USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 917 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 71 THR OG1 : rot 180:sc= -0.194 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.113 K(o=-0.31,f=-2.1!) USER MOD Set 2.1: A 66 ASN : amide:sc= -5.22! C(o=-5.8!,f=-4.1!) USER MOD Set 2.2: A 69 LYS NZ :NH3+ -154:sc= -0.627 (180deg=-2.13!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 139:sc= -0.154 (180deg=-0.655) USER MOD Single : A 15 CYS SG : rot 36:sc= 0.18 USER MOD Single : A 16 CYS SG : rot 180:sc= -3.49! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-4.8!) USER MOD Single : A 29 HIS : no HE2:sc= -0.761 K(o=-0.76,f=-3.2!) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.267) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.0748 K(o=0.075,f=-3.3!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0.354 USER MOD Single : A 46 SER OG : rot -107:sc= 0.906 USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.131) USER MOD Single : A 63 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.36) USER MOD Single : A 72 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.013) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 77 SER OG : rot 4:sc= 0.856 USER MOD Single : A 84 ASN : amide:sc= -0.0683 K(o=-0.068,f=-1.4!) USER MOD Single : A 95 THR OG1 : rot 70:sc= 1.04 USER MOD Single : A 98 GLN : amide:sc= 1.14 K(o=1.1,f=-0.003) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -5.27! K(o=-5.3!,f=-1.6) USER MOD Single : A 114 GLN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.0755 K(o=-0.076,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -15.229 -24.103 1.634 1.00 0.00 N ATOM 2 CA GLY A 4 -14.186 -23.640 0.688 1.00 0.00 C ATOM 3 C GLY A 4 -13.963 -22.146 0.771 1.00 0.00 C ATOM 4 O GLY A 4 -14.839 -21.355 0.419 1.00 0.00 O ATOM 0 HA2 GLY A 4 -13.250 -24.158 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.475 -23.907 -0.328 1.00 0.00 H new ATOM 10 N ILE A 5 -12.795 -21.755 1.251 1.00 0.00 N ATOM 11 CA ILE A 5 -12.433 -20.349 1.348 1.00 0.00 C ATOM 12 C ILE A 5 -11.397 -20.022 0.283 1.00 0.00 C ATOM 13 O ILE A 5 -10.640 -20.898 -0.130 1.00 0.00 O ATOM 14 CB ILE A 5 -11.863 -20.019 2.750 1.00 0.00 C ATOM 15 CG1 ILE A 5 -12.862 -20.423 3.836 1.00 0.00 C ATOM 16 CG2 ILE A 5 -11.521 -18.538 2.871 1.00 0.00 C ATOM 17 CD1 ILE A 5 -12.343 -20.235 5.245 1.00 0.00 C ATOM 0 H ILE A 5 -12.075 -22.397 1.583 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.328 -19.747 1.193 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.944 -20.589 2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.774 -19.838 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.134 -21.469 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.123 -18.337 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.775 -18.274 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.420 -17.943 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.107 -20.543 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.449 -20.842 5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.099 -19.185 5.406 1.00 0.00 H new ATOM 29 N ASP A 6 -11.382 -18.785 -0.187 1.00 0.00 N ATOM 30 CA ASP A 6 -10.387 -18.356 -1.142 1.00 0.00 C ATOM 31 C ASP A 6 -9.206 -17.730 -0.407 1.00 0.00 C ATOM 32 O ASP A 6 -9.291 -16.609 0.093 1.00 0.00 O ATOM 33 CB ASP A 6 -11.001 -17.385 -2.162 1.00 0.00 C ATOM 34 CG ASP A 6 -11.695 -16.188 -1.535 1.00 0.00 C ATOM 35 OD1 ASP A 6 -12.719 -16.382 -0.844 1.00 0.00 O ATOM 36 OD2 ASP A 6 -11.250 -15.042 -1.761 1.00 0.00 O ATOM 0 H ASP A 6 -12.051 -18.063 0.081 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.023 -19.220 -1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.215 -17.029 -2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.719 -17.927 -2.778 1.00 0.00 H new ATOM 41 N PRO A 7 -8.090 -18.473 -0.312 1.00 0.00 N ATOM 42 CA PRO A 7 -6.899 -18.029 0.418 1.00 0.00 C ATOM 43 C PRO A 7 -6.305 -16.781 -0.197 1.00 0.00 C ATOM 44 O PRO A 7 -5.717 -15.947 0.487 1.00 0.00 O ATOM 45 CB PRO A 7 -5.919 -19.199 0.279 1.00 0.00 C ATOM 46 CG PRO A 7 -6.414 -19.993 -0.882 1.00 0.00 C ATOM 47 CD PRO A 7 -7.902 -19.801 -0.919 1.00 0.00 C ATOM 0 HA PRO A 7 -7.128 -17.778 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.903 -18.843 0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.896 -19.802 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.955 -19.653 -1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.161 -21.047 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.286 -19.835 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.421 -20.577 -0.357 1.00 0.00 H new ATOM 55 N PHE A 8 -6.478 -16.666 -1.501 1.00 0.00 N ATOM 56 CA PHE A 8 -5.939 -15.561 -2.255 1.00 0.00 C ATOM 57 C PHE A 8 -6.826 -15.252 -3.441 1.00 0.00 C ATOM 58 O PHE A 8 -7.342 -16.154 -4.105 1.00 0.00 O ATOM 59 CB PHE A 8 -4.514 -15.872 -2.698 1.00 0.00 C ATOM 60 CG PHE A 8 -3.518 -15.644 -1.605 1.00 0.00 C ATOM 61 CD1 PHE A 8 -3.315 -14.370 -1.105 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.817 -16.701 -1.052 1.00 0.00 C ATOM 63 CE1 PHE A 8 -2.426 -14.151 -0.079 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.927 -16.488 -0.018 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.734 -15.210 0.467 1.00 0.00 C ATOM 0 H PHE A 8 -6.998 -17.340 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.910 -14.677 -1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.457 -16.909 -3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.258 -15.250 -3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.861 -13.538 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.967 -17.701 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.271 -13.151 0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.384 -17.318 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.039 -15.040 1.276 1.00 0.00 H new ATOM 75 N THR A 9 -7.000 -13.974 -3.689 1.00 0.00 N ATOM 76 CA THR A 9 -7.928 -13.510 -4.695 1.00 0.00 C ATOM 77 C THR A 9 -7.420 -12.209 -5.313 1.00 0.00 C ATOM 78 O THR A 9 -7.407 -12.047 -6.534 1.00 0.00 O ATOM 79 CB THR A 9 -9.332 -13.336 -4.071 1.00 0.00 C ATOM 80 OG1 THR A 9 -10.219 -12.665 -4.974 1.00 0.00 O ATOM 81 CG2 THR A 9 -9.260 -12.583 -2.750 1.00 0.00 C ATOM 0 H THR A 9 -6.504 -13.229 -3.201 1.00 0.00 H new ATOM 0 HA THR A 9 -8.005 -14.249 -5.493 1.00 0.00 H new ATOM 0 HB THR A 9 -9.726 -14.333 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.100 -12.569 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.263 -12.477 -2.337 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.635 -13.137 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.830 -11.595 -2.917 1.00 0.00 H new ATOM 89 N MET A 10 -6.975 -11.298 -4.460 1.00 0.00 N ATOM 90 CA MET A 10 -6.354 -10.066 -4.906 1.00 0.00 C ATOM 91 C MET A 10 -5.157 -9.762 -4.019 1.00 0.00 C ATOM 92 O MET A 10 -5.237 -8.954 -3.097 1.00 0.00 O ATOM 93 CB MET A 10 -7.357 -8.910 -4.872 1.00 0.00 C ATOM 94 CG MET A 10 -6.817 -7.617 -5.466 1.00 0.00 C ATOM 95 SD MET A 10 -6.402 -7.775 -7.217 1.00 0.00 S ATOM 96 CE MET A 10 -8.007 -8.162 -7.909 1.00 0.00 C ATOM 0 H MET A 10 -7.035 -11.394 -3.446 1.00 0.00 H new ATOM 0 HA MET A 10 -6.020 -10.185 -5.937 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.255 -9.203 -5.416 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.655 -8.729 -3.839 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.558 -6.828 -5.342 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.929 -7.310 -4.913 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.140 -7.620 -8.846 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.073 -9.234 -8.097 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.787 -7.868 -7.206 1.00 0.00 H new ATOM 106 N LEU A 11 -4.058 -10.453 -4.282 1.00 0.00 N ATOM 107 CA LEU A 11 -2.845 -10.278 -3.499 1.00 0.00 C ATOM 108 C LEU A 11 -2.146 -8.975 -3.878 1.00 0.00 C ATOM 109 O LEU A 11 -2.339 -8.452 -4.976 1.00 0.00 O ATOM 110 CB LEU A 11 -1.888 -11.498 -3.616 1.00 0.00 C ATOM 111 CG LEU A 11 -1.714 -12.178 -4.994 1.00 0.00 C ATOM 112 CD1 LEU A 11 -2.966 -12.939 -5.408 1.00 0.00 C ATOM 113 CD2 LEU A 11 -1.318 -11.176 -6.068 1.00 0.00 C ATOM 0 H LEU A 11 -3.982 -11.140 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.136 -10.216 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.902 -11.178 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.234 -12.257 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.902 -12.898 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.805 -13.403 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.183 -13.711 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.807 -12.249 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.205 -11.691 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.091 -10.413 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.373 -10.705 -5.796 1.00 0.00 H new ATOM 125 N PRO A 12 -1.341 -8.425 -2.963 1.00 0.00 N ATOM 126 CA PRO A 12 -0.716 -7.133 -3.134 1.00 0.00 C ATOM 127 C PRO A 12 0.683 -7.229 -3.724 1.00 0.00 C ATOM 128 O PRO A 12 1.335 -8.274 -3.670 1.00 0.00 O ATOM 129 CB PRO A 12 -0.652 -6.607 -1.702 1.00 0.00 C ATOM 130 CG PRO A 12 -0.639 -7.822 -0.822 1.00 0.00 C ATOM 131 CD PRO A 12 -0.959 -9.018 -1.682 1.00 0.00 C ATOM 0 HA PRO A 12 -1.265 -6.497 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.241 -6.002 -1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.510 -5.972 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.336 -7.941 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.371 -7.721 -0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.099 -9.679 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.768 -9.613 -1.258 1.00 0.00 H new ATOM 139 N ARG A 13 1.137 -6.126 -4.278 1.00 0.00 N ATOM 140 CA ARG A 13 2.465 -6.046 -4.846 1.00 0.00 C ATOM 141 C ARG A 13 3.112 -4.738 -4.431 1.00 0.00 C ATOM 142 O ARG A 13 2.423 -3.736 -4.225 1.00 0.00 O ATOM 143 CB ARG A 13 2.400 -6.147 -6.373 1.00 0.00 C ATOM 144 CG ARG A 13 1.480 -5.122 -7.013 1.00 0.00 C ATOM 145 CD ARG A 13 1.472 -5.239 -8.525 1.00 0.00 C ATOM 146 NE ARG A 13 0.556 -4.276 -9.133 1.00 0.00 N ATOM 147 CZ ARG A 13 0.619 -3.877 -10.402 1.00 0.00 C ATOM 148 NH1 ARG A 13 1.561 -4.348 -11.207 1.00 0.00 N ATOM 149 NH2 ARG A 13 -0.266 -3.008 -10.871 1.00 0.00 N ATOM 0 H ARG A 13 0.598 -5.263 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 13 3.064 -6.877 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.404 -6.025 -6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.064 -7.147 -6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.467 -5.255 -6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.798 -4.119 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.479 -5.077 -8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.181 -6.250 -8.811 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.180 -3.883 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.243 -5.020 -10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.604 -4.038 -12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.997 -2.644 -10.259 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.216 -2.704 -11.843 1.00 0.00 H new ATOM 163 N LEU A 14 4.426 -4.744 -4.314 1.00 0.00 N ATOM 164 CA LEU A 14 5.147 -3.553 -3.921 1.00 0.00 C ATOM 165 C LEU A 14 5.343 -2.681 -5.146 1.00 0.00 C ATOM 166 O LEU A 14 6.152 -2.983 -6.024 1.00 0.00 O ATOM 167 CB LEU A 14 6.490 -3.934 -3.293 1.00 0.00 C ATOM 168 CG LEU A 14 7.287 -2.779 -2.689 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.463 -2.045 -1.641 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.578 -3.297 -2.081 1.00 0.00 C ATOM 0 H LEU A 14 5.013 -5.560 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 14 4.580 -2.998 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.309 -4.674 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.103 -4.416 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 14 7.531 -2.074 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.050 -1.227 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.560 -1.645 -2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.188 -2.737 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.138 -2.465 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.347 -4.020 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.177 -3.778 -2.854 1.00 0.00 H new ATOM 182 N CYS A 15 4.594 -1.595 -5.196 1.00 0.00 N ATOM 183 CA CYS A 15 4.513 -0.783 -6.390 1.00 0.00 C ATOM 184 C CYS A 15 5.544 0.326 -6.335 1.00 0.00 C ATOM 185 O CYS A 15 5.463 1.229 -5.501 1.00 0.00 O ATOM 186 CB CYS A 15 3.106 -0.199 -6.520 1.00 0.00 C ATOM 187 SG CYS A 15 1.785 -1.423 -6.339 1.00 0.00 S ATOM 0 H CYS A 15 4.031 -1.255 -4.416 1.00 0.00 H new ATOM 0 HA CYS A 15 4.719 -1.403 -7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.974 0.577 -5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.011 0.282 -7.493 1.00 0.00 H new ATOM 0 HG CYS A 15 2.130 -2.305 -5.449 1.00 0.00 H new ATOM 193 N CYS A 16 6.532 0.231 -7.203 1.00 0.00 N ATOM 194 CA CYS A 16 7.591 1.213 -7.244 1.00 0.00 C ATOM 195 C CYS A 16 7.311 2.245 -8.327 1.00 0.00 C ATOM 196 O CYS A 16 7.356 1.946 -9.522 1.00 0.00 O ATOM 197 CB CYS A 16 8.927 0.522 -7.502 1.00 0.00 C ATOM 198 SG CYS A 16 9.281 -0.837 -6.360 1.00 0.00 S ATOM 0 H CYS A 16 6.621 -0.518 -7.889 1.00 0.00 H new ATOM 0 HA CYS A 16 7.638 1.725 -6.283 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.936 0.138 -8.522 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.726 1.260 -7.432 1.00 0.00 H new ATOM 0 HG CYS A 16 10.432 -1.364 -6.656 1.00 0.00 H new ATOM 204 N LEU A 17 7.016 3.458 -7.900 1.00 0.00 N ATOM 205 CA LEU A 17 6.796 4.550 -8.825 1.00 0.00 C ATOM 206 C LEU A 17 7.934 5.545 -8.707 1.00 0.00 C ATOM 207 O LEU A 17 8.582 5.640 -7.665 1.00 0.00 O ATOM 208 CB LEU A 17 5.436 5.233 -8.610 1.00 0.00 C ATOM 209 CG LEU A 17 5.046 5.546 -7.163 1.00 0.00 C ATOM 210 CD1 LEU A 17 4.022 6.662 -7.135 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.473 4.311 -6.481 1.00 0.00 C ATOM 0 H LEU A 17 6.923 3.711 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 17 6.775 4.141 -9.835 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.431 6.166 -9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.663 4.596 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 17 5.941 5.859 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.749 6.880 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.445 7.555 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.134 6.355 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.202 4.555 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.587 3.976 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.219 3.516 -6.480 1.00 0.00 H new ATOM 223 N GLU A 18 8.165 6.285 -9.770 1.00 0.00 N ATOM 224 CA GLU A 18 9.369 7.083 -9.889 1.00 0.00 C ATOM 225 C GLU A 18 9.014 8.552 -10.009 1.00 0.00 C ATOM 226 O GLU A 18 8.174 8.931 -10.820 1.00 0.00 O ATOM 227 CB GLU A 18 10.172 6.614 -11.103 1.00 0.00 C ATOM 228 CG GLU A 18 10.417 5.113 -11.102 1.00 0.00 C ATOM 229 CD GLU A 18 11.168 4.634 -12.321 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.717 4.913 -13.451 1.00 0.00 O ATOM 231 OE2 GLU A 18 12.207 3.967 -12.156 1.00 0.00 O ATOM 0 H GLU A 18 7.533 6.351 -10.568 1.00 0.00 H new ATOM 0 HA GLU A 18 9.979 6.957 -8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.640 6.890 -12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.130 7.134 -11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.979 4.843 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.460 4.595 -11.046 1.00 0.00 H new ATOM 238 N LYS A 19 9.664 9.365 -9.198 1.00 0.00 N ATOM 239 CA LYS A 19 9.333 10.772 -9.093 1.00 0.00 C ATOM 240 C LYS A 19 9.615 11.502 -10.398 1.00 0.00 C ATOM 241 O LYS A 19 10.719 11.429 -10.937 1.00 0.00 O ATOM 242 CB LYS A 19 10.134 11.431 -7.969 1.00 0.00 C ATOM 243 CG LYS A 19 9.590 12.791 -7.555 1.00 0.00 C ATOM 244 CD LYS A 19 10.695 13.734 -7.108 1.00 0.00 C ATOM 245 CE LYS A 19 11.539 14.186 -8.286 1.00 0.00 C ATOM 246 NZ LYS A 19 12.581 15.171 -7.887 1.00 0.00 N ATOM 0 H LYS A 19 10.433 9.070 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 19 8.268 10.840 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.139 10.771 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.170 11.545 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.050 13.235 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.873 12.663 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.258 14.603 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.328 13.235 -6.374 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.017 13.319 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.894 14.630 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.132 15.451 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.126 16.011 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.214 14.741 -7.183 1.00 0.00 H new ATOM 260 N GLY A 20 8.612 12.191 -10.899 1.00 0.00 N ATOM 261 CA GLY A 20 8.800 13.058 -12.038 1.00 0.00 C ATOM 262 C GLY A 20 8.745 14.510 -11.614 1.00 0.00 C ATOM 263 O GLY A 20 8.741 14.797 -10.416 1.00 0.00 O ATOM 0 H GLY A 20 7.660 12.166 -10.535 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.760 12.847 -12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.029 12.861 -12.783 1.00 0.00 H new ATOM 267 N PRO A 21 8.680 15.452 -12.561 1.00 0.00 N ATOM 268 CA PRO A 21 8.597 16.883 -12.244 1.00 0.00 C ATOM 269 C PRO A 21 7.304 17.236 -11.507 1.00 0.00 C ATOM 270 O PRO A 21 7.194 18.297 -10.891 1.00 0.00 O ATOM 271 CB PRO A 21 8.635 17.564 -13.615 1.00 0.00 C ATOM 272 CG PRO A 21 8.210 16.512 -14.580 1.00 0.00 C ATOM 273 CD PRO A 21 8.699 15.209 -14.010 1.00 0.00 C ATOM 0 HA PRO A 21 9.402 17.198 -11.581 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.965 18.423 -13.648 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.635 17.931 -13.846 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.126 16.505 -14.698 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.637 16.692 -15.567 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.050 14.378 -14.288 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.700 14.964 -14.365 1.00 0.00 H new ATOM 281 N ASN A 22 6.332 16.335 -11.568 1.00 0.00 N ATOM 282 CA ASN A 22 5.050 16.541 -10.903 1.00 0.00 C ATOM 283 C ASN A 22 5.034 15.818 -9.562 1.00 0.00 C ATOM 284 O ASN A 22 4.041 15.846 -8.836 1.00 0.00 O ATOM 285 CB ASN A 22 3.897 16.023 -11.770 1.00 0.00 C ATOM 286 CG ASN A 22 3.916 16.569 -13.185 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.396 17.652 -13.454 1.00 0.00 O ATOM 288 ND2 ASN A 22 4.501 15.814 -14.103 1.00 0.00 N ATOM 0 H ASN A 22 6.407 15.452 -12.073 1.00 0.00 H new ATOM 0 HA ASN A 22 4.920 17.611 -10.744 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.941 14.935 -11.808 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.950 16.288 -11.299 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.532 16.124 -15.074 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.920 14.923 -13.839 1.00 0.00 H new ATOM 295 N GLY A 23 6.143 15.170 -9.240 1.00 0.00 N ATOM 296 CA GLY A 23 6.203 14.345 -8.053 1.00 0.00 C ATOM 297 C GLY A 23 5.828 12.915 -8.370 1.00 0.00 C ATOM 298 O GLY A 23 6.473 12.274 -9.196 1.00 0.00 O ATOM 0 H GLY A 23 7.006 15.202 -9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.209 14.377 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.528 14.742 -7.295 1.00 0.00 H new ATOM 302 N TYR A 24 4.779 12.412 -7.738 1.00 0.00 N ATOM 303 CA TYR A 24 4.303 11.069 -8.030 1.00 0.00 C ATOM 304 C TYR A 24 2.870 11.107 -8.547 1.00 0.00 C ATOM 305 O TYR A 24 2.434 10.209 -9.257 1.00 0.00 O ATOM 306 CB TYR A 24 4.403 10.165 -6.802 1.00 0.00 C ATOM 307 CG TYR A 24 5.807 10.021 -6.260 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.712 9.152 -6.852 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.225 10.752 -5.155 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.994 9.013 -6.361 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.509 10.620 -4.657 1.00 0.00 C ATOM 312 CZ TYR A 24 8.390 9.748 -5.264 1.00 0.00 C ATOM 313 OH TYR A 24 9.671 9.612 -4.776 1.00 0.00 O ATOM 0 H TYR A 24 4.245 12.909 -7.025 1.00 0.00 H new ATOM 0 HA TYR A 24 4.943 10.652 -8.807 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.760 10.563 -6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.020 9.177 -7.058 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.408 8.574 -7.712 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.537 11.434 -4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.685 8.331 -6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.820 11.196 -3.798 1.00 0.00 H new ATOM 0 HH TYR A 24 9.790 10.200 -4.001 1.00 0.00 H new ATOM 323 N GLY A 25 2.145 12.159 -8.189 1.00 0.00 N ATOM 324 CA GLY A 25 0.821 12.373 -8.740 1.00 0.00 C ATOM 325 C GLY A 25 -0.266 11.591 -8.028 1.00 0.00 C ATOM 326 O GLY A 25 -1.260 11.209 -8.644 1.00 0.00 O ATOM 0 H GLY A 25 2.451 12.870 -7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.584 13.436 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.826 12.095 -9.794 1.00 0.00 H new ATOM 330 N PHE A 26 -0.099 11.355 -6.739 1.00 0.00 N ATOM 331 CA PHE A 26 -1.125 10.667 -5.970 1.00 0.00 C ATOM 332 C PHE A 26 -1.463 11.465 -4.720 1.00 0.00 C ATOM 333 O PHE A 26 -0.664 12.279 -4.253 1.00 0.00 O ATOM 334 CB PHE A 26 -0.685 9.239 -5.598 1.00 0.00 C ATOM 335 CG PHE A 26 0.310 9.165 -4.471 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.664 9.325 -4.707 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.117 8.929 -3.171 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.575 9.253 -3.669 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.788 8.855 -2.130 1.00 0.00 C ATOM 340 CZ PHE A 26 2.136 9.019 -2.379 1.00 0.00 C ATOM 0 H PHE A 26 0.727 11.625 -6.206 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.017 10.586 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.567 8.660 -5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.253 8.765 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.013 9.508 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.171 8.802 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.629 9.380 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.442 8.669 -1.124 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.846 8.965 -1.567 1.00 0.00 H new ATOM 350 N HIS A 27 -2.655 11.244 -4.196 1.00 0.00 N ATOM 351 CA HIS A 27 -3.109 11.929 -2.996 1.00 0.00 C ATOM 352 C HIS A 27 -3.559 10.903 -1.967 1.00 0.00 C ATOM 353 O HIS A 27 -4.125 9.871 -2.326 1.00 0.00 O ATOM 354 CB HIS A 27 -4.256 12.891 -3.320 1.00 0.00 C ATOM 355 CG HIS A 27 -3.912 13.918 -4.360 1.00 0.00 C ATOM 356 ND1 HIS A 27 -3.498 15.196 -4.056 1.00 0.00 N ATOM 357 CD2 HIS A 27 -3.938 13.847 -5.712 1.00 0.00 C ATOM 358 CE1 HIS A 27 -3.278 15.864 -5.176 1.00 0.00 C ATOM 359 NE2 HIS A 27 -3.539 15.066 -6.194 1.00 0.00 N ATOM 0 H HIS A 27 -3.333 10.589 -4.586 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.283 12.513 -2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.115 12.314 -3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.559 13.401 -2.406 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.221 12.988 -6.302 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.942 16.888 -5.246 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.457 15.316 -7.179 1.00 0.00 H new ATOM 368 N LEU A 28 -3.319 11.187 -0.699 1.00 0.00 N ATOM 369 CA LEU A 28 -3.582 10.225 0.363 1.00 0.00 C ATOM 370 C LEU A 28 -4.595 10.795 1.356 1.00 0.00 C ATOM 371 O LEU A 28 -4.571 11.990 1.638 1.00 0.00 O ATOM 372 CB LEU A 28 -2.266 9.906 1.077 1.00 0.00 C ATOM 373 CG LEU A 28 -2.284 8.684 1.989 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.392 7.410 1.168 1.00 0.00 C ATOM 375 CD2 LEU A 28 -1.038 8.661 2.856 1.00 0.00 C ATOM 0 H LEU A 28 -2.941 12.078 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.999 9.313 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.492 9.762 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.977 10.774 1.670 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.157 8.744 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.404 6.548 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.312 7.430 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.538 7.337 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.061 7.784 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.153 8.620 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.004 9.563 3.468 1.00 0.00 H new ATOM 387 N HIS A 29 -5.483 9.955 1.884 1.00 0.00 N ATOM 388 CA HIS A 29 -6.467 10.421 2.863 1.00 0.00 C ATOM 389 C HIS A 29 -6.663 9.412 3.990 1.00 0.00 C ATOM 390 O HIS A 29 -6.549 8.202 3.783 1.00 0.00 O ATOM 391 CB HIS A 29 -7.818 10.748 2.195 1.00 0.00 C ATOM 392 CG HIS A 29 -8.592 9.561 1.687 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.892 9.297 2.054 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.255 8.593 0.808 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.317 8.223 1.419 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.345 7.774 0.655 1.00 0.00 N ATOM 0 H HIS A 29 -5.543 8.963 1.656 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.070 11.339 3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.438 11.284 2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.637 11.426 1.361 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.441 9.847 2.715 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.300 8.483 0.315 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.300 7.785 1.511 1.00 0.00 H new ATOM 405 N GLY A 30 -6.943 9.929 5.179 1.00 0.00 N ATOM 406 CA GLY A 30 -7.228 9.089 6.326 1.00 0.00 C ATOM 407 C GLY A 30 -8.674 9.218 6.765 1.00 0.00 C ATOM 408 O GLY A 30 -9.077 10.252 7.297 1.00 0.00 O ATOM 0 H GLY A 30 -6.978 10.930 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.013 8.049 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.571 9.363 7.151 1.00 0.00 H new ATOM 412 N GLU A 31 -9.448 8.173 6.527 1.00 0.00 N ATOM 413 CA GLU A 31 -10.883 8.179 6.798 1.00 0.00 C ATOM 414 C GLU A 31 -11.182 8.173 8.291 1.00 0.00 C ATOM 415 O GLU A 31 -10.442 7.596 9.072 1.00 0.00 O ATOM 416 CB GLU A 31 -11.514 6.956 6.140 1.00 0.00 C ATOM 417 CG GLU A 31 -11.534 7.040 4.625 1.00 0.00 C ATOM 418 CD GLU A 31 -12.342 8.221 4.128 1.00 0.00 C ATOM 419 OE1 GLU A 31 -11.798 9.348 4.089 1.00 0.00 O ATOM 420 OE2 GLU A 31 -13.524 8.032 3.779 1.00 0.00 O ATOM 0 H GLU A 31 -9.103 7.294 6.140 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.305 9.096 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.964 6.064 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.534 6.840 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.512 7.119 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.951 6.119 4.217 1.00 0.00 H new ATOM 427 N LYS A 32 -12.272 8.823 8.683 1.00 0.00 N ATOM 428 CA LYS A 32 -12.692 8.826 10.077 1.00 0.00 C ATOM 429 C LYS A 32 -13.137 7.427 10.498 1.00 0.00 C ATOM 430 O LYS A 32 -14.094 6.881 9.947 1.00 0.00 O ATOM 431 CB LYS A 32 -13.829 9.830 10.300 1.00 0.00 C ATOM 432 CG LYS A 32 -14.296 9.895 11.747 1.00 0.00 C ATOM 433 CD LYS A 32 -15.324 10.997 11.983 1.00 0.00 C ATOM 434 CE LYS A 32 -16.671 10.697 11.331 1.00 0.00 C ATOM 435 NZ LYS A 32 -16.800 11.321 9.986 1.00 0.00 N ATOM 0 H LYS A 32 -12.878 9.353 8.057 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.842 9.127 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.497 10.820 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.673 9.561 9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.727 8.935 12.029 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.436 10.061 12.395 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.466 11.132 13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.938 11.938 11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.796 9.618 11.242 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.472 11.059 11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.379 10.711 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.255 12.252 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.856 11.437 9.565 1.00 0.00 H new ATOM 449 N GLY A 33 -12.424 6.845 11.455 1.00 0.00 N ATOM 450 CA GLY A 33 -12.758 5.515 11.925 1.00 0.00 C ATOM 451 C GLY A 33 -11.968 4.448 11.199 1.00 0.00 C ATOM 452 O GLY A 33 -12.537 3.486 10.682 1.00 0.00 O ATOM 0 H GLY A 33 -11.619 7.272 11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.562 5.448 12.995 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.824 5.337 11.785 1.00 0.00 H new ATOM 456 N LYS A 34 -10.654 4.627 11.150 1.00 0.00 N ATOM 457 CA LYS A 34 -9.782 3.712 10.429 1.00 0.00 C ATOM 458 C LYS A 34 -8.556 3.368 11.268 1.00 0.00 C ATOM 459 O LYS A 34 -8.477 3.719 12.449 1.00 0.00 O ATOM 460 CB LYS A 34 -9.345 4.345 9.094 1.00 0.00 C ATOM 461 CG LYS A 34 -8.087 5.221 9.155 1.00 0.00 C ATOM 462 CD LYS A 34 -8.168 6.317 10.206 1.00 0.00 C ATOM 463 CE LYS A 34 -6.903 7.157 10.230 1.00 0.00 C ATOM 464 NZ LYS A 34 -6.953 8.200 11.291 1.00 0.00 N ATOM 0 H LYS A 34 -10.168 5.401 11.603 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.333 2.794 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.175 3.546 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.168 4.949 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.223 4.590 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.921 5.675 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.027 6.956 10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.329 5.871 11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.041 6.511 10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.764 7.632 9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.072 8.753 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.761 8.832 11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.061 7.745 12.220 1.00 0.00 H new ATOM 478 N LEU A 35 -7.614 2.678 10.650 1.00 0.00 N ATOM 479 CA LEU A 35 -6.317 2.442 11.265 1.00 0.00 C ATOM 480 C LEU A 35 -5.191 2.818 10.311 1.00 0.00 C ATOM 481 O LEU A 35 -4.121 3.248 10.741 1.00 0.00 O ATOM 482 CB LEU A 35 -6.157 0.989 11.741 1.00 0.00 C ATOM 483 CG LEU A 35 -6.303 -0.100 10.672 1.00 0.00 C ATOM 484 CD1 LEU A 35 -5.577 -1.362 11.110 1.00 0.00 C ATOM 485 CD2 LEU A 35 -7.769 -0.415 10.416 1.00 0.00 C ATOM 0 H LEU A 35 -7.722 2.270 9.721 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.260 3.081 12.146 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.174 0.887 12.200 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.895 0.802 12.521 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.860 0.270 9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.687 -2.129 10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.519 -1.142 11.254 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.004 -1.721 12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.847 -1.190 9.654 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.232 -0.765 11.338 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.280 0.484 10.072 1.00 0.00 H new ATOM 497 N GLY A 36 -5.455 2.698 9.022 1.00 0.00 N ATOM 498 CA GLY A 36 -4.437 2.951 8.019 1.00 0.00 C ATOM 499 C GLY A 36 -4.799 4.083 7.079 1.00 0.00 C ATOM 500 O GLY A 36 -5.705 4.872 7.353 1.00 0.00 O ATOM 0 H GLY A 36 -6.364 2.428 8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.496 3.186 8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.273 2.043 7.439 1.00 0.00 H new ATOM 504 N GLN A 37 -4.094 4.153 5.960 1.00 0.00 N ATOM 505 CA GLN A 37 -4.278 5.226 4.992 1.00 0.00 C ATOM 506 C GLN A 37 -4.887 4.687 3.702 1.00 0.00 C ATOM 507 O GLN A 37 -4.761 3.502 3.390 1.00 0.00 O ATOM 508 CB GLN A 37 -2.938 5.905 4.679 1.00 0.00 C ATOM 509 CG GLN A 37 -2.517 7.007 5.651 1.00 0.00 C ATOM 510 CD GLN A 37 -2.373 6.546 7.091 1.00 0.00 C ATOM 511 OE1 GLN A 37 -1.335 6.032 7.487 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.394 6.784 7.897 1.00 0.00 N ATOM 0 H GLN A 37 -3.382 3.472 5.697 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.957 5.959 5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.159 5.143 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.991 6.329 3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.567 7.426 5.319 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.251 7.812 5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.243 7.214 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.332 6.538 8.885 1.00 0.00 H new ATOM 521 N TYR A 38 -5.554 5.558 2.957 1.00 0.00 N ATOM 522 CA TYR A 38 -6.158 5.176 1.688 1.00 0.00 C ATOM 523 C TYR A 38 -5.786 6.171 0.599 1.00 0.00 C ATOM 524 O TYR A 38 -5.535 7.347 0.879 1.00 0.00 O ATOM 525 CB TYR A 38 -7.681 5.122 1.816 1.00 0.00 C ATOM 526 CG TYR A 38 -8.171 4.200 2.899 1.00 0.00 C ATOM 527 CD1 TYR A 38 -8.265 2.834 2.679 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.536 4.695 4.143 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.712 1.986 3.668 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.982 3.853 5.139 1.00 0.00 C ATOM 531 CZ TYR A 38 -9.070 2.498 4.894 1.00 0.00 C ATOM 532 OH TYR A 38 -9.512 1.647 5.881 1.00 0.00 O ATOM 0 H TYR A 38 -5.691 6.536 3.211 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.781 4.189 1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.055 6.127 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.105 4.804 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.984 2.429 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.470 5.756 4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.781 0.924 3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.260 4.251 6.104 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.724 2.163 6.687 1.00 0.00 H new ATOM 542 N ILE A 39 -5.751 5.696 -0.638 1.00 0.00 N ATOM 543 CA ILE A 39 -5.506 6.563 -1.784 1.00 0.00 C ATOM 544 C ILE A 39 -6.734 7.429 -2.049 1.00 0.00 C ATOM 545 O ILE A 39 -7.841 6.913 -2.205 1.00 0.00 O ATOM 546 CB ILE A 39 -5.183 5.750 -3.056 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.975 4.833 -2.830 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.928 6.683 -4.232 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.666 5.575 -2.655 1.00 0.00 C ATOM 0 H ILE A 39 -5.889 4.714 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.645 7.187 -1.546 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.045 5.124 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.156 4.221 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.885 4.152 -3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.702 6.094 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.815 7.289 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.084 7.334 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.859 4.858 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.460 6.165 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.735 6.236 -1.791 1.00 0.00 H new ATOM 561 N ARG A 40 -6.536 8.743 -2.083 1.00 0.00 N ATOM 562 CA ARG A 40 -7.635 9.680 -2.298 1.00 0.00 C ATOM 563 C ARG A 40 -7.819 9.922 -3.787 1.00 0.00 C ATOM 564 O ARG A 40 -8.941 9.987 -4.285 1.00 0.00 O ATOM 565 CB ARG A 40 -7.353 11.010 -1.574 1.00 0.00 C ATOM 566 CG ARG A 40 -8.605 11.803 -1.200 1.00 0.00 C ATOM 567 CD ARG A 40 -9.287 12.437 -2.404 1.00 0.00 C ATOM 568 NE ARG A 40 -8.534 13.567 -2.944 1.00 0.00 N ATOM 569 CZ ARG A 40 -8.922 14.279 -4.003 1.00 0.00 C ATOM 570 NH1 ARG A 40 -10.039 13.967 -4.654 1.00 0.00 N ATOM 571 NH2 ARG A 40 -8.188 15.307 -4.411 1.00 0.00 N ATOM 0 H ARG A 40 -5.624 9.184 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.551 9.252 -1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.785 10.803 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.722 11.630 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.310 11.142 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.335 12.584 -0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.415 11.685 -3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.284 12.773 -2.118 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.661 13.826 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.606 13.178 -4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.328 14.517 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.330 15.550 -3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.482 15.854 -5.220 1.00 0.00 H new ATOM 585 N LEU A 41 -6.706 10.044 -4.492 1.00 0.00 N ATOM 586 CA LEU A 41 -6.734 10.337 -5.912 1.00 0.00 C ATOM 587 C LEU A 41 -5.408 9.993 -6.557 1.00 0.00 C ATOM 588 O LEU A 41 -4.361 10.052 -5.913 1.00 0.00 O ATOM 589 CB LEU A 41 -7.028 11.819 -6.149 1.00 0.00 C ATOM 590 CG LEU A 41 -7.145 12.219 -7.618 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.566 12.022 -8.121 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.681 13.649 -7.820 1.00 0.00 C ATOM 0 H LEU A 41 -5.770 9.944 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.522 9.731 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.957 12.077 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.238 12.411 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.495 11.570 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.624 12.314 -9.170 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.846 10.973 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.248 12.638 -7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.772 13.916 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.297 14.320 -7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.640 13.741 -7.511 1.00 0.00 H new ATOM 604 N VAL A 42 -5.468 9.626 -7.821 1.00 0.00 N ATOM 605 CA VAL A 42 -4.280 9.445 -8.628 1.00 0.00 C ATOM 606 C VAL A 42 -4.449 10.226 -9.920 1.00 0.00 C ATOM 607 O VAL A 42 -5.479 10.110 -10.582 1.00 0.00 O ATOM 608 CB VAL A 42 -4.020 7.959 -8.948 1.00 0.00 C ATOM 609 CG1 VAL A 42 -2.770 7.805 -9.800 1.00 0.00 C ATOM 610 CG2 VAL A 42 -3.895 7.145 -7.668 1.00 0.00 C ATOM 0 H VAL A 42 -6.341 9.445 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.421 9.810 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.872 7.580 -9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.604 6.749 -10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.898 8.350 -10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.911 8.205 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.712 6.100 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.065 7.527 -7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.819 7.224 -7.095 1.00 0.00 H new ATOM 620 N GLU A 43 -3.458 11.028 -10.268 1.00 0.00 N ATOM 621 CA GLU A 43 -3.555 11.890 -11.432 1.00 0.00 C ATOM 622 C GLU A 43 -3.347 11.069 -12.694 1.00 0.00 C ATOM 623 O GLU A 43 -2.273 10.505 -12.895 1.00 0.00 O ATOM 624 CB GLU A 43 -2.507 13.006 -11.360 1.00 0.00 C ATOM 625 CG GLU A 43 -2.540 13.808 -10.064 1.00 0.00 C ATOM 626 CD GLU A 43 -3.792 14.647 -9.899 1.00 0.00 C ATOM 627 OE1 GLU A 43 -4.633 14.672 -10.820 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.928 15.305 -8.839 1.00 0.00 O ATOM 0 H GLU A 43 -2.576 11.100 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.546 12.343 -11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.516 12.567 -11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.657 13.685 -12.199 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.459 13.122 -9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.668 14.461 -10.029 1.00 0.00 H new ATOM 635 N PRO A 44 -4.366 10.969 -13.553 1.00 0.00 N ATOM 636 CA PRO A 44 -4.263 10.215 -14.796 1.00 0.00 C ATOM 637 C PRO A 44 -3.189 10.792 -15.695 1.00 0.00 C ATOM 638 O PRO A 44 -3.293 11.926 -16.171 1.00 0.00 O ATOM 639 CB PRO A 44 -5.641 10.351 -15.438 1.00 0.00 C ATOM 640 CG PRO A 44 -6.538 10.780 -14.334 1.00 0.00 C ATOM 641 CD PRO A 44 -5.690 11.581 -13.392 1.00 0.00 C ATOM 0 HA PRO A 44 -3.984 9.175 -14.626 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.630 11.084 -16.245 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.970 9.406 -15.870 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.366 11.377 -14.715 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.973 9.918 -13.829 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.682 12.639 -13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.047 11.510 -12.365 1.00 0.00 H new ATOM 649 N GLY A 45 -2.158 10.011 -15.902 1.00 0.00 N ATOM 650 CA GLY A 45 -1.010 10.474 -16.641 1.00 0.00 C ATOM 651 C GLY A 45 0.133 10.862 -15.723 1.00 0.00 C ATOM 652 O GLY A 45 0.792 11.878 -15.944 1.00 0.00 O ATOM 0 H GLY A 45 -2.090 9.050 -15.568 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.678 9.692 -17.324 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.293 11.332 -17.252 1.00 0.00 H new ATOM 656 N SER A 46 0.355 10.070 -14.680 1.00 0.00 N ATOM 657 CA SER A 46 1.460 10.308 -13.764 1.00 0.00 C ATOM 658 C SER A 46 2.406 9.094 -13.763 1.00 0.00 C ATOM 659 O SER A 46 2.394 8.312 -14.714 1.00 0.00 O ATOM 660 CB SER A 46 0.890 10.590 -12.369 1.00 0.00 C ATOM 661 OG SER A 46 -0.002 9.571 -11.963 1.00 0.00 O ATOM 0 H SER A 46 -0.217 9.258 -14.449 1.00 0.00 H new ATOM 0 HA SER A 46 2.042 11.174 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.705 10.670 -11.650 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.372 11.549 -12.372 1.00 0.00 H new ATOM 0 HG SER A 46 -0.922 9.907 -12.002 1.00 0.00 H new ATOM 667 N PRO A 47 3.307 8.949 -12.775 1.00 0.00 N ATOM 668 CA PRO A 47 3.966 7.669 -12.533 1.00 0.00 C ATOM 669 C PRO A 47 3.204 6.783 -11.537 1.00 0.00 C ATOM 670 O PRO A 47 3.479 5.586 -11.424 1.00 0.00 O ATOM 671 CB PRO A 47 5.320 8.089 -11.969 1.00 0.00 C ATOM 672 CG PRO A 47 5.069 9.388 -11.273 1.00 0.00 C ATOM 673 CD PRO A 47 3.861 10.018 -11.921 1.00 0.00 C ATOM 0 HA PRO A 47 4.030 7.061 -13.435 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.708 7.341 -11.278 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.059 8.204 -12.762 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.894 9.227 -10.209 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.936 10.043 -11.358 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.137 10.348 -11.176 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.136 10.894 -12.508 1.00 0.00 H new ATOM 681 N ALA A 48 2.237 7.366 -10.830 1.00 0.00 N ATOM 682 CA ALA A 48 1.532 6.657 -9.765 1.00 0.00 C ATOM 683 C ALA A 48 0.552 5.620 -10.309 1.00 0.00 C ATOM 684 O ALA A 48 0.469 4.506 -9.788 1.00 0.00 O ATOM 685 CB ALA A 48 0.801 7.642 -8.866 1.00 0.00 C ATOM 0 H ALA A 48 1.925 8.326 -10.976 1.00 0.00 H new ATOM 0 HA ALA A 48 2.284 6.123 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.281 7.098 -8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.519 8.329 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.078 8.206 -9.456 1.00 0.00 H new ATOM 691 N GLU A 49 -0.175 5.971 -11.365 1.00 0.00 N ATOM 692 CA GLU A 49 -1.215 5.089 -11.888 1.00 0.00 C ATOM 693 C GLU A 49 -0.545 3.958 -12.622 1.00 0.00 C ATOM 694 O GLU A 49 -0.994 2.811 -12.618 1.00 0.00 O ATOM 695 CB GLU A 49 -2.188 5.827 -12.814 1.00 0.00 C ATOM 696 CG GLU A 49 -1.823 7.248 -13.068 1.00 0.00 C ATOM 697 CD GLU A 49 -0.783 7.318 -14.144 1.00 0.00 C ATOM 698 OE1 GLU A 49 0.371 6.965 -13.865 1.00 0.00 O ATOM 699 OE2 GLU A 49 -1.130 7.674 -15.286 1.00 0.00 O ATOM 0 H GLU A 49 -0.066 6.850 -11.871 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.808 4.710 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.238 5.300 -13.767 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.186 5.791 -12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.706 7.813 -13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.445 7.705 -12.154 1.00 0.00 H new ATOM 706 N LYS A 50 0.550 4.333 -13.245 1.00 0.00 N ATOM 707 CA LYS A 50 1.437 3.437 -13.934 1.00 0.00 C ATOM 708 C LYS A 50 1.950 2.346 -12.994 1.00 0.00 C ATOM 709 O LYS A 50 2.151 1.201 -13.402 1.00 0.00 O ATOM 710 CB LYS A 50 2.602 4.261 -14.461 1.00 0.00 C ATOM 711 CG LYS A 50 3.272 3.649 -15.653 1.00 0.00 C ATOM 712 CD LYS A 50 4.538 4.403 -16.027 1.00 0.00 C ATOM 713 CE LYS A 50 5.182 3.833 -17.279 1.00 0.00 C ATOM 714 NZ LYS A 50 5.586 2.415 -17.105 1.00 0.00 N ATOM 0 H LYS A 50 0.853 5.306 -13.284 1.00 0.00 H new ATOM 0 HA LYS A 50 0.909 2.944 -14.750 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.244 5.256 -14.726 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.337 4.388 -13.666 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.516 2.608 -15.440 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.584 3.649 -16.498 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.301 5.455 -16.186 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.247 4.357 -15.200 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.484 3.911 -18.112 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.057 4.429 -17.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.168 2.118 -17.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.136 2.316 -16.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.737 1.816 -17.051 1.00 0.00 H new ATOM 728 N ALA A 51 2.151 2.708 -11.731 1.00 0.00 N ATOM 729 CA ALA A 51 2.635 1.763 -10.730 1.00 0.00 C ATOM 730 C ALA A 51 1.509 0.861 -10.233 1.00 0.00 C ATOM 731 O ALA A 51 1.757 -0.189 -9.645 1.00 0.00 O ATOM 732 CB ALA A 51 3.275 2.506 -9.569 1.00 0.00 C ATOM 0 H ALA A 51 1.986 3.650 -11.376 1.00 0.00 H new ATOM 0 HA ALA A 51 3.388 1.130 -11.199 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.631 1.788 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.114 3.098 -9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.539 3.165 -9.109 1.00 0.00 H new ATOM 738 N GLY A 52 0.272 1.274 -10.477 1.00 0.00 N ATOM 739 CA GLY A 52 -0.863 0.465 -10.083 1.00 0.00 C ATOM 740 C GLY A 52 -1.677 1.103 -8.976 1.00 0.00 C ATOM 741 O GLY A 52 -2.616 0.495 -8.464 1.00 0.00 O ATOM 0 H GLY A 52 0.036 2.152 -10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.503 0.297 -10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.511 -0.512 -9.753 1.00 0.00 H new ATOM 745 N LEU A 53 -1.322 2.325 -8.602 1.00 0.00 N ATOM 746 CA LEU A 53 -2.050 3.035 -7.555 1.00 0.00 C ATOM 747 C LEU A 53 -3.365 3.576 -8.094 1.00 0.00 C ATOM 748 O LEU A 53 -3.400 4.210 -9.148 1.00 0.00 O ATOM 749 CB LEU A 53 -1.215 4.186 -6.976 1.00 0.00 C ATOM 750 CG LEU A 53 -0.133 3.789 -5.964 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.964 2.963 -6.619 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.450 5.033 -5.313 1.00 0.00 C ATOM 0 H LEU A 53 -0.541 2.843 -9.003 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.255 2.323 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.736 4.712 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.891 4.893 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.596 3.169 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.714 2.699 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.533 2.054 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.431 3.544 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.218 4.743 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.891 5.671 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.341 5.578 -4.798 1.00 0.00 H new ATOM 764 N LEU A 54 -4.444 3.312 -7.374 1.00 0.00 N ATOM 765 CA LEU A 54 -5.757 3.786 -7.766 1.00 0.00 C ATOM 766 C LEU A 54 -6.506 4.310 -6.549 1.00 0.00 C ATOM 767 O LEU A 54 -6.269 3.860 -5.426 1.00 0.00 O ATOM 768 CB LEU A 54 -6.540 2.659 -8.430 1.00 0.00 C ATOM 769 CG LEU A 54 -7.822 3.095 -9.135 1.00 0.00 C ATOM 770 CD1 LEU A 54 -7.520 4.142 -10.198 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.502 1.899 -9.759 1.00 0.00 C ATOM 0 H LEU A 54 -4.433 2.769 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.644 4.600 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.893 2.166 -9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.793 1.917 -7.673 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.490 3.538 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.446 4.440 -10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.061 5.013 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.836 3.724 -10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.416 2.220 -10.260 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.833 1.438 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.749 1.175 -8.983 1.00 0.00 H new ATOM 783 N ALA A 55 -7.393 5.274 -6.774 1.00 0.00 N ATOM 784 CA ALA A 55 -8.143 5.895 -5.692 1.00 0.00 C ATOM 785 C ALA A 55 -9.117 4.908 -5.060 1.00 0.00 C ATOM 786 O ALA A 55 -10.243 4.731 -5.529 1.00 0.00 O ATOM 787 CB ALA A 55 -8.881 7.128 -6.193 1.00 0.00 C ATOM 0 H ALA A 55 -7.609 5.642 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.433 6.203 -4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.436 7.579 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.162 7.848 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.574 6.841 -6.984 1.00 0.00 H new ATOM 793 N GLY A 56 -8.672 4.270 -3.991 1.00 0.00 N ATOM 794 CA GLY A 56 -9.481 3.285 -3.310 1.00 0.00 C ATOM 795 C GLY A 56 -8.622 2.235 -2.645 1.00 0.00 C ATOM 796 O GLY A 56 -9.032 1.616 -1.664 1.00 0.00 O ATOM 0 H GLY A 56 -7.751 4.420 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.103 3.776 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.155 2.809 -4.022 1.00 0.00 H new ATOM 800 N ASP A 57 -7.420 2.052 -3.179 1.00 0.00 N ATOM 801 CA ASP A 57 -6.462 1.091 -2.637 1.00 0.00 C ATOM 802 C ASP A 57 -6.065 1.452 -1.213 1.00 0.00 C ATOM 803 O ASP A 57 -5.898 2.629 -0.875 1.00 0.00 O ATOM 804 CB ASP A 57 -5.218 1.022 -3.523 1.00 0.00 C ATOM 805 CG ASP A 57 -5.461 0.237 -4.797 1.00 0.00 C ATOM 806 OD1 ASP A 57 -6.082 0.785 -5.732 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.029 -0.930 -4.871 1.00 0.00 O ATOM 0 H ASP A 57 -7.082 2.562 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.944 0.113 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.899 2.033 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.403 0.561 -2.965 1.00 0.00 H new ATOM 812 N ARG A 58 -5.928 0.432 -0.381 1.00 0.00 N ATOM 813 CA ARG A 58 -5.527 0.616 1.001 1.00 0.00 C ATOM 814 C ARG A 58 -4.011 0.582 1.109 1.00 0.00 C ATOM 815 O ARG A 58 -3.365 -0.355 0.636 1.00 0.00 O ATOM 816 CB ARG A 58 -6.158 -0.467 1.887 1.00 0.00 C ATOM 817 CG ARG A 58 -5.652 -0.463 3.322 1.00 0.00 C ATOM 818 CD ARG A 58 -6.422 -1.445 4.196 1.00 0.00 C ATOM 819 NE ARG A 58 -7.775 -0.972 4.494 1.00 0.00 N ATOM 820 CZ ARG A 58 -8.715 -1.713 5.088 1.00 0.00 C ATOM 821 NH1 ARG A 58 -8.485 -2.985 5.387 1.00 0.00 N ATOM 822 NH2 ARG A 58 -9.894 -1.175 5.382 1.00 0.00 N ATOM 0 H ARG A 58 -6.091 -0.540 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.879 1.588 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.240 -0.332 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.961 -1.444 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.592 -0.719 3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.743 0.541 3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.478 -2.410 3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.880 -1.602 5.128 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.015 -0.016 4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.583 -3.406 5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.210 -3.541 5.840 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.080 -0.198 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.613 -1.739 5.835 1.00 0.00 H new ATOM 836 N LEU A 59 -3.453 1.614 1.717 1.00 0.00 N ATOM 837 CA LEU A 59 -2.015 1.734 1.864 1.00 0.00 C ATOM 838 C LEU A 59 -1.537 0.882 3.035 1.00 0.00 C ATOM 839 O LEU A 59 -1.929 1.111 4.179 1.00 0.00 O ATOM 840 CB LEU A 59 -1.647 3.203 2.072 1.00 0.00 C ATOM 841 CG LEU A 59 -0.154 3.509 2.121 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.517 3.135 0.807 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.063 4.979 2.429 1.00 0.00 C ATOM 0 H LEU A 59 -3.981 2.388 2.120 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.523 1.374 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.093 3.788 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.100 3.544 3.003 1.00 0.00 H new ATOM 0 HG LEU A 59 0.298 2.912 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.582 3.362 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.383 2.070 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.068 3.705 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.132 5.190 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.403 5.586 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.384 5.219 3.394 1.00 0.00 H new ATOM 855 N VAL A 60 -0.704 -0.106 2.739 1.00 0.00 N ATOM 856 CA VAL A 60 -0.245 -1.048 3.750 1.00 0.00 C ATOM 857 C VAL A 60 1.174 -0.726 4.210 1.00 0.00 C ATOM 858 O VAL A 60 1.500 -0.854 5.394 1.00 0.00 O ATOM 859 CB VAL A 60 -0.292 -2.498 3.223 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.136 -3.486 4.299 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.686 -2.835 2.715 1.00 0.00 C ATOM 0 H VAL A 60 -0.332 -0.276 1.805 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.921 -0.954 4.600 1.00 0.00 H new ATOM 0 HB VAL A 60 0.410 -2.578 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.093 -4.499 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.155 -3.262 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.534 -3.405 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.701 -3.861 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.405 -2.730 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.952 -2.155 1.905 1.00 0.00 H new ATOM 871 N GLU A 61 2.019 -0.302 3.281 1.00 0.00 N ATOM 872 CA GLU A 61 3.406 -0.009 3.606 1.00 0.00 C ATOM 873 C GLU A 61 3.927 1.144 2.751 1.00 0.00 C ATOM 874 O GLU A 61 3.476 1.339 1.618 1.00 0.00 O ATOM 875 CB GLU A 61 4.237 -1.289 3.409 1.00 0.00 C ATOM 876 CG GLU A 61 5.735 -1.142 3.615 1.00 0.00 C ATOM 877 CD GLU A 61 6.511 -1.045 2.317 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.679 0.079 1.803 1.00 0.00 O ATOM 879 OE2 GLU A 61 6.979 -2.089 1.830 1.00 0.00 O ATOM 0 H GLU A 61 1.770 -0.154 2.303 1.00 0.00 H new ATOM 0 HA GLU A 61 3.489 0.308 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.867 -2.049 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.063 -1.661 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.927 -0.251 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.102 -1.994 4.187 1.00 0.00 H new ATOM 886 N VAL A 62 4.864 1.905 3.309 1.00 0.00 N ATOM 887 CA VAL A 62 5.474 3.032 2.613 1.00 0.00 C ATOM 888 C VAL A 62 6.977 3.052 2.841 1.00 0.00 C ATOM 889 O VAL A 62 7.435 3.183 3.979 1.00 0.00 O ATOM 890 CB VAL A 62 4.891 4.384 3.077 1.00 0.00 C ATOM 891 CG1 VAL A 62 5.589 5.546 2.385 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.397 4.441 2.828 1.00 0.00 C ATOM 0 H VAL A 62 5.220 1.758 4.253 1.00 0.00 H new ATOM 0 HA VAL A 62 5.254 2.899 1.554 1.00 0.00 H new ATOM 0 HB VAL A 62 5.065 4.471 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.159 6.486 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.653 5.525 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.456 5.460 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.009 5.403 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.201 4.322 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.905 3.639 3.379 1.00 0.00 H new ATOM 902 N ASN A 63 7.731 2.911 1.757 1.00 0.00 N ATOM 903 CA ASN A 63 9.188 3.000 1.796 1.00 0.00 C ATOM 904 C ASN A 63 9.757 1.920 2.716 1.00 0.00 C ATOM 905 O ASN A 63 10.716 2.145 3.450 1.00 0.00 O ATOM 906 CB ASN A 63 9.626 4.404 2.255 1.00 0.00 C ATOM 907 CG ASN A 63 11.086 4.710 1.952 1.00 0.00 C ATOM 908 OD1 ASN A 63 11.973 4.481 2.775 1.00 0.00 O ATOM 909 ND2 ASN A 63 11.344 5.249 0.770 1.00 0.00 N ATOM 0 H ASN A 63 7.352 2.732 0.827 1.00 0.00 H new ATOM 0 HA ASN A 63 9.580 2.835 0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.997 5.150 1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.458 4.496 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.303 5.488 0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.584 5.425 0.113 1.00 0.00 H new ATOM 916 N GLY A 64 9.139 0.745 2.687 1.00 0.00 N ATOM 917 CA GLY A 64 9.621 -0.370 3.478 1.00 0.00 C ATOM 918 C GLY A 64 9.183 -0.292 4.927 1.00 0.00 C ATOM 919 O GLY A 64 9.740 -0.977 5.788 1.00 0.00 O ATOM 0 H GLY A 64 8.310 0.545 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.259 -1.302 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.710 -0.398 3.433 1.00 0.00 H new ATOM 923 N GLU A 65 8.190 0.539 5.210 1.00 0.00 N ATOM 924 CA GLU A 65 7.717 0.705 6.575 1.00 0.00 C ATOM 925 C GLU A 65 6.218 0.450 6.667 1.00 0.00 C ATOM 926 O GLU A 65 5.446 0.930 5.839 1.00 0.00 O ATOM 927 CB GLU A 65 8.048 2.100 7.097 1.00 0.00 C ATOM 928 CG GLU A 65 7.808 2.245 8.589 1.00 0.00 C ATOM 929 CD GLU A 65 8.612 1.245 9.398 1.00 0.00 C ATOM 930 OE1 GLU A 65 8.209 0.064 9.463 1.00 0.00 O ATOM 931 OE2 GLU A 65 9.651 1.636 9.968 1.00 0.00 O ATOM 0 H GLU A 65 7.700 1.105 4.517 1.00 0.00 H new ATOM 0 HA GLU A 65 8.229 -0.029 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.092 2.326 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.444 2.835 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.069 3.256 8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.747 2.111 8.799 1.00 0.00 H new ATOM 938 N ASN A 66 5.820 -0.304 7.683 1.00 0.00 N ATOM 939 CA ASN A 66 4.426 -0.696 7.869 1.00 0.00 C ATOM 940 C ASN A 66 3.564 0.493 8.269 1.00 0.00 C ATOM 941 O ASN A 66 3.720 1.036 9.360 1.00 0.00 O ATOM 942 CB ASN A 66 4.330 -1.773 8.949 1.00 0.00 C ATOM 943 CG ASN A 66 2.937 -2.356 9.075 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.104 -1.869 9.844 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.684 -3.413 8.324 1.00 0.00 N ATOM 0 H ASN A 66 6.451 -0.661 8.400 1.00 0.00 H new ATOM 0 HA ASN A 66 4.059 -1.085 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.034 -2.573 8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.629 -1.348 9.907 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.769 -3.861 8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.404 -3.781 7.702 1.00 0.00 H new ATOM 952 N VAL A 67 2.640 0.882 7.397 1.00 0.00 N ATOM 953 CA VAL A 67 1.766 2.015 7.688 1.00 0.00 C ATOM 954 C VAL A 67 0.319 1.564 7.888 1.00 0.00 C ATOM 955 O VAL A 67 -0.620 2.333 7.687 1.00 0.00 O ATOM 956 CB VAL A 67 1.831 3.092 6.582 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.249 3.624 6.436 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.328 2.553 5.254 1.00 0.00 C ATOM 0 H VAL A 67 2.477 0.437 6.494 1.00 0.00 H new ATOM 0 HA VAL A 67 2.128 2.457 8.616 1.00 0.00 H new ATOM 0 HB VAL A 67 1.178 3.913 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.275 4.381 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.571 4.066 7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.919 2.806 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.387 3.336 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.943 1.706 4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.293 2.230 5.361 1.00 0.00 H new ATOM 968 N GLU A 68 0.148 0.312 8.315 1.00 0.00 N ATOM 969 CA GLU A 68 -1.182 -0.251 8.562 1.00 0.00 C ATOM 970 C GLU A 68 -1.919 0.520 9.646 1.00 0.00 C ATOM 971 O GLU A 68 -3.146 0.511 9.698 1.00 0.00 O ATOM 972 CB GLU A 68 -1.079 -1.700 9.029 1.00 0.00 C ATOM 973 CG GLU A 68 -0.616 -2.693 7.982 1.00 0.00 C ATOM 974 CD GLU A 68 -0.337 -4.051 8.597 1.00 0.00 C ATOM 975 OE1 GLU A 68 -0.819 -4.311 9.724 1.00 0.00 O ATOM 976 OE2 GLU A 68 0.389 -4.854 7.976 1.00 0.00 O ATOM 0 H GLU A 68 0.916 -0.334 8.498 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.726 -0.186 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.392 -1.743 9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.056 -2.015 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.378 -2.791 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.285 -2.319 7.496 1.00 0.00 H new ATOM 983 N LYS A 69 -1.167 1.163 10.522 1.00 0.00 N ATOM 984 CA LYS A 69 -1.740 1.757 11.713 1.00 0.00 C ATOM 985 C LYS A 69 -1.081 3.090 12.046 1.00 0.00 C ATOM 986 O LYS A 69 -0.924 3.447 13.216 1.00 0.00 O ATOM 987 CB LYS A 69 -1.606 0.771 12.872 1.00 0.00 C ATOM 988 CG LYS A 69 -0.200 0.214 13.045 1.00 0.00 C ATOM 989 CD LYS A 69 -0.209 -1.057 13.879 1.00 0.00 C ATOM 990 CE LYS A 69 -0.872 -2.211 13.135 1.00 0.00 C ATOM 991 NZ LYS A 69 -0.027 -2.723 12.020 1.00 0.00 N ATOM 0 H LYS A 69 -0.159 1.286 10.429 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.795 1.965 11.534 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.907 1.267 13.795 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.298 -0.056 12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.234 0.007 12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.433 0.961 13.523 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.814 -1.330 14.138 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.737 -0.875 14.815 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.077 -3.021 13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.832 -1.881 12.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.634 -3.159 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.504 -1.935 11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.639 -3.432 12.387 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.710 3.830 11.014 1.00 0.00 N ATOM 1006 CA GLU A 70 -0.049 5.111 11.203 1.00 0.00 C ATOM 1007 C GLU A 70 -0.959 6.262 10.790 1.00 0.00 C ATOM 1008 O GLU A 70 -2.166 6.080 10.600 1.00 0.00 O ATOM 1009 CB GLU A 70 1.261 5.161 10.421 1.00 0.00 C ATOM 1010 CG GLU A 70 2.237 4.066 10.813 1.00 0.00 C ATOM 1011 CD GLU A 70 3.674 4.450 10.553 1.00 0.00 C ATOM 1012 OE1 GLU A 70 4.060 4.582 9.378 1.00 0.00 O ATOM 1013 OE2 GLU A 70 4.426 4.629 11.537 1.00 0.00 O ATOM 0 H GLU A 70 -0.855 3.567 10.039 1.00 0.00 H new ATOM 0 HA GLU A 70 0.176 5.219 12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.044 5.080 9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.732 6.131 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.112 3.834 11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.001 3.158 10.258 1.00 0.00 H new ATOM 1020 N THR A 71 -0.383 7.450 10.679 1.00 0.00 N ATOM 1021 CA THR A 71 -1.148 8.631 10.324 1.00 0.00 C ATOM 1022 C THR A 71 -0.738 9.162 8.959 1.00 0.00 C ATOM 1023 O THR A 71 0.294 8.762 8.412 1.00 0.00 O ATOM 1024 CB THR A 71 -0.963 9.762 11.354 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.387 10.247 11.303 1.00 0.00 O ATOM 1026 CG2 THR A 71 -1.285 9.282 12.761 1.00 0.00 C ATOM 0 H THR A 71 0.611 7.619 10.830 1.00 0.00 H new ATOM 0 HA THR A 71 -2.194 8.324 10.306 1.00 0.00 H new ATOM 0 HB THR A 71 -1.653 10.568 11.104 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.501 10.967 11.958 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.145 10.102 13.466 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.319 8.941 12.801 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.621 8.459 13.026 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.534 10.075 8.423 1.00 0.00 N ATOM 1035 CA HIS A 72 -1.216 10.733 7.169 1.00 0.00 C ATOM 1036 C HIS A 72 0.151 11.413 7.271 1.00 0.00 C ATOM 1037 O HIS A 72 0.982 11.290 6.374 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.317 11.754 6.835 1.00 0.00 C ATOM 1039 CG HIS A 72 -2.086 12.552 5.586 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.791 12.349 4.421 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.236 13.578 5.334 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.384 13.211 3.507 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.443 13.969 4.036 1.00 0.00 N ATOM 0 H HIS A 72 -2.413 10.378 8.843 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.169 9.997 6.367 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.265 11.225 6.739 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.419 12.442 7.674 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.528 14.007 6.027 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.759 13.283 2.497 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.950 14.723 3.558 1.00 0.00 H new ATOM 1052 N GLN A 73 0.380 12.099 8.387 1.00 0.00 N ATOM 1053 CA GLN A 73 1.614 12.848 8.605 1.00 0.00 C ATOM 1054 C GLN A 73 2.836 11.928 8.621 1.00 0.00 C ATOM 1055 O GLN A 73 3.855 12.223 7.987 1.00 0.00 O ATOM 1056 CB GLN A 73 1.531 13.620 9.921 1.00 0.00 C ATOM 1057 CG GLN A 73 2.742 14.491 10.200 1.00 0.00 C ATOM 1058 CD GLN A 73 2.636 15.227 11.518 1.00 0.00 C ATOM 1059 OE1 GLN A 73 1.540 15.562 11.973 1.00 0.00 O ATOM 1060 NE2 GLN A 73 3.771 15.480 12.143 1.00 0.00 N ATOM 0 H GLN A 73 -0.281 12.152 9.162 1.00 0.00 H new ATOM 0 HA GLN A 73 1.730 13.547 7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.640 14.247 9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.409 12.911 10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.638 13.871 10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.859 15.214 9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.657 15.185 11.731 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.762 15.970 13.037 1.00 0.00 H new ATOM 1069 N GLN A 74 2.729 10.818 9.344 1.00 0.00 N ATOM 1070 CA GLN A 74 3.830 9.864 9.440 1.00 0.00 C ATOM 1071 C GLN A 74 4.171 9.302 8.069 1.00 0.00 C ATOM 1072 O GLN A 74 5.336 9.178 7.711 1.00 0.00 O ATOM 1073 CB GLN A 74 3.478 8.719 10.387 1.00 0.00 C ATOM 1074 CG GLN A 74 3.351 9.143 11.839 1.00 0.00 C ATOM 1075 CD GLN A 74 2.924 7.998 12.731 1.00 0.00 C ATOM 1076 OE1 GLN A 74 1.734 7.769 12.938 1.00 0.00 O ATOM 1077 NE2 GLN A 74 3.889 7.275 13.268 1.00 0.00 N ATOM 0 H GLN A 74 1.895 10.557 9.870 1.00 0.00 H new ATOM 0 HA GLN A 74 4.696 10.395 9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.538 8.270 10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.243 7.947 10.309 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.307 9.536 12.186 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.626 9.953 11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.864 7.499 13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.659 6.492 13.881 1.00 0.00 H new ATOM 1086 N VAL A 75 3.147 8.983 7.299 1.00 0.00 N ATOM 1087 CA VAL A 75 3.346 8.443 5.961 1.00 0.00 C ATOM 1088 C VAL A 75 4.011 9.466 5.036 1.00 0.00 C ATOM 1089 O VAL A 75 4.906 9.119 4.266 1.00 0.00 O ATOM 1090 CB VAL A 75 2.018 7.963 5.351 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.207 7.538 3.904 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.457 6.816 6.172 1.00 0.00 C ATOM 0 H VAL A 75 2.170 9.087 7.574 1.00 0.00 H new ATOM 0 HA VAL A 75 4.013 7.586 6.058 1.00 0.00 H new ATOM 0 HB VAL A 75 1.310 8.791 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.254 7.203 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.574 8.383 3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.929 6.723 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.517 6.481 5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.169 5.991 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.282 7.152 7.194 1.00 0.00 H new ATOM 1102 N VAL A 76 3.591 10.727 5.130 1.00 0.00 N ATOM 1103 CA VAL A 76 4.147 11.786 4.284 1.00 0.00 C ATOM 1104 C VAL A 76 5.659 11.907 4.463 1.00 0.00 C ATOM 1105 O VAL A 76 6.400 12.015 3.485 1.00 0.00 O ATOM 1106 CB VAL A 76 3.484 13.157 4.559 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.204 14.275 3.818 1.00 0.00 C ATOM 1108 CG2 VAL A 76 2.020 13.125 4.154 1.00 0.00 C ATOM 0 H VAL A 76 2.871 11.041 5.780 1.00 0.00 H new ATOM 0 HA VAL A 76 3.932 11.500 3.254 1.00 0.00 H new ATOM 0 HB VAL A 76 3.555 13.355 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.716 15.226 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.242 14.319 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.170 14.082 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.566 14.096 4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.942 12.899 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.501 12.357 4.727 1.00 0.00 H new ATOM 1118 N SER A 77 6.119 11.868 5.708 1.00 0.00 N ATOM 1119 CA SER A 77 7.544 11.968 5.985 1.00 0.00 C ATOM 1120 C SER A 77 8.292 10.770 5.392 1.00 0.00 C ATOM 1121 O SER A 77 9.412 10.913 4.897 1.00 0.00 O ATOM 1122 CB SER A 77 7.804 12.099 7.490 1.00 0.00 C ATOM 1123 OG SER A 77 7.137 11.089 8.222 1.00 0.00 O ATOM 0 H SER A 77 5.530 11.769 6.535 1.00 0.00 H new ATOM 0 HA SER A 77 7.923 12.872 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.875 12.041 7.681 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.471 13.078 7.834 1.00 0.00 H new ATOM 0 HG SER A 77 6.689 10.477 7.601 1.00 0.00 H new ATOM 1129 N ARG A 78 7.663 9.597 5.433 1.00 0.00 N ATOM 1130 CA ARG A 78 8.243 8.390 4.842 1.00 0.00 C ATOM 1131 C ARG A 78 8.362 8.533 3.328 1.00 0.00 C ATOM 1132 O ARG A 78 9.331 8.074 2.727 1.00 0.00 O ATOM 1133 CB ARG A 78 7.407 7.156 5.178 1.00 0.00 C ATOM 1134 CG ARG A 78 7.131 6.997 6.658 1.00 0.00 C ATOM 1135 CD ARG A 78 6.700 5.582 7.005 1.00 0.00 C ATOM 1136 NE ARG A 78 6.350 5.439 8.421 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.193 5.637 9.438 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.457 5.971 9.214 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.770 5.480 10.684 1.00 0.00 N ATOM 0 H ARG A 78 6.752 9.455 5.869 1.00 0.00 H new ATOM 0 HA ARG A 78 9.239 8.263 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.459 7.213 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.924 6.267 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.027 7.253 7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.353 7.698 6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.843 5.305 6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.505 4.889 6.760 1.00 0.00 H new ATOM 0 HE ARG A 78 5.393 5.169 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.794 6.079 8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.092 6.120 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.803 5.209 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.411 5.630 11.463 1.00 0.00 H new ATOM 1153 N ILE A 79 7.370 9.171 2.719 1.00 0.00 N ATOM 1154 CA ILE A 79 7.394 9.443 1.285 1.00 0.00 C ATOM 1155 C ILE A 79 8.561 10.369 0.941 1.00 0.00 C ATOM 1156 O ILE A 79 9.160 10.271 -0.130 1.00 0.00 O ATOM 1157 CB ILE A 79 6.066 10.081 0.813 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.889 9.159 1.149 1.00 0.00 C ATOM 1159 CG2 ILE A 79 6.104 10.368 -0.684 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.531 9.769 0.869 1.00 0.00 C ATOM 0 H ILE A 79 6.536 9.511 3.197 1.00 0.00 H new ATOM 0 HA ILE A 79 7.522 8.492 0.768 1.00 0.00 H new ATOM 0 HB ILE A 79 5.934 11.027 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.987 8.237 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.943 8.886 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.160 10.816 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.921 11.056 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.259 9.437 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.750 9.055 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.410 10.675 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.454 10.016 -0.190 1.00 0.00 H new ATOM 1172 N ARG A 80 8.887 11.259 1.869 1.00 0.00 N ATOM 1173 CA ARG A 80 9.989 12.196 1.689 1.00 0.00 C ATOM 1174 C ARG A 80 11.332 11.473 1.742 1.00 0.00 C ATOM 1175 O ARG A 80 12.338 11.977 1.247 1.00 0.00 O ATOM 1176 CB ARG A 80 9.942 13.289 2.759 1.00 0.00 C ATOM 1177 CG ARG A 80 8.658 14.102 2.745 1.00 0.00 C ATOM 1178 CD ARG A 80 8.431 14.738 1.388 1.00 0.00 C ATOM 1179 NE ARG A 80 7.230 15.570 1.355 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.547 15.828 0.241 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.887 15.241 -0.900 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.517 16.664 0.270 1.00 0.00 N ATOM 0 H ARG A 80 8.400 11.352 2.760 1.00 0.00 H new ATOM 0 HA ARG A 80 9.882 12.657 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.060 12.830 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.789 13.961 2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.814 13.459 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.706 14.877 3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.297 15.345 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.349 13.956 0.633 1.00 0.00 H new ATOM 0 HE ARG A 80 6.898 15.974 2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.673 14.591 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.363 15.440 -1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.247 17.110 1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.995 16.860 -0.584 1.00 0.00 H new ATOM 1196 N ALA A 81 11.340 10.287 2.349 1.00 0.00 N ATOM 1197 CA ALA A 81 12.555 9.484 2.456 1.00 0.00 C ATOM 1198 C ALA A 81 12.899 8.824 1.123 1.00 0.00 C ATOM 1199 O ALA A 81 13.950 8.199 0.978 1.00 0.00 O ATOM 1200 CB ALA A 81 12.401 8.433 3.545 1.00 0.00 C ATOM 0 H ALA A 81 10.517 9.861 2.775 1.00 0.00 H new ATOM 0 HA ALA A 81 13.376 10.149 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.315 7.843 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.214 8.924 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.563 7.779 3.303 1.00 0.00 H new ATOM 1206 N ALA A 82 12.000 8.963 0.159 1.00 0.00 N ATOM 1207 CA ALA A 82 12.226 8.464 -1.186 1.00 0.00 C ATOM 1208 C ALA A 82 12.889 9.542 -2.028 1.00 0.00 C ATOM 1209 O ALA A 82 12.378 10.656 -2.141 1.00 0.00 O ATOM 1210 CB ALA A 82 10.909 8.044 -1.808 1.00 0.00 C ATOM 0 H ALA A 82 11.099 9.423 0.288 1.00 0.00 H new ATOM 0 HA ALA A 82 12.884 7.596 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.086 7.671 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.456 7.258 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.237 8.901 -1.851 1.00 0.00 H new ATOM 1216 N LEU A 83 14.024 9.202 -2.621 1.00 0.00 N ATOM 1217 CA LEU A 83 14.815 10.171 -3.366 1.00 0.00 C ATOM 1218 C LEU A 83 14.181 10.474 -4.721 1.00 0.00 C ATOM 1219 O LEU A 83 13.573 11.526 -4.904 1.00 0.00 O ATOM 1220 CB LEU A 83 16.250 9.664 -3.545 1.00 0.00 C ATOM 1221 CG LEU A 83 17.006 9.386 -2.242 1.00 0.00 C ATOM 1222 CD1 LEU A 83 18.410 8.880 -2.533 1.00 0.00 C ATOM 1223 CD2 LEU A 83 17.058 10.639 -1.382 1.00 0.00 C ATOM 0 H LEU A 83 14.418 8.262 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 83 14.841 11.098 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.225 8.748 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.810 10.400 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 83 16.471 8.611 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.930 8.689 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.352 7.957 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.956 9.631 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.598 10.425 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.569 11.433 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.044 10.958 -1.142 1.00 0.00 H new ATOM 1235 N ASN A 84 14.313 9.561 -5.674 1.00 0.00 N ATOM 1236 CA ASN A 84 13.720 9.770 -6.993 1.00 0.00 C ATOM 1237 C ASN A 84 12.691 8.700 -7.317 1.00 0.00 C ATOM 1238 O ASN A 84 12.075 8.728 -8.377 1.00 0.00 O ATOM 1239 CB ASN A 84 14.791 9.821 -8.090 1.00 0.00 C ATOM 1240 CG ASN A 84 15.574 11.120 -8.072 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.082 12.153 -7.624 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.796 11.086 -8.576 1.00 0.00 N ATOM 0 H ASN A 84 14.817 8.681 -5.564 1.00 0.00 H new ATOM 0 HA ASN A 84 13.214 10.735 -6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.478 8.984 -7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.316 9.699 -9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.361 11.935 -8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.174 10.211 -8.940 1.00 0.00 H new ATOM 1249 N ALA A 85 12.516 7.750 -6.415 1.00 0.00 N ATOM 1250 CA ALA A 85 11.483 6.735 -6.562 1.00 0.00 C ATOM 1251 C ALA A 85 11.036 6.241 -5.195 1.00 0.00 C ATOM 1252 O ALA A 85 11.826 6.225 -4.248 1.00 0.00 O ATOM 1253 CB ALA A 85 11.975 5.584 -7.424 1.00 0.00 C ATOM 0 H ALA A 85 13.078 7.659 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 85 10.625 7.182 -7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.186 4.838 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.242 5.958 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.850 5.129 -6.959 1.00 0.00 H new ATOM 1259 N VAL A 86 9.778 5.838 -5.093 1.00 0.00 N ATOM 1260 CA VAL A 86 9.223 5.399 -3.823 1.00 0.00 C ATOM 1261 C VAL A 86 8.557 4.031 -3.964 1.00 0.00 C ATOM 1262 O VAL A 86 7.944 3.728 -4.989 1.00 0.00 O ATOM 1263 CB VAL A 86 8.202 6.425 -3.260 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.965 6.523 -4.143 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.817 6.078 -1.828 1.00 0.00 C ATOM 0 H VAL A 86 9.123 5.806 -5.874 1.00 0.00 H new ATOM 0 HA VAL A 86 10.052 5.321 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 86 8.685 7.402 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.272 7.250 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.257 6.841 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.480 5.549 -4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.101 6.811 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.367 5.086 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.707 6.089 -1.199 1.00 0.00 H new ATOM 1275 N ARG A 87 8.710 3.203 -2.944 1.00 0.00 N ATOM 1276 CA ARG A 87 8.036 1.919 -2.895 1.00 0.00 C ATOM 1277 C ARG A 87 6.790 2.020 -2.035 1.00 0.00 C ATOM 1278 O ARG A 87 6.870 2.336 -0.848 1.00 0.00 O ATOM 1279 CB ARG A 87 8.966 0.842 -2.339 1.00 0.00 C ATOM 1280 CG ARG A 87 10.054 0.409 -3.304 1.00 0.00 C ATOM 1281 CD ARG A 87 10.961 -0.625 -2.666 1.00 0.00 C ATOM 1282 NE ARG A 87 11.764 -1.353 -3.647 1.00 0.00 N ATOM 1283 CZ ARG A 87 12.690 -2.256 -3.319 1.00 0.00 C ATOM 1284 NH1 ARG A 87 12.967 -2.502 -2.041 1.00 0.00 N ATOM 1285 NH2 ARG A 87 13.334 -2.917 -4.273 1.00 0.00 N ATOM 0 H ARG A 87 9.299 3.400 -2.135 1.00 0.00 H new ATOM 0 HA ARG A 87 7.751 1.640 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.431 1.214 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.372 -0.029 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.603 -0.004 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.641 1.275 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.623 -0.132 -1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.356 -1.333 -2.100 1.00 0.00 H new ATOM 0 HE ARG A 87 11.608 -1.160 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.470 -1.999 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.676 -3.193 -1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.120 -2.734 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.042 -3.608 -4.026 1.00 0.00 H new ATOM 1299 N LEU A 88 5.643 1.796 -2.648 1.00 0.00 N ATOM 1300 CA LEU A 88 4.378 1.839 -1.939 1.00 0.00 C ATOM 1301 C LEU A 88 3.652 0.510 -2.068 1.00 0.00 C ATOM 1302 O LEU A 88 3.449 0.007 -3.175 1.00 0.00 O ATOM 1303 CB LEU A 88 3.507 2.971 -2.485 1.00 0.00 C ATOM 1304 CG LEU A 88 4.115 4.369 -2.356 1.00 0.00 C ATOM 1305 CD1 LEU A 88 3.227 5.401 -3.022 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.331 4.722 -0.893 1.00 0.00 C ATOM 0 H LEU A 88 5.561 1.581 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 88 4.577 2.025 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.300 2.776 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.550 2.957 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 88 5.082 4.370 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.677 6.389 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.119 5.160 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.246 5.398 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.764 5.720 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.375 4.702 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.009 3.998 -0.440 1.00 0.00 H new ATOM 1318 N LEU A 89 3.283 -0.071 -0.941 1.00 0.00 N ATOM 1319 CA LEU A 89 2.532 -1.312 -0.950 1.00 0.00 C ATOM 1320 C LEU A 89 1.057 -1.022 -0.717 1.00 0.00 C ATOM 1321 O LEU A 89 0.674 -0.526 0.345 1.00 0.00 O ATOM 1322 CB LEU A 89 3.043 -2.265 0.132 1.00 0.00 C ATOM 1323 CG LEU A 89 2.394 -3.651 0.129 1.00 0.00 C ATOM 1324 CD1 LEU A 89 3.084 -4.568 -0.868 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.426 -4.250 1.519 1.00 0.00 C ATOM 0 H LEU A 89 3.490 0.295 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 89 2.664 -1.787 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.120 -2.384 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.880 -1.806 1.107 1.00 0.00 H new ATOM 0 HG LEU A 89 1.353 -3.543 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.606 -5.547 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.007 -4.142 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.135 -4.673 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.961 -5.236 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.460 -4.343 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.880 -3.604 2.206 1.00 0.00 H new ATOM 1337 N VAL A 90 0.231 -1.320 -1.711 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.205 -1.154 -1.575 1.00 0.00 C ATOM 1339 C VAL A 90 -1.923 -2.434 -1.957 1.00 0.00 C ATOM 1340 O VAL A 90 -1.391 -3.266 -2.696 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.767 0.012 -2.426 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.251 1.353 -1.926 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.442 -0.173 -3.902 1.00 0.00 C ATOM 0 H VAL A 90 0.532 -1.677 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.384 -0.913 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.852 0.003 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.662 2.153 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.558 1.498 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.163 1.370 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.850 0.662 -4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.361 -0.209 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.882 -1.105 -4.257 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.118 -2.588 -1.425 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.952 -3.737 -1.709 1.00 0.00 C ATOM 1355 C VAL A 91 -5.417 -3.313 -1.660 1.00 0.00 C ATOM 1356 O VAL A 91 -5.754 -2.315 -1.014 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.687 -4.880 -0.693 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.090 -4.462 0.711 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.404 -6.162 -1.101 1.00 0.00 C ATOM 0 H VAL A 91 -3.539 -1.918 -0.782 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.712 -4.114 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.616 -5.082 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.895 -5.280 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.513 -3.587 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.152 -4.219 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.198 -6.943 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.478 -5.980 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.050 -6.481 -2.081 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.271 -4.036 -2.374 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.706 -3.789 -2.332 1.00 0.00 C ATOM 1371 C ASP A 92 -8.208 -3.885 -0.896 1.00 0.00 C ATOM 1372 O ASP A 92 -8.019 -4.902 -0.234 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.442 -4.798 -3.213 1.00 0.00 C ATOM 1374 CG ASP A 92 -9.944 -4.662 -3.105 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -10.518 -3.811 -3.820 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -10.550 -5.394 -2.297 1.00 0.00 O ATOM 0 H ASP A 92 -5.993 -4.800 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.902 -2.786 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.140 -4.659 -4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.149 -5.808 -2.928 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.850 -2.807 -0.403 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.265 -2.680 1.004 1.00 0.00 C ATOM 1383 C PRO A 93 -10.211 -3.786 1.454 1.00 0.00 C ATOM 1384 O PRO A 93 -10.157 -4.226 2.601 1.00 0.00 O ATOM 1385 CB PRO A 93 -9.977 -1.321 1.054 1.00 0.00 C ATOM 1386 CG PRO A 93 -10.326 -1.014 -0.360 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.228 -1.617 -1.184 1.00 0.00 C ATOM 0 HA PRO A 93 -8.408 -2.758 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.869 -1.366 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.330 -0.552 1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.294 -1.438 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.393 0.062 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.572 -1.882 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.390 -0.930 -1.306 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.076 -4.227 0.554 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.017 -5.291 0.861 1.00 0.00 C ATOM 1397 C GLU A 94 -11.293 -6.626 0.958 1.00 0.00 C ATOM 1398 O GLU A 94 -11.536 -7.418 1.873 1.00 0.00 O ATOM 1399 CB GLU A 94 -13.110 -5.348 -0.203 1.00 0.00 C ATOM 1400 CG GLU A 94 -14.027 -4.137 -0.186 1.00 0.00 C ATOM 1401 CD GLU A 94 -14.906 -4.092 1.047 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -16.013 -4.665 1.006 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -14.500 -3.479 2.058 1.00 0.00 O ATOM 0 H GLU A 94 -11.145 -3.863 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.482 -5.083 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.647 -5.431 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.706 -6.249 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.426 -3.229 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.656 -4.149 -1.076 1.00 0.00 H new ATOM 1410 N THR A 95 -10.391 -6.860 0.015 1.00 0.00 N ATOM 1411 CA THR A 95 -9.583 -8.067 0.005 1.00 0.00 C ATOM 1412 C THR A 95 -8.632 -8.090 1.201 1.00 0.00 C ATOM 1413 O THR A 95 -8.399 -9.138 1.802 1.00 0.00 O ATOM 1414 CB THR A 95 -8.774 -8.184 -1.298 1.00 0.00 C ATOM 1415 OG1 THR A 95 -9.647 -8.040 -2.428 1.00 0.00 O ATOM 1416 CG2 THR A 95 -8.065 -9.527 -1.371 1.00 0.00 C ATOM 0 H THR A 95 -10.201 -6.223 -0.758 1.00 0.00 H new ATOM 0 HA THR A 95 -10.263 -8.917 0.071 1.00 0.00 H new ATOM 0 HB THR A 95 -8.025 -7.392 -1.311 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.958 -7.112 -2.485 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.499 -9.589 -2.300 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.386 -9.626 -0.524 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.802 -10.330 -1.341 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.106 -6.923 1.550 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.199 -6.790 2.688 1.00 0.00 C ATOM 1426 C ASP A 96 -7.874 -7.278 3.963 1.00 0.00 C ATOM 1427 O ASP A 96 -7.260 -7.965 4.785 1.00 0.00 O ATOM 1428 CB ASP A 96 -6.770 -5.331 2.844 1.00 0.00 C ATOM 1429 CG ASP A 96 -5.886 -5.099 4.053 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -4.715 -5.524 4.030 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -6.363 -4.476 5.023 1.00 0.00 O ATOM 0 H ASP A 96 -8.292 -6.048 1.059 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.316 -7.402 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.238 -5.017 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.658 -4.704 2.924 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.156 -6.956 4.097 1.00 0.00 N ATOM 1437 CA GLU A 97 -9.943 -7.391 5.240 1.00 0.00 C ATOM 1438 C GLU A 97 -9.964 -8.912 5.351 1.00 0.00 C ATOM 1439 O GLU A 97 -9.702 -9.462 6.422 1.00 0.00 O ATOM 1440 CB GLU A 97 -11.372 -6.866 5.129 1.00 0.00 C ATOM 1441 CG GLU A 97 -11.491 -5.376 5.380 1.00 0.00 C ATOM 1442 CD GLU A 97 -11.140 -5.000 6.804 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -11.850 -5.447 7.732 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -10.172 -4.240 7.002 1.00 0.00 O ATOM 0 H GLU A 97 -9.673 -6.392 3.423 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.476 -6.986 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.757 -7.090 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.002 -7.398 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.834 -4.841 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.509 -5.054 5.163 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.258 -9.590 4.244 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.367 -11.044 4.261 1.00 0.00 C ATOM 1453 C GLN A 98 -8.996 -11.715 4.394 1.00 0.00 C ATOM 1454 O GLN A 98 -8.865 -12.703 5.113 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.110 -11.578 3.025 1.00 0.00 C ATOM 1456 CG GLN A 98 -10.371 -11.397 1.710 1.00 0.00 C ATOM 1457 CD GLN A 98 -10.994 -12.183 0.572 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -11.874 -11.690 -0.136 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -10.541 -13.416 0.391 1.00 0.00 N ATOM 0 H GLN A 98 -10.423 -9.160 3.334 1.00 0.00 H new ATOM 0 HA GLN A 98 -10.955 -11.300 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.311 -12.640 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.076 -11.078 2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.357 -10.339 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.334 -11.708 1.836 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.811 -13.786 1.000 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.922 -13.995 -0.357 1.00 0.00 H new ATOM 1468 N LEU A 99 -7.980 -11.178 3.716 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.669 -11.826 3.675 1.00 0.00 C ATOM 1470 C LEU A 99 -5.945 -11.755 5.021 1.00 0.00 C ATOM 1471 O LEU A 99 -5.356 -12.742 5.464 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.779 -11.226 2.578 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.271 -11.421 1.138 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -5.204 -10.974 0.152 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -6.656 -12.873 0.873 1.00 0.00 C ATOM 0 H LEU A 99 -8.039 -10.304 3.193 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.856 -12.875 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.675 -10.157 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.784 -11.663 2.664 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.162 -10.807 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.566 -11.118 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.980 -9.919 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.300 -11.564 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.000 -12.976 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.789 -13.514 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.455 -13.168 1.554 1.00 0.00 H new ATOM 1487 N GLN A 100 -5.994 -10.593 5.678 1.00 0.00 N ATOM 1488 CA GLN A 100 -5.268 -10.402 6.940 1.00 0.00 C ATOM 1489 C GLN A 100 -5.697 -11.408 8.002 1.00 0.00 C ATOM 1490 O GLN A 100 -4.857 -12.031 8.655 1.00 0.00 O ATOM 1491 CB GLN A 100 -5.470 -8.993 7.501 1.00 0.00 C ATOM 1492 CG GLN A 100 -4.800 -7.888 6.706 1.00 0.00 C ATOM 1493 CD GLN A 100 -4.881 -6.552 7.422 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -5.817 -6.294 8.182 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -3.905 -5.691 7.187 1.00 0.00 N ATOM 0 H GLN A 100 -6.521 -9.779 5.363 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.215 -10.554 6.703 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.539 -8.787 7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.092 -8.967 8.523 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.755 -8.146 6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.273 -7.806 5.727 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.147 -5.940 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.910 -4.778 7.641 1.00 0.00 H new ATOM 1504 N LYS A 101 -7.005 -11.561 8.172 1.00 0.00 N ATOM 1505 CA LYS A 101 -7.547 -12.418 9.222 1.00 0.00 C ATOM 1506 C LYS A 101 -7.245 -13.890 8.960 1.00 0.00 C ATOM 1507 O LYS A 101 -7.300 -14.715 9.873 1.00 0.00 O ATOM 1508 CB LYS A 101 -9.053 -12.194 9.384 1.00 0.00 C ATOM 1509 CG LYS A 101 -9.844 -12.323 8.091 1.00 0.00 C ATOM 1510 CD LYS A 101 -11.330 -12.090 8.316 1.00 0.00 C ATOM 1511 CE LYS A 101 -11.600 -10.726 8.934 1.00 0.00 C ATOM 1512 NZ LYS A 101 -13.048 -10.512 9.189 1.00 0.00 N ATOM 0 H LYS A 101 -7.711 -11.103 7.596 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.055 -12.143 10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.440 -12.912 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.219 -11.201 9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.469 -11.605 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.691 -13.316 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.859 -12.170 7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.726 -12.869 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.049 -10.636 9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.229 -9.946 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.191 -9.572 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.571 -10.573 8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.397 -11.241 9.843 1.00 0.00 H new ATOM 1526 N LEU A 102 -6.919 -14.217 7.713 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.541 -15.580 7.355 1.00 0.00 C ATOM 1528 C LEU A 102 -5.183 -15.936 7.960 1.00 0.00 C ATOM 1529 O LEU A 102 -4.852 -17.110 8.129 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.492 -15.743 5.830 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.830 -15.566 5.110 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -7.635 -15.596 3.602 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.815 -16.642 5.541 1.00 0.00 C ATOM 0 H LEU A 102 -6.909 -13.558 6.935 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.294 -16.258 7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.783 -15.020 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.103 -16.735 5.599 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.240 -14.594 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.598 -15.469 3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.965 -14.789 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.201 -16.552 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.761 -16.500 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.410 -17.624 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.981 -16.574 6.616 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.410 -14.910 8.299 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.101 -15.121 8.885 1.00 0.00 C ATOM 1547 C GLY A 103 -1.988 -14.910 7.881 1.00 0.00 C ATOM 1548 O GLY A 103 -0.952 -15.573 7.942 1.00 0.00 O ATOM 0 H GLY A 103 -4.669 -13.931 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.966 -14.439 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.042 -16.134 9.284 1.00 0.00 H new ATOM 1552 N VAL A 104 -2.204 -13.988 6.954 1.00 0.00 N ATOM 1553 CA VAL A 104 -1.231 -13.723 5.907 1.00 0.00 C ATOM 1554 C VAL A 104 -0.539 -12.382 6.126 1.00 0.00 C ATOM 1555 O VAL A 104 -1.188 -11.366 6.380 1.00 0.00 O ATOM 1556 CB VAL A 104 -1.889 -13.734 4.510 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -0.854 -13.489 3.421 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.616 -15.051 4.268 1.00 0.00 C ATOM 0 H VAL A 104 -3.044 -13.412 6.906 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.489 -14.520 5.954 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.619 -12.926 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.342 -13.501 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.383 -12.519 3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.096 -14.271 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.073 -15.038 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.906 -15.875 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.391 -15.183 5.023 1.00 0.00 H new ATOM 1568 N GLN A 105 0.782 -12.392 6.027 1.00 0.00 N ATOM 1569 CA GLN A 105 1.575 -11.184 6.192 1.00 0.00 C ATOM 1570 C GLN A 105 1.694 -10.454 4.857 1.00 0.00 C ATOM 1571 O GLN A 105 2.632 -10.678 4.086 1.00 0.00 O ATOM 1572 CB GLN A 105 2.965 -11.519 6.746 1.00 0.00 C ATOM 1573 CG GLN A 105 2.943 -12.307 8.050 1.00 0.00 C ATOM 1574 CD GLN A 105 2.645 -13.784 7.858 1.00 0.00 C ATOM 1575 OE1 GLN A 105 2.063 -14.429 8.727 1.00 0.00 O ATOM 1576 NE2 GLN A 105 3.054 -14.334 6.724 1.00 0.00 N ATOM 0 H GLN A 105 1.330 -13.230 5.832 1.00 0.00 H new ATOM 0 HA GLN A 105 1.074 -10.532 6.908 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.514 -12.091 5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.514 -10.591 6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.907 -12.200 8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.193 -11.876 8.714 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.534 -13.766 6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.889 -15.325 6.549 1.00 0.00 H new ATOM 1585 N VAL A 106 0.727 -9.587 4.601 1.00 0.00 N ATOM 1586 CA VAL A 106 0.611 -8.878 3.331 1.00 0.00 C ATOM 1587 C VAL A 106 1.770 -7.905 3.076 1.00 0.00 C ATOM 1588 O VAL A 106 2.152 -7.691 1.925 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.750 -8.131 3.267 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -0.683 -6.876 2.400 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -1.836 -9.067 2.758 1.00 0.00 C ATOM 0 H VAL A 106 -0.005 -9.352 5.271 1.00 0.00 H new ATOM 0 HA VAL A 106 0.660 -9.627 2.541 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.992 -7.809 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.659 -6.390 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.059 -6.190 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.401 -7.151 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.786 -8.534 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -1.574 -9.420 1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.927 -9.919 3.432 1.00 0.00 H new ATOM 1601 N ARG A 107 2.355 -7.354 4.140 1.00 0.00 N ATOM 1602 CA ARG A 107 3.284 -6.231 3.995 1.00 0.00 C ATOM 1603 C ARG A 107 4.510 -6.571 3.147 1.00 0.00 C ATOM 1604 O ARG A 107 4.910 -5.785 2.296 1.00 0.00 O ATOM 1605 CB ARG A 107 3.760 -5.715 5.354 1.00 0.00 C ATOM 1606 CG ARG A 107 4.565 -4.429 5.238 1.00 0.00 C ATOM 1607 CD ARG A 107 5.371 -4.138 6.492 1.00 0.00 C ATOM 1608 NE ARG A 107 6.466 -5.087 6.667 1.00 0.00 N ATOM 1609 CZ ARG A 107 7.753 -4.744 6.663 1.00 0.00 C ATOM 1610 NH1 ARG A 107 8.110 -3.480 6.465 1.00 0.00 N ATOM 1611 NH2 ARG A 107 8.688 -5.666 6.842 1.00 0.00 N ATOM 0 H ARG A 107 2.205 -7.662 5.101 1.00 0.00 H new ATOM 0 HA ARG A 107 2.715 -5.456 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.897 -5.543 5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.369 -6.479 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.239 -4.501 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.889 -3.597 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.773 -3.126 6.439 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.715 -4.176 7.362 1.00 0.00 H new ATOM 0 HE ARG A 107 6.232 -6.071 6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.397 -2.766 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 107 9.097 -3.223 6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.423 -6.641 6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.673 -5.401 6.839 1.00 0.00 H new ATOM 1625 N GLU A 108 5.106 -7.727 3.364 1.00 0.00 N ATOM 1626 CA GLU A 108 6.351 -8.035 2.678 1.00 0.00 C ATOM 1627 C GLU A 108 6.596 -9.541 2.641 1.00 0.00 C ATOM 1628 O GLU A 108 7.121 -10.066 1.661 1.00 0.00 O ATOM 1629 CB GLU A 108 7.507 -7.300 3.378 1.00 0.00 C ATOM 1630 CG GLU A 108 8.814 -7.259 2.595 1.00 0.00 C ATOM 1631 CD GLU A 108 9.707 -8.457 2.852 1.00 0.00 C ATOM 1632 OE1 GLU A 108 9.966 -8.766 4.037 1.00 0.00 O ATOM 1633 OE2 GLU A 108 10.173 -9.075 1.874 1.00 0.00 O ATOM 0 H GLU A 108 4.762 -8.453 3.992 1.00 0.00 H new ATOM 0 HA GLU A 108 6.287 -7.695 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.194 -6.277 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.692 -7.779 4.340 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.589 -7.204 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.356 -6.349 2.854 1.00 0.00 H new ATOM 1640 N GLU A 109 6.190 -10.228 3.706 1.00 0.00 N ATOM 1641 CA GLU A 109 6.381 -11.677 3.818 1.00 0.00 C ATOM 1642 C GLU A 109 5.767 -12.409 2.625 1.00 0.00 C ATOM 1643 O GLU A 109 6.346 -13.355 2.099 1.00 0.00 O ATOM 1644 CB GLU A 109 5.759 -12.188 5.120 1.00 0.00 C ATOM 1645 CG GLU A 109 5.930 -13.685 5.354 1.00 0.00 C ATOM 1646 CD GLU A 109 7.352 -14.073 5.704 1.00 0.00 C ATOM 1647 OE1 GLU A 109 7.698 -14.052 6.905 1.00 0.00 O ATOM 1648 OE2 GLU A 109 8.126 -14.402 4.786 1.00 0.00 O ATOM 0 H GLU A 109 5.724 -9.805 4.509 1.00 0.00 H new ATOM 0 HA GLU A 109 7.452 -11.878 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.203 -11.649 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.695 -11.952 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.265 -13.999 6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.623 -14.224 4.458 1.00 0.00 H new ATOM 1655 N LEU A 110 4.604 -11.948 2.184 1.00 0.00 N ATOM 1656 CA LEU A 110 3.917 -12.575 1.061 1.00 0.00 C ATOM 1657 C LEU A 110 4.672 -12.352 -0.249 1.00 0.00 C ATOM 1658 O LEU A 110 4.478 -13.081 -1.215 1.00 0.00 O ATOM 1659 CB LEU A 110 2.499 -12.027 0.932 1.00 0.00 C ATOM 1660 CG LEU A 110 1.635 -12.716 -0.122 1.00 0.00 C ATOM 1661 CD1 LEU A 110 1.515 -14.203 0.175 1.00 0.00 C ATOM 1662 CD2 LEU A 110 0.266 -12.064 -0.187 1.00 0.00 C ATOM 0 H LEU A 110 4.118 -11.146 2.584 1.00 0.00 H new ATOM 0 HA LEU A 110 3.876 -13.646 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.003 -12.112 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.556 -10.964 0.696 1.00 0.00 H new ATOM 0 HG LEU A 110 2.114 -12.604 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.896 -14.677 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.506 -14.656 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.057 -14.343 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.340 -12.565 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.223 -12.147 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.376 -11.012 -0.449 1.00 0.00 H new ATOM 1674 N LEU A 111 5.521 -11.337 -0.280 1.00 0.00 N ATOM 1675 CA LEU A 111 6.272 -11.010 -1.484 1.00 0.00 C ATOM 1676 C LEU A 111 7.601 -11.760 -1.516 1.00 0.00 C ATOM 1677 O LEU A 111 8.097 -12.126 -2.583 1.00 0.00 O ATOM 1678 CB LEU A 111 6.508 -9.495 -1.585 1.00 0.00 C ATOM 1679 CG LEU A 111 5.291 -8.653 -2.000 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.214 -8.643 -0.921 1.00 0.00 C ATOM 1681 CD2 LEU A 111 5.727 -7.236 -2.324 1.00 0.00 C ATOM 0 H LEU A 111 5.708 -10.725 0.514 1.00 0.00 H new ATOM 0 HA LEU A 111 5.681 -11.324 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.861 -9.136 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.309 -9.319 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 111 4.857 -9.110 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.371 -8.037 -1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.876 -9.662 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.623 -8.222 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.859 -6.646 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.190 -6.788 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.446 -7.255 -3.143 1.00 0.00 H new ATOM 1693 N ARG A 112 8.169 -11.989 -0.338 1.00 0.00 N ATOM 1694 CA ARG A 112 9.429 -12.720 -0.217 1.00 0.00 C ATOM 1695 C ARG A 112 9.189 -14.227 -0.234 1.00 0.00 C ATOM 1696 O ARG A 112 10.036 -15.000 -0.689 1.00 0.00 O ATOM 1697 CB ARG A 112 10.156 -12.321 1.070 1.00 0.00 C ATOM 1698 CG ARG A 112 9.288 -12.443 2.308 1.00 0.00 C ATOM 1699 CD ARG A 112 9.964 -11.880 3.542 1.00 0.00 C ATOM 1700 NE ARG A 112 10.773 -12.869 4.244 1.00 0.00 N ATOM 1701 CZ ARG A 112 11.677 -12.558 5.166 1.00 0.00 C ATOM 1702 NH1 ARG A 112 11.926 -11.285 5.454 1.00 0.00 N ATOM 1703 NH2 ARG A 112 12.327 -13.519 5.808 1.00 0.00 N ATOM 0 H ARG A 112 7.777 -11.679 0.551 1.00 0.00 H new ATOM 0 HA ARG A 112 10.053 -12.460 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 112 11.039 -12.948 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 112 10.505 -11.292 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 112 8.346 -11.920 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 112 9.045 -13.492 2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 112 10.595 -11.040 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 112 9.205 -11.490 4.221 1.00 0.00 H new ATOM 0 HE ARG A 112 10.637 -13.854 4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 112 11.422 -10.544 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 112 12.621 -11.049 6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 112 12.133 -14.497 5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 112 13.021 -13.280 6.516 1.00 0.00 H new ATOM 1717 N ALA A 113 8.035 -14.638 0.269 1.00 0.00 N ATOM 1718 CA ALA A 113 7.681 -16.044 0.318 1.00 0.00 C ATOM 1719 C ALA A 113 6.208 -16.237 -0.003 1.00 0.00 C ATOM 1720 O ALA A 113 5.343 -16.078 0.858 1.00 0.00 O ATOM 1721 CB ALA A 113 8.006 -16.627 1.683 1.00 0.00 C ATOM 0 H ALA A 113 7.326 -14.012 0.650 1.00 0.00 H new ATOM 0 HA ALA A 113 8.269 -16.571 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.734 -17.682 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.073 -16.524 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.444 -16.094 2.450 1.00 0.00 H new ATOM 1727 N GLN A 114 5.929 -16.580 -1.249 1.00 0.00 N ATOM 1728 CA GLN A 114 4.561 -16.819 -1.687 1.00 0.00 C ATOM 1729 C GLN A 114 4.286 -18.316 -1.683 1.00 0.00 C ATOM 1730 O GLN A 114 3.317 -18.793 -2.273 1.00 0.00 O ATOM 1731 CB GLN A 114 4.338 -16.250 -3.089 1.00 0.00 C ATOM 1732 CG GLN A 114 5.134 -14.984 -3.366 1.00 0.00 C ATOM 1733 CD GLN A 114 4.513 -14.134 -4.450 1.00 0.00 C ATOM 1734 OE1 GLN A 114 4.786 -14.321 -5.635 1.00 0.00 O ATOM 1735 NE2 GLN A 114 3.688 -13.177 -4.047 1.00 0.00 N ATOM 0 H GLN A 114 6.632 -16.700 -1.978 1.00 0.00 H new ATOM 0 HA GLN A 114 3.876 -16.319 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.607 -17.007 -3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 114 3.277 -16.038 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.210 -14.399 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.149 -15.254 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.491 -13.059 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.251 -12.559 -4.731 1.00 0.00 H new ATOM 1744 N GLU A 115 5.155 -19.038 -0.998 1.00 0.00 N ATOM 1745 CA GLU A 115 5.114 -20.489 -0.959 1.00 0.00 C ATOM 1746 C GLU A 115 4.102 -20.988 0.072 1.00 0.00 C ATOM 1747 O GLU A 115 4.457 -21.348 1.196 1.00 0.00 O ATOM 1748 CB GLU A 115 6.517 -21.036 -0.667 1.00 0.00 C ATOM 1749 CG GLU A 115 7.196 -20.407 0.546 1.00 0.00 C ATOM 1750 CD GLU A 115 8.651 -20.797 0.665 1.00 0.00 C ATOM 1751 OE1 GLU A 115 9.504 -20.102 0.077 1.00 0.00 O ATOM 1752 OE2 GLU A 115 8.952 -21.802 1.338 1.00 0.00 O ATOM 0 H GLU A 115 5.913 -18.632 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 115 4.788 -20.856 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.450 -22.113 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.146 -20.878 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.119 -19.322 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.668 -20.709 1.450 1.00 0.00 H new ATOM 1759 N ALA A 116 2.839 -20.998 -0.325 1.00 0.00 N ATOM 1760 CA ALA A 116 1.767 -21.479 0.524 1.00 0.00 C ATOM 1761 C ALA A 116 1.718 -23.001 0.499 1.00 0.00 C ATOM 1762 O ALA A 116 1.450 -23.608 -0.539 1.00 0.00 O ATOM 1763 CB ALA A 116 0.433 -20.894 0.083 1.00 0.00 C ATOM 0 H ALA A 116 2.532 -20.674 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 116 1.961 -21.154 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.360 -21.266 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.474 -19.807 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 116 0.228 -21.190 -0.946 1.00 0.00 H new ATOM 1769 N PRO A 117 2.012 -23.629 1.640 1.00 0.00 N ATOM 1770 CA PRO A 117 1.987 -25.087 1.778 1.00 0.00 C ATOM 1771 C PRO A 117 0.584 -25.664 1.605 1.00 0.00 C ATOM 1772 O PRO A 117 -0.415 -24.961 1.783 1.00 0.00 O ATOM 1773 CB PRO A 117 2.479 -25.339 3.210 1.00 0.00 C ATOM 1774 CG PRO A 117 3.080 -24.052 3.668 1.00 0.00 C ATOM 1775 CD PRO A 117 2.407 -22.962 2.885 1.00 0.00 C ATOM 0 HA PRO A 117 2.600 -25.565 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 117 1.656 -25.639 3.859 1.00 0.00 H new ATOM 0 HB3 PRO A 117 3.214 -26.144 3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 117 2.927 -23.912 4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 117 4.156 -24.044 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 117 1.544 -22.560 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 117 3.082 -22.127 2.697 1.00 0.00 H new ATOM 1783 N GLY A 118 0.515 -26.940 1.251 1.00 0.00 N ATOM 1784 CA GLY A 118 -0.767 -27.608 1.159 1.00 0.00 C ATOM 1785 C GLY A 118 -1.327 -27.909 2.534 1.00 0.00 C ATOM 1786 O GLY A 118 -1.870 -27.026 3.198 1.00 0.00 O ATOM 0 H GLY A 118 1.321 -27.523 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -1.468 -26.982 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.657 -28.535 0.597 1.00 0.00 H new ATOM 1790 N GLN A 119 -1.188 -29.153 2.964 1.00 0.00 N ATOM 1791 CA GLN A 119 -1.562 -29.538 4.319 1.00 0.00 C ATOM 1792 C GLN A 119 -0.310 -29.920 5.101 1.00 0.00 C ATOM 1793 O GLN A 119 -0.385 -30.408 6.231 1.00 0.00 O ATOM 1794 CB GLN A 119 -2.554 -30.707 4.300 1.00 0.00 C ATOM 1795 CG GLN A 119 -3.825 -30.417 3.517 1.00 0.00 C ATOM 1796 CD GLN A 119 -4.580 -29.210 4.040 1.00 0.00 C ATOM 1797 OE1 GLN A 119 -4.552 -28.907 5.234 1.00 0.00 O ATOM 1798 NE2 GLN A 119 -5.257 -28.504 3.147 1.00 0.00 N ATOM 0 H GLN A 119 -0.819 -29.915 2.395 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.049 -28.692 4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -2.064 -31.581 3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -2.820 -30.963 5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -3.571 -30.254 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.476 -31.290 3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -5.256 -28.786 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.779 -27.678 3.439 1.00 0.00 H new ATOM 1807 N ALA A 120 0.840 -29.692 4.479 1.00 0.00 N ATOM 1808 CA ALA A 120 2.124 -30.025 5.068 1.00 0.00 C ATOM 1809 C ALA A 120 3.216 -29.165 4.448 1.00 0.00 C ATOM 1810 O ALA A 120 3.651 -29.482 3.319 1.00 0.00 O ATOM 1811 CB ALA A 120 2.432 -31.504 4.873 1.00 0.00 C ATOM 1812 OXT ALA A 120 3.624 -28.172 5.081 1.00 0.00 O ATOM 0 H ALA A 120 0.905 -29.271 3.552 1.00 0.00 H new ATOM 0 HA ALA A 120 2.084 -29.824 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.398 -31.737 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.657 -32.103 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.461 -31.732 3.808 1.00 0.00 H new TER 1818 ALA A 120