00 0.00 N ATOM 49 CA SER A 6 -3.402 -19.214 -3.829 1.00 0.00 C ATOM 50 C SER A 6 -4.173 -19.557 -2.557 1.00 0.00 C ATOM 51 O SER A 6 -3.940 -20.594 -1.937 1.00 0.00 O ATOM 52 CB SER A 6 -2.849 -20.492 -4.463 1.00 0.00 C ATOM 53 OG SER A 6 -2.187 -20.210 -5.684 1.00 0.00 O ATOM 0 H SER A 6 -1.511 -18.701 -3.082 1.00 0.00 H new ATOM 0 HA SER A 6 -4.085 -18.735 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.156 -20.974 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.663 -21.195 -4.641 1.00 0.00 H new ATOM 0 HG SER A 6 -1.841 -21.042 -6.068 1.00 0.00 H new ATOM 59 N GLY A 7 -5.093 -18.676 -2.175 1.00 0.00 N ATOM 60 CA GLY A 7 -5.884 -18.902 -0.980 1.00 0.00 C ATOM 61 C GLY A 7 -5.998 -17.661 -0.116 1.00 0.00 C ATOM 62 O GLY A 7 -7.077 -17.083 0.012 1.00 0.00 O ATOM 0 H GLY A 7 -5.304 -17.811 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.882 -19.235 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.435 -19.706 -0.398 1.00 0.00 H new ATOM 66 N ASP A 8 -4.882 -17.252 0.478 1.00 0.00 N ATOM 67 CA ASP A 8 -4.861 -16.072 1.334 1.00 0.00 C ATOM 68 C ASP A 8 -5.638 -14.925 0.698 1.00 0.00 C ATOM 69 O ASP A 8 -5.971 -14.969 -0.486 1.00 0.00 O ATOM 70 CB ASP A 8 -3.419 -15.639 1.606 1.00 0.00 C ATOM 71 CG ASP A 8 -2.754 -16.481 2.678 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.355 -16.646 3.760 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.632 -16.973 2.434 1.00 0.00 O ATOM 0 H ASP A 8 -3.981 -17.720 0.382 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.339 -16.330 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.842 -15.708 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.408 -14.593 1.911 1.00 0.00 H new ATOM 78 N ILE A 9 -5.926 -13.899 1.493 1.00 0.00 N ATOM 79 CA ILE A 9 -6.664 -12.740 1.007 1.00 0.00 C ATOM 80 C ILE A 9 -5.716 -11.631 0.562 1.00 0.00 C ATOM 81 O ILE A 9 -4.591 -11.530 1.050 1.00 0.00 O ATOM 82 CB ILE A 9 -7.615 -12.186 2.084 1.00 0.00 C ATOM 83 CG1 ILE A 9 -8.595 -13.270 2.537 1.00 0.00 C ATOM 84 CG2 ILE A 9 -8.366 -10.973 1.555 1.00 0.00 C ATOM 85 CD1 ILE A 9 -9.464 -13.804 1.420 1.00 0.00 C ATOM 0 H ILE A 9 -5.659 -13.847 2.476 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.252 -13.076 0.153 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.023 -11.875 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.034 -14.095 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.234 -12.866 3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.034 -10.593 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.653 -10.196 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.949 -11.259 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.134 -14.569 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.052 -12.990 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.833 -14.239 0.644 1.00 0.00 H new ATOM 97 N ARG A 10 -6.180 -10.800 -0.365 1.00 0.00 N ATOM 98 CA ARG A 10 -5.374 -9.698 -0.875 1.00 0.00 C ATOM 99 C ARG A 10 -5.687 -8.405 -0.128 1.00 0.00 C ATOM 100 O ARG A 10 -4.873 -7.889 0.637 1.00 0.00 O ATOM 101 CB ARG A 10 -5.622 -9.507 -2.373 1.00 0.00 C ATOM 102 CG ARG A 10 -4.599 -10.205 -3.253 1.00 0.00 C ATOM 103 CD ARG A 10 -4.967 -10.101 -4.725 1.00 0.00 C ATOM 104 NE ARG A 10 -4.427 -11.212 -5.504 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.431 -11.249 -6.832 1.00 0.00 C ATOM 106 NH1 ARG A 10 -4.944 -10.242 -7.525 1.00 0.00 N ATOM 107 NH2 ARG A 10 -3.921 -12.295 -7.470 1.00 0.00 N ATOM 0 H ARG A 10 -7.110 -10.869 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.324 -9.945 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.616 -9.881 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.617 -8.441 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.616 -9.763 -3.091 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.528 -11.255 -2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.052 -10.081 -4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.591 -9.160 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.025 -12.003 -5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.337 -9.436 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.946 -10.273 -8.545 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.525 -13.072 -6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.925 -12.322 -8.490 1.00 0.00 H new ATOM 121 N PRO A 11 -6.895 -7.867 -0.355 1.00 0.00 N ATOM 122 CA PRO A 11 -7.343 -6.628 0.287 1.00 0.00 C ATOM 123 C PRO A 11 -7.595 -6.807 1.781 1.00 0.00 C ATOM 124 O PRO A 11 -8.257 -5.983 2.411 1.00 0.00 O ATOM 125 CB PRO A 11 -8.651 -6.305 -0.440 1.00 0.00 C ATOM 126 CG PRO A 11 -9.144 -7.620 -0.936 1.00 0.00 C ATOM 127 CD PRO A 11 -7.917 -8.429 -1.255 1.00 0.00 C ATOM 0 HA PRO A 11 -6.594 -5.839 0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.372 -5.840 0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.485 -5.609 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.754 -8.117 -0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.769 -7.494 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.076 -9.491 -1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.630 -8.328 -2.302 1.00 0.00 H new ATOM 135 N SER A 12 -7.062 -7.888 2.340 1.00 0.00 N ATOM 136 CA SER A 12 -7.232 -8.177 3.760 1.00 0.00 C ATOM 137 C SER A 12 -6.346 -7.270 4.608 1.00 0.00 C ATOM 138 O SER A 12 -6.772 -6.755 5.642 1.00 0.00 O ATOM 139 CB SER A 12 -6.903 -9.643 4.047 1.00 0.00 C ATOM 140 OG SER A 12 -5.759 -10.060 3.322 1.00 0.00 O ATOM 0 H SER A 12 -6.509 -8.578 1.832 1.00 0.00 H new ATOM 0 HA SER A 12 -8.273 -7.988 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.730 -9.778 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.755 -10.269 3.780 1.00 0.00 H new ATOM 0 HG SER A 12 -5.379 -10.860 3.742 1.00 0.00 H new ATOM 146 N LYS A 13 -5.109 -7.077 4.163 1.00 0.00 N ATOM 147 CA LYS A 13 -4.160 -6.232 4.879 1.00 0.00 C ATOM 148 C LYS A 13 -4.455 -4.755 4.634 1.00 0.00 C ATOM 149 O LYS A 13 -4.425 -3.944 5.560 1.00 0.00 O ATOM 150 CB LYS A 13 -2.729 -6.555 4.445 1.00 0.00 C ATOM 151 CG LYS A 13 -2.247 -7.919 4.908 1.00 0.00 C ATOM 152 CD LYS A 13 -0.768 -8.116 4.620 1.00 0.00 C ATOM 153 CE LYS A 13 -0.542 -8.681 3.226 1.00 0.00 C ATOM 154 NZ LYS A 13 0.830 -8.391 2.725 1.00 0.00 N ATOM 0 H LYS A 13 -4.740 -7.495 3.309 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.264 -6.434 5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.668 -6.507 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.058 -5.790 4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.428 -8.026 5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.823 -8.698 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.247 -7.163 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.339 -8.790 5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.703 -9.759 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.276 -8.259 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.944 -8.793 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.975 -7.362 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.531 -8.816 3.366 1.00 0.00 H new ATOM 168 N LEU A 14 -4.742 -4.414 3.382 1.00 0.00 N ATOM 169 CA LEU A 14 -5.044 -3.034 3.016 1.00 0.00 C ATOM 170 C LEU A 14 -6.159 -2.470 3.891 1.00 0.00 C ATOM 171 O LEU A 14 -6.019 -1.396 4.477 1.00 0.00 O ATOM 172 CB LEU A 14 -5.447 -2.954 1.542 1.00 0.00 C ATOM 173 CG LEU A 14 -6.175 -1.680 1.114 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.177 -0.586 0.765 1.00 0.00 C ATOM 175 CD2 LEU A 14 -7.094 -1.961 -0.066 1.00 0.00 C ATOM 0 H LEU A 14 -4.772 -5.073 2.604 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.146 -2.437 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.548 -3.057 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.085 -3.808 1.314 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.784 -1.335 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.714 0.313 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.560 -0.365 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.541 -0.922 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.604 -1.043 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.505 -2.331 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.832 -2.711 0.218 1.00 0.00 H new ATOM 187 N LEU A 15 -7.264 -3.202 3.976 1.00 0.00 N ATOM 188 CA LEU A 15 -8.403 -2.776 4.782 1.00 0.00 C ATOM 189 C LEU A 15 -7.952 -2.327 6.168 1.00 0.00 C ATOM 190 O LEU A 15 -8.354 -1.268 6.652 1.00 0.00 O ATOM 191 CB LEU A 15 -9.418 -3.914 4.908 1.00 0.00 C ATOM 192 CG LEU A 15 -10.610 -3.651 5.829 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.628 -2.754 5.142 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.254 -4.962 6.255 1.00 0.00 C ATOM 0 H LEU A 15 -7.396 -4.093 3.497 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.874 -1.930 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.798 -4.147 3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.896 -4.801 5.266 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.249 -3.139 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.469 -2.578 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.161 -1.802 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.984 -3.238 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.100 -4.756 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.601 -5.501 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.523 -5.570 6.788 1.00 0.00 H new ATOM 206 N THR A 16 -7.111 -3.138 6.803 1.00 0.00 N ATOM 207 CA THR A 16 -6.604 -2.823 8.133 1.00 0.00 C ATOM 208 C THR A 16 -5.995 -1.426 8.173 1.00 0.00 C ATOM 209 O THR A 16 -6.312 -0.626 9.053 1.00 0.00 O ATOM 210 CB THR A 16 -5.545 -3.846 8.586 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.121 -5.156 8.641 1.00 0.00 O ATOM 212 CG2 THR A 16 -4.984 -3.475 9.951 1.00 0.00 C ATOM 0 H THR A 16 -6.767 -4.017 6.418 1.00 0.00 H new ATOM 0 HA THR A 16 -7.454 -2.865 8.814 1.00 0.00 H new ATOM 0 HB THR A 16 -4.731 -3.838 7.862 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.441 -5.801 8.928 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.238 -4.211 10.250 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.520 -2.490 9.898 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.791 -3.458 10.684 1.00 0.00 H new ATOM 220 N TRP A 17 -5.120 -1.140 7.216 1.00 0.00 N ATOM 221 CA TRP A 17 -4.467 0.162 7.142 1.00 0.00 C ATOM 222 C TRP A 17 -5.497 1.286 7.095 1.00 0.00 C ATOM 223 O TRP A 17 -5.491 2.182 7.940 1.00 0.00 O ATOM 224 CB TRP A 17 -3.561 0.232 5.912 1.00 0.00 C ATOM 225 CG TRP A 17 -2.785 1.511 5.818 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.626 1.816 6.473 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.113 2.656 5.024 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.215 3.083 6.134 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.109 3.619 5.246 1.00 0.00 C ATOM 230 CE3 TRP A 17 -4.157 2.962 4.145 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.121 4.863 4.622 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -4.167 4.197 3.527 1.00 0.00 C ATOM 233 CH2 TRP A 17 -3.154 5.136 3.767 1.00 0.00 C ATOM 0 H TRP A 17 -4.846 -1.792 6.481 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.860 0.288 8.039 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.865 -0.606 5.934 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.169 0.117 5.015 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.109 1.159 7.156 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.379 3.549 6.487 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.942 2.245 3.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.342 5.588 4.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.969 4.444 2.847 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -3.190 6.093 3.268 1.00 0.00 H new ATOM 244 N CYS A 18 -6.380 1.232 6.103 1.00 0.00 N ATOM 245 CA CYS A 18 -7.416 2.246 5.946 1.00 0.00 C ATOM 246 C CYS A 18 -8.253 2.369 7.215 1.00 0.00 C ATOM 247 O CYS A 18 -8.619 3.471 7.624 1.00 0.00 O ATOM 248 CB CYS A 18 -8.316 1.906 4.758 1.00 0.00 C ATOM 249 SG CYS A 18 -7.436 1.753 3.186 1.00 0.00 S ATOM 0 H CYS A 18 -6.399 0.497 5.396 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.928 3.203 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.834 0.970 4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.079 2.678 4.661 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.085 2.395 2.261 1.00 0.00 H new ATOM 255 N GLN A 19 -8.554 1.231 7.832 1.00 0.00 N ATOM 256 CA GLN A 19 -9.351 1.212 9.053 1.00 0.00 C ATOM 257 C GLN A 19 -8.630 1.935 10.185 1.00 0.00 C ATOM 258 O GLN A 19 -9.235 2.714 10.921 1.00 0.00 O ATOM 259 CB GLN A 19 -9.656 -0.229 9.465 1.00 0.00 C ATOM 260 CG GLN A 19 -10.938 -0.778 8.859 1.00 0.00 C ATOM 261 CD GLN A 19 -11.165 -2.238 9.197 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.413 -2.833 9.969 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.207 -2.824 8.618 1.00 0.00 N ATOM 0 H GLN A 19 -8.258 0.311 7.507 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.288 1.732 8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.823 -0.866 9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.727 -0.280 10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.784 -0.191 9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.902 -0.661 7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.804 -2.292 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.410 -3.806 8.807 1.00 0.00 H new ATOM 272 N GLN A 20 -7.333 1.672 10.318 1.00 0.00 N ATOM 273 CA GLN A 20 -6.530 2.298 11.361 1.00 0.00 C ATOM 274 C GLN A 20 -6.529 3.816 11.210 1.00 0.00 C ATOM 275 O GLN A 20 -6.751 4.545 12.176 1.00 0.00 O ATOM 276 CB GLN A 20 -5.096 1.768 11.318 1.00 0.00 C ATOM 277 CG GLN A 20 -4.975 0.307 11.721 1.00 0.00 C ATOM 278 CD GLN A 20 -5.003 0.112 13.224 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.425 0.899 13.975 1.00 0.00 O ATOM 280 NE2 GLN A 20 -5.678 -0.940 13.672 1.00 0.00 N ATOM 0 H GLN A 20 -6.817 1.030 9.716 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.973 2.047 12.325 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.702 1.892 10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.474 2.371 11.980 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.790 -0.259 11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.045 -0.100 11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.142 -1.566 13.014 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.733 -1.122 14.674 1.00 0.00 H new ATOM 289 N GLN A 21 -6.276 4.284 9.992 1.00 0.00 N ATOM 290 CA GLN A 21 -6.244 5.716 9.716 1.00 0.00 C ATOM 291 C GLN A 21 -7.603 6.352 9.986 1.00 0.00 C ATOM 292 O GLN A 21 -7.699 7.370 10.674 1.00 0.00 O ATOM 293 CB GLN A 21 -5.829 5.967 8.266 1.00 0.00 C ATOM 294 CG GLN A 21 -4.471 5.384 7.911 1.00 0.00 C ATOM 295 CD GLN A 21 -3.368 5.874 8.829 1.00 0.00 C ATOM 296 OE1 GLN A 21 -3.297 7.059 9.155 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.499 4.962 9.250 1.00 0.00 N ATOM 0 H GLN A 21 -6.090 3.693 9.181 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.511 6.173 10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.582 5.542 7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.813 7.041 8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.523 4.296 7.960 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.225 5.646 6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.596 3.991 8.955 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.735 5.233 9.869 1.00 0.00 H new ATOM 306 N THR A 22 -8.654 5.747 9.440 1.00 0.00 N ATOM 307 CA THR A 22 -10.008 6.255 9.621 1.00 0.00 C ATOM 308 C THR A 22 -10.458 6.118 11.071 1.00 0.00 C ATOM 309 O THR A 22 -11.299 6.882 11.544 1.00 0.00 O ATOM 310 CB THR A 22 -11.010 5.519 8.712 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.854 4.103 8.857 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.809 5.910 7.256 1.00 0.00 C ATOM 0 H THR A 22 -8.593 4.904 8.869 1.00 0.00 H new ATOM 0 HA THR A 22 -9.989 7.310 9.348 1.00 0.00 H new ATOM 0 HB THR A 22 -12.018 5.806 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.251 3.767 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.528 5.377 6.634 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.957 6.984 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.797 5.649 6.946 1.00 0.00 H new ATOM 320 N GLU A 23 -9.891 5.141 11.772 1.00 0.00 N ATOM 321 CA GLU A 23 -10.236 4.905 13.169 1.00 0.00 C ATOM 322 C GLU A 23 -10.207 6.207 13.964 1.00 0.00 C ATOM 323 O GLU A 23 -9.380 7.083 13.711 1.00 0.00 O ATOM 324 CB GLU A 23 -9.271 3.893 13.791 1.00 0.00 C ATOM 325 CG GLU A 23 -9.770 3.301 15.098 1.00 0.00 C ATOM 326 CD GLU A 23 -9.356 4.120 16.306 1.00 0.00 C ATOM 327 OE1 GLU A 23 -8.261 4.719 16.268 1.00 0.00 O ATOM 328 OE2 GLU A 23 -10.126 4.161 17.288 1.00 0.00 O ATOM 0 H GLU A 23 -9.192 4.501 11.396 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.248 4.501 13.204 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.096 3.086 13.080 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.311 4.379 13.965 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.857 3.229 15.068 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.386 2.286 15.203 1.00 0.00 H new ATOM 335 N GLY A 24 -11.116 6.327 14.926 1.00 0.00 N ATOM 336 CA GLY A 24 -11.179 7.524 15.743 1.00 0.00 C ATOM 337 C GLY A 24 -12.169 8.540 15.208 1.00 0.00 C ATOM 338 O GLY A 24 -12.906 9.162 15.974 1.00 0.00 O ATOM 0 H GLY A 24 -11.811 5.616 15.154 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.457 7.251 16.761 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.189 7.978 15.794 1.00 0.00 H new ATOM 342 N TYR A 25 -12.186 8.710 13.891 1.00 0.00 N ATOM 343 CA TYR A 25 -13.091 9.660 13.255 1.00 0.00 C ATOM 344 C TYR A 25 -14.540 9.370 13.633 1.00 0.00 C ATOM 345 O TYR A 25 -14.863 8.279 14.102 1.00 0.00 O ATOM 346 CB TYR A 25 -12.929 9.611 11.735 1.00 0.00 C ATOM 347 CG TYR A 25 -11.827 10.506 11.214 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.496 10.115 11.283 1.00 0.00 C ATOM 349 CD2 TYR A 25 -12.118 11.743 10.652 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.486 10.930 10.809 1.00 0.00 C ATOM 351 CE2 TYR A 25 -11.115 12.564 10.174 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.801 12.153 10.255 1.00 0.00 C ATOM 353 OH TYR A 25 -8.798 12.967 9.780 1.00 0.00 O ATOM 0 H TYR A 25 -11.584 8.203 13.243 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.836 10.659 13.609 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.725 8.584 11.433 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.871 9.899 11.268 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.246 9.157 11.715 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.146 12.068 10.588 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.456 10.611 10.872 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.358 13.522 9.739 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.175 13.618 9.152 1.00 0.00 H new ATOM 363 N GLN A 26 -15.408 10.355 13.425 1.00 0.00 N ATOM 364 CA GLN A 26 -16.823 10.206 13.744 1.00 0.00 C ATOM 365 C GLN A 26 -17.626 9.845 12.499 1.00 0.00 C ATOM 366 O GLN A 26 -17.221 10.149 11.376 1.00 0.00 O ATOM 367 CB GLN A 26 -17.367 11.497 14.359 1.00 0.00 C ATOM 368 CG GLN A 26 -16.940 11.709 15.803 1.00 0.00 C ATOM 369 CD GLN A 26 -16.989 13.167 16.217 1.00 0.00 C ATOM 370 OE1 GLN A 26 -18.045 13.799 16.184 1.00 0.00 O ATOM 371 NE2 GLN A 26 -15.842 13.709 16.611 1.00 0.00 N ATOM 0 H GLN A 26 -15.156 11.264 13.037 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.924 9.396 14.467 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.031 12.344 13.761 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.456 11.483 14.309 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.587 11.127 16.459 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.927 11.331 15.938 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.990 13.148 16.623 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.813 14.686 16.902 1.00 0.00 H new ATOM 380 N HIS A 27 -18.766 9.193 12.705 1.00 0.00 N ATOM 381 CA HIS A 27 -19.627 8.790 11.598 1.00 0.00 C ATOM 382 C HIS A 27 -18.804 8.205 10.455 1.00 0.00 C ATOM 383 O HIS A 27 -19.208 8.261 9.293 1.00 0.00 O ATOM 384 CB HIS A 27 -20.442 9.983 11.097 1.00 0.00 C ATOM 385 CG HIS A 27 -21.722 10.191 11.846 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.945 9.756 11.381 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.965 10.790 13.035 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.885 10.081 12.251 1.00 0.00 C ATOM 389 NE2 HIS A 27 -23.316 10.709 13.264 1.00 0.00 N ATOM 0 H HIS A 27 -19.115 8.933 13.627 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.309 8.021 11.962 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.835 10.885 11.174 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.668 9.840 10.040 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -21.232 11.247 13.683 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.939 9.869 12.151 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -23.801 11.074 14.083 1.00 0.00 H new ATOM 398 N VAL A 28 -17.647 7.644 10.792 1.00 0.00 N ATOM 399 CA VAL A 28 -16.767 7.048 9.793 1.00 0.00 C ATOM 400 C VAL A 28 -16.475 5.588 10.120 1.00 0.00 C ATOM 401 O VAL A 28 -15.546 5.282 10.867 1.00 0.00 O ATOM 402 CB VAL A 28 -15.436 7.816 9.689 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.434 7.037 8.849 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.665 9.203 9.109 1.00 0.00 C ATOM 0 H VAL A 28 -17.297 7.590 11.749 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.287 7.106 8.837 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.023 7.930 10.691 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.500 7.595 8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.247 6.068 9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.836 6.890 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.714 9.731 9.043 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.101 9.114 8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.345 9.759 9.754 1.00 0.00 H new ATOM 414 N ASN A 29 -17.274 4.689 9.554 1.00 0.00 N ATOM 415 CA ASN A 29 -17.101 3.260 9.786 1.00 0.00 C ATOM 416 C ASN A 29 -16.610 2.560 8.522 1.00 0.00 C ATOM 417 O ASN A 29 -17.352 2.417 7.550 1.00 0.00 O ATOM 418 CB ASN A 29 -18.418 2.634 10.249 1.00 0.00 C ATOM 419 CG ASN A 29 -19.443 2.551 9.135 1.00 0.00 C ATOM 420 OD1 ASN A 29 -19.636 3.505 8.381 1.00 0.00 O ATOM 421 ND2 ASN A 29 -20.106 1.406 9.025 1.00 0.00 N ATOM 0 H ASN A 29 -18.047 4.925 8.932 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.351 3.132 10.567 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.225 1.634 10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -18.826 3.221 11.072 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -20.808 1.291 8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.914 0.641 9.672 1.00 0.00 H new ATOM 428 N VAL A 30 -15.354 2.125 8.543 1.00 0.00 N ATOM 429 CA VAL A 30 -14.763 1.439 7.400 1.00 0.00 C ATOM 430 C VAL A 30 -14.683 -0.064 7.643 1.00 0.00 C ATOM 431 O VAL A 30 -13.787 -0.545 8.338 1.00 0.00 O ATOM 432 CB VAL A 30 -13.352 1.974 7.092 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.710 1.172 5.970 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.410 3.452 6.736 1.00 0.00 C ATOM 0 H VAL A 30 -14.726 2.236 9.339 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.411 1.632 6.545 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.736 1.862 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.714 1.564 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.634 0.126 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.321 1.250 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.405 3.814 6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.041 3.590 5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.826 4.012 7.573 1.00 0.00 H new ATOM 444 N THR A 31 -15.626 -0.803 7.066 1.00 0.00 N ATOM 445 CA THR A 31 -15.663 -2.252 7.220 1.00 0.00 C ATOM 446 C THR A 31 -15.356 -2.953 5.902 1.00 0.00 C ATOM 447 O THR A 31 -14.734 -4.014 5.882 1.00 0.00 O ATOM 448 CB THR A 31 -17.034 -2.727 7.735 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.065 -2.324 6.826 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.320 -2.160 9.117 1.00 0.00 C ATOM 0 H THR A 31 -16.374 -0.421 6.488 1.00 0.00 H new ATOM 0 HA THR A 31 -14.899 -2.512 7.952 1.00 0.00 H new ATOM 0 HB THR A 31 -17.014 -3.815 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.934 -2.631 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.294 -2.510 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.550 -2.492 9.813 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.321 -1.071 9.070 1.00 0.00 H new ATOM 458 N ASP A 32 -15.797 -2.352 4.802 1.00 0.00 N ATOM 459 CA ASP A 32 -15.568 -2.919 3.478 1.00 0.00 C ATOM 460 C ASP A 32 -14.877 -1.909 2.567 1.00 0.00 C ATOM 461 O ASP A 32 -14.590 -0.783 2.975 1.00 0.00 O ATOM 462 CB ASP A 32 -16.892 -3.364 2.854 1.00 0.00 C ATOM 463 CG ASP A 32 -17.650 -4.336 3.736 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.031 -5.309 4.216 1.00 0.00 O ATOM 465 OD2 ASP A 32 -18.862 -4.124 3.948 1.00 0.00 O ATOM 0 H ASP A 32 -16.315 -1.473 4.801 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.918 -3.787 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.514 -2.489 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.697 -3.831 1.888 1.00 0.00 H new ATOM 470 N LEU A 33 -14.610 -2.320 1.332 1.00 0.00 N ATOM 471 CA LEU A 33 -13.950 -1.452 0.363 1.00 0.00 C ATOM 472 C LEU A 33 -14.870 -1.155 -0.817 1.00 0.00 C ATOM 473 O LEU A 33 -14.409 -0.855 -1.919 1.00 0.00 O ATOM 474 CB LEU A 33 -12.657 -2.101 -0.135 1.00 0.00 C ATOM 475 CG LEU A 33 -11.670 -2.545 0.945 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.548 -3.370 0.335 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.108 -1.339 1.682 1.00 0.00 C ATOM 0 H LEU A 33 -14.840 -3.249 0.978 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.710 -0.512 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.919 -2.970 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.151 -1.396 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.203 -3.168 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.855 -3.677 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.967 -4.254 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.017 -2.771 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.407 -1.674 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.591 -0.690 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.922 -0.788 2.152 1.00 0.00 H new ATOM 489 N THR A 34 -16.176 -1.239 -0.579 1.00 0.00 N ATOM 490 CA THR A 34 -17.161 -0.978 -1.620 1.00 0.00 C ATOM 491 C THR A 34 -18.146 0.102 -1.188 1.00 0.00 C ATOM 492 O THR A 34 -18.230 1.164 -1.806 1.00 0.00 O ATOM 493 CB THR A 34 -17.944 -2.254 -1.985 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.381 -2.918 -0.794 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.084 -3.198 -2.812 1.00 0.00 C ATOM 0 H THR A 34 -16.575 -1.486 0.327 1.00 0.00 H new ATOM 0 HA THR A 34 -16.611 -0.634 -2.496 1.00 0.00 H new ATOM 0 HB THR A 34 -18.812 -1.965 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.879 -3.727 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.658 -4.092 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.777 -2.699 -3.731 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.200 -3.480 -2.240 1.00 0.00 H new ATOM 503 N THR A 35 -18.890 -0.174 -0.121 1.00 0.00 N ATOM 504 CA THR A 35 -19.869 0.774 0.394 1.00 0.00 C ATOM 505 C THR A 35 -19.205 1.830 1.270 1.00 0.00 C ATOM 506 O THR A 35 -19.513 3.017 1.169 1.00 0.00 O ATOM 507 CB THR A 35 -20.965 0.062 1.210 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.368 -0.796 2.188 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.874 -0.751 0.301 1.00 0.00 C ATOM 0 H THR A 35 -18.833 -1.047 0.403 1.00 0.00 H new ATOM 0 HA THR A 35 -20.325 1.257 -0.470 1.00 0.00 H new ATOM 0 HB THR A 35 -21.565 0.821 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.071 -1.243 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.640 -1.245 0.899 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.350 -0.090 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 35 -21.285 -1.502 -0.225 1.00 0.00 H new ATOM 517 N SER A 36 -18.291 1.390 2.129 1.00 0.00 N ATOM 518 CA SER A 36 -17.584 2.298 3.025 1.00 0.00 C ATOM 519 C SER A 36 -17.032 3.496 2.260 1.00 0.00 C ATOM 520 O SER A 36 -17.038 4.621 2.759 1.00 0.00 O ATOM 521 CB SER A 36 -16.446 1.563 3.736 1.00 0.00 C ATOM 522 OG SER A 36 -16.938 0.470 4.492 1.00 0.00 O ATOM 0 H SER A 36 -18.023 0.410 2.223 1.00 0.00 H new ATOM 0 HA SER A 36 -18.293 2.660 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.725 1.205 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.917 2.254 4.392 1.00 0.00 H new ATOM 0 HG SER A 36 -17.439 0.806 5.264 1.00 0.00 H new ATOM 528 N TRP A 37 -16.555 3.246 1.046 1.00 0.00 N ATOM 529 CA TRP A 37 -15.999 4.303 0.210 1.00 0.00 C ATOM 530 C TRP A 37 -16.994 4.730 -0.864 1.00 0.00 C ATOM 531 O TRP A 37 -16.604 5.123 -1.963 1.00 0.00 O ATOM 532 CB TRP A 37 -14.696 3.835 -0.441 1.00 0.00 C ATOM 533 CG TRP A 37 -13.770 3.143 0.513 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.002 1.972 1.176 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.467 3.581 0.912 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.921 1.656 1.963 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.966 2.626 1.818 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.673 4.686 0.590 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.709 2.745 2.405 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.426 4.803 1.173 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.953 3.837 2.072 1.00 0.00 C ATOM 0 H TRP A 37 -16.542 2.320 0.619 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.790 5.163 0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.931 3.159 -1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.185 4.695 -0.873 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.902 1.381 1.094 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.843 0.832 2.559 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -12.028 5.435 -0.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.343 2.002 3.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.805 5.653 0.932 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.973 3.956 2.510 1.00 0.00 H new ATOM 552 N ARG A 38 -18.280 4.649 -0.538 1.00 0.00 N ATOM 553 CA ARG A 38 -19.330 5.026 -1.476 1.00 0.00 C ATOM 554 C ARG A 38 -19.633 6.518 -1.382 1.00 0.00 C ATOM 555 O ARG A 38 -19.907 7.170 -2.390 1.00 0.00 O ATOM 556 CB ARG A 38 -20.601 4.218 -1.203 1.00 0.00 C ATOM 557 CG ARG A 38 -21.462 4.796 -0.091 1.00 0.00 C ATOM 558 CD ARG A 38 -22.774 4.040 0.047 1.00 0.00 C ATOM 559 NE ARG A 38 -23.772 4.495 -0.918 1.00 0.00 N ATOM 560 CZ ARG A 38 -25.075 4.269 -0.790 1.00 0.00 C ATOM 561 NH1 ARG A 38 -25.535 3.598 0.257 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.920 4.714 -1.711 1.00 0.00 N ATOM 0 H ARG A 38 -18.619 4.326 0.368 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.978 4.807 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.191 4.165 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.323 3.197 -0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.916 4.755 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.666 5.847 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -22.595 2.974 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -23.162 4.168 1.058 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.451 5.015 -1.735 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.888 3.254 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -26.536 3.426 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.569 5.230 -2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -26.920 4.540 -1.612 1.00 0.00 H new ATOM 576 N SER A 39 -19.582 7.052 -0.166 1.00 0.00 N ATOM 577 CA SER A 39 -19.855 8.467 0.060 1.00 0.00 C ATOM 578 C SER A 39 -18.636 9.317 -0.286 1.00 0.00 C ATOM 579 O SER A 39 -18.761 10.395 -0.865 1.00 0.00 O ATOM 580 CB SER A 39 -20.260 8.703 1.516 1.00 0.00 C ATOM 581 OG SER A 39 -20.692 10.038 1.714 1.00 0.00 O ATOM 0 H SER A 39 -19.354 6.526 0.678 1.00 0.00 H new ATOM 0 HA SER A 39 -20.678 8.762 -0.591 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.059 8.014 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.415 8.490 2.171 1.00 0.00 H new ATOM 0 HG SER A 39 -20.947 10.164 2.652 1.00 0.00 H new ATOM 587 N GLY A 40 -17.456 8.823 0.075 1.00 0.00 N ATOM 588 CA GLY A 40 -16.231 9.549 -0.205 1.00 0.00 C ATOM 589 C GLY A 40 -15.687 10.260 1.018 1.00 0.00 C ATOM 590 O GLY A 40 -14.912 11.211 0.900 1.00 0.00 O ATOM 0 H GLY A 40 -17.326 7.933 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.480 8.856 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.417 10.279 -0.993 1.00 0.00 H new ATOM 594 N LEU A 41 -16.093 9.801 2.197 1.00 0.00 N ATOM 595 CA LEU A 41 -15.642 10.401 3.448 1.00 0.00 C ATOM 596 C LEU A 41 -14.436 9.653 4.007 1.00 0.00 C ATOM 597 O LEU A 41 -13.498 10.263 4.520 1.00 0.00 O ATOM 598 CB LEU A 41 -16.777 10.401 4.474 1.00 0.00 C ATOM 599 CG LEU A 41 -18.048 11.149 4.069 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.160 10.893 5.074 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.772 12.640 3.943 1.00 0.00 C ATOM 0 H LEU A 41 -16.733 9.016 2.313 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.345 11.430 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.042 9.367 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.403 10.837 5.400 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.372 10.777 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -20.057 11.433 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.376 9.825 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.846 11.237 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.687 13.156 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.423 13.028 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.007 12.806 3.184 1.00 0.00 H new ATOM 613 N ALA A 42 -14.467 8.328 3.903 1.00 0.00 N ATOM 614 CA ALA A 42 -13.375 7.498 4.394 1.00 0.00 C ATOM 615 C ALA A 42 -12.043 7.926 3.787 1.00 0.00 C ATOM 616 O ALA A 42 -11.066 8.150 4.503 1.00 0.00 O ATOM 617 CB ALA A 42 -13.648 6.032 4.090 1.00 0.00 C ATOM 0 H ALA A 42 -15.237 7.807 3.483 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.311 7.628 5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.824 5.424 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.574 5.726 4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.742 5.895 3.013 1.00 0.00 H new ATOM 623 N LEU A 43 -12.011 8.038 2.464 1.00 0.00 N ATOM 624 CA LEU A 43 -10.798 8.439 1.759 1.00 0.00 C ATOM 625 C LEU A 43 -10.341 9.824 2.206 1.00 0.00 C ATOM 626 O LEU A 43 -9.178 10.021 2.560 1.00 0.00 O ATOM 627 CB LEU A 43 -11.035 8.431 0.248 1.00 0.00 C ATOM 628 CG LEU A 43 -9.875 8.923 -0.617 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.670 8.007 -0.466 1.00 0.00 C ATOM 630 CD2 LEU A 43 -10.298 9.016 -2.075 1.00 0.00 C ATOM 0 H LEU A 43 -12.811 7.857 1.857 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.014 7.722 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.282 7.413 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.908 9.048 0.034 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.592 9.920 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.854 8.373 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.352 7.993 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.939 6.998 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.459 9.368 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.609 8.032 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.130 9.714 -2.169 1.00 0.00 H new ATOM 642 N CYS A 44 -11.264 10.779 2.190 1.00 0.00 N ATOM 643 CA CYS A 44 -10.957 12.146 2.595 1.00 0.00 C ATOM 644 C CYS A 44 -10.276 12.169 3.959 1.00 0.00 C ATOM 645 O CYS A 44 -9.324 12.918 4.176 1.00 0.00 O ATOM 646 CB CYS A 44 -12.234 12.987 2.635 1.00 0.00 C ATOM 647 SG CYS A 44 -12.837 13.492 1.007 1.00 0.00 S ATOM 0 H CYS A 44 -12.231 10.632 1.901 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.273 12.571 1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.015 12.418 3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.051 13.878 3.235 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.785 12.688 0.627 1.00 0.00 H new ATOM 653 N ALA A 45 -10.772 11.344 4.876 1.00 0.00 N ATOM 654 CA ALA A 45 -10.211 11.270 6.219 1.00 0.00 C ATOM 655 C ALA A 45 -8.734 10.893 6.177 1.00 0.00 C ATOM 656 O ALA A 45 -7.923 11.438 6.928 1.00 0.00 O ATOM 657 CB ALA A 45 -10.988 10.269 7.061 1.00 0.00 C ATOM 0 H ALA A 45 -11.561 10.718 4.713 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.295 12.256 6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.558 10.224 8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.030 10.581 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.933 9.284 6.598 1.00 0.00 H new ATOM 663 N ILE A 46 -8.391 9.959 5.297 1.00 0.00 N ATOM 664 CA ILE A 46 -7.011 9.511 5.157 1.00 0.00 C ATOM 665 C ILE A 46 -6.105 10.652 4.707 1.00 0.00 C ATOM 666 O ILE A 46 -5.070 10.916 5.319 1.00 0.00 O ATOM 667 CB ILE A 46 -6.894 8.351 4.152 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.768 7.175 4.593 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.443 7.916 4.010 1.00 0.00 C ATOM 670 CD1 ILE A 46 -8.040 6.176 3.490 1.00 0.00 C ATOM 0 H ILE A 46 -9.050 9.497 4.670 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.692 9.163 6.139 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.246 8.696 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.282 6.663 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.717 7.559 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.377 7.095 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.845 8.755 3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.066 7.586 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.665 5.370 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.554 6.673 2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.097 5.764 3.132 1.00 0.00 H new ATOM 682 N ILE A 47 -6.503 11.328 3.633 1.00 0.00 N ATOM 683 CA ILE A 47 -5.728 12.443 3.103 1.00 0.00 C ATOM 684 C ILE A 47 -5.687 13.603 4.091 1.00 0.00 C ATOM 685 O ILE A 47 -4.614 14.065 4.478 1.00 0.00 O ATOM 686 CB ILE A 47 -6.305 12.942 1.765 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.436 11.782 0.776 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.427 14.042 1.187 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.524 11.986 -0.255 1.00 0.00 C ATOM 0 H ILE A 47 -7.357 11.123 3.114 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.715 12.074 2.938 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.298 13.354 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.484 11.642 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.638 10.865 1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.848 14.384 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.381 14.876 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.422 13.654 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.559 11.125 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.485 12.096 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.313 12.885 -0.834 1.00 0.00 H new ATOM 701 N HIS A 48 -6.864 14.069 4.497 1.00 0.00 N ATOM 702 CA HIS A 48 -6.963 15.175 5.443 1.00 0.00 C ATOM 703 C HIS A 48 -6.073 14.932 6.658 1.00 0.00 C ATOM 704 O HIS A 48 -5.301 15.803 7.058 1.00 0.00 O ATOM 705 CB HIS A 48 -8.414 15.365 5.888 1.00 0.00 C ATOM 706 CG HIS A 48 -8.547 15.974 7.250 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.543 15.230 8.411 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.688 17.265 7.632 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.677 16.037 9.448 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.767 17.277 9.003 1.00 0.00 N ATOM 0 H HIS A 48 -7.762 13.698 4.186 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.623 16.081 4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.928 15.998 5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.918 14.398 5.880 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.730 18.125 6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.708 15.734 10.484 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.877 18.109 9.583 1.00 0.00 H new ATOM 719 N ARG A 49 -6.188 13.743 7.241 1.00 0.00 N ATOM 720 CA ARG A 49 -5.395 13.387 8.411 1.00 0.00 C ATOM 721 C ARG A 49 -3.966 13.903 8.278 1.00 0.00 C ATOM 722 O ARG A 49 -3.480 14.644 9.132 1.00 0.00 O ATOM 723 CB ARG A 49 -5.385 11.869 8.604 1.00 0.00 C ATOM 724 CG ARG A 49 -4.770 11.426 9.921 1.00 0.00 C ATOM 725 CD ARG A 49 -5.405 10.141 10.429 1.00 0.00 C ATOM 726 NE ARG A 49 -4.563 9.466 11.412 1.00 0.00 N ATOM 727 CZ ARG A 49 -4.394 9.899 12.657 1.00 0.00 C ATOM 728 NH1 ARG A 49 -5.007 11.000 13.067 1.00 0.00 N ATOM 729 NH2 ARG A 49 -3.612 9.229 13.493 1.00 0.00 N ATOM 0 H ARG A 49 -6.822 13.011 6.922 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.851 13.855 9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.408 11.497 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.834 11.411 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.698 11.277 9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.894 12.213 10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.373 10.367 10.875 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.590 9.471 9.589 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.078 8.615 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.610 11.517 12.427 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.876 11.331 14.023 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.140 8.381 13.180 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.483 9.562 14.448 1.00 0.00 H new ATOM 743 N PHE A 50 -3.297 13.506 7.200 1.00 0.00 N ATOM 744 CA PHE A 50 -1.922 13.927 6.955 1.00 0.00 C ATOM 745 C PHE A 50 -1.870 15.392 6.534 1.00 0.00 C ATOM 746 O PHE A 50 -1.082 16.174 7.066 1.00 0.00 O ATOM 747 CB PHE A 50 -1.283 13.050 5.876 1.00 0.00 C ATOM 748 CG PHE A 50 -0.943 11.667 6.351 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.944 10.750 6.631 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.378 11.282 6.518 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.634 9.476 7.067 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.693 10.010 6.954 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.314 9.106 7.230 1.00 0.00 C ATOM 0 H PHE A 50 -3.685 12.894 6.482 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.362 13.814 7.883 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.964 12.977 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.376 13.535 5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.978 11.035 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.170 11.985 6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.423 8.770 7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.726 9.722 7.079 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.069 8.111 7.573 1.00 0.00 H new ATOM 763 N ARG A 51 -2.713 15.756 5.574 1.00 0.00 N ATOM 764 CA ARG A 51 -2.762 17.127 5.079 1.00 0.00 C ATOM 765 C ARG A 51 -4.187 17.670 5.123 1.00 0.00 C ATOM 766 O ARG A 51 -4.955 17.547 4.168 1.00 0.00 O ATOM 767 CB ARG A 51 -2.222 17.195 3.649 1.00 0.00 C ATOM 768 CG ARG A 51 -0.725 17.446 3.575 1.00 0.00 C ATOM 769 CD ARG A 51 0.067 16.226 4.016 1.00 0.00 C ATOM 770 NE ARG A 51 1.442 16.258 3.524 1.00 0.00 N ATOM 771 CZ ARG A 51 2.412 15.487 4.002 1.00 0.00 C ATOM 772 NH1 ARG A 51 2.159 14.627 4.979 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.638 15.574 3.502 1.00 0.00 N ATOM 0 H ARG A 51 -3.372 15.121 5.123 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.137 17.743 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.451 16.260 3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.742 17.987 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.449 17.710 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.466 18.297 4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.073 16.172 5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.426 15.324 3.655 1.00 0.00 H new ATOM 0 HE ARG A 51 1.670 16.908 2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.218 14.556 5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.906 14.036 5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.836 16.234 2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.382 14.981 3.870 1.00 0.00 H new ATOM 787 N PRO A 52 -4.551 18.287 6.257 1.00 0.00 N ATOM 788 CA PRO A 52 -5.886 18.862 6.453 1.00 0.00 C ATOM 789 C PRO A 52 -6.116 20.098 5.591 1.00 0.00 C ATOM 790 O PRO A 52 -7.239 20.589 5.482 1.00 0.00 O ATOM 791 CB PRO A 52 -5.897 19.234 7.937 1.00 0.00 C ATOM 792 CG PRO A 52 -4.464 19.437 8.288 1.00 0.00 C ATOM 793 CD PRO A 52 -3.688 18.471 7.436 1.00 0.00 C ATOM 0 HA PRO A 52 -6.676 18.167 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.480 20.138 8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.344 18.443 8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.156 20.464 8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.291 19.249 9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.712 18.872 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.511 17.529 7.956 1.00 0.00 H new ATOM 801 N GLU A 53 -5.045 20.597 4.981 1.00 0.00 N ATOM 802 CA GLU A 53 -5.133 21.777 4.129 1.00 0.00 C ATOM 803 C GLU A 53 -5.768 21.433 2.785 1.00 0.00 C ATOM 804 O GLU A 53 -6.527 22.224 2.223 1.00 0.00 O ATOM 805 CB GLU A 53 -3.743 22.379 3.910 1.00 0.00 C ATOM 806 CG GLU A 53 -3.705 23.443 2.825 1.00 0.00 C ATOM 807 CD GLU A 53 -2.585 24.444 3.030 1.00 0.00 C ATOM 808 OE1 GLU A 53 -1.442 24.013 3.287 1.00 0.00 O ATOM 809 OE2 GLU A 53 -2.853 25.660 2.932 1.00 0.00 O ATOM 0 H GLU A 53 -4.108 20.203 5.061 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.764 22.510 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.393 22.814 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.048 21.581 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.585 22.963 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.659 23.970 2.804 1.00 0.00 H new ATOM 816 N LEU A 54 -5.453 20.247 2.275 1.00 0.00 N ATOM 817 CA LEU A 54 -5.992 19.796 0.997 1.00 0.00 C ATOM 818 C LEU A 54 -7.476 19.464 1.118 1.00 0.00 C ATOM 819 O LEU A 54 -8.276 19.827 0.255 1.00 0.00 O ATOM 820 CB LEU A 54 -5.222 18.572 0.500 1.00 0.00 C ATOM 821 CG LEU A 54 -3.699 18.702 0.473 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.054 17.360 0.163 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.271 19.749 -0.545 1.00 0.00 C ATOM 0 H LEU A 54 -4.827 19.581 2.727 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.878 20.606 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.483 17.723 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.564 18.337 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.364 19.024 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.970 17.472 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.333 16.636 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.396 17.008 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.184 19.828 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.619 19.457 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.704 20.713 -0.279 1.00 0.00 H new ATOM 835 N ILE A 55 -7.836 18.774 2.195 1.00 0.00 N ATOM 836 CA ILE A 55 -9.224 18.396 2.431 1.00 0.00 C ATOM 837 C ILE A 55 -9.679 18.817 3.824 1.00 0.00 C ATOM 838 O ILE A 55 -8.965 18.623 4.807 1.00 0.00 O ATOM 839 CB ILE A 55 -9.428 16.878 2.273 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.005 16.426 0.874 1.00 0.00 C ATOM 841 CG2 ILE A 55 -10.880 16.508 2.538 1.00 0.00 C ATOM 842 CD1 ILE A 55 -8.939 14.923 0.718 1.00 0.00 C ATOM 0 H ILE A 55 -7.186 18.465 2.918 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.824 18.915 1.683 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.803 16.365 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.707 16.828 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.028 16.850 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.008 15.432 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.150 16.799 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.523 17.028 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.633 14.676 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.216 14.515 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.921 14.493 0.916 1.00 0.00 H new ATOM 854 N ASN A 56 -10.875 19.394 3.900 1.00 0.00 N ATOM 855 CA ASN A 56 -11.427 19.841 5.174 1.00 0.00 C ATOM 856 C ASN A 56 -12.711 19.087 5.505 1.00 0.00 C ATOM 857 O ASN A 56 -13.800 19.481 5.089 1.00 0.00 O ATOM 858 CB ASN A 56 -11.703 21.346 5.133 1.00 0.00 C ATOM 859 CG ASN A 56 -11.875 21.940 6.518 1.00 0.00 C ATOM 860 OD1 ASN A 56 -13.101 22.330 6.846 1.00 0.00 O flip ATOM 861 ND2 ASN A 56 -10.916 22.046 7.283 1.00 0.00 N flip ATOM 0 H ASN A 56 -11.479 19.563 3.096 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.693 19.633 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.881 21.850 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.603 21.532 4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.991 21.733 6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.046 22.447 8.212 1.00 0.00 H new ATOM 868 N PHE A 57 -12.574 17.999 6.257 1.00 0.00 N ATOM 869 CA PHE A 57 -13.722 17.189 6.645 1.00 0.00 C ATOM 870 C PHE A 57 -14.880 18.070 7.104 1.00 0.00 C ATOM 871 O PHE A 57 -15.989 17.981 6.576 1.00 0.00 O ATOM 872 CB PHE A 57 -13.334 16.216 7.761 1.00 0.00 C ATOM 873 CG PHE A 57 -14.335 15.117 7.974 1.00 0.00 C ATOM 874 CD1 PHE A 57 -14.250 13.935 7.256 1.00 0.00 C ATOM 875 CD2 PHE A 57 -15.362 15.267 8.892 1.00 0.00 C ATOM 876 CE1 PHE A 57 -15.170 12.922 7.450 1.00 0.00 C ATOM 877 CE2 PHE A 57 -16.285 14.257 9.091 1.00 0.00 C ATOM 878 CZ PHE A 57 -16.189 13.084 8.368 1.00 0.00 C ATOM 0 H PHE A 57 -11.679 17.659 6.609 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.044 16.621 5.772 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.366 15.774 7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.213 16.772 8.691 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.456 13.804 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.442 16.183 9.458 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.092 12.005 6.885 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.080 14.385 9.811 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.910 12.294 8.520 1.00 0.00 H new ATOM 888 N ASP A 58 -14.614 18.920 8.090 1.00 0.00 N ATOM 889 CA ASP A 58 -15.633 19.818 8.620 1.00 0.00 C ATOM 890 C ASP A 58 -16.559 20.306 7.511 1.00 0.00 C ATOM 891 O ASP A 58 -17.763 20.460 7.716 1.00 0.00 O ATOM 892 CB ASP A 58 -14.978 21.012 9.316 1.00 0.00 C ATOM 893 CG ASP A 58 -14.679 20.738 10.777 1.00 0.00 C ATOM 894 OD1 ASP A 58 -15.431 19.961 11.401 1.00 0.00 O ATOM 895 OD2 ASP A 58 -13.692 21.301 11.296 1.00 0.00 O ATOM 0 H ASP A 58 -13.702 19.006 8.538 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.227 19.264 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.052 21.266 8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.634 21.879 9.239 1.00 0.00 H new ATOM 900 N SER A 59 -15.989 20.548 6.335 1.00 0.00 N ATOM 901 CA SER A 59 -16.762 21.023 5.193 1.00 0.00 C ATOM 902 C SER A 59 -17.471 19.864 4.497 1.00 0.00 C ATOM 903 O SER A 59 -18.632 19.978 4.103 1.00 0.00 O ATOM 904 CB SER A 59 -15.853 21.749 4.201 1.00 0.00 C ATOM 905 OG SER A 59 -16.612 22.498 3.268 1.00 0.00 O ATOM 0 H SER A 59 -14.994 20.423 6.148 1.00 0.00 H new ATOM 0 HA SER A 59 -17.516 21.719 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.177 22.412 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.234 21.024 3.672 1.00 0.00 H new ATOM 0 HG SER A 59 -16.008 22.954 2.646 1.00 0.00 H new ATOM 911 N LEU A 60 -16.764 18.750 4.350 1.00 0.00 N ATOM 912 CA LEU A 60 -17.323 17.569 3.701 1.00 0.00 C ATOM 913 C LEU A 60 -18.656 17.181 4.333 1.00 0.00 C ATOM 914 O LEU A 60 -18.727 16.887 5.525 1.00 0.00 O ATOM 915 CB LEU A 60 -16.342 16.399 3.794 1.00 0.00 C ATOM 916 CG LEU A 60 -14.939 16.654 3.243 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.092 15.394 3.337 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.012 17.144 1.804 1.00 0.00 C ATOM 0 H LEU A 60 -15.802 18.639 4.671 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.495 17.808 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.252 16.109 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.770 15.549 3.263 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.468 17.430 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.097 15.594 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.012 15.086 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.560 14.597 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.004 17.320 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.503 16.391 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.582 18.072 1.764 1.00 0.00 H new ATOM 930 N ASN A 61 -19.711 17.181 3.524 1.00 0.00 N ATOM 931 CA ASN A 61 -21.042 16.827 4.003 1.00 0.00 C ATOM 932 C ASN A 61 -21.446 15.440 3.513 1.00 0.00 C ATOM 933 O ASN A 61 -21.538 15.199 2.310 1.00 0.00 O ATOM 934 CB ASN A 61 -22.067 17.864 3.537 1.00 0.00 C ATOM 935 CG ASN A 61 -23.445 17.264 3.338 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.849 16.354 4.062 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.176 17.775 2.353 1.00 0.00 N ATOM 0 H ASN A 61 -19.670 17.422 2.534 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.017 16.814 5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.126 18.668 4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.729 18.310 2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.112 17.413 2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -23.801 18.529 1.778 1.00 0.00 H new ATOM 944 N GLU A 62 -21.686 14.532 4.454 1.00 0.00 N ATOM 945 CA GLU A 62 -22.080 13.169 4.118 1.00 0.00 C ATOM 946 C GLU A 62 -23.081 13.161 2.965 1.00 0.00 C ATOM 947 O GLU A 62 -22.922 12.418 1.997 1.00 0.00 O ATOM 948 CB GLU A 62 -22.687 12.474 5.338 1.00 0.00 C ATOM 949 CG GLU A 62 -23.297 11.118 5.025 1.00 0.00 C ATOM 950 CD GLU A 62 -23.895 10.451 6.249 1.00 0.00 C ATOM 951 OE1 GLU A 62 -23.119 9.960 7.095 1.00 0.00 O ATOM 952 OE2 GLU A 62 -25.139 10.419 6.359 1.00 0.00 O ATOM 0 H GLU A 62 -21.614 14.716 5.455 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.187 12.627 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.914 12.349 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.454 13.118 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.071 11.238 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -22.532 10.469 4.599 1.00 0.00 H new ATOM 959 N ASP A 63 -24.110 13.993 3.077 1.00 0.00 N ATOM 960 CA ASP A 63 -25.137 14.083 2.045 1.00 0.00 C ATOM 961 C ASP A 63 -24.526 14.477 0.704 1.00 0.00 C ATOM 962 O ASP A 63 -24.990 14.046 -0.351 1.00 0.00 O ATOM 963 CB ASP A 63 -26.209 15.097 2.449 1.00 0.00 C ATOM 964 CG ASP A 63 -26.850 15.769 1.251 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.558 15.076 0.490 1.00 0.00 O ATOM 966 OD2 ASP A 63 -26.645 16.988 1.075 1.00 0.00 O ATOM 0 H ASP A 63 -24.256 14.615 3.872 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.598 13.101 1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.978 14.594 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.763 15.856 3.092 1.00 0.00 H new ATOM 971 N ASP A 64 -23.483 15.299 0.754 1.00 0.00 N ATOM 972 CA ASP A 64 -22.809 15.752 -0.457 1.00 0.00 C ATOM 973 C ASP A 64 -21.761 14.738 -0.907 1.00 0.00 C ATOM 974 O ASP A 64 -20.631 15.101 -1.232 1.00 0.00 O ATOM 975 CB ASP A 64 -22.151 17.113 -0.222 1.00 0.00 C ATOM 976 CG ASP A 64 -23.126 18.262 -0.387 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.134 18.088 -1.104 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.881 19.336 0.202 1.00 0.00 O ATOM 0 H ASP A 64 -23.086 15.665 1.620 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.557 15.850 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.728 17.140 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.324 17.239 -0.920 1.00 0.00 H new ATOM 983 N ALA A 65 -22.145 13.466 -0.922 1.00 0.00 N ATOM 984 CA ALA A 65 -21.239 12.399 -1.332 1.00 0.00 C ATOM 985 C ALA A 65 -20.565 12.732 -2.658 1.00 0.00 C ATOM 986 O ALA A 65 -19.340 12.835 -2.735 1.00 0.00 O ATOM 987 CB ALA A 65 -21.990 11.080 -1.436 1.00 0.00 C ATOM 0 H ALA A 65 -23.077 13.149 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.462 12.303 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.302 10.293 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.420 10.829 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.787 11.172 -2.173 1.00 0.00 H new ATOM 993 N VAL A 66 -21.371 12.899 -3.702 1.00 0.00 N ATOM 994 CA VAL A 66 -20.852 13.220 -5.026 1.00 0.00 C ATOM 995 C VAL A 66 -19.703 14.218 -4.938 1.00 0.00 C ATOM 996 O VAL A 66 -18.660 14.034 -5.565 1.00 0.00 O ATOM 997 CB VAL A 66 -21.952 13.800 -5.935 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.383 14.165 -7.297 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.102 12.814 -6.075 1.00 0.00 C ATOM 0 H VAL A 66 -22.387 12.817 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.488 12.288 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.337 14.710 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.175 14.573 -7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.597 14.910 -7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.969 13.274 -7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.870 13.240 -6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.734 11.886 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.527 12.609 -5.092 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.902 15.274 -4.156 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.881 16.302 -3.987 1.00 0.00 C ATOM 1011 C GLU A 67 -17.681 15.755 -3.218 1.00 0.00 C ATOM 1012 O GLU A 67 -16.533 15.994 -3.589 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.461 17.513 -3.254 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.691 18.099 -3.926 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.345 19.161 -4.952 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -19.730 20.178 -4.568 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.689 18.975 -6.138 1.00 0.00 O ATOM 0 H GLU A 67 -20.760 15.440 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.546 16.612 -4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.718 17.222 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.695 18.285 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.251 17.299 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.344 18.531 -3.167 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.958 15.022 -2.145 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.902 14.442 -1.322 1.00 0.00 C ATOM 1026 C ASN A 68 -15.981 13.561 -2.161 1.00 0.00 C ATOM 1027 O ASN A 68 -14.778 13.805 -2.243 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.508 13.624 -0.180 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.293 14.482 0.792 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.917 15.618 1.078 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.391 13.939 1.306 1.00 0.00 N ATOM 0 H ASN A 68 -18.904 14.815 -1.825 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.313 15.258 -0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.163 12.857 -0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.712 13.108 0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.960 14.468 1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.665 12.993 1.040 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.556 12.537 -2.784 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.786 11.620 -3.617 1.00 0.00 C ATOM 1040 C ASN A 69 -14.975 12.382 -4.660 1.00 0.00 C ATOM 1041 O ASN A 69 -13.746 12.325 -4.666 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.718 10.623 -4.308 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.105 9.469 -3.403 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.245 8.749 -2.895 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.405 9.288 -3.199 1.00 0.00 N ATOM 0 H ASN A 69 -17.551 12.322 -2.728 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.095 11.076 -2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.619 11.141 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.230 10.233 -5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.726 8.527 -2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.082 9.910 -3.641 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.672 13.096 -5.538 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.016 13.870 -6.585 1.00 0.00 C ATOM 1054 C GLN A 70 -13.814 14.627 -6.030 1.00 0.00 C ATOM 1055 O GLN A 70 -12.738 14.632 -6.630 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.004 14.850 -7.219 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.704 15.159 -8.677 1.00 0.00 C ATOM 1058 CD GLN A 70 -14.336 15.782 -8.872 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -14.109 16.936 -8.508 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -13.415 15.020 -9.450 1.00 0.00 N ATOM 0 H GLN A 70 -16.690 13.154 -5.545 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.664 13.176 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.010 14.438 -7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.996 15.780 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.767 14.240 -9.260 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.466 15.835 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.646 14.069 -9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.476 15.386 -9.608 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.004 15.268 -4.882 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.935 16.030 -4.246 1.00 0.00 C ATOM 1071 C LEU A 71 -11.697 15.163 -4.038 1.00 0.00 C ATOM 1072 O LEU A 71 -10.669 15.367 -4.684 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.410 16.589 -2.904 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.366 17.351 -2.086 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.868 18.564 -2.855 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.943 17.769 -0.741 1.00 0.00 C ATOM 0 H LEU A 71 -14.888 15.275 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.670 16.857 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.254 17.254 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.782 15.762 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.520 16.689 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.126 19.094 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.415 18.240 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.705 19.229 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.186 18.310 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.807 18.414 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.250 16.883 -0.185 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.804 14.194 -3.135 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.695 13.294 -2.846 1.00 0.00 C ATOM 1090 C ALA A 72 -9.954 12.908 -4.122 1.00 0.00 C ATOM 1091 O ALA A 72 -8.723 12.912 -4.162 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.198 12.049 -2.129 1.00 0.00 C ATOM 0 H ALA A 72 -12.648 14.012 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.995 13.818 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.359 11.386 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.676 12.337 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.920 11.532 -2.761 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.710 12.575 -5.162 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.124 12.186 -6.440 1.00 0.00 C ATOM 1100 C PHE A 73 -9.330 13.338 -7.048 1.00 0.00 C ATOM 1101 O PHE A 73 -8.157 13.185 -7.390 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.218 11.737 -7.411 1.00 0.00 C ATOM 1103 CG PHE A 73 -11.964 10.517 -6.951 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.282 9.413 -6.465 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.348 10.473 -7.006 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -11.965 8.289 -6.042 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.037 9.352 -6.583 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.344 8.258 -6.101 1.00 0.00 C ATOM 0 H PHE A 73 -11.730 12.566 -5.146 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.443 11.354 -6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.926 12.554 -7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.769 11.533 -8.383 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.203 9.431 -6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.895 11.324 -7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.421 7.435 -5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.116 9.331 -6.629 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.880 7.380 -5.771 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.978 14.490 -7.180 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.333 15.669 -7.746 1.00 0.00 C ATOM 1120 C ASP A 74 -8.052 16.005 -6.988 1.00 0.00 C ATOM 1121 O ASP A 74 -7.021 16.301 -7.592 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.287 16.864 -7.713 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.811 18.009 -8.586 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.482 17.760 -9.765 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.769 19.154 -8.090 1.00 0.00 O ATOM 0 H ASP A 74 -10.949 14.633 -6.903 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.074 15.449 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.276 16.545 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.392 17.213 -6.686 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.125 15.957 -5.662 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.972 16.256 -4.821 1.00 0.00 C ATOM 1132 C VAL A 75 -5.833 15.277 -5.083 1.00 0.00 C ATOM 1133 O VAL A 75 -4.667 15.667 -5.142 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.340 16.210 -3.326 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.111 16.457 -2.465 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.431 17.224 -3.016 1.00 0.00 C ATOM 0 H VAL A 75 -8.971 15.714 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.647 17.265 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.722 15.216 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.391 16.421 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.364 15.690 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.696 17.438 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.679 17.179 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.078 18.225 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.318 16.996 -3.607 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.179 14.003 -5.239 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.185 12.968 -5.497 1.00 0.00 C ATOM 1148 C ALA A 76 -4.625 13.085 -6.910 1.00 0.00 C ATOM 1149 O ALA A 76 -3.463 12.760 -7.155 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.792 11.589 -5.280 1.00 0.00 C ATOM 0 H ALA A 76 -7.140 13.663 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.362 13.106 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.039 10.825 -5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.138 11.502 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.634 11.451 -5.958 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.457 13.551 -7.836 1.00 0.00 N ATOM 1157 CA GLU A 77 -5.043 13.709 -9.225 1.00 0.00 C ATOM 1158 C GLU A 77 -4.311 15.032 -9.427 1.00 0.00 C ATOM 1159 O GLU A 77 -3.675 15.251 -10.459 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.258 13.639 -10.153 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.895 13.441 -11.615 1.00 0.00 C ATOM 1162 CD GLU A 77 -6.928 14.028 -12.557 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -8.135 13.924 -12.254 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -6.529 14.592 -13.598 1.00 0.00 O ATOM 0 H GLU A 77 -6.421 13.826 -7.649 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.360 12.895 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.903 12.820 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.836 14.558 -10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.927 13.902 -11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.788 12.375 -11.818 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.404 15.911 -8.435 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.752 17.214 -8.503 1.00 0.00 C ATOM 1173 C ARG A 78 -2.466 17.222 -7.682 1.00 0.00 C ATOM 1174 O ARG A 78 -1.488 17.871 -8.051 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.697 18.308 -8.002 1.00 0.00 C ATOM 1176 CG ARG A 78 -5.732 18.736 -9.030 1.00 0.00 C ATOM 1177 CD ARG A 78 -5.108 19.579 -10.131 1.00 0.00 C ATOM 1178 NE ARG A 78 -4.567 20.836 -9.619 1.00 0.00 N ATOM 1179 CZ ARG A 78 -3.687 21.580 -10.278 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -3.249 21.196 -11.469 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -3.242 22.711 -9.746 1.00 0.00 N ATOM 0 H ARG A 78 -4.925 15.745 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.499 17.412 -9.545 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.210 17.952 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.109 19.177 -7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.199 17.853 -9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.521 19.304 -8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.312 19.012 -10.614 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.857 19.791 -10.894 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.883 21.160 -8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.588 20.327 -11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.573 21.770 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.576 23.010 -8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.566 23.282 -10.253 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.477 16.496 -6.568 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.311 16.422 -5.695 1.00 0.00 C ATOM 1197 C GLU A 79 -0.449 15.212 -6.041 1.00 0.00 C ATOM 1198 O GLU A 79 0.747 15.342 -6.304 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.748 16.349 -4.230 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.061 17.705 -3.620 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.824 18.563 -3.439 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.384 19.185 -4.428 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.295 18.612 -2.309 1.00 0.00 O ATOM 0 H GLU A 79 -3.279 15.952 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.718 17.324 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.630 15.713 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.960 15.871 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.773 18.230 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.544 17.562 -2.653 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.064 14.034 -6.038 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.353 12.799 -6.349 1.00 0.00 C ATOM 1212 C PHE A 80 -0.271 12.585 -7.858 1.00 0.00 C ATOM 1213 O PHE A 80 0.595 11.861 -8.347 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.047 11.606 -5.690 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.414 11.844 -4.253 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.474 12.323 -3.355 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.698 11.589 -3.801 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.809 12.543 -2.032 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -3.039 11.806 -2.479 1.00 0.00 C ATOM 1220 CZ PHE A 80 -2.093 12.285 -1.594 1.00 0.00 C ATOM 0 H PHE A 80 -2.053 13.908 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 80 0.660 12.883 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.949 11.365 -6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.392 10.737 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.532 12.527 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.442 11.216 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.067 12.916 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.043 11.601 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.357 12.458 -0.561 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.180 13.221 -8.590 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.195 13.087 -10.035 1.00 0.00 C ATOM 1232 C GLY A 81 -1.716 11.737 -10.488 1.00 0.00 C ATOM 1233 O GLY A 81 -1.293 11.215 -11.520 1.00 0.00 O ATOM 0 H GLY A 81 -1.906 13.827 -8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.815 13.874 -10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.186 13.231 -10.420 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.635 11.170 -9.713 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.214 9.873 -10.040 1.00 0.00 C ATOM 1239 C ILE A 82 -4.618 10.027 -10.614 1.00 0.00 C ATOM 1240 O ILE A 82 -5.514 10.592 -9.986 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.274 8.956 -8.804 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.872 8.750 -8.227 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.905 7.620 -9.167 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.869 8.079 -6.871 1.00 0.00 C ATOM 0 H ILE A 82 -2.994 11.588 -8.855 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.566 9.418 -10.789 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.893 9.434 -8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.287 8.148 -8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.376 9.717 -8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.941 6.982 -8.284 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.917 7.784 -9.537 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.310 7.135 -9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.842 7.965 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.427 8.690 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.336 7.097 -6.950 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.818 9.510 -11.835 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.113 9.575 -12.520 1.00 0.00 C ATOM 1258 C PRO A 83 -7.161 8.683 -11.864 1.00 0.00 C ATOM 1259 O PRO A 83 -6.938 7.496 -11.623 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.793 9.076 -13.931 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.590 8.213 -13.764 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.796 8.823 -12.642 1.00 0.00 C ATOM 0 HA PRO A 83 -6.538 10.578 -12.494 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.628 8.515 -14.351 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.594 9.906 -14.609 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.875 7.188 -13.528 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.004 8.178 -14.683 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.270 8.064 -12.063 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.043 9.518 -13.014 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.333 9.264 -11.568 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.439 8.539 -10.937 1.00 0.00 C ATOM 1272 C PRO A 84 -10.072 7.517 -11.874 1.00 0.00 C ATOM 1273 O PRO A 84 -10.170 7.743 -13.080 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.441 9.646 -10.597 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.149 10.733 -11.573 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.668 10.675 -11.827 1.00 0.00 C ATOM 0 HA PRO A 84 -9.108 7.964 -10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.468 9.294 -10.692 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.317 9.991 -9.571 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.709 10.589 -12.497 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.439 11.705 -11.173 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.424 10.965 -12.849 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.120 11.346 -11.166 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.501 6.391 -11.313 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.126 5.334 -12.099 1.00 0.00 C ATOM 1286 C VAL A 85 -12.618 5.591 -12.277 1.00 0.00 C ATOM 1287 O VAL A 85 -13.209 5.210 -13.288 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.929 3.955 -11.442 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.452 3.599 -11.379 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.551 3.932 -10.054 1.00 0.00 C ATOM 0 H VAL A 85 -10.427 6.187 -10.316 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.641 5.336 -13.075 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.433 3.206 -12.053 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.333 2.621 -10.912 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.041 3.571 -12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.922 4.349 -10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.402 2.950 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.079 4.691 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.619 4.138 -10.130 1.00 0.00 H new ATOM 1300 N THR A 86 -13.224 6.242 -11.288 1.00 0.00 N ATOM 1301 CA THR A 86 -14.647 6.550 -11.335 1.00 0.00 C ATOM 1302 C THR A 86 -14.917 7.975 -10.864 1.00 0.00 C ATOM 1303 O THR A 86 -14.138 8.546 -10.100 1.00 0.00 O ATOM 1304 CB THR A 86 -15.463 5.572 -10.468 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.863 5.797 -10.662 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.116 5.735 -8.996 1.00 0.00 C ATOM 0 H THR A 86 -12.750 6.566 -10.445 1.00 0.00 H new ATOM 0 HA THR A 86 -14.958 6.448 -12.375 1.00 0.00 H new ATOM 0 HB THR A 86 -15.214 4.556 -10.773 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.375 5.170 -10.109 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.704 5.034 -8.404 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.055 5.534 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.340 6.754 -8.680 1.00 0.00 H new ATOM 1314 N THR A 87 -16.027 8.545 -11.323 1.00 0.00 N ATOM 1315 CA THR A 87 -16.399 9.903 -10.949 1.00 0.00 C ATOM 1316 C THR A 87 -17.378 9.903 -9.780 1.00 0.00 C ATOM 1317 O THR A 87 -18.298 9.087 -9.728 1.00 0.00 O ATOM 1318 CB THR A 87 -17.032 10.659 -12.133 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.253 10.022 -12.523 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.077 10.705 -13.316 1.00 0.00 C ATOM 0 H THR A 87 -16.684 8.087 -11.955 1.00 0.00 H new ATOM 0 HA THR A 87 -15.482 10.411 -10.652 1.00 0.00 H new ATOM 0 HB THR A 87 -17.241 11.680 -11.815 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.650 10.509 -13.275 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.545 11.243 -14.140 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.159 11.215 -13.023 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.842 9.689 -13.633 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.174 10.824 -8.843 1.00 0.00 N ATOM 1329 CA GLY A 88 -18.047 10.912 -7.687 1.00 0.00 C ATOM 1330 C GLY A 88 -19.495 10.619 -8.030 1.00 0.00 C ATOM 1331 O GLY A 88 -20.154 9.830 -7.353 1.00 0.00 O ATOM 0 H GLY A 88 -16.420 11.511 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.708 10.210 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.974 11.910 -7.255 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.992 11.256 -9.085 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.370 11.061 -9.518 1.00 0.00 C ATOM 1337 C LYS A 89 -21.726 9.578 -9.549 1.00 0.00 C ATOM 1338 O LYS A 89 -22.714 9.155 -8.950 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.584 11.676 -10.902 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.991 13.139 -10.861 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.502 13.296 -10.797 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.034 13.007 -9.402 1.00 0.00 C ATOM 1343 NZ LYS A 89 -25.456 13.422 -9.254 1.00 0.00 N ATOM 0 H LYS A 89 -19.460 11.912 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.023 11.559 -8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.665 11.579 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.352 11.108 -11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.537 13.620 -9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.608 13.649 -11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.776 14.310 -11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.970 12.620 -11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.943 11.941 -9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -23.424 13.530 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -25.781 13.208 -8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -25.539 14.444 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -26.042 12.904 -9.940 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.912 8.793 -10.249 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.142 7.357 -10.356 1.00 0.00 C ATOM 1359 C GLU A 90 -20.825 6.656 -9.039 1.00 0.00 C ATOM 1360 O GLU A 90 -21.552 5.760 -8.610 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.289 6.765 -11.480 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.723 7.203 -12.869 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.897 6.399 -13.394 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -21.664 5.310 -13.960 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -23.048 6.859 -13.239 1.00 0.00 O ATOM 0 H GLU A 90 -20.089 9.127 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.196 7.199 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.249 7.053 -11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -20.330 5.677 -11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.992 8.259 -12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.883 7.104 -13.556 1.00 0.00 H new ATOM 1372 N MET A 91 -19.735 7.070 -8.402 1.00 0.00 N ATOM 1373 CA MET A 91 -19.322 6.482 -7.133 1.00 0.00 C ATOM 1374 C MET A 91 -20.481 6.459 -6.141 1.00 0.00 C ATOM 1375 O MET A 91 -20.651 5.497 -5.393 1.00 0.00 O ATOM 1376 CB MET A 91 -18.146 7.262 -6.543 1.00 0.00 C ATOM 1377 CG MET A 91 -17.452 6.543 -5.398 1.00 0.00 C ATOM 1378 SD MET A 91 -16.597 5.048 -5.933 1.00 0.00 S ATOM 1379 CE MET A 91 -17.211 3.861 -4.740 1.00 0.00 C ATOM 0 H MET A 91 -19.122 7.810 -8.743 1.00 0.00 H new ATOM 0 HA MET A 91 -19.009 5.455 -7.322 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.419 7.459 -7.331 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.503 8.230 -6.190 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.736 7.219 -4.931 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.188 6.283 -4.638 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.239 2.870 -5.194 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.552 3.844 -3.872 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.216 4.146 -4.428 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.275 7.525 -6.142 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.418 7.627 -5.243 1.00 0.00 C ATOM 1391 C ALA A 92 -23.647 6.949 -5.840 1.00 0.00 C ATOM 1392 O ALA A 92 -24.421 6.309 -5.129 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.717 9.086 -4.931 1.00 0.00 C ATOM 0 H ALA A 92 -21.148 8.330 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.166 7.114 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.573 9.146 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.849 9.542 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.944 9.617 -5.856 1.00 0.00 H new ATOM 1399 N SER A 93 -23.820 7.095 -7.150 1.00 0.00 N ATOM 1400 CA SER A 93 -24.957 6.500 -7.842 1.00 0.00 C ATOM 1401 C SER A 93 -24.932 4.980 -7.722 1.00 0.00 C ATOM 1402 O SER A 93 -25.868 4.371 -7.205 1.00 0.00 O ATOM 1403 CB SER A 93 -24.954 6.908 -9.316 1.00 0.00 C ATOM 1404 OG SER A 93 -25.456 8.222 -9.484 1.00 0.00 O ATOM 0 H SER A 93 -23.187 7.620 -7.753 1.00 0.00 H new ATOM 0 HA SER A 93 -25.869 6.868 -7.373 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.939 6.850 -9.710 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.560 6.208 -9.891 1.00 0.00 H new ATOM 0 HG SER A 93 -24.726 8.867 -9.375 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.853 4.373 -8.205 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.703 2.924 -8.151 1.00 0.00 C ATOM 1412 C ALA A 94 -23.924 2.401 -6.736 1.00 0.00 C ATOM 1413 O ALA A 94 -23.277 2.851 -5.790 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.327 2.516 -8.657 1.00 0.00 C ATOM 0 H ALA A 94 -23.070 4.862 -8.638 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.462 2.481 -8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.229 1.431 -8.611 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.205 2.848 -9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.559 2.976 -8.035 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.843 1.451 -6.598 1.00 0.00 N ATOM 1421 CA GLN A 95 -25.150 0.869 -5.296 1.00 0.00 C ATOM 1422 C GLN A 95 -23.978 0.040 -4.781 1.00 0.00 C ATOM 1423 O GLN A 95 -23.468 0.283 -3.688 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.405 -0.001 -5.387 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.752 -0.705 -4.085 1.00 0.00 C ATOM 1426 CD GLN A 95 -26.085 -2.060 -3.957 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -26.175 -2.896 -4.857 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -25.410 -2.285 -2.836 1.00 0.00 N ATOM 0 H GLN A 95 -25.388 1.068 -7.371 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.331 1.683 -4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -27.247 0.621 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.263 -0.748 -6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -26.453 -0.077 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -27.833 -0.829 -4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -25.361 -1.564 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -24.940 -3.179 -2.694 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.557 -0.940 -5.575 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.446 -1.805 -5.197 1.00 0.00 C ATOM 1439 C GLU A 96 -21.355 -1.786 -6.263 1.00 0.00 C ATOM 1440 O GLU A 96 -21.422 -2.493 -7.269 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.938 -3.238 -4.979 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.929 -4.126 -4.270 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.384 -5.570 -4.182 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.995 -6.059 -5.155 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.129 -6.210 -3.141 1.00 0.00 O ATOM 0 H GLU A 96 -23.969 -1.154 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.025 -1.428 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.859 -3.212 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -23.183 -3.680 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.976 -4.081 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.755 -3.742 -3.265 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.324 -0.958 -6.039 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.198 -0.826 -6.969 1.00 0.00 C ATOM 1454 C PRO A 97 -18.319 -2.072 -6.994 1.00 0.00 C ATOM 1455 O PRO A 97 -18.507 -2.993 -6.199 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.418 0.368 -6.414 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.760 0.404 -4.964 1.00 0.00 C ATOM 1458 CD PRO A 97 -20.178 -0.086 -4.861 1.00 0.00 C ATOM 0 HA PRO A 97 -19.532 -0.693 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.346 0.245 -6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.705 1.294 -6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.085 -0.229 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.666 1.414 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.348 -0.632 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.891 0.739 -4.881 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.358 -2.093 -7.911 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.448 -3.225 -8.039 1.00 0.00 C ATOM 1468 C ASP A 98 -15.366 -3.177 -6.964 1.00 0.00 C ATOM 1469 O ASP A 98 -14.648 -2.186 -6.834 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.805 -3.237 -9.426 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.712 -3.840 -10.480 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -16.801 -5.084 -10.543 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -17.333 -3.069 -11.242 1.00 0.00 O ATOM 0 H ASP A 98 -17.189 -1.339 -8.577 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.026 -4.140 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.548 -2.217 -9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.873 -3.802 -9.386 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.256 -4.254 -6.194 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.263 -4.337 -5.130 1.00 0.00 C ATOM 1480 C LYS A 99 -12.850 -4.347 -5.704 1.00 0.00 C ATOM 1481 O LYS A 99 -11.896 -3.937 -5.041 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.491 -5.593 -4.286 1.00 0.00 C ATOM 1483 CG LYS A 99 -14.106 -6.880 -4.996 1.00 0.00 C ATOM 1484 CD LYS A 99 -13.804 -7.993 -4.006 1.00 0.00 C ATOM 1485 CE LYS A 99 -15.057 -8.780 -3.654 1.00 0.00 C ATOM 1486 NZ LYS A 99 -15.767 -8.197 -2.482 1.00 0.00 N ATOM 0 H LYS A 99 -15.843 -5.083 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.373 -3.457 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.916 -5.510 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -15.542 -5.644 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -14.916 -7.189 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.233 -6.703 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.058 -8.665 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.373 -7.568 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.728 -8.798 -4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.788 -9.814 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.789 -8.892 -1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.269 -7.341 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.740 -7.950 -2.753 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.722 -4.817 -6.940 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.425 -4.879 -7.605 1.00 0.00 C ATOM 1502 C LEU A 100 -10.945 -3.484 -7.993 1.00 0.00 C ATOM 1503 O LEU A 100 -9.849 -3.067 -7.619 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.508 -5.767 -8.847 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.221 -7.253 -8.631 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.895 -7.441 -7.910 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.352 -7.907 -7.850 1.00 0.00 C ATOM 0 H LEU A 100 -13.501 -5.161 -7.502 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.707 -5.309 -6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.506 -5.669 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.806 -5.386 -9.589 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.153 -7.736 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.707 -8.505 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.092 -7.009 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.934 -6.944 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.131 -8.964 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.452 -7.421 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.284 -7.804 -8.405 1.00 0.00 H new ATOM 1519 N SER A 101 -11.774 -2.767 -8.745 1.00 0.00 N ATOM 1520 CA SER A 101 -11.433 -1.420 -9.186 1.00 0.00 C ATOM 1521 C SER A 101 -11.137 -0.516 -7.993 1.00 0.00 C ATOM 1522 O SER A 101 -10.344 0.420 -8.092 1.00 0.00 O ATOM 1523 CB SER A 101 -12.574 -0.829 -10.017 1.00 0.00 C ATOM 1524 OG SER A 101 -12.247 0.469 -10.482 1.00 0.00 O ATOM 0 H SER A 101 -12.686 -3.096 -9.061 1.00 0.00 H new ATOM 0 HA SER A 101 -10.537 -1.482 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.785 -1.480 -10.865 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.482 -0.785 -9.415 1.00 0.00 H new ATOM 0 HG SER A 101 -12.991 0.824 -11.011 1.00 0.00 H new ATOM 1530 N MET A 102 -11.780 -0.804 -6.867 1.00 0.00 N ATOM 1531 CA MET A 102 -11.585 -0.019 -5.653 1.00 0.00 C ATOM 1532 C MET A 102 -10.291 -0.416 -4.951 1.00 0.00 C ATOM 1533 O MET A 102 -9.450 0.431 -4.650 1.00 0.00 O ATOM 1534 CB MET A 102 -12.771 -0.203 -4.705 1.00 0.00 C ATOM 1535 CG MET A 102 -13.948 0.706 -5.020 1.00 0.00 C ATOM 1536 SD MET A 102 -13.498 2.452 -5.013 1.00 0.00 S ATOM 1537 CE MET A 102 -12.634 2.573 -3.448 1.00 0.00 C ATOM 0 H MET A 102 -12.441 -1.575 -6.769 1.00 0.00 H new ATOM 0 HA MET A 102 -11.516 1.031 -5.937 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.102 -1.241 -4.748 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.441 -0.016 -3.683 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.354 0.443 -5.997 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.739 0.536 -4.290 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.480 3.623 -3.197 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.227 2.096 -2.667 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.668 2.074 -3.526 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.137 -1.711 -4.692 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.944 -2.221 -4.025 1.00 0.00 C ATOM 1549 C VAL A 103 -7.683 -1.856 -4.800 1.00 0.00 C ATOM 1550 O VAL A 103 -6.663 -1.496 -4.213 1.00 0.00 O ATOM 1551 CB VAL A 103 -9.006 -3.750 -3.857 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.667 -4.289 -3.374 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -10.122 -4.136 -2.898 1.00 0.00 C ATOM 0 H VAL A 103 -10.823 -2.426 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.908 -1.756 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.222 -4.196 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.730 -5.371 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.893 -4.044 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.418 -3.838 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.151 -5.220 -2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.939 -3.680 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.076 -3.784 -3.290 1.00 0.00 H new ATOM 1563 N MET A 104 -7.760 -1.951 -6.124 1.00 0.00 N ATOM 1564 CA MET A 104 -6.625 -1.629 -6.980 1.00 0.00 C ATOM 1565 C MET A 104 -6.291 -0.143 -6.904 1.00 0.00 C ATOM 1566 O MET A 104 -5.121 0.238 -6.860 1.00 0.00 O ATOM 1567 CB MET A 104 -6.923 -2.024 -8.428 1.00 0.00 C ATOM 1568 CG MET A 104 -7.946 -1.125 -9.104 1.00 0.00 C ATOM 1569 SD MET A 104 -8.149 -1.500 -10.856 1.00 0.00 S ATOM 1570 CE MET A 104 -8.082 0.144 -11.564 1.00 0.00 C ATOM 0 H MET A 104 -8.596 -2.248 -6.626 1.00 0.00 H new ATOM 0 HA MET A 104 -5.763 -2.195 -6.627 1.00 0.00 H new ATOM 0 HB2 MET A 104 -5.996 -2.001 -9.001 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.285 -3.052 -8.449 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.907 -1.231 -8.600 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.640 -0.085 -8.992 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.069 0.421 -11.935 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.768 0.856 -10.801 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.368 0.157 -12.388 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.324 0.691 -6.890 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.139 2.136 -6.822 1.00 0.00 C ATOM 1582 C TYR A 105 -6.557 2.548 -5.474 1.00 0.00 C ATOM 1583 O TYR A 105 -5.534 3.231 -5.408 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.470 2.853 -7.056 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.329 4.347 -7.237 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -7.834 4.880 -8.421 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.690 5.227 -6.224 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.703 6.244 -8.591 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.564 6.593 -6.386 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.070 7.097 -7.571 1.00 0.00 C ATOM 1591 OH TYR A 105 -7.941 8.457 -7.735 1.00 0.00 O ATOM 0 H TYR A 105 -8.298 0.392 -6.925 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.436 2.424 -7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.949 2.432 -7.940 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.131 2.659 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.547 4.216 -9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.076 4.836 -5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.315 6.641 -9.518 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.851 7.263 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.245 8.915 -6.923 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.216 2.128 -4.399 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.765 2.451 -3.050 1.00 0.00 C ATOM 1603 C LEU A 106 -5.288 2.116 -2.875 1.00 0.00 C ATOM 1604 O LEU A 106 -4.515 2.923 -2.357 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.599 1.692 -2.017 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.095 2.003 -2.001 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.841 1.000 -1.134 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.340 3.422 -1.508 1.00 0.00 C ATOM 0 H LEU A 106 -8.064 1.563 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.896 3.522 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.473 0.624 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.194 1.903 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.473 1.923 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.905 1.238 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.694 -0.004 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.460 1.047 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.411 3.626 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.946 3.529 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.839 4.129 -2.170 1.00 0.00 H new ATOM 1620 N SER A 107 -4.901 0.922 -3.311 1.00 0.00 N ATOM 1621 CA SER A 107 -3.516 0.479 -3.201 1.00 0.00 C ATOM 1622 C SER A 107 -2.556 1.592 -3.610 1.00 0.00 C ATOM 1623 O SER A 107 -1.469 1.727 -3.048 1.00 0.00 O ATOM 1624 CB SER A 107 -3.283 -0.757 -4.072 1.00 0.00 C ATOM 1625 OG SER A 107 -3.871 -1.908 -3.491 1.00 0.00 O ATOM 0 H SER A 107 -5.527 0.243 -3.744 1.00 0.00 H new ATOM 0 HA SER A 107 -3.324 0.222 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.703 -0.591 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.213 -0.918 -4.202 1.00 0.00 H new ATOM 0 HG SER A 107 -4.834 -1.910 -3.672 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.966 2.387 -4.592 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.145 3.490 -5.077 1.00 0.00 C ATOM 1633 C LYS A 108 -1.630 4.336 -3.917 1.00 0.00 C ATOM 1634 O LYS A 108 -0.436 4.623 -3.827 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.948 4.364 -6.043 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.529 3.597 -7.218 1.00 0.00 C ATOM 1637 CD LYS A 108 -2.475 3.316 -8.276 1.00 0.00 C ATOM 1638 CE LYS A 108 -2.916 2.210 -9.223 1.00 0.00 C ATOM 1639 NZ LYS A 108 -1.822 1.804 -10.148 1.00 0.00 N ATOM 0 H LYS A 108 -3.863 2.288 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.289 3.069 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.760 4.844 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.305 5.159 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.952 2.656 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.345 4.169 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.277 4.225 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.540 3.032 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.243 1.346 -8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.775 2.549 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.162 1.049 -10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.527 2.623 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.012 1.457 -9.596 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.537 4.732 -3.031 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.174 5.545 -1.876 1.00 0.00 C ATOM 1655 C PHE A 109 -1.529 4.689 -0.790 1.00 0.00 C ATOM 1656 O PHE A 109 -0.458 5.018 -0.279 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.408 6.255 -1.317 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.192 7.003 -2.357 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.562 7.892 -3.212 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.560 6.817 -2.479 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.280 8.582 -4.170 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.284 7.504 -3.435 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.643 8.388 -4.281 1.00 0.00 C ATOM 0 H PHE A 109 -3.529 4.503 -3.090 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.451 6.293 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.058 5.519 -0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.095 6.951 -0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.497 8.048 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.066 6.127 -1.820 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.776 9.272 -4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.350 7.350 -3.520 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.207 8.927 -5.028 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.190 3.591 -0.441 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.684 2.689 0.587 1.00 0.00 C ATOM 1675 C TYR A 110 -0.170 2.531 0.477 1.00 0.00 C ATOM 1676 O TYR A 110 0.551 2.657 1.466 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.360 1.321 0.473 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.740 0.264 1.358 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.537 0.495 2.713 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -1.356 -0.967 0.839 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.971 -0.468 3.525 1.00 0.00 C ATOM 1682 CE2 TYR A 110 -0.790 -1.936 1.644 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.599 -1.682 2.987 1.00 0.00 C ATOM 1684 OH TYR A 110 -0.035 -2.644 3.792 1.00 0.00 O ATOM 0 H TYR A 110 -3.077 3.304 -0.855 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.916 3.122 1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.415 1.424 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.314 0.988 -0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.827 1.444 3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.503 -1.169 -0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.820 -0.271 4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.498 -2.888 1.225 1.00 0.00 H new ATOM 0 HH TYR A 110 0.168 -3.440 3.258 1.00 0.00 H new ATOM 1694 N GLU A 111 0.303 2.255 -0.735 1.00 0.00 N ATOM 1695 CA GLU A 111 1.730 2.080 -0.975 1.00 0.00 C ATOM 1696 C GLU A 111 2.474 3.404 -0.823 1.00 0.00 C ATOM 1697 O GLU A 111 3.436 3.505 -0.062 1.00 0.00 O ATOM 1698 CB GLU A 111 1.968 1.506 -2.373 1.00 0.00 C ATOM 1699 CG GLU A 111 1.537 0.056 -2.517 1.00 0.00 C ATOM 1700 CD GLU A 111 2.490 -0.906 -1.835 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.992 -0.570 -0.743 1.00 0.00 O ATOM 1702 OE2 GLU A 111 2.732 -1.996 -2.395 1.00 0.00 O ATOM 0 H GLU A 111 -0.281 2.148 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 111 2.114 1.380 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.428 2.111 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.028 1.587 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.539 -0.066 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.468 -0.195 -3.575 1.00 0.00 H new ATOM 1709 N LEU A 112 2.021 4.417 -1.554 1.00 0.00 N ATOM 1710 CA LEU A 112 2.643 5.736 -1.503 1.00 0.00 C ATOM 1711 C LEU A 112 2.914 6.154 -0.061 1.00 0.00 C ATOM 1712 O LEU A 112 4.027 6.556 0.280 1.00 0.00 O ATOM 1713 CB LEU A 112 1.747 6.771 -2.186 1.00 0.00 C ATOM 1714 CG LEU A 112 2.366 8.150 -2.411 1.00 0.00 C ATOM 1715 CD1 LEU A 112 3.267 8.137 -3.637 1.00 0.00 C ATOM 1716 CD2 LEU A 112 1.280 9.205 -2.557 1.00 0.00 C ATOM 0 H LEU A 112 1.225 4.350 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 112 3.595 5.683 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.436 6.372 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.845 6.893 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 112 2.973 8.401 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.699 9.127 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.066 7.410 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.682 7.864 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.739 10.180 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.646 8.959 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.675 9.233 -1.651 1.00 0.00 H new ATOM 1728 N PHE A 113 1.891 6.054 0.781 1.00 0.00 N ATOM 1729 CA PHE A 113 2.020 6.421 2.187 1.00 0.00 C ATOM 1730 C PHE A 113 2.771 5.343 2.963 1.00 0.00 C ATOM 1731 O PHE A 113 3.743 5.630 3.662 1.00 0.00 O ATOM 1732 CB PHE A 113 0.639 6.642 2.806 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.038 7.895 2.330 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.360 8.059 0.992 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -0.352 8.910 3.220 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.983 9.211 0.551 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -0.976 10.064 2.784 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.290 10.215 1.448 1.00 0.00 C ATOM 0 H PHE A 113 0.964 5.722 0.515 1.00 0.00 H new ATOM 0 HA PHE A 113 2.589 7.349 2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.005 5.786 2.575 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.738 6.682 3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.121 7.277 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -0.106 8.798 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.230 9.326 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.218 10.847 3.488 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.775 11.117 1.105 1.00 0.00 H new ATOM 1748 N ARG A 114 2.313 4.102 2.835 1.00 0.00 N ATOM 1749 CA ARG A 114 2.940 2.981 3.526 1.00 0.00 C ATOM 1750 C ARG A 114 4.025 2.348 2.660 1.00 0.00 C ATOM 1751 O ARG A 114 3.732 1.594 1.733 1.00 0.00 O ATOM 1752 CB ARG A 114 1.891 1.932 3.897 1.00 0.00 C ATOM 1753 CG ARG A 114 2.251 1.120 5.130 1.00 0.00 C ATOM 1754 CD ARG A 114 3.077 -0.105 4.768 1.00 0.00 C ATOM 1755 NE ARG A 114 3.980 -0.494 5.847 1.00 0.00 N ATOM 1756 CZ ARG A 114 5.186 0.036 6.024 1.00 0.00 C ATOM 1757 NH1 ARG A 114 5.629 0.972 5.197 1.00 0.00 N ATOM 1758 NH2 ARG A 114 5.950 -0.371 7.030 1.00 0.00 N ATOM 0 H ARG A 114 1.510 3.847 2.259 1.00 0.00 H new ATOM 0 HA ARG A 114 3.402 3.360 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 114 0.936 2.430 4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.753 1.255 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.810 1.744 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.340 0.808 5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.411 -0.936 4.536 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.656 0.101 3.868 1.00 0.00 H new ATOM 0 HE ARG A 114 3.668 -1.212 6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.044 1.287 4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.555 1.377 5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.612 -1.091 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.875 0.036 7.165 1.00 0.00 H new ATOM 1772 N GLY A 115 5.280 2.659 2.970 1.00 0.00 N ATOM 1773 CA GLY A 115 6.389 2.113 2.211 1.00 0.00 C ATOM 1774 C GLY A 115 7.628 2.983 2.285 1.00 0.00 C ATOM 1775 O GLY A 115 8.521 2.738 3.097 1.00 0.00 O ATOM 0 H GLY A 115 5.548 3.280 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.626 1.117 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.091 1.999 1.169 1.00 0.00 H new ATOM 1779 N THR A 116 7.684 4.004 1.435 1.00 0.00 N ATOM 1780 CA THR A 116 8.823 4.912 1.405 1.00 0.00 C ATOM 1781 C THR A 116 9.237 5.321 2.814 1.00 0.00 C ATOM 1782 O THR A 116 8.404 5.551 3.690 1.00 0.00 O ATOM 1783 CB THR A 116 8.510 6.179 0.587 1.00 0.00 C ATOM 1784 OG1 THR A 116 9.722 6.883 0.291 1.00 0.00 O ATOM 1785 CG2 THR A 116 7.560 7.093 1.346 1.00 0.00 C ATOM 0 H THR A 116 6.953 4.222 0.758 1.00 0.00 H new ATOM 0 HA THR A 116 9.643 4.374 0.929 1.00 0.00 H new ATOM 0 HB THR A 116 8.030 5.874 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 116 9.515 7.686 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 116 7.354 7.981 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 116 6.627 6.565 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 116 8.017 7.389 2.290 1.00 0.00 H new ATOM 1793 N PRO A 117 10.556 5.414 3.041 1.00 0.00 N ATOM 1794 CA PRO A 117 11.111 5.796 4.342 1.00 0.00 C ATOM 1795 C PRO A 117 10.851 7.261 4.676 1.00 0.00 C ATOM 1796 O PRO A 117 10.689 8.093 3.781 1.00 0.00 O ATOM 1797 CB PRO A 117 12.612 5.543 4.177 1.00 0.00 C ATOM 1798 CG PRO A 117 12.856 5.659 2.712 1.00 0.00 C ATOM 1799 CD PRO A 117 11.607 5.153 2.043 1.00 0.00 C ATOM 0 HA PRO A 117 10.658 5.234 5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.200 6.271 4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 117 12.891 4.557 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.058 6.692 2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 117 13.724 5.072 2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 117 11.412 5.677 1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 117 11.680 4.092 1.805 1.00 0.00 H new ATOM 1807 N LEU A 118 10.813 7.572 5.967 1.00 0.00 N ATOM 1808 CA LEU A 118 10.573 8.938 6.418 1.00 0.00 C ATOM 1809 C LEU A 118 11.876 9.729 6.476 1.00 0.00 C ATOM 1810 O LEU A 118 12.907 9.215 6.910 1.00 0.00 O ATOM 1811 CB LEU A 118 9.905 8.932 7.794 1.00 0.00 C ATOM 1812 CG LEU A 118 10.680 8.233 8.913 1.00 0.00 C ATOM 1813 CD1 LEU A 118 10.378 8.880 10.255 1.00 0.00 C ATOM 1814 CD2 LEU A 118 10.344 6.749 8.947 1.00 0.00 C ATOM 0 H LEU A 118 10.945 6.897 6.720 1.00 0.00 H new ATOM 0 HA LEU A 118 9.909 9.420 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 118 9.726 9.965 8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 118 8.930 8.454 7.701 1.00 0.00 H new ATOM 0 HG LEU A 118 11.746 8.340 8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 118 10.938 8.370 11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 118 10.669 9.930 10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 118 9.311 8.804 10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.904 6.267 9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 118 9.276 6.622 9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 118 10.611 6.294 7.993 1.00 0.00 H new ATOM 1826 N ARG A 119 11.821 10.983 6.038 1.00 0.00 N ATOM 1827 CA ARG A 119 12.996 11.845 6.041 1.00 0.00 C ATOM 1828 C ARG A 119 13.044 12.695 7.308 1.00 0.00 C ATOM 1829 O ARG A 119 12.016 13.075 7.869 1.00 0.00 O ATOM 1830 CB ARG A 119 12.995 12.749 4.807 1.00 0.00 C ATOM 1831 CG ARG A 119 11.798 13.684 4.738 1.00 0.00 C ATOM 1832 CD ARG A 119 11.534 14.147 3.314 1.00 0.00 C ATOM 1833 NE ARG A 119 10.959 13.087 2.491 1.00 0.00 N ATOM 1834 CZ ARG A 119 10.468 13.287 1.273 1.00 0.00 C ATOM 1835 NH1 ARG A 119 10.483 14.500 0.740 1.00 0.00 N ATOM 1836 NH2 ARG A 119 9.961 12.271 0.586 1.00 0.00 N ATOM 0 H ARG A 119 10.975 11.424 5.677 1.00 0.00 H new ATOM 0 HA ARG A 119 13.881 11.210 6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 119 13.909 13.342 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 119 13.012 12.128 3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 119 10.915 13.176 5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 119 11.974 14.550 5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 119 10.857 15.001 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 119 12.467 14.489 2.865 1.00 0.00 H new ATOM 0 HE ARG A 119 10.933 12.141 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.872 15.283 1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.105 14.651 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.948 11.336 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 119 9.584 12.425 -0.349 1.00 0.00 H new ATOM 1850 N PRO A 120 14.266 13.000 7.770 1.00 0.00 N ATOM 1851 CA PRO A 120 14.477 13.808 8.975 1.00 0.00 C ATOM 1852 C PRO A 120 14.082 15.267 8.772 1.00 0.00 C ATOM 1853 O PRO A 120 14.525 15.914 7.823 1.00 0.00 O ATOM 1854 CB PRO A 120 15.983 13.691 9.221 1.00 0.00 C ATOM 1855 CG PRO A 120 16.564 13.400 7.880 1.00 0.00 C ATOM 1856 CD PRO A 120 15.535 12.581 7.152 1.00 0.00 C ATOM 0 HA PRO A 120 13.867 13.462 9.809 1.00 0.00 H new ATOM 0 HB2 PRO A 120 16.389 14.613 9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 120 16.208 12.895 9.931 1.00 0.00 H new ATOM 0 HG2 PRO A 120 16.782 14.322 7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.503 12.855 7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 120 15.546 12.782 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.710 11.512 7.278 1.00 0.00 H new ATOM 1864 N VAL A 121 13.245 15.779 9.669 1.00 0.00 N ATOM 1865 CA VAL A 121 12.792 17.162 9.589 1.00 0.00 C ATOM 1866 C VAL A 121 13.966 18.116 9.399 1.00 0.00 C ATOM 1867 O VAL A 121 15.125 17.729 9.555 1.00 0.00 O ATOM 1868 CB VAL A 121 12.012 17.572 10.852 1.00 0.00 C ATOM 1869 CG1 VAL A 121 12.956 17.736 12.033 1.00 0.00 C ATOM 1870 CG2 VAL A 121 11.228 18.852 10.603 1.00 0.00 C ATOM 0 H VAL A 121 12.867 15.256 10.459 1.00 0.00 H new ATOM 0 HA VAL A 121 12.131 17.228 8.725 1.00 0.00 H new ATOM 0 HB VAL A 121 11.302 16.780 11.092 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.387 18.026 12.916 1.00 0.00 H new ATOM 0 HG12 VAL A 121 13.467 16.792 12.224 1.00 0.00 H new ATOM 0 HG13 VAL A 121 13.692 18.508 11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.683 19.126 11.506 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.916 19.654 10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.522 18.694 9.788 1.00 0.00 H new TER 1880 VAL A 121