USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -102:sc= 0.13 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0918) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -33:sc= -2.12! USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= -0.0241 (180deg=-0.506) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0961 F(o=-1.4!,f=-0.096) USER MOD Single : A 24 THR OG1 : rot -67:sc= 0.384 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -0:sc= 0.471! USER MOD Single : A 32 GLN : amide:sc= 0.215 X(o=0.21,f=-0.24) USER MOD Single : A 33 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.16) USER MOD Single : A 36 LYS NZ :NH3+ -143:sc= -0.284 (180deg=-1.32!) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.756 F(o=-1.5,f=-0.76) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= -0.359 (180deg=-1.19!) USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -0.0478 (180deg=-0.88) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 56 SER OG : rot -37:sc= 0.938 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.044 F(o=-3.2!,f=-0.044) USER MOD Single : A 69 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.682 4.195 -20.990 1.00 25.35 N ATOM 2 CA GLY A 1 -14.538 3.754 -19.854 1.00 24.96 C ATOM 3 C GLY A 1 -13.771 2.760 -18.986 1.00 22.95 C ATOM 4 O GLY A 1 -12.808 3.113 -18.336 1.00 22.47 O ATOM 0 H1 GLY A 1 -14.208 4.872 -21.579 1.00 25.35 H new ATOM 0 H2 GLY A 1 -12.823 4.651 -20.621 1.00 25.35 H new ATOM 0 H3 GLY A 1 -13.416 3.370 -21.565 1.00 25.35 H new ATOM 0 HA2 GLY A 1 -14.839 4.615 -19.258 1.00 24.96 H new ATOM 0 HA3 GLY A 1 -15.451 3.293 -20.232 1.00 24.96 H new ATOM 10 N SER A 2 -14.210 1.535 -18.996 1.00 21.89 N ATOM 11 CA SER A 2 -13.516 0.513 -18.179 1.00 20.09 C ATOM 12 C SER A 2 -13.810 -0.905 -18.672 1.00 19.02 C ATOM 13 O SER A 2 -14.256 -1.747 -17.919 1.00 18.24 O ATOM 14 CB SER A 2 -14.015 0.646 -16.741 1.00 20.23 C ATOM 15 OG SER A 2 -13.005 0.025 -15.967 1.00 20.22 O ATOM 0 H SER A 2 -15.012 1.202 -19.530 1.00 21.89 H new ATOM 0 HA SER A 2 -12.441 0.676 -18.252 1.00 20.09 H new ATOM 0 HB2 SER A 2 -14.147 1.691 -16.460 1.00 20.23 H new ATOM 0 HB3 SER A 2 -14.979 0.155 -16.606 1.00 20.23 H new ATOM 0 HG SER A 2 -13.247 0.067 -15.018 1.00 20.22 H new ATOM 21 N PRO A 3 -13.552 -1.143 -19.935 1.00 19.22 N ATOM 22 CA PRO A 3 -13.789 -2.462 -20.527 1.00 18.50 C ATOM 23 C PRO A 3 -12.992 -3.528 -19.784 1.00 16.84 C ATOM 24 O PRO A 3 -12.445 -3.270 -18.730 1.00 16.12 O ATOM 25 CB PRO A 3 -13.279 -2.342 -21.973 1.00 19.41 C ATOM 26 CG PRO A 3 -12.714 -0.912 -22.151 1.00 20.54 C ATOM 27 CD PRO A 3 -12.993 -0.139 -20.859 1.00 20.41 C ATOM 0 HA PRO A 3 -14.839 -2.750 -20.477 1.00 18.50 H new ATOM 0 HB2 PRO A 3 -12.507 -3.086 -22.170 1.00 19.41 H new ATOM 0 HB3 PRO A 3 -14.087 -2.526 -22.681 1.00 19.41 H new ATOM 0 HG2 PRO A 3 -11.643 -0.946 -22.353 1.00 20.54 H new ATOM 0 HG3 PRO A 3 -13.184 -0.418 -23.002 1.00 20.54 H new ATOM 0 HD2 PRO A 3 -12.081 0.304 -20.458 1.00 20.41 H new ATOM 0 HD3 PRO A 3 -13.696 0.677 -21.030 1.00 20.41 H new ATOM 35 N THR A 4 -12.931 -4.699 -20.347 1.00 16.41 N ATOM 36 CA THR A 4 -12.170 -5.787 -19.676 1.00 14.99 C ATOM 37 C THR A 4 -10.729 -5.357 -19.394 1.00 12.19 C ATOM 38 O THR A 4 -9.961 -5.126 -20.304 1.00 12.07 O ATOM 39 CB THR A 4 -12.144 -7.005 -20.606 1.00 16.22 C ATOM 40 OG1 THR A 4 -12.274 -6.479 -21.913 1.00 17.74 O ATOM 41 CG2 THR A 4 -13.394 -7.875 -20.418 1.00 18.49 C ATOM 0 H THR A 4 -13.370 -4.950 -21.233 1.00 16.41 H new ATOM 0 HA THR A 4 -12.655 -6.023 -18.729 1.00 14.99 H new ATOM 0 HB THR A 4 -11.244 -7.589 -20.416 1.00 16.22 H new ATOM 0 HG1 THR A 4 -13.194 -6.604 -22.226 1.00 17.74 H new ATOM 0 HG21 THR A 4 -13.346 -8.731 -21.091 1.00 18.49 H new ATOM 0 HG22 THR A 4 -13.441 -8.226 -19.387 1.00 18.49 H new ATOM 0 HG23 THR A 4 -14.284 -7.287 -20.642 1.00 18.49 H new ATOM 49 N PHE A 5 -10.398 -5.257 -18.134 1.00 10.41 N ATOM 50 CA PHE A 5 -9.021 -4.844 -17.753 1.00 7.56 C ATOM 51 C PHE A 5 -8.528 -5.714 -16.601 1.00 6.08 C ATOM 52 O PHE A 5 -9.204 -6.641 -16.201 1.00 7.23 O ATOM 53 CB PHE A 5 -9.077 -3.375 -17.296 1.00 6.65 C ATOM 54 CG PHE A 5 -8.058 -2.521 -18.070 1.00 4.96 C ATOM 55 CD1 PHE A 5 -7.996 -2.560 -19.455 1.00 4.46 C ATOM 56 CD2 PHE A 5 -7.187 -1.687 -17.386 1.00 4.19 C ATOM 57 CE1 PHE A 5 -7.082 -1.784 -20.139 1.00 3.46 C ATOM 58 CE2 PHE A 5 -6.275 -0.909 -18.074 1.00 3.08 C ATOM 59 CZ PHE A 5 -6.222 -0.958 -19.450 1.00 2.93 C ATOM 0 H PHE A 5 -11.026 -5.445 -17.352 1.00 10.41 H new ATOM 0 HA PHE A 5 -8.342 -4.957 -18.598 1.00 7.56 H new ATOM 0 HB2 PHE A 5 -10.081 -2.980 -17.451 1.00 6.65 H new ATOM 0 HB3 PHE A 5 -8.872 -3.314 -16.227 1.00 6.65 H new ATOM 0 HD1 PHE A 5 -8.669 -3.203 -20.003 1.00 4.46 H new ATOM 0 HD2 PHE A 5 -7.221 -1.645 -16.307 1.00 4.19 H new ATOM 0 HE1 PHE A 5 -7.041 -1.825 -21.217 1.00 3.46 H new ATOM 0 HE2 PHE A 5 -5.602 -0.261 -17.532 1.00 3.08 H new ATOM 0 HZ PHE A 5 -5.508 -0.351 -19.987 1.00 2.93 H new ATOM 69 N LYS A 6 -7.368 -5.408 -16.082 1.00 3.55 N ATOM 70 CA LYS A 6 -6.851 -6.229 -14.957 1.00 1.98 C ATOM 71 C LYS A 6 -7.422 -5.760 -13.622 1.00 1.67 C ATOM 72 O LYS A 6 -8.093 -4.749 -13.546 1.00 2.73 O ATOM 73 CB LYS A 6 -5.316 -6.107 -14.910 1.00 1.65 C ATOM 74 CG LYS A 6 -4.916 -4.653 -14.623 1.00 2.54 C ATOM 75 CD LYS A 6 -3.388 -4.536 -14.642 1.00 1.76 C ATOM 76 CE LYS A 6 -2.949 -3.544 -13.561 1.00 4.56 C ATOM 77 NZ LYS A 6 -3.056 -4.165 -12.208 1.00 5.80 N ATOM 0 H LYS A 6 -6.769 -4.640 -16.383 1.00 3.55 H new ATOM 0 HA LYS A 6 -7.153 -7.264 -15.120 1.00 1.98 H new ATOM 0 HB2 LYS A 6 -4.914 -6.763 -14.138 1.00 1.65 H new ATOM 0 HB3 LYS A 6 -4.888 -6.431 -15.859 1.00 1.65 H new ATOM 0 HG2 LYS A 6 -5.353 -3.989 -15.369 1.00 2.54 H new ATOM 0 HG3 LYS A 6 -5.304 -4.341 -13.653 1.00 2.54 H new ATOM 0 HD2 LYS A 6 -2.934 -5.511 -14.465 1.00 1.76 H new ATOM 0 HD3 LYS A 6 -3.049 -4.200 -15.622 1.00 1.76 H new ATOM 0 HE2 LYS A 6 -1.921 -3.230 -13.743 1.00 4.56 H new ATOM 0 HE3 LYS A 6 -3.569 -2.649 -13.607 1.00 4.56 H new ATOM 0 HZ1 LYS A 6 -2.499 -3.611 -11.527 1.00 5.80 H new ATOM 0 HZ2 LYS A 6 -4.052 -4.180 -11.911 1.00 5.80 H new ATOM 0 HZ3 LYS A 6 -2.691 -5.138 -12.243 1.00 5.80 H new ATOM 91 N CYS A 7 -7.145 -6.514 -12.597 1.00 0.39 N ATOM 92 CA CYS A 7 -7.653 -6.147 -11.251 1.00 0.78 C ATOM 93 C CYS A 7 -6.738 -6.720 -10.173 1.00 0.94 C ATOM 94 O CYS A 7 -5.783 -7.409 -10.475 1.00 1.79 O ATOM 95 CB CYS A 7 -9.059 -6.738 -11.088 1.00 0.99 C ATOM 96 SG CYS A 7 -10.455 -5.587 -11.169 1.00 2.21 S ATOM 0 H CYS A 7 -6.589 -7.368 -12.635 1.00 0.39 H new ATOM 0 HA CYS A 7 -7.680 -5.062 -11.150 1.00 0.78 H new ATOM 0 HB2 CYS A 7 -9.199 -7.494 -11.860 1.00 0.99 H new ATOM 0 HB3 CYS A 7 -9.100 -7.252 -10.128 1.00 0.99 H new ATOM 0 HG CYS A 7 -11.567 -6.242 -11.016 1.00 2.21 H new ATOM 102 N ALA A 8 -7.032 -6.429 -8.938 1.00 0.52 N ATOM 103 CA ALA A 8 -6.166 -6.968 -7.858 1.00 0.54 C ATOM 104 C ALA A 8 -6.931 -7.139 -6.545 1.00 0.44 C ATOM 105 O ALA A 8 -8.079 -6.760 -6.426 1.00 0.40 O ATOM 106 CB ALA A 8 -5.002 -5.996 -7.635 1.00 0.69 C ATOM 0 H ALA A 8 -7.818 -5.854 -8.634 1.00 0.52 H new ATOM 0 HA ALA A 8 -5.807 -7.950 -8.165 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.356 -6.377 -6.844 1.00 0.69 H new ATOM 0 HB2 ALA A 8 -4.428 -5.898 -8.557 1.00 0.69 H new ATOM 0 HB3 ALA A 8 -5.393 -5.021 -7.345 1.00 0.69 H new ATOM 112 N VAL A 9 -6.255 -7.712 -5.587 1.00 0.44 N ATOM 113 CA VAL A 9 -6.870 -7.945 -4.254 1.00 0.32 C ATOM 114 C VAL A 9 -5.827 -7.740 -3.168 1.00 0.37 C ATOM 115 O VAL A 9 -4.769 -7.194 -3.402 1.00 0.62 O ATOM 116 CB VAL A 9 -7.307 -9.423 -4.184 1.00 0.17 C ATOM 117 CG1 VAL A 9 -8.773 -9.486 -3.803 1.00 1.99 C ATOM 118 CG2 VAL A 9 -7.093 -10.116 -5.536 1.00 2.19 C ATOM 0 H VAL A 9 -5.290 -8.032 -5.675 1.00 0.44 H new ATOM 0 HA VAL A 9 -7.708 -7.262 -4.114 1.00 0.32 H new ATOM 0 HB VAL A 9 -6.704 -9.938 -3.436 1.00 0.17 H new ATOM 0 HG11 VAL A 9 -9.091 -10.527 -3.751 1.00 1.99 H new ATOM 0 HG12 VAL A 9 -8.917 -9.014 -2.831 1.00 1.99 H new ATOM 0 HG13 VAL A 9 -9.367 -8.962 -4.552 1.00 1.99 H new ATOM 0 HG21 VAL A 9 -7.407 -11.157 -5.465 1.00 2.19 H new ATOM 0 HG22 VAL A 9 -7.682 -9.610 -6.301 1.00 2.19 H new ATOM 0 HG23 VAL A 9 -6.037 -10.073 -5.804 1.00 2.19 H new ATOM 128 N LYS A 10 -6.160 -8.188 -2.001 1.00 0.17 N ATOM 129 CA LYS A 10 -5.233 -8.058 -0.854 1.00 0.19 C ATOM 130 C LYS A 10 -5.573 -9.165 0.143 1.00 0.15 C ATOM 131 O LYS A 10 -6.408 -8.987 1.000 1.00 0.23 O ATOM 132 CB LYS A 10 -5.441 -6.690 -0.196 1.00 0.24 C ATOM 133 CG LYS A 10 -4.230 -6.361 0.680 1.00 0.28 C ATOM 134 CD LYS A 10 -4.714 -5.729 1.987 1.00 0.81 C ATOM 135 CE LYS A 10 -3.531 -5.060 2.694 1.00 1.48 C ATOM 136 NZ LYS A 10 -3.828 -4.869 4.142 1.00 2.47 N ATOM 0 H LYS A 10 -7.047 -8.645 -1.788 1.00 0.17 H new ATOM 0 HA LYS A 10 -4.196 -8.143 -1.178 1.00 0.19 H new ATOM 0 HB2 LYS A 10 -5.572 -5.923 -0.959 1.00 0.24 H new ATOM 0 HB3 LYS A 10 -6.349 -6.698 0.407 1.00 0.24 H new ATOM 0 HG2 LYS A 10 -3.660 -7.266 0.889 1.00 0.28 H new ATOM 0 HG3 LYS A 10 -3.562 -5.677 0.156 1.00 0.28 H new ATOM 0 HD2 LYS A 10 -5.493 -4.995 1.783 1.00 0.81 H new ATOM 0 HD3 LYS A 10 -5.154 -6.490 2.631 1.00 0.81 H new ATOM 0 HE2 LYS A 10 -2.637 -5.672 2.578 1.00 1.48 H new ATOM 0 HE3 LYS A 10 -3.320 -4.097 2.230 1.00 1.48 H new ATOM 0 HZ1 LYS A 10 -3.016 -4.414 4.606 1.00 2.47 H new ATOM 0 HZ2 LYS A 10 -4.669 -4.266 4.247 1.00 2.47 H new ATOM 0 HZ3 LYS A 10 -4.007 -5.793 4.585 1.00 2.47 H new ATOM 150 N ALA A 11 -4.933 -10.295 -0.001 1.00 0.14 N ATOM 151 CA ALA A 11 -5.219 -11.420 0.931 1.00 0.14 C ATOM 152 C ALA A 11 -5.338 -10.952 2.366 1.00 0.12 C ATOM 153 O ALA A 11 -4.419 -10.397 2.936 1.00 0.17 O ATOM 154 CB ALA A 11 -4.090 -12.443 0.827 1.00 0.17 C ATOM 0 H ALA A 11 -4.232 -10.485 -0.717 1.00 0.14 H new ATOM 0 HA ALA A 11 -6.174 -11.862 0.647 1.00 0.14 H new ATOM 0 HB1 ALA A 11 -4.287 -13.273 1.505 1.00 0.17 H new ATOM 0 HB2 ALA A 11 -4.030 -12.816 -0.195 1.00 0.17 H new ATOM 0 HB3 ALA A 11 -3.145 -11.971 1.097 1.00 0.17 H new ATOM 160 N LEU A 12 -6.492 -11.191 2.919 1.00 0.12 N ATOM 161 CA LEU A 12 -6.734 -10.785 4.317 1.00 0.16 C ATOM 162 C LEU A 12 -6.287 -11.886 5.269 1.00 0.20 C ATOM 163 O LEU A 12 -5.828 -11.609 6.357 1.00 0.32 O ATOM 164 CB LEU A 12 -8.236 -10.556 4.497 1.00 0.16 C ATOM 165 CG LEU A 12 -8.729 -9.561 3.437 1.00 0.42 C ATOM 166 CD1 LEU A 12 -10.212 -9.293 3.673 1.00 0.75 C ATOM 167 CD2 LEU A 12 -7.976 -8.235 3.597 1.00 0.69 C ATOM 0 H LEU A 12 -7.276 -11.651 2.457 1.00 0.12 H new ATOM 0 HA LEU A 12 -6.173 -9.877 4.536 1.00 0.16 H new ATOM 0 HB2 LEU A 12 -8.773 -11.500 4.404 1.00 0.16 H new ATOM 0 HB3 LEU A 12 -8.439 -10.171 5.496 1.00 0.16 H new ATOM 0 HG LEU A 12 -8.561 -9.972 2.442 1.00 0.42 H new ATOM 0 HD11 LEU A 12 -10.577 -8.587 2.927 1.00 0.75 H new ATOM 0 HD12 LEU A 12 -10.768 -10.227 3.592 1.00 0.75 H new ATOM 0 HD13 LEU A 12 -10.352 -8.873 4.669 1.00 0.75 H new ATOM 0 HD21 LEU A 12 -8.324 -7.526 2.846 1.00 0.69 H new ATOM 0 HD22 LEU A 12 -8.161 -7.829 4.592 1.00 0.69 H new ATOM 0 HD23 LEU A 12 -6.907 -8.406 3.468 1.00 0.69 H new ATOM 179 N PHE A 13 -6.420 -13.114 4.829 1.00 0.20 N ATOM 180 CA PHE A 13 -6.005 -14.261 5.700 1.00 0.34 C ATOM 181 C PHE A 13 -4.823 -14.988 5.049 1.00 0.46 C ATOM 182 O PHE A 13 -4.695 -14.999 3.840 1.00 1.13 O ATOM 183 CB PHE A 13 -7.180 -15.251 5.867 1.00 0.35 C ATOM 184 CG PHE A 13 -8.481 -14.548 6.319 1.00 0.20 C ATOM 185 CD1 PHE A 13 -8.466 -13.343 7.016 1.00 0.08 C ATOM 186 CD2 PHE A 13 -9.708 -15.124 6.017 1.00 0.32 C ATOM 187 CE1 PHE A 13 -9.648 -12.739 7.388 1.00 0.16 C ATOM 188 CE2 PHE A 13 -10.885 -14.514 6.393 1.00 0.40 C ATOM 189 CZ PHE A 13 -10.856 -13.323 7.079 1.00 0.34 C ATOM 0 H PHE A 13 -6.793 -13.371 3.915 1.00 0.20 H new ATOM 0 HA PHE A 13 -5.715 -13.880 6.679 1.00 0.34 H new ATOM 0 HB2 PHE A 13 -7.357 -15.764 4.922 1.00 0.35 H new ATOM 0 HB3 PHE A 13 -6.909 -16.013 6.598 1.00 0.35 H new ATOM 0 HD1 PHE A 13 -7.523 -12.879 7.267 1.00 0.08 H new ATOM 0 HD2 PHE A 13 -9.740 -16.061 5.481 1.00 0.32 H new ATOM 0 HE1 PHE A 13 -9.626 -11.802 7.925 1.00 0.16 H new ATOM 0 HE2 PHE A 13 -11.832 -14.972 6.148 1.00 0.40 H new ATOM 0 HZ PHE A 13 -11.779 -12.846 7.375 1.00 0.34 H new ATOM 199 N ASP A 14 -3.985 -15.582 5.861 1.00 0.30 N ATOM 200 CA ASP A 14 -2.806 -16.309 5.302 1.00 0.33 C ATOM 201 C ASP A 14 -3.145 -17.732 4.845 1.00 0.25 C ATOM 202 O ASP A 14 -3.935 -18.425 5.456 1.00 0.32 O ATOM 203 CB ASP A 14 -1.735 -16.394 6.397 1.00 0.53 C ATOM 204 CG ASP A 14 -1.209 -17.826 6.485 1.00 2.58 C ATOM 205 OD1 ASP A 14 -1.895 -18.615 7.113 1.00 2.17 O ATOM 206 OD2 ASP A 14 -0.152 -18.050 5.920 1.00 4.67 O ATOM 0 H ASP A 14 -4.065 -15.595 6.878 1.00 0.30 H new ATOM 0 HA ASP A 14 -2.460 -15.758 4.427 1.00 0.33 H new ATOM 0 HB2 ASP A 14 -0.918 -15.708 6.175 1.00 0.53 H new ATOM 0 HB3 ASP A 14 -2.155 -16.090 7.356 1.00 0.53 H new ATOM 211 N TYR A 15 -2.516 -18.125 3.769 1.00 0.26 N ATOM 212 CA TYR A 15 -2.739 -19.485 3.202 1.00 0.19 C ATOM 213 C TYR A 15 -1.464 -20.308 3.355 1.00 0.18 C ATOM 214 O TYR A 15 -0.452 -19.802 3.798 1.00 0.18 O ATOM 215 CB TYR A 15 -3.011 -19.322 1.698 1.00 0.18 C ATOM 216 CG TYR A 15 -3.677 -20.582 1.126 1.00 0.22 C ATOM 217 CD1 TYR A 15 -2.930 -21.691 0.764 1.00 0.25 C ATOM 218 CD2 TYR A 15 -5.044 -20.644 1.016 1.00 0.29 C ATOM 219 CE1 TYR A 15 -3.534 -22.833 0.325 1.00 0.32 C ATOM 220 CE2 TYR A 15 -5.662 -21.798 0.563 1.00 0.37 C ATOM 221 CZ TYR A 15 -4.908 -22.905 0.218 1.00 0.39 C ATOM 222 OH TYR A 15 -5.517 -24.077 -0.182 1.00 0.47 O ATOM 0 H TYR A 15 -1.848 -17.552 3.253 1.00 0.26 H new ATOM 0 HA TYR A 15 -3.568 -19.976 3.712 1.00 0.19 H new ATOM 0 HB2 TYR A 15 -3.654 -18.458 1.531 1.00 0.18 H new ATOM 0 HB3 TYR A 15 -2.075 -19.129 1.173 1.00 0.18 H new ATOM 0 HD1 TYR A 15 -1.853 -21.651 0.830 1.00 0.25 H new ATOM 0 HD2 TYR A 15 -5.642 -19.786 1.285 1.00 0.29 H new ATOM 0 HE1 TYR A 15 -2.931 -23.689 0.059 1.00 0.32 H new ATOM 0 HE2 TYR A 15 -6.738 -21.834 0.479 1.00 0.37 H new ATOM 0 HH TYR A 15 -4.938 -24.546 -0.819 1.00 0.47 H new ATOM 232 N LYS A 16 -1.530 -21.554 2.991 1.00 0.18 N ATOM 233 CA LYS A 16 -0.320 -22.401 3.110 1.00 0.17 C ATOM 234 C LYS A 16 -0.267 -23.534 2.068 1.00 0.14 C ATOM 235 O LYS A 16 -0.506 -24.688 2.365 1.00 0.36 O ATOM 236 CB LYS A 16 -0.242 -22.970 4.537 1.00 0.24 C ATOM 237 CG LYS A 16 0.935 -22.311 5.257 1.00 1.29 C ATOM 238 CD LYS A 16 0.972 -22.790 6.704 1.00 1.68 C ATOM 239 CE LYS A 16 1.973 -21.935 7.482 1.00 2.06 C ATOM 240 NZ LYS A 16 3.282 -21.878 6.769 1.00 3.34 N ATOM 0 H LYS A 16 -2.360 -22.017 2.621 1.00 0.18 H new ATOM 0 HA LYS A 16 0.545 -21.770 2.908 1.00 0.17 H new ATOM 0 HB2 LYS A 16 -1.171 -22.777 5.073 1.00 0.24 H new ATOM 0 HB3 LYS A 16 -0.111 -24.052 4.507 1.00 0.24 H new ATOM 0 HG2 LYS A 16 1.870 -22.561 4.755 1.00 1.29 H new ATOM 0 HG3 LYS A 16 0.836 -21.226 5.223 1.00 1.29 H new ATOM 0 HD2 LYS A 16 -0.019 -22.713 7.152 1.00 1.68 H new ATOM 0 HD3 LYS A 16 1.260 -23.840 6.746 1.00 1.68 H new ATOM 0 HE2 LYS A 16 1.578 -20.927 7.608 1.00 2.06 H new ATOM 0 HE3 LYS A 16 2.114 -22.349 8.480 1.00 2.06 H new ATOM 0 HZ1 LYS A 16 4.051 -21.785 7.463 1.00 3.34 H new ATOM 0 HZ2 LYS A 16 3.416 -22.750 6.219 1.00 3.34 H new ATOM 0 HZ3 LYS A 16 3.293 -21.059 6.128 1.00 3.34 H new ATOM 254 N ALA A 17 0.024 -23.151 0.848 1.00 0.34 N ATOM 255 CA ALA A 17 0.119 -24.147 -0.260 1.00 0.36 C ATOM 256 C ALA A 17 1.485 -24.000 -0.859 1.00 0.38 C ATOM 257 O ALA A 17 2.214 -24.947 -1.062 1.00 0.45 O ATOM 258 CB ALA A 17 -0.842 -23.834 -1.397 1.00 0.40 C ATOM 0 H ALA A 17 0.200 -22.185 0.573 1.00 0.34 H new ATOM 0 HA ALA A 17 -0.100 -25.132 0.151 1.00 0.36 H new ATOM 0 HB1 ALA A 17 -0.737 -24.585 -2.180 1.00 0.40 H new ATOM 0 HB2 ALA A 17 -1.865 -23.842 -1.021 1.00 0.40 H new ATOM 0 HB3 ALA A 17 -0.614 -22.850 -1.806 1.00 0.40 H new ATOM 264 N GLN A 18 1.743 -22.757 -1.144 1.00 0.32 N ATOM 265 CA GLN A 18 3.035 -22.337 -1.748 1.00 0.35 C ATOM 266 C GLN A 18 3.037 -22.653 -3.235 1.00 0.35 C ATOM 267 O GLN A 18 3.572 -21.909 -4.031 1.00 0.36 O ATOM 268 CB GLN A 18 4.187 -23.079 -1.048 1.00 0.37 C ATOM 269 CG GLN A 18 5.517 -22.353 -1.304 1.00 0.47 C ATOM 270 CD GLN A 18 6.522 -22.735 -0.212 1.00 0.48 C ATOM 271 OE1 GLN A 18 6.235 -23.716 0.600 1.00 0.72 O flip ATOM 272 NE2 GLN A 18 7.572 -22.136 -0.083 1.00 1.08 N flip ATOM 0 H GLN A 18 1.091 -21.991 -0.978 1.00 0.32 H new ATOM 0 HA GLN A 18 3.166 -21.263 -1.619 1.00 0.35 H new ATOM 0 HB2 GLN A 18 3.995 -23.136 0.024 1.00 0.37 H new ATOM 0 HB3 GLN A 18 4.246 -24.103 -1.416 1.00 0.37 H new ATOM 0 HG2 GLN A 18 5.909 -22.623 -2.285 1.00 0.47 H new ATOM 0 HG3 GLN A 18 5.360 -21.274 -1.309 1.00 0.47 H new ATOM 0 HE21 GLN A 18 7.802 -21.369 -0.714 1.00 1.08 H new ATOM 0 HE22 GLN A 18 8.223 -22.401 0.656 1.00 1.08 H new ATOM 281 N ARG A 19 2.439 -23.757 -3.577 1.00 0.35 N ATOM 282 CA ARG A 19 2.390 -24.147 -5.007 1.00 0.34 C ATOM 283 C ARG A 19 1.596 -25.439 -5.179 1.00 0.28 C ATOM 284 O ARG A 19 2.170 -26.500 -5.338 1.00 0.37 O ATOM 285 CB ARG A 19 3.822 -24.377 -5.524 1.00 0.53 C ATOM 286 CG ARG A 19 4.689 -24.992 -4.408 1.00 2.52 C ATOM 287 CD ARG A 19 5.972 -25.603 -4.994 1.00 2.44 C ATOM 288 NE ARG A 19 6.167 -26.952 -4.400 1.00 2.29 N ATOM 289 CZ ARG A 19 5.557 -27.978 -4.929 1.00 2.29 C ATOM 290 NH1 ARG A 19 4.343 -28.255 -4.541 1.00 3.33 N ATOM 291 NH2 ARG A 19 6.182 -28.691 -5.826 1.00 2.11 N ATOM 0 H ARG A 19 1.985 -24.402 -2.931 1.00 0.35 H new ATOM 0 HA ARG A 19 1.907 -23.348 -5.569 1.00 0.34 H new ATOM 0 HB2 ARG A 19 3.804 -25.040 -6.389 1.00 0.53 H new ATOM 0 HB3 ARG A 19 4.255 -23.433 -5.854 1.00 0.53 H new ATOM 0 HG2 ARG A 19 4.946 -24.226 -3.676 1.00 2.52 H new ATOM 0 HG3 ARG A 19 4.122 -25.759 -3.881 1.00 2.52 H new ATOM 0 HD2 ARG A 19 5.896 -25.674 -6.079 1.00 2.44 H new ATOM 0 HD3 ARG A 19 6.829 -24.966 -4.776 1.00 2.44 H new ATOM 0 HE ARG A 19 6.771 -27.075 -3.587 1.00 2.29 H new ATOM 0 HH11 ARG A 19 3.888 -27.674 -3.837 1.00 3.33 H new ATOM 0 HH12 ARG A 19 3.849 -29.052 -4.942 1.00 3.33 H new ATOM 0 HH21 ARG A 19 7.132 -28.443 -6.103 1.00 2.11 H new ATOM 0 HH22 ARG A 19 5.721 -29.496 -6.250 1.00 2.11 H new ATOM 305 N GLU A 20 0.290 -25.333 -5.136 1.00 0.20 N ATOM 306 CA GLU A 20 -0.542 -26.563 -5.298 1.00 0.25 C ATOM 307 C GLU A 20 -1.829 -26.233 -5.996 1.00 0.21 C ATOM 308 O GLU A 20 -2.837 -26.870 -5.790 1.00 0.31 O ATOM 309 CB GLU A 20 -0.876 -27.133 -3.916 1.00 0.32 C ATOM 310 CG GLU A 20 -2.126 -26.448 -3.316 1.00 0.08 C ATOM 311 CD GLU A 20 -2.222 -26.847 -1.835 1.00 1.97 C ATOM 312 OE1 GLU A 20 -1.343 -27.583 -1.414 1.00 2.54 O ATOM 313 OE2 GLU A 20 -3.169 -26.397 -1.208 1.00 2.95 O ATOM 0 H GLU A 20 -0.227 -24.465 -4.998 1.00 0.20 H new ATOM 0 HA GLU A 20 0.019 -27.288 -5.888 1.00 0.25 H new ATOM 0 HB2 GLU A 20 -1.049 -28.206 -3.994 1.00 0.32 H new ATOM 0 HB3 GLU A 20 -0.026 -26.995 -3.248 1.00 0.32 H new ATOM 0 HG2 GLU A 20 -2.051 -25.365 -3.415 1.00 0.08 H new ATOM 0 HG3 GLU A 20 -3.024 -26.756 -3.852 1.00 0.08 H new ATOM 320 N ASP A 21 -1.750 -25.328 -6.894 1.00 0.27 N ATOM 321 CA ASP A 21 -2.977 -24.947 -7.593 1.00 0.21 C ATOM 322 C ASP A 21 -3.708 -24.208 -6.503 1.00 0.15 C ATOM 323 O ASP A 21 -4.889 -24.323 -6.299 1.00 0.12 O ATOM 324 CB ASP A 21 -3.768 -26.184 -8.049 1.00 0.25 C ATOM 325 CG ASP A 21 -4.432 -25.892 -9.397 1.00 2.27 C ATOM 326 OD1 ASP A 21 -3.691 -25.547 -10.301 1.00 2.50 O ATOM 327 OD2 ASP A 21 -5.640 -26.034 -9.445 1.00 3.75 O ATOM 0 H ASP A 21 -0.901 -24.838 -7.175 1.00 0.27 H new ATOM 0 HA ASP A 21 -2.815 -24.369 -8.503 1.00 0.21 H new ATOM 0 HB2 ASP A 21 -3.103 -27.043 -8.137 1.00 0.25 H new ATOM 0 HB3 ASP A 21 -4.524 -26.441 -7.307 1.00 0.25 H new ATOM 332 N GLU A 22 -2.850 -23.605 -5.735 1.00 0.14 N ATOM 333 CA GLU A 22 -3.206 -22.778 -4.566 1.00 0.11 C ATOM 334 C GLU A 22 -1.850 -22.297 -4.028 1.00 0.09 C ATOM 335 O GLU A 22 -0.857 -22.930 -4.325 1.00 0.14 O ATOM 336 CB GLU A 22 -3.960 -23.655 -3.536 1.00 0.14 C ATOM 337 CG GLU A 22 -5.296 -23.020 -3.126 1.00 0.20 C ATOM 338 CD GLU A 22 -6.246 -24.122 -2.653 1.00 0.51 C ATOM 339 OE1 GLU A 22 -5.731 -25.180 -2.335 1.00 0.42 O ATOM 340 OE2 GLU A 22 -7.433 -23.843 -2.634 1.00 0.88 O ATOM 0 H GLU A 22 -1.843 -23.662 -5.890 1.00 0.14 H new ATOM 0 HA GLU A 22 -3.863 -21.939 -4.796 1.00 0.11 H new ATOM 0 HB2 GLU A 22 -4.141 -24.642 -3.961 1.00 0.14 H new ATOM 0 HB3 GLU A 22 -3.337 -23.797 -2.653 1.00 0.14 H new ATOM 0 HG2 GLU A 22 -5.138 -22.292 -2.331 1.00 0.20 H new ATOM 0 HG3 GLU A 22 -5.732 -22.483 -3.968 1.00 0.20 H new ATOM 347 N LEU A 23 -1.783 -21.186 -3.316 1.00 0.08 N ATOM 348 CA LEU A 23 -0.428 -20.738 -2.810 1.00 0.08 C ATOM 349 C LEU A 23 -0.456 -20.395 -1.334 1.00 0.15 C ATOM 350 O LEU A 23 -1.501 -20.157 -0.785 1.00 0.17 O ATOM 351 CB LEU A 23 0.062 -19.464 -3.521 1.00 0.08 C ATOM 352 CG LEU A 23 -0.618 -19.272 -4.881 1.00 0.06 C ATOM 353 CD1 LEU A 23 -1.272 -17.882 -5.010 1.00 0.09 C ATOM 354 CD2 LEU A 23 0.458 -19.455 -5.949 1.00 0.12 C ATOM 0 H LEU A 23 -2.572 -20.589 -3.069 1.00 0.08 H new ATOM 0 HA LEU A 23 0.234 -21.581 -3.008 1.00 0.08 H new ATOM 0 HB2 LEU A 23 -0.136 -18.597 -2.890 1.00 0.08 H new ATOM 0 HB3 LEU A 23 1.142 -19.518 -3.659 1.00 0.08 H new ATOM 0 HG LEU A 23 -1.421 -20.000 -4.997 1.00 0.06 H new ATOM 0 HD11 LEU A 23 -1.742 -17.790 -5.989 1.00 0.09 H new ATOM 0 HD12 LEU A 23 -2.027 -17.761 -4.233 1.00 0.09 H new ATOM 0 HD13 LEU A 23 -0.511 -17.110 -4.899 1.00 0.09 H new ATOM 0 HD21 LEU A 23 0.016 -19.326 -6.937 1.00 0.12 H new ATOM 0 HD22 LEU A 23 1.244 -18.714 -5.804 1.00 0.12 H new ATOM 0 HD23 LEU A 23 0.883 -20.455 -5.869 1.00 0.12 H new ATOM 366 N THR A 24 0.716 -20.290 -0.752 1.00 0.18 N ATOM 367 CA THR A 24 0.808 -19.958 0.688 1.00 0.24 C ATOM 368 C THR A 24 0.884 -18.471 0.852 1.00 0.27 C ATOM 369 O THR A 24 1.450 -17.969 1.806 1.00 0.32 O ATOM 370 CB THR A 24 2.086 -20.557 1.274 1.00 0.24 C ATOM 371 OG1 THR A 24 2.098 -20.162 2.636 1.00 0.22 O ATOM 372 CG2 THR A 24 3.316 -19.873 0.689 1.00 0.27 C ATOM 0 H THR A 24 1.611 -20.422 -1.223 1.00 0.18 H new ATOM 0 HA THR A 24 -0.069 -20.358 1.198 1.00 0.24 H new ATOM 0 HB THR A 24 2.106 -21.631 1.089 1.00 0.24 H new ATOM 0 HG1 THR A 24 2.223 -19.192 2.694 1.00 0.22 H new ATOM 0 HG21 THR A 24 4.216 -20.313 1.118 1.00 0.27 H new ATOM 0 HG22 THR A 24 3.327 -20.007 -0.393 1.00 0.27 H new ATOM 0 HG23 THR A 24 3.286 -18.809 0.922 1.00 0.27 H new ATOM 380 N PHE A 25 0.337 -17.797 -0.102 1.00 0.25 N ATOM 381 CA PHE A 25 0.358 -16.334 -0.033 1.00 0.28 C ATOM 382 C PHE A 25 -0.015 -15.911 1.384 1.00 0.32 C ATOM 383 O PHE A 25 -0.831 -16.547 2.024 1.00 0.30 O ATOM 384 CB PHE A 25 -0.606 -15.794 -1.068 1.00 0.23 C ATOM 385 CG PHE A 25 -1.999 -16.345 -0.838 1.00 0.18 C ATOM 386 CD1 PHE A 25 -2.815 -15.820 0.138 1.00 0.19 C ATOM 387 CD2 PHE A 25 -2.483 -17.327 -1.662 1.00 0.15 C ATOM 388 CE1 PHE A 25 -4.108 -16.277 0.271 1.00 0.17 C ATOM 389 CE2 PHE A 25 -3.750 -17.781 -1.547 1.00 0.13 C ATOM 390 CZ PHE A 25 -4.577 -17.261 -0.573 1.00 0.14 C ATOM 0 H PHE A 25 -0.121 -18.196 -0.921 1.00 0.25 H new ATOM 0 HA PHE A 25 1.347 -15.931 -0.252 1.00 0.28 H new ATOM 0 HB2 PHE A 25 -0.627 -14.705 -1.020 1.00 0.23 H new ATOM 0 HB3 PHE A 25 -0.263 -16.062 -2.067 1.00 0.23 H new ATOM 0 HD1 PHE A 25 -2.442 -15.051 0.799 1.00 0.19 H new ATOM 0 HD2 PHE A 25 -1.838 -17.747 -2.419 1.00 0.15 H new ATOM 0 HE1 PHE A 25 -4.752 -15.866 1.034 1.00 0.17 H new ATOM 0 HE2 PHE A 25 -4.114 -18.548 -2.215 1.00 0.13 H new ATOM 0 HZ PHE A 25 -5.589 -17.624 -0.472 1.00 0.14 H new ATOM 400 N ILE A 26 0.568 -14.845 1.840 1.00 0.39 N ATOM 401 CA ILE A 26 0.265 -14.377 3.221 1.00 0.40 C ATOM 402 C ILE A 26 -0.681 -13.189 3.280 1.00 0.27 C ATOM 403 O ILE A 26 -1.093 -12.651 2.274 1.00 0.26 O ATOM 404 CB ILE A 26 1.596 -13.977 3.870 1.00 0.53 C ATOM 405 CG1 ILE A 26 2.487 -13.218 2.873 1.00 0.53 C ATOM 406 CG2 ILE A 26 2.315 -15.265 4.293 1.00 0.47 C ATOM 407 CD1 ILE A 26 1.797 -11.918 2.450 1.00 2.66 C ATOM 0 H ILE A 26 1.239 -14.277 1.322 1.00 0.39 H new ATOM 0 HA ILE A 26 -0.237 -15.192 3.742 1.00 0.40 H new ATOM 0 HB ILE A 26 1.403 -13.327 4.723 1.00 0.53 H new ATOM 0 HG12 ILE A 26 3.452 -12.997 3.328 1.00 0.53 H new ATOM 0 HG13 ILE A 26 2.682 -13.839 1.999 1.00 0.53 H new ATOM 0 HG21 ILE A 26 3.268 -15.014 4.759 1.00 0.47 H new ATOM 0 HG22 ILE A 26 1.695 -15.811 5.005 1.00 0.47 H new ATOM 0 HG23 ILE A 26 2.493 -15.887 3.416 1.00 0.47 H new ATOM 0 HD11 ILE A 26 2.431 -11.383 1.743 1.00 2.66 H new ATOM 0 HD12 ILE A 26 0.843 -12.150 1.977 1.00 2.66 H new ATOM 0 HD13 ILE A 26 1.625 -11.295 3.328 1.00 2.66 H new ATOM 419 N LYS A 27 -1.021 -12.815 4.489 1.00 0.25 N ATOM 420 CA LYS A 27 -1.931 -11.672 4.659 1.00 0.13 C ATOM 421 C LYS A 27 -1.227 -10.412 4.225 1.00 0.25 C ATOM 422 O LYS A 27 -0.347 -9.930 4.902 1.00 0.68 O ATOM 423 CB LYS A 27 -2.323 -11.547 6.143 1.00 0.08 C ATOM 424 CG LYS A 27 -2.980 -10.174 6.426 1.00 0.28 C ATOM 425 CD LYS A 27 -2.098 -9.391 7.406 1.00 0.68 C ATOM 426 CE LYS A 27 -2.106 -10.092 8.769 1.00 0.98 C ATOM 427 NZ LYS A 27 -2.700 -9.199 9.803 1.00 1.33 N ATOM 0 H LYS A 27 -0.703 -13.257 5.352 1.00 0.25 H new ATOM 0 HA LYS A 27 -2.826 -11.823 4.056 1.00 0.13 H new ATOM 0 HB2 LYS A 27 -3.013 -12.347 6.410 1.00 0.08 H new ATOM 0 HB3 LYS A 27 -1.439 -11.667 6.769 1.00 0.08 H new ATOM 0 HG2 LYS A 27 -3.099 -9.615 5.498 1.00 0.28 H new ATOM 0 HG3 LYS A 27 -3.977 -10.313 6.845 1.00 0.28 H new ATOM 0 HD2 LYS A 27 -1.079 -9.326 7.024 1.00 0.68 H new ATOM 0 HD3 LYS A 27 -2.466 -8.370 7.508 1.00 0.68 H new ATOM 0 HE2 LYS A 27 -2.677 -11.018 8.706 1.00 0.98 H new ATOM 0 HE3 LYS A 27 -1.089 -10.363 9.053 1.00 0.98 H new ATOM 0 HZ1 LYS A 27 -2.700 -9.685 10.723 1.00 1.33 H new ATOM 0 HZ2 LYS A 27 -2.138 -8.327 9.872 1.00 1.33 H new ATOM 0 HZ3 LYS A 27 -3.677 -8.961 9.537 1.00 1.33 H new ATOM 441 N SER A 28 -1.661 -9.944 3.096 1.00 0.18 N ATOM 442 CA SER A 28 -1.121 -8.709 2.467 1.00 0.14 C ATOM 443 C SER A 28 -0.807 -8.971 1.002 1.00 0.23 C ATOM 444 O SER A 28 -0.693 -8.050 0.216 1.00 0.38 O ATOM 445 CB SER A 28 0.173 -8.224 3.143 1.00 0.27 C ATOM 446 OG SER A 28 0.644 -7.205 2.272 1.00 0.73 O ATOM 0 H SER A 28 -2.404 -10.388 2.556 1.00 0.18 H new ATOM 0 HA SER A 28 -1.886 -7.941 2.580 1.00 0.14 H new ATOM 0 HB2 SER A 28 -0.018 -7.838 4.144 1.00 0.27 H new ATOM 0 HB3 SER A 28 0.899 -9.031 3.245 1.00 0.27 H new ATOM 0 HG SER A 28 0.029 -7.111 1.515 1.00 0.73 H new ATOM 452 N ALA A 29 -0.655 -10.230 0.664 1.00 0.24 N ATOM 453 CA ALA A 29 -0.348 -10.575 -0.750 1.00 0.33 C ATOM 454 C ALA A 29 -1.215 -9.737 -1.671 1.00 0.37 C ATOM 455 O ALA A 29 -2.258 -9.287 -1.260 1.00 0.65 O ATOM 456 CB ALA A 29 -0.685 -12.052 -0.975 1.00 0.49 C ATOM 0 H ALA A 29 -0.730 -11.022 1.302 1.00 0.24 H new ATOM 0 HA ALA A 29 0.705 -10.385 -0.958 1.00 0.33 H new ATOM 0 HB1 ALA A 29 -0.466 -12.322 -2.008 1.00 0.49 H new ATOM 0 HB2 ALA A 29 -0.086 -12.668 -0.304 1.00 0.49 H new ATOM 0 HB3 ALA A 29 -1.743 -12.219 -0.773 1.00 0.49 H new ATOM 462 N ILE A 30 -0.777 -9.528 -2.881 1.00 0.37 N ATOM 463 CA ILE A 30 -1.596 -8.714 -3.813 1.00 0.39 C ATOM 464 C ILE A 30 -1.671 -9.399 -5.175 1.00 0.57 C ATOM 465 O ILE A 30 -1.248 -8.864 -6.180 1.00 1.37 O ATOM 466 CB ILE A 30 -0.932 -7.346 -3.971 1.00 0.32 C ATOM 467 CG1 ILE A 30 -0.300 -6.905 -2.648 1.00 0.26 C ATOM 468 CG2 ILE A 30 -2.022 -6.334 -4.350 1.00 0.35 C ATOM 469 CD1 ILE A 30 0.263 -5.489 -2.807 1.00 0.15 C ATOM 0 H ILE A 30 0.102 -9.882 -3.259 1.00 0.37 H new ATOM 0 HA ILE A 30 -2.606 -8.604 -3.417 1.00 0.39 H new ATOM 0 HB ILE A 30 -0.156 -7.402 -4.735 1.00 0.32 H new ATOM 0 HG12 ILE A 30 -1.043 -6.927 -1.851 1.00 0.26 H new ATOM 0 HG13 ILE A 30 0.494 -7.595 -2.362 1.00 0.26 H new ATOM 0 HG21 ILE A 30 -1.576 -5.347 -4.470 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -2.490 -6.637 -5.287 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -2.775 -6.299 -3.563 1.00 0.35 H new ATOM 0 HD11 ILE A 30 0.714 -5.169 -1.868 1.00 0.15 H new ATOM 0 HD12 ILE A 30 1.018 -5.484 -3.593 1.00 0.15 H new ATOM 0 HD13 ILE A 30 -0.543 -4.805 -3.074 1.00 0.15 H new ATOM 481 N ILE A 31 -2.217 -10.575 -5.170 1.00 0.18 N ATOM 482 CA ILE A 31 -2.343 -11.339 -6.434 1.00 0.10 C ATOM 483 C ILE A 31 -2.973 -10.477 -7.538 1.00 0.08 C ATOM 484 O ILE A 31 -3.836 -9.669 -7.267 1.00 0.22 O ATOM 485 CB ILE A 31 -3.219 -12.559 -6.153 1.00 0.19 C ATOM 486 CG1 ILE A 31 -2.627 -13.362 -4.968 1.00 0.26 C ATOM 487 CG2 ILE A 31 -3.261 -13.418 -7.435 1.00 0.21 C ATOM 488 CD1 ILE A 31 -3.755 -13.785 -4.029 1.00 0.69 C ATOM 0 H ILE A 31 -2.584 -11.043 -4.341 1.00 0.18 H new ATOM 0 HA ILE A 31 -1.357 -11.644 -6.783 1.00 0.10 H new ATOM 0 HB ILE A 31 -4.231 -12.258 -5.881 1.00 0.19 H new ATOM 0 HG12 ILE A 31 -2.098 -14.240 -5.338 1.00 0.26 H new ATOM 0 HG13 ILE A 31 -1.899 -12.754 -4.430 1.00 0.26 H new ATOM 0 HG21 ILE A 31 -3.881 -14.298 -7.263 1.00 0.21 H new ATOM 0 HG22 ILE A 31 -3.682 -12.832 -8.252 1.00 0.21 H new ATOM 0 HG23 ILE A 31 -2.250 -13.732 -7.696 1.00 0.21 H new ATOM 0 HD11 ILE A 31 -3.341 -14.350 -3.194 1.00 0.69 H new ATOM 0 HD12 ILE A 31 -4.264 -12.899 -3.650 1.00 0.69 H new ATOM 0 HD13 ILE A 31 -4.466 -14.408 -4.572 1.00 0.69 H new ATOM 500 N GLN A 32 -2.534 -10.675 -8.767 1.00 0.16 N ATOM 501 CA GLN A 32 -3.095 -9.875 -9.901 1.00 0.22 C ATOM 502 C GLN A 32 -3.872 -10.775 -10.860 1.00 0.19 C ATOM 503 O GLN A 32 -3.951 -11.968 -10.639 1.00 0.30 O ATOM 504 CB GLN A 32 -1.923 -9.233 -10.654 1.00 0.41 C ATOM 505 CG GLN A 32 -1.271 -8.184 -9.750 1.00 0.66 C ATOM 506 CD GLN A 32 0.212 -8.510 -9.575 1.00 1.35 C ATOM 507 OE1 GLN A 32 0.903 -8.846 -10.515 1.00 1.53 O ATOM 508 NE2 GLN A 32 0.740 -8.427 -8.384 1.00 2.54 N ATOM 0 H GLN A 32 -1.817 -11.352 -9.027 1.00 0.16 H new ATOM 0 HA GLN A 32 -3.774 -9.116 -9.512 1.00 0.22 H new ATOM 0 HB2 GLN A 32 -1.194 -9.993 -10.937 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -2.275 -8.770 -11.576 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -1.387 -7.191 -10.185 1.00 0.66 H new ATOM 0 HG3 GLN A 32 -1.767 -8.166 -8.780 1.00 0.66 H new ATOM 0 HE21 GLN A 32 0.165 -8.145 -7.590 1.00 2.54 H new ATOM 0 HE22 GLN A 32 1.727 -8.644 -8.248 1.00 2.54 H new ATOM 517 N ASN A 33 -4.413 -10.202 -11.916 1.00 0.40 N ATOM 518 CA ASN A 33 -5.184 -11.046 -12.874 1.00 0.50 C ATOM 519 C ASN A 33 -6.092 -11.946 -12.043 1.00 0.44 C ATOM 520 O ASN A 33 -5.942 -13.149 -11.997 1.00 0.57 O ATOM 521 CB ASN A 33 -4.190 -11.882 -13.698 1.00 0.57 C ATOM 522 CG ASN A 33 -4.163 -11.353 -15.131 1.00 0.70 C ATOM 523 OD1 ASN A 33 -5.177 -11.286 -15.798 1.00 1.40 O ATOM 524 ND2 ASN A 33 -3.027 -10.966 -15.642 1.00 2.53 N ATOM 0 H ASN A 33 -4.353 -9.210 -12.147 1.00 0.40 H new ATOM 0 HA ASN A 33 -5.782 -10.447 -13.561 1.00 0.50 H new ATOM 0 HB2 ASN A 33 -3.195 -11.826 -13.257 1.00 0.57 H new ATOM 0 HB3 ASN A 33 -4.483 -12.932 -13.690 1.00 0.57 H new ATOM 0 HD21 ASN A 33 -2.993 -10.609 -16.597 1.00 2.53 H new ATOM 0 HD22 ASN A 33 -2.173 -11.020 -15.087 1.00 2.53 H new ATOM 531 N VAL A 34 -7.020 -11.317 -11.391 1.00 0.70 N ATOM 532 CA VAL A 34 -7.963 -12.067 -10.535 1.00 0.70 C ATOM 533 C VAL A 34 -9.330 -12.346 -11.165 1.00 0.69 C ATOM 534 O VAL A 34 -9.790 -11.620 -12.018 1.00 0.69 O ATOM 535 CB VAL A 34 -8.141 -11.197 -9.300 1.00 0.70 C ATOM 536 CG1 VAL A 34 -9.187 -10.118 -9.570 1.00 1.76 C ATOM 537 CG2 VAL A 34 -8.598 -12.048 -8.140 1.00 0.93 C ATOM 0 H VAL A 34 -7.166 -10.308 -11.416 1.00 0.70 H new ATOM 0 HA VAL A 34 -7.552 -13.057 -10.338 1.00 0.70 H new ATOM 0 HB VAL A 34 -7.187 -10.727 -9.059 1.00 0.70 H new ATOM 0 HG11 VAL A 34 -9.309 -9.499 -8.681 1.00 1.76 H new ATOM 0 HG12 VAL A 34 -8.861 -9.496 -10.404 1.00 1.76 H new ATOM 0 HG13 VAL A 34 -10.139 -10.588 -9.818 1.00 1.76 H new ATOM 0 HG21 VAL A 34 -8.725 -11.422 -7.257 1.00 0.93 H new ATOM 0 HG22 VAL A 34 -9.548 -12.522 -8.388 1.00 0.93 H new ATOM 0 HG23 VAL A 34 -7.852 -12.816 -7.936 1.00 0.93 H new ATOM 547 N GLU A 35 -9.938 -13.415 -10.690 1.00 0.69 N ATOM 548 CA GLU A 35 -11.284 -13.843 -11.184 1.00 0.67 C ATOM 549 C GLU A 35 -11.755 -15.062 -10.376 1.00 0.74 C ATOM 550 O GLU A 35 -11.024 -16.017 -10.224 1.00 1.16 O ATOM 551 CB GLU A 35 -11.175 -14.249 -12.660 1.00 0.70 C ATOM 552 CG GLU A 35 -11.905 -13.220 -13.538 1.00 1.17 C ATOM 553 CD GLU A 35 -13.413 -13.299 -13.290 1.00 1.82 C ATOM 554 OE1 GLU A 35 -14.000 -14.235 -13.809 1.00 2.46 O ATOM 555 OE2 GLU A 35 -13.894 -12.411 -12.605 1.00 3.59 O ATOM 0 H GLU A 35 -9.545 -14.017 -9.966 1.00 0.69 H new ATOM 0 HA GLU A 35 -11.991 -13.021 -11.071 1.00 0.67 H new ATOM 0 HB2 GLU A 35 -10.127 -14.312 -12.953 1.00 0.70 H new ATOM 0 HB3 GLU A 35 -11.608 -15.239 -12.807 1.00 0.70 H new ATOM 0 HG2 GLU A 35 -11.543 -12.216 -13.314 1.00 1.17 H new ATOM 0 HG3 GLU A 35 -11.690 -13.409 -14.590 1.00 1.17 H new ATOM 562 N LYS A 36 -12.968 -15.013 -9.886 1.00 0.52 N ATOM 563 CA LYS A 36 -13.489 -16.167 -9.087 1.00 0.52 C ATOM 564 C LYS A 36 -13.699 -17.389 -9.964 1.00 0.49 C ATOM 565 O LYS A 36 -13.619 -17.313 -11.175 1.00 0.70 O ATOM 566 CB LYS A 36 -14.829 -15.777 -8.433 1.00 0.50 C ATOM 567 CG LYS A 36 -15.315 -14.425 -8.970 1.00 0.87 C ATOM 568 CD LYS A 36 -14.409 -13.294 -8.467 1.00 2.51 C ATOM 569 CE LYS A 36 -15.227 -12.355 -7.579 1.00 1.33 C ATOM 570 NZ LYS A 36 -16.428 -11.867 -8.312 1.00 0.41 N ATOM 0 H LYS A 36 -13.615 -14.233 -10.002 1.00 0.52 H new ATOM 0 HA LYS A 36 -12.753 -16.411 -8.321 1.00 0.52 H new ATOM 0 HB2 LYS A 36 -15.576 -16.545 -8.635 1.00 0.50 H new ATOM 0 HB3 LYS A 36 -14.710 -15.724 -7.351 1.00 0.50 H new ATOM 0 HG2 LYS A 36 -15.319 -14.439 -10.060 1.00 0.87 H new ATOM 0 HG3 LYS A 36 -16.342 -14.247 -8.650 1.00 0.87 H new ATOM 0 HD2 LYS A 36 -13.570 -13.706 -7.906 1.00 2.51 H new ATOM 0 HD3 LYS A 36 -13.990 -12.744 -9.310 1.00 2.51 H new ATOM 0 HE2 LYS A 36 -15.533 -12.876 -6.672 1.00 1.33 H new ATOM 0 HE3 LYS A 36 -14.613 -11.509 -7.269 1.00 1.33 H new ATOM 0 HZ1 LYS A 36 -16.611 -10.876 -8.057 1.00 0.41 H new ATOM 0 HZ2 LYS A 36 -16.261 -11.936 -9.336 1.00 0.41 H new ATOM 0 HZ3 LYS A 36 -17.251 -12.448 -8.055 1.00 0.41 H new ATOM 584 N GLN A 37 -13.947 -18.501 -9.327 1.00 0.33 N ATOM 585 CA GLN A 37 -14.166 -19.752 -10.094 1.00 0.33 C ATOM 586 C GLN A 37 -14.682 -20.867 -9.179 1.00 0.57 C ATOM 587 O GLN A 37 -14.726 -20.717 -7.974 1.00 0.66 O ATOM 588 CB GLN A 37 -12.813 -20.171 -10.695 1.00 0.31 C ATOM 589 CG GLN A 37 -13.040 -20.909 -12.022 1.00 0.49 C ATOM 590 CD GLN A 37 -12.917 -19.935 -13.194 1.00 1.21 C ATOM 591 OE1 GLN A 37 -12.735 -20.413 -14.397 1.00 1.25 O flip ATOM 592 NE2 GLN A 37 -12.985 -18.733 -13.028 1.00 1.87 N flip ATOM 0 H GLN A 37 -14.007 -18.594 -8.313 1.00 0.33 H new ATOM 0 HA GLN A 37 -14.909 -19.583 -10.873 1.00 0.33 H new ATOM 0 HB2 GLN A 37 -12.190 -19.292 -10.859 1.00 0.31 H new ATOM 0 HB3 GLN A 37 -12.278 -20.815 -9.997 1.00 0.31 H new ATOM 0 HG2 GLN A 37 -12.311 -21.713 -12.129 1.00 0.49 H new ATOM 0 HG3 GLN A 37 -14.027 -21.371 -12.026 1.00 0.49 H new ATOM 0 HE21 GLN A 37 -13.127 -18.355 -12.091 1.00 1.87 H new ATOM 0 HE22 GLN A 37 -12.900 -18.102 -13.825 1.00 1.87 H new ATOM 601 N GLU A 38 -15.067 -21.962 -9.779 1.00 1.00 N ATOM 602 CA GLU A 38 -15.588 -23.107 -8.986 1.00 1.28 C ATOM 603 C GLU A 38 -16.661 -22.652 -8.007 1.00 0.73 C ATOM 604 O GLU A 38 -17.056 -23.382 -7.118 1.00 0.81 O ATOM 605 CB GLU A 38 -14.422 -23.732 -8.217 1.00 1.79 C ATOM 606 CG GLU A 38 -13.709 -24.763 -9.100 1.00 2.54 C ATOM 607 CD GLU A 38 -14.224 -26.160 -8.760 1.00 3.28 C ATOM 608 OE1 GLU A 38 -15.435 -26.305 -8.771 1.00 3.51 O ATOM 609 OE2 GLU A 38 -13.381 -27.004 -8.503 1.00 3.73 O ATOM 0 H GLU A 38 -15.042 -22.111 -10.788 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.037 -23.835 -9.661 1.00 1.28 H new ATOM 0 HB2 GLU A 38 -13.721 -22.957 -7.909 1.00 1.79 H new ATOM 0 HB3 GLU A 38 -14.788 -24.210 -7.308 1.00 1.79 H new ATOM 0 HG2 GLU A 38 -13.888 -24.543 -10.153 1.00 2.54 H new ATOM 0 HG3 GLU A 38 -12.632 -24.711 -8.942 1.00 2.54 H new ATOM 616 N GLY A 39 -17.103 -21.444 -8.200 1.00 0.38 N ATOM 617 CA GLY A 39 -18.160 -20.879 -7.309 1.00 0.54 C ATOM 618 C GLY A 39 -17.577 -19.821 -6.374 1.00 0.35 C ATOM 619 O GLY A 39 -18.204 -18.815 -6.100 1.00 0.90 O ATOM 0 H GLY A 39 -16.779 -20.818 -8.938 1.00 0.38 H new ATOM 0 HA2 GLY A 39 -18.953 -20.439 -7.913 1.00 0.54 H new ATOM 0 HA3 GLY A 39 -18.612 -21.679 -6.723 1.00 0.54 H new ATOM 623 N GLY A 40 -16.386 -20.062 -5.902 1.00 0.82 N ATOM 624 CA GLY A 40 -15.764 -19.068 -4.985 1.00 0.59 C ATOM 625 C GLY A 40 -14.259 -19.311 -4.842 1.00 0.41 C ATOM 626 O GLY A 40 -13.755 -19.407 -3.740 1.00 0.34 O ATOM 0 H GLY A 40 -15.825 -20.889 -6.107 1.00 0.82 H new ATOM 0 HA2 GLY A 40 -15.938 -18.061 -5.364 1.00 0.59 H new ATOM 0 HA3 GLY A 40 -16.239 -19.126 -4.006 1.00 0.59 H new ATOM 630 N TRP A 41 -13.575 -19.406 -5.958 1.00 0.41 N ATOM 631 CA TRP A 41 -12.100 -19.639 -5.911 1.00 0.32 C ATOM 632 C TRP A 41 -11.492 -18.644 -6.860 1.00 0.36 C ATOM 633 O TRP A 41 -11.987 -18.454 -7.942 1.00 0.43 O ATOM 634 CB TRP A 41 -11.816 -21.098 -6.238 1.00 0.44 C ATOM 635 CG TRP A 41 -12.411 -21.842 -5.044 1.00 0.42 C ATOM 636 CD1 TRP A 41 -13.727 -22.074 -4.903 1.00 0.43 C ATOM 637 CD2 TRP A 41 -11.812 -21.968 -3.847 1.00 0.39 C ATOM 638 NE1 TRP A 41 -13.881 -22.302 -3.599 1.00 0.41 N ATOM 639 CE2 TRP A 41 -12.748 -22.244 -2.865 1.00 0.36 C ATOM 640 CE3 TRP A 41 -10.482 -21.842 -3.499 1.00 0.37 C ATOM 641 CZ2 TRP A 41 -12.365 -22.359 -1.543 1.00 0.31 C ATOM 642 CZ3 TRP A 41 -10.095 -21.971 -2.182 1.00 0.31 C ATOM 643 CH2 TRP A 41 -11.042 -22.225 -1.195 1.00 0.28 C ATOM 0 H TRP A 41 -13.974 -19.332 -6.894 1.00 0.41 H new ATOM 0 HA TRP A 41 -11.656 -19.481 -4.928 1.00 0.32 H new ATOM 0 HB2 TRP A 41 -12.284 -21.400 -7.175 1.00 0.44 H new ATOM 0 HB3 TRP A 41 -10.747 -21.288 -6.340 1.00 0.44 H new ATOM 0 HD1 TRP A 41 -14.486 -22.075 -5.671 1.00 0.43 H new ATOM 0 HE1 TRP A 41 -14.790 -22.506 -3.184 1.00 0.41 H new ATOM 0 HE3 TRP A 41 -9.743 -21.642 -4.260 1.00 0.37 H new ATOM 0 HZ2 TRP A 41 -13.106 -22.554 -0.782 1.00 0.31 H new ATOM 0 HZ3 TRP A 41 -9.053 -21.875 -1.916 1.00 0.31 H new ATOM 0 HH2 TRP A 41 -10.740 -22.316 -0.162 1.00 0.28 H new ATOM 654 N TRP A 42 -10.419 -18.043 -6.448 1.00 0.37 N ATOM 655 CA TRP A 42 -9.776 -17.028 -7.303 1.00 0.38 C ATOM 656 C TRP A 42 -8.427 -17.373 -7.937 1.00 0.47 C ATOM 657 O TRP A 42 -7.526 -17.812 -7.262 1.00 1.01 O ATOM 658 CB TRP A 42 -9.483 -15.905 -6.320 1.00 0.31 C ATOM 659 CG TRP A 42 -10.777 -15.374 -5.709 1.00 0.25 C ATOM 660 CD1 TRP A 42 -11.820 -16.144 -5.353 1.00 0.24 C ATOM 661 CD2 TRP A 42 -11.108 -14.105 -5.648 1.00 0.22 C ATOM 662 NE1 TRP A 42 -12.779 -15.253 -5.152 1.00 0.23 N ATOM 663 CE2 TRP A 42 -12.425 -13.976 -5.298 1.00 0.21 C ATOM 664 CE3 TRP A 42 -10.317 -13.002 -5.774 1.00 0.26 C ATOM 665 CZ2 TRP A 42 -12.980 -12.752 -5.089 1.00 0.19 C ATOM 666 CZ3 TRP A 42 -10.869 -11.749 -5.555 1.00 0.23 C ATOM 667 CH2 TRP A 42 -12.204 -11.627 -5.216 1.00 0.17 C ATOM 0 H TRP A 42 -9.961 -18.214 -5.553 1.00 0.37 H new ATOM 0 HA TRP A 42 -10.440 -16.845 -8.148 1.00 0.38 H new ATOM 0 HB2 TRP A 42 -8.824 -16.268 -5.531 1.00 0.31 H new ATOM 0 HB3 TRP A 42 -8.957 -15.097 -6.829 1.00 0.31 H new ATOM 0 HD1 TRP A 42 -11.865 -17.219 -5.255 1.00 0.24 H new ATOM 0 HE1 TRP A 42 -13.729 -15.527 -4.901 1.00 0.23 H new ATOM 0 HE3 TRP A 42 -9.275 -13.103 -6.041 1.00 0.26 H new ATOM 0 HZ2 TRP A 42 -14.024 -12.666 -4.825 1.00 0.19 H new ATOM 0 HZ3 TRP A 42 -10.255 -10.866 -5.649 1.00 0.23 H new ATOM 0 HH2 TRP A 42 -12.634 -10.650 -5.052 1.00 0.17 H new ATOM 678 N ARG A 43 -8.297 -17.085 -9.215 1.00 0.32 N ATOM 679 CA ARG A 43 -7.009 -17.378 -9.907 1.00 0.28 C ATOM 680 C ARG A 43 -6.196 -16.086 -10.017 1.00 0.23 C ATOM 681 O ARG A 43 -6.663 -15.041 -9.629 1.00 0.25 O ATOM 682 CB ARG A 43 -7.261 -17.902 -11.317 1.00 0.36 C ATOM 683 CG ARG A 43 -6.786 -19.351 -11.373 1.00 0.36 C ATOM 684 CD ARG A 43 -7.057 -19.953 -12.751 1.00 0.53 C ATOM 685 NE ARG A 43 -6.502 -21.346 -12.763 1.00 0.83 N ATOM 686 CZ ARG A 43 -5.704 -21.746 -13.724 1.00 1.82 C ATOM 687 NH1 ARG A 43 -5.014 -20.870 -14.402 1.00 3.47 N ATOM 688 NH2 ARG A 43 -5.602 -23.026 -13.958 1.00 1.28 N ATOM 0 H ARG A 43 -9.021 -16.665 -9.797 1.00 0.32 H new ATOM 0 HA ARG A 43 -6.471 -18.131 -9.332 1.00 0.28 H new ATOM 0 HB2 ARG A 43 -8.321 -17.839 -11.563 1.00 0.36 H new ATOM 0 HB3 ARG A 43 -6.727 -17.297 -12.050 1.00 0.36 H new ATOM 0 HG2 ARG A 43 -5.720 -19.399 -11.153 1.00 0.36 H new ATOM 0 HG3 ARG A 43 -7.296 -19.936 -10.608 1.00 0.36 H new ATOM 0 HD2 ARG A 43 -8.127 -19.967 -12.957 1.00 0.53 H new ATOM 0 HD3 ARG A 43 -6.590 -19.350 -13.529 1.00 0.53 H new ATOM 0 HE ARG A 43 -6.749 -21.992 -12.013 1.00 0.83 H new ATOM 0 HH11 ARG A 43 -5.096 -19.877 -14.184 1.00 3.47 H new ATOM 0 HH12 ARG A 43 -4.393 -21.178 -15.150 1.00 3.47 H new ATOM 0 HH21 ARG A 43 -6.136 -23.691 -13.399 1.00 1.28 H new ATOM 0 HH22 ARG A 43 -4.988 -23.361 -14.700 1.00 1.28 H new ATOM 702 N GLY A 44 -4.994 -16.172 -10.541 1.00 0.19 N ATOM 703 CA GLY A 44 -4.144 -14.952 -10.671 1.00 0.18 C ATOM 704 C GLY A 44 -2.704 -15.309 -10.281 1.00 0.26 C ATOM 705 O GLY A 44 -2.468 -16.181 -9.465 1.00 0.36 O ATOM 0 H GLY A 44 -4.569 -17.034 -10.882 1.00 0.19 H new ATOM 0 HA2 GLY A 44 -4.176 -14.577 -11.694 1.00 0.18 H new ATOM 0 HA3 GLY A 44 -4.523 -14.158 -10.028 1.00 0.18 H new ATOM 709 N ASP A 45 -1.785 -14.621 -10.872 1.00 0.23 N ATOM 710 CA ASP A 45 -0.338 -14.873 -10.588 1.00 0.30 C ATOM 711 C ASP A 45 0.119 -14.466 -9.173 1.00 0.26 C ATOM 712 O ASP A 45 -0.374 -13.520 -8.590 1.00 0.35 O ATOM 713 CB ASP A 45 0.473 -14.074 -11.617 1.00 0.35 C ATOM 714 CG ASP A 45 1.932 -14.524 -11.572 1.00 1.88 C ATOM 715 OD1 ASP A 45 2.163 -15.548 -10.953 1.00 2.47 O ATOM 716 OD2 ASP A 45 2.735 -13.824 -12.168 1.00 3.22 O ATOM 0 H ASP A 45 -1.966 -13.882 -11.551 1.00 0.23 H new ATOM 0 HA ASP A 45 -0.177 -15.949 -10.653 1.00 0.30 H new ATOM 0 HB2 ASP A 45 0.065 -14.226 -12.616 1.00 0.35 H new ATOM 0 HB3 ASP A 45 0.403 -13.008 -11.403 1.00 0.35 H new ATOM 721 N TYR A 46 1.072 -15.221 -8.667 1.00 0.26 N ATOM 722 CA TYR A 46 1.635 -14.965 -7.302 1.00 0.34 C ATOM 723 C TYR A 46 2.907 -15.791 -7.130 1.00 0.56 C ATOM 724 O TYR A 46 3.131 -16.383 -6.092 1.00 0.61 O ATOM 725 CB TYR A 46 0.643 -15.443 -6.238 1.00 0.30 C ATOM 726 CG TYR A 46 1.058 -14.834 -4.898 1.00 0.34 C ATOM 727 CD1 TYR A 46 1.089 -13.464 -4.764 1.00 0.34 C ATOM 728 CD2 TYR A 46 1.561 -15.619 -3.860 1.00 0.39 C ATOM 729 CE1 TYR A 46 1.622 -12.882 -3.651 1.00 0.38 C ATOM 730 CE2 TYR A 46 2.099 -15.020 -2.744 1.00 0.43 C ATOM 731 CZ TYR A 46 2.133 -13.649 -2.628 1.00 0.43 C ATOM 732 OH TYR A 46 2.653 -13.052 -1.497 1.00 0.47 O ATOM 0 H TYR A 46 1.488 -16.016 -9.153 1.00 0.26 H new ATOM 0 HA TYR A 46 1.833 -13.899 -7.194 1.00 0.34 H new ATOM 0 HB2 TYR A 46 -0.371 -15.138 -6.498 1.00 0.30 H new ATOM 0 HB3 TYR A 46 0.643 -16.531 -6.178 1.00 0.30 H new ATOM 0 HD1 TYR A 46 0.686 -12.842 -5.550 1.00 0.34 H new ATOM 0 HD2 TYR A 46 1.528 -16.696 -3.932 1.00 0.39 H new ATOM 0 HE1 TYR A 46 1.643 -11.805 -3.571 1.00 0.38 H new ATOM 0 HE2 TYR A 46 2.499 -15.633 -1.950 1.00 0.43 H new ATOM 0 HH TYR A 46 2.968 -13.743 -0.878 1.00 0.47 H new ATOM 742 N GLY A 47 3.717 -15.813 -8.153 1.00 0.70 N ATOM 743 CA GLY A 47 4.979 -16.603 -8.067 1.00 0.95 C ATOM 744 C GLY A 47 4.663 -18.050 -8.454 1.00 2.02 C ATOM 745 O GLY A 47 3.658 -18.298 -9.080 1.00 3.10 O ATOM 0 H GLY A 47 3.563 -15.325 -9.035 1.00 0.70 H new ATOM 0 HA2 GLY A 47 5.734 -16.187 -8.734 1.00 0.95 H new ATOM 0 HA3 GLY A 47 5.387 -16.560 -7.057 1.00 0.95 H new ATOM 749 N GLY A 48 5.510 -18.969 -8.078 1.00 1.98 N ATOM 750 CA GLY A 48 5.242 -20.399 -8.435 1.00 3.38 C ATOM 751 C GLY A 48 4.818 -20.532 -9.902 1.00 2.29 C ATOM 752 O GLY A 48 5.635 -20.801 -10.762 1.00 2.18 O ATOM 0 H GLY A 48 6.364 -18.800 -7.547 1.00 1.98 H new ATOM 0 HA2 GLY A 48 6.137 -20.995 -8.256 1.00 3.38 H new ATOM 0 HA3 GLY A 48 4.459 -20.798 -7.790 1.00 3.38 H new ATOM 756 N LYS A 49 3.547 -20.343 -10.156 1.00 1.85 N ATOM 757 CA LYS A 49 3.047 -20.453 -11.555 1.00 1.21 C ATOM 758 C LYS A 49 2.164 -19.261 -11.883 1.00 0.92 C ATOM 759 O LYS A 49 2.029 -18.356 -11.084 1.00 1.46 O ATOM 760 CB LYS A 49 2.217 -21.734 -11.700 1.00 2.41 C ATOM 761 CG LYS A 49 3.155 -22.944 -11.591 1.00 2.48 C ATOM 762 CD LYS A 49 2.346 -24.247 -11.672 1.00 2.03 C ATOM 763 CE LYS A 49 1.933 -24.539 -13.123 1.00 3.37 C ATOM 764 NZ LYS A 49 3.088 -24.386 -14.055 1.00 3.37 N ATOM 0 H LYS A 49 2.839 -20.118 -9.457 1.00 1.85 H new ATOM 0 HA LYS A 49 3.898 -20.478 -12.235 1.00 1.21 H new ATOM 0 HB2 LYS A 49 1.452 -21.778 -10.925 1.00 2.41 H new ATOM 0 HB3 LYS A 49 1.700 -21.742 -12.659 1.00 2.41 H new ATOM 0 HG2 LYS A 49 3.894 -22.915 -12.392 1.00 2.48 H new ATOM 0 HG3 LYS A 49 3.704 -22.905 -10.650 1.00 2.48 H new ATOM 0 HD2 LYS A 49 2.940 -25.075 -11.284 1.00 2.03 H new ATOM 0 HD3 LYS A 49 1.458 -24.170 -11.044 1.00 2.03 H new ATOM 0 HE2 LYS A 49 1.537 -25.552 -13.194 1.00 3.37 H new ATOM 0 HE3 LYS A 49 1.132 -23.862 -13.419 1.00 3.37 H new ATOM 0 HZ1 LYS A 49 2.899 -24.912 -14.932 1.00 3.37 H new ATOM 0 HZ2 LYS A 49 3.223 -23.379 -14.278 1.00 3.37 H new ATOM 0 HZ3 LYS A 49 3.948 -24.760 -13.606 1.00 3.37 H new ATOM 778 N LYS A 50 1.570 -19.290 -13.045 1.00 0.88 N ATOM 779 CA LYS A 50 0.693 -18.159 -13.435 1.00 0.54 C ATOM 780 C LYS A 50 -0.794 -18.498 -13.327 1.00 0.44 C ATOM 781 O LYS A 50 -1.358 -19.089 -14.222 1.00 0.62 O ATOM 782 CB LYS A 50 1.003 -17.776 -14.886 1.00 0.61 C ATOM 783 CG LYS A 50 0.662 -16.297 -15.088 1.00 0.40 C ATOM 784 CD LYS A 50 0.468 -16.021 -16.579 1.00 0.74 C ATOM 785 CE LYS A 50 0.900 -14.583 -16.875 1.00 0.86 C ATOM 786 NZ LYS A 50 0.381 -13.658 -15.831 1.00 2.40 N ATOM 0 H LYS A 50 1.655 -20.040 -13.731 1.00 0.88 H new ATOM 0 HA LYS A 50 0.893 -17.337 -12.748 1.00 0.54 H new ATOM 0 HB2 LYS A 50 2.055 -17.955 -15.107 1.00 0.61 H new ATOM 0 HB3 LYS A 50 0.424 -18.394 -15.572 1.00 0.61 H new ATOM 0 HG2 LYS A 50 -0.245 -16.043 -14.539 1.00 0.40 H new ATOM 0 HG3 LYS A 50 1.461 -15.671 -14.692 1.00 0.40 H new ATOM 0 HD2 LYS A 50 1.056 -16.721 -17.172 1.00 0.74 H new ATOM 0 HD3 LYS A 50 -0.576 -16.166 -16.857 1.00 0.74 H new ATOM 0 HE2 LYS A 50 1.988 -14.524 -16.913 1.00 0.86 H new ATOM 0 HE3 LYS A 50 0.530 -14.280 -17.854 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 0.283 -12.703 -16.231 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 -0.547 -13.992 -15.501 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 1.044 -13.631 -15.030 1.00 2.40 H new ATOM 800 N GLN A 51 -1.356 -18.153 -12.190 1.00 0.30 N ATOM 801 CA GLN A 51 -2.812 -18.393 -11.903 1.00 0.16 C ATOM 802 C GLN A 51 -3.149 -19.718 -11.228 1.00 0.10 C ATOM 803 O GLN A 51 -3.527 -20.679 -11.873 1.00 0.13 O ATOM 804 CB GLN A 51 -3.646 -18.246 -13.191 1.00 0.12 C ATOM 805 CG GLN A 51 -3.228 -16.966 -13.924 1.00 0.31 C ATOM 806 CD GLN A 51 -4.470 -16.262 -14.478 1.00 0.52 C ATOM 807 OE1 GLN A 51 -5.348 -15.774 -13.644 1.00 0.62 O flip ATOM 808 NE2 GLN A 51 -4.649 -16.145 -15.672 1.00 0.90 N flip ATOM 0 H GLN A 51 -0.852 -17.702 -11.427 1.00 0.30 H new ATOM 0 HA GLN A 51 -3.070 -17.626 -11.173 1.00 0.16 H new ATOM 0 HB2 GLN A 51 -3.497 -19.113 -13.835 1.00 0.12 H new ATOM 0 HB3 GLN A 51 -4.708 -18.209 -12.948 1.00 0.12 H new ATOM 0 HG2 GLN A 51 -2.695 -16.303 -13.243 1.00 0.31 H new ATOM 0 HG3 GLN A 51 -2.542 -17.207 -14.736 1.00 0.31 H new ATOM 0 HE21 GLN A 51 -3.967 -16.524 -16.329 1.00 0.90 H new ATOM 0 HE22 GLN A 51 -5.481 -15.668 -16.019 1.00 0.90 H new ATOM 817 N LEU A 52 -2.993 -19.735 -9.924 1.00 0.10 N ATOM 818 CA LEU A 52 -3.300 -20.956 -9.156 1.00 0.05 C ATOM 819 C LEU A 52 -4.689 -20.782 -8.545 1.00 0.01 C ATOM 820 O LEU A 52 -5.648 -20.708 -9.272 1.00 0.06 O ATOM 821 CB LEU A 52 -2.257 -21.153 -8.055 1.00 0.06 C ATOM 822 CG LEU A 52 -0.951 -21.541 -8.746 1.00 0.40 C ATOM 823 CD1 LEU A 52 -0.359 -20.310 -9.455 1.00 2.28 C ATOM 824 CD2 LEU A 52 0.002 -22.175 -7.718 1.00 2.51 C ATOM 0 H LEU A 52 -2.664 -18.945 -9.368 1.00 0.10 H new ATOM 0 HA LEU A 52 -3.279 -21.833 -9.803 1.00 0.05 H new ATOM 0 HB2 LEU A 52 -2.130 -20.239 -7.475 1.00 0.06 H new ATOM 0 HB3 LEU A 52 -2.572 -21.931 -7.359 1.00 0.06 H new ATOM 0 HG LEU A 52 -1.125 -22.291 -9.517 1.00 0.40 H new ATOM 0 HD11 LEU A 52 0.573 -20.587 -9.948 1.00 2.28 H new ATOM 0 HD12 LEU A 52 -1.067 -19.942 -10.198 1.00 2.28 H new ATOM 0 HD13 LEU A 52 -0.163 -19.527 -8.722 1.00 2.28 H new ATOM 0 HD21 LEU A 52 0.935 -22.453 -8.209 1.00 2.51 H new ATOM 0 HD22 LEU A 52 0.210 -21.458 -6.924 1.00 2.51 H new ATOM 0 HD23 LEU A 52 -0.462 -23.064 -7.292 1.00 2.51 H new ATOM 836 N TRP A 53 -4.797 -20.712 -7.239 1.00 0.07 N ATOM 837 CA TRP A 53 -6.165 -20.538 -6.663 1.00 0.10 C ATOM 838 C TRP A 53 -6.199 -19.955 -5.259 1.00 0.12 C ATOM 839 O TRP A 53 -5.389 -20.297 -4.422 1.00 0.09 O ATOM 840 CB TRP A 53 -6.820 -21.900 -6.579 1.00 0.11 C ATOM 841 CG TRP A 53 -7.131 -22.335 -7.991 1.00 0.08 C ATOM 842 CD1 TRP A 53 -6.426 -23.250 -8.666 1.00 0.06 C ATOM 843 CD2 TRP A 53 -8.079 -21.806 -8.758 1.00 0.12 C ATOM 844 NE1 TRP A 53 -7.012 -23.249 -9.869 1.00 0.07 N ATOM 845 CE2 TRP A 53 -8.046 -22.377 -10.013 1.00 0.08 C ATOM 846 CE3 TRP A 53 -8.964 -20.777 -8.485 1.00 0.22 C ATOM 847 CZ2 TRP A 53 -8.906 -21.923 -10.991 1.00 0.15 C ATOM 848 CZ3 TRP A 53 -9.810 -20.322 -9.471 1.00 0.26 C ATOM 849 CH2 TRP A 53 -9.776 -20.898 -10.724 1.00 0.23 C ATOM 0 H TRP A 53 -4.029 -20.765 -6.570 1.00 0.07 H new ATOM 0 HA TRP A 53 -6.676 -19.836 -7.322 1.00 0.10 H new ATOM 0 HB2 TRP A 53 -6.157 -22.616 -6.093 1.00 0.11 H new ATOM 0 HB3 TRP A 53 -7.731 -21.853 -5.982 1.00 0.11 H new ATOM 0 HD1 TRP A 53 -5.590 -23.843 -8.324 1.00 0.06 H new ATOM 0 HE1 TRP A 53 -6.705 -23.860 -10.626 1.00 0.07 H new ATOM 0 HE3 TRP A 53 -8.991 -20.332 -7.501 1.00 0.22 H new ATOM 0 HZ2 TRP A 53 -8.894 -22.377 -11.971 1.00 0.15 H new ATOM 0 HZ3 TRP A 53 -10.499 -19.516 -9.264 1.00 0.26 H new ATOM 0 HH2 TRP A 53 -10.438 -20.540 -11.498 1.00 0.23 H new ATOM 860 N PHE A 54 -7.128 -19.048 -5.040 1.00 0.23 N ATOM 861 CA PHE A 54 -7.245 -18.432 -3.691 1.00 0.27 C ATOM 862 C PHE A 54 -8.737 -18.384 -3.288 1.00 0.20 C ATOM 863 O PHE A 54 -9.550 -17.866 -4.012 1.00 0.18 O ATOM 864 CB PHE A 54 -6.700 -16.979 -3.652 1.00 0.31 C ATOM 865 CG PHE A 54 -6.056 -16.586 -4.953 1.00 0.26 C ATOM 866 CD1 PHE A 54 -5.023 -17.329 -5.459 1.00 0.17 C ATOM 867 CD2 PHE A 54 -6.534 -15.500 -5.664 1.00 0.31 C ATOM 868 CE1 PHE A 54 -4.482 -17.015 -6.665 1.00 0.14 C ATOM 869 CE2 PHE A 54 -6.005 -15.183 -6.863 1.00 0.28 C ATOM 870 CZ PHE A 54 -4.965 -15.944 -7.374 1.00 0.20 C ATOM 0 H PHE A 54 -7.799 -18.716 -5.733 1.00 0.23 H new ATOM 0 HA PHE A 54 -6.655 -19.041 -3.006 1.00 0.27 H new ATOM 0 HB2 PHE A 54 -7.516 -16.291 -3.428 1.00 0.31 H new ATOM 0 HB3 PHE A 54 -5.974 -16.885 -2.845 1.00 0.31 H new ATOM 0 HD1 PHE A 54 -4.637 -18.167 -4.898 1.00 0.17 H new ATOM 0 HD2 PHE A 54 -7.336 -14.902 -5.256 1.00 0.31 H new ATOM 0 HE1 PHE A 54 -3.673 -17.608 -7.065 1.00 0.14 H new ATOM 0 HE2 PHE A 54 -6.389 -14.342 -7.421 1.00 0.28 H new ATOM 0 HZ PHE A 54 -4.534 -15.693 -8.332 1.00 0.20 H new ATOM 880 N PRO A 55 -9.077 -18.918 -2.145 1.00 0.17 N ATOM 881 CA PRO A 55 -10.477 -18.919 -1.681 1.00 0.12 C ATOM 882 C PRO A 55 -11.150 -17.555 -1.720 1.00 0.06 C ATOM 883 O PRO A 55 -10.506 -16.531 -1.611 1.00 0.07 O ATOM 884 CB PRO A 55 -10.374 -19.310 -0.218 1.00 0.14 C ATOM 885 CG PRO A 55 -8.952 -19.903 0.005 1.00 0.21 C ATOM 886 CD PRO A 55 -8.121 -19.518 -1.197 1.00 0.22 C ATOM 0 HA PRO A 55 -11.067 -19.575 -2.321 1.00 0.12 H new ATOM 0 HB2 PRO A 55 -10.534 -18.443 0.423 1.00 0.14 H new ATOM 0 HB3 PRO A 55 -11.140 -20.042 0.039 1.00 0.14 H new ATOM 0 HG2 PRO A 55 -8.510 -19.511 0.921 1.00 0.21 H new ATOM 0 HG3 PRO A 55 -8.998 -20.987 0.111 1.00 0.21 H new ATOM 0 HD2 PRO A 55 -7.338 -18.810 -0.925 1.00 0.22 H new ATOM 0 HD3 PRO A 55 -7.628 -20.388 -1.631 1.00 0.22 H new ATOM 894 N SER A 56 -12.442 -17.590 -1.877 1.00 0.07 N ATOM 895 CA SER A 56 -13.221 -16.334 -1.918 1.00 0.06 C ATOM 896 C SER A 56 -13.634 -16.130 -0.483 1.00 0.13 C ATOM 897 O SER A 56 -14.413 -15.265 -0.133 1.00 0.16 O ATOM 898 CB SER A 56 -14.481 -16.520 -2.770 1.00 0.11 C ATOM 899 OG SER A 56 -15.217 -15.323 -2.557 1.00 2.21 O ATOM 0 H SER A 56 -12.991 -18.443 -1.979 1.00 0.07 H new ATOM 0 HA SER A 56 -12.655 -15.503 -2.339 1.00 0.06 H new ATOM 0 HB2 SER A 56 -14.235 -16.656 -3.823 1.00 0.11 H new ATOM 0 HB3 SER A 56 -15.047 -17.398 -2.459 1.00 0.11 H new ATOM 0 HG SER A 56 -15.110 -15.035 -1.627 1.00 2.21 H new ATOM 905 N ASN A 57 -13.047 -16.984 0.313 1.00 0.15 N ATOM 906 CA ASN A 57 -13.284 -16.995 1.752 1.00 0.22 C ATOM 907 C ASN A 57 -12.040 -16.450 2.413 1.00 0.24 C ATOM 908 O ASN A 57 -12.040 -16.113 3.580 1.00 0.34 O ATOM 909 CB ASN A 57 -13.496 -18.467 2.161 1.00 0.23 C ATOM 910 CG ASN A 57 -14.998 -18.773 2.158 1.00 0.68 C ATOM 911 OD1 ASN A 57 -15.645 -18.736 1.129 1.00 0.96 O ATOM 912 ND2 ASN A 57 -15.595 -19.070 3.280 1.00 0.90 N ATOM 0 H ASN A 57 -12.390 -17.695 -0.007 1.00 0.15 H new ATOM 0 HA ASN A 57 -14.149 -16.398 2.041 1.00 0.22 H new ATOM 0 HB2 ASN A 57 -12.975 -19.129 1.469 1.00 0.23 H new ATOM 0 HB3 ASN A 57 -13.077 -18.647 3.151 1.00 0.23 H new ATOM 0 HD21 ASN A 57 -16.595 -19.269 3.288 1.00 0.90 H new ATOM 0 HD22 ASN A 57 -15.061 -19.104 4.148 1.00 0.90 H new ATOM 919 N TYR A 58 -10.992 -16.381 1.621 1.00 0.21 N ATOM 920 CA TYR A 58 -9.711 -15.860 2.153 1.00 0.28 C ATOM 921 C TYR A 58 -9.400 -14.471 1.587 1.00 0.51 C ATOM 922 O TYR A 58 -8.974 -13.590 2.306 1.00 1.32 O ATOM 923 CB TYR A 58 -8.557 -16.799 1.773 1.00 0.18 C ATOM 924 CG TYR A 58 -8.405 -17.919 2.826 1.00 0.09 C ATOM 925 CD1 TYR A 58 -9.394 -18.897 3.020 1.00 0.15 C ATOM 926 CD2 TYR A 58 -7.269 -17.965 3.613 1.00 0.20 C ATOM 927 CE1 TYR A 58 -9.231 -19.866 3.989 1.00 0.36 C ATOM 928 CE2 TYR A 58 -7.119 -18.943 4.576 1.00 0.40 C ATOM 929 CZ TYR A 58 -8.096 -19.897 4.770 1.00 0.49 C ATOM 930 OH TYR A 58 -7.936 -20.882 5.722 1.00 0.72 O ATOM 0 H TYR A 58 -10.978 -16.662 0.641 1.00 0.21 H new ATOM 0 HA TYR A 58 -9.811 -15.797 3.237 1.00 0.28 H new ATOM 0 HB2 TYR A 58 -8.743 -17.236 0.792 1.00 0.18 H new ATOM 0 HB3 TYR A 58 -7.629 -16.233 1.698 1.00 0.18 H new ATOM 0 HD1 TYR A 58 -10.285 -18.891 2.409 1.00 0.15 H new ATOM 0 HD2 TYR A 58 -6.491 -17.229 3.473 1.00 0.20 H new ATOM 0 HE1 TYR A 58 -10.001 -20.608 4.137 1.00 0.36 H new ATOM 0 HE2 TYR A 58 -6.227 -18.961 5.184 1.00 0.40 H new ATOM 0 HH TYR A 58 -7.080 -20.757 6.182 1.00 0.72 H new ATOM 940 N VAL A 59 -9.625 -14.300 0.310 1.00 0.26 N ATOM 941 CA VAL A 59 -9.346 -12.977 -0.316 1.00 0.16 C ATOM 942 C VAL A 59 -10.602 -12.113 -0.388 1.00 0.36 C ATOM 943 O VAL A 59 -11.706 -12.586 -0.204 1.00 0.63 O ATOM 944 CB VAL A 59 -8.859 -13.216 -1.756 1.00 0.16 C ATOM 945 CG1 VAL A 59 -7.674 -14.172 -1.720 1.00 0.35 C ATOM 946 CG2 VAL A 59 -10.005 -13.815 -2.597 1.00 0.23 C ATOM 0 H VAL A 59 -9.987 -15.015 -0.321 1.00 0.26 H new ATOM 0 HA VAL A 59 -8.599 -12.463 0.290 1.00 0.16 H new ATOM 0 HB VAL A 59 -8.551 -12.274 -2.209 1.00 0.16 H new ATOM 0 HG11 VAL A 59 -7.319 -14.350 -2.735 1.00 0.35 H new ATOM 0 HG12 VAL A 59 -6.871 -13.734 -1.126 1.00 0.35 H new ATOM 0 HG13 VAL A 59 -7.982 -15.117 -1.273 1.00 0.35 H new ATOM 0 HG21 VAL A 59 -9.658 -13.984 -3.617 1.00 0.23 H new ATOM 0 HG22 VAL A 59 -10.321 -14.762 -2.160 1.00 0.23 H new ATOM 0 HG23 VAL A 59 -10.847 -13.123 -2.610 1.00 0.23 H new ATOM 956 N GLU A 60 -10.392 -10.858 -0.658 1.00 0.57 N ATOM 957 CA GLU A 60 -11.527 -9.903 -0.762 1.00 0.74 C ATOM 958 C GLU A 60 -11.023 -8.631 -1.434 1.00 0.93 C ATOM 959 O GLU A 60 -10.027 -8.085 -1.022 1.00 1.17 O ATOM 960 CB GLU A 60 -12.023 -9.578 0.652 1.00 1.02 C ATOM 961 CG GLU A 60 -13.449 -10.104 0.839 1.00 1.21 C ATOM 962 CD GLU A 60 -14.029 -9.520 2.130 1.00 1.20 C ATOM 963 OE1 GLU A 60 -13.384 -9.709 3.147 1.00 0.89 O ATOM 964 OE2 GLU A 60 -15.082 -8.915 2.023 1.00 2.66 O ATOM 0 H GLU A 60 -9.471 -10.448 -0.813 1.00 0.57 H new ATOM 0 HA GLU A 60 -12.342 -10.331 -1.345 1.00 0.74 H new ATOM 0 HB2 GLU A 60 -11.360 -10.028 1.391 1.00 1.02 H new ATOM 0 HB3 GLU A 60 -11.999 -8.501 0.816 1.00 1.02 H new ATOM 0 HG2 GLU A 60 -14.069 -9.824 -0.013 1.00 1.21 H new ATOM 0 HG3 GLU A 60 -13.446 -11.193 0.886 1.00 1.21 H new ATOM 971 N GLU A 61 -11.716 -8.199 -2.457 1.00 0.84 N ATOM 972 CA GLU A 61 -11.298 -6.961 -3.190 1.00 1.05 C ATOM 973 C GLU A 61 -11.142 -5.742 -2.295 1.00 1.31 C ATOM 974 O GLU A 61 -11.906 -4.803 -2.379 1.00 1.34 O ATOM 975 CB GLU A 61 -12.360 -6.659 -4.242 1.00 0.99 C ATOM 976 CG GLU A 61 -12.564 -7.915 -5.075 1.00 0.82 C ATOM 977 CD GLU A 61 -12.827 -7.528 -6.532 1.00 1.02 C ATOM 978 OE1 GLU A 61 -13.393 -6.462 -6.716 1.00 1.19 O ATOM 979 OE2 GLU A 61 -12.449 -8.319 -7.380 1.00 1.05 O ATOM 0 H GLU A 61 -12.556 -8.650 -2.819 1.00 0.84 H new ATOM 0 HA GLU A 61 -10.318 -7.156 -3.626 1.00 1.05 H new ATOM 0 HB2 GLU A 61 -13.294 -6.361 -3.766 1.00 0.99 H new ATOM 0 HB3 GLU A 61 -12.045 -5.829 -4.874 1.00 0.99 H new ATOM 0 HG2 GLU A 61 -11.683 -8.553 -5.011 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -13.403 -8.491 -4.684 1.00 0.82 H new ATOM 986 N MET A 62 -10.124 -5.770 -1.497 1.00 1.48 N ATOM 987 CA MET A 62 -9.865 -4.629 -0.577 1.00 1.76 C ATOM 988 C MET A 62 -11.150 -4.042 0.003 1.00 1.87 C ATOM 989 O MET A 62 -11.803 -3.236 -0.629 1.00 1.92 O ATOM 990 CB MET A 62 -9.178 -3.543 -1.412 1.00 1.94 C ATOM 991 CG MET A 62 -7.742 -3.961 -1.732 1.00 1.63 C ATOM 992 SD MET A 62 -6.432 -2.761 -1.412 1.00 2.76 S ATOM 993 CE MET A 62 -5.524 -3.050 -2.949 1.00 1.92 C ATOM 0 H MET A 62 -9.453 -6.536 -1.438 1.00 1.48 H new ATOM 0 HA MET A 62 -9.259 -4.978 0.259 1.00 1.76 H new ATOM 0 HB2 MET A 62 -9.732 -3.378 -2.336 1.00 1.94 H new ATOM 0 HB3 MET A 62 -9.178 -2.599 -0.867 1.00 1.94 H new ATOM 0 HG2 MET A 62 -7.519 -4.862 -1.161 1.00 1.63 H new ATOM 0 HG3 MET A 62 -7.698 -4.233 -2.787 1.00 1.63 H new ATOM 0 HE1 MET A 62 -4.647 -2.403 -2.981 1.00 1.92 H new ATOM 0 HE2 MET A 62 -5.208 -4.092 -2.995 1.00 1.92 H new ATOM 0 HE3 MET A 62 -6.169 -2.829 -3.800 1.00 1.92 H new ATOM 1003 N VAL A 63 -11.482 -4.438 1.206 1.00 1.94 N ATOM 1004 CA VAL A 63 -12.707 -3.912 1.825 1.00 2.09 C ATOM 1005 C VAL A 63 -12.640 -3.954 3.356 1.00 3.93 C ATOM 1006 O VAL A 63 -12.650 -5.000 3.972 1.00 4.86 O ATOM 1007 CB VAL A 63 -13.909 -4.754 1.411 1.00 2.65 C ATOM 1008 CG1 VAL A 63 -15.047 -3.825 0.981 1.00 2.66 C ATOM 1009 CG2 VAL A 63 -13.582 -5.696 0.243 1.00 2.66 C ATOM 0 H VAL A 63 -10.952 -5.100 1.773 1.00 1.94 H new ATOM 0 HA VAL A 63 -12.805 -2.880 1.488 1.00 2.09 H new ATOM 0 HB VAL A 63 -14.196 -5.362 2.269 1.00 2.65 H new ATOM 0 HG11 VAL A 63 -15.910 -4.421 0.683 1.00 2.66 H new ATOM 0 HG12 VAL A 63 -15.322 -3.178 1.813 1.00 2.66 H new ATOM 0 HG13 VAL A 63 -14.720 -3.214 0.139 1.00 2.66 H new ATOM 0 HG21 VAL A 63 -14.468 -6.275 -0.017 1.00 2.66 H new ATOM 0 HG22 VAL A 63 -13.266 -5.110 -0.620 1.00 2.66 H new ATOM 0 HG23 VAL A 63 -12.779 -6.373 0.535 1.00 2.66 H new ATOM 1019 N ASN A 64 -12.553 -2.793 3.904 1.00 5.05 N ATOM 1020 CA ASN A 64 -12.484 -2.620 5.395 1.00 6.89 C ATOM 1021 C ASN A 64 -11.460 -3.540 6.095 1.00 9.03 C ATOM 1022 O ASN A 64 -11.815 -4.556 6.660 1.00 10.78 O ATOM 1023 CB ASN A 64 -13.885 -2.929 5.952 1.00 8.49 C ATOM 1024 CG ASN A 64 -14.115 -2.120 7.229 1.00 8.06 C ATOM 1025 OD1 ASN A 64 -13.128 -1.970 8.069 1.00 8.45 O flip ATOM 1026 ND2 ASN A 64 -15.194 -1.617 7.474 1.00 7.62 N flip ATOM 0 H ASN A 64 -12.525 -1.919 3.379 1.00 5.05 H new ATOM 0 HA ASN A 64 -12.156 -1.600 5.593 1.00 6.89 H new ATOM 0 HB2 ASN A 64 -14.645 -2.683 5.211 1.00 8.49 H new ATOM 0 HB3 ASN A 64 -13.978 -3.995 6.162 1.00 8.49 H new ATOM 0 HD21 ASN A 64 -15.970 -1.731 6.821 1.00 7.62 H new ATOM 0 HD22 ASN A 64 -15.324 -1.081 8.332 1.00 7.62 H new ATOM 1033 N PRO A 65 -10.200 -3.158 6.054 1.00 9.35 N ATOM 1034 CA PRO A 65 -9.126 -3.948 6.687 1.00 11.79 C ATOM 1035 C PRO A 65 -8.977 -3.614 8.175 1.00 13.49 C ATOM 1036 O PRO A 65 -7.904 -3.725 8.742 1.00 13.44 O ATOM 1037 CB PRO A 65 -7.862 -3.501 5.933 1.00 12.02 C ATOM 1038 CG PRO A 65 -8.204 -2.165 5.225 1.00 9.92 C ATOM 1039 CD PRO A 65 -9.728 -1.978 5.310 1.00 7.92 C ATOM 0 HA PRO A 65 -9.322 -5.019 6.634 1.00 11.79 H new ATOM 0 HB2 PRO A 65 -7.028 -3.369 6.623 1.00 12.02 H new ATOM 0 HB3 PRO A 65 -7.559 -4.256 5.207 1.00 12.02 H new ATOM 0 HG2 PRO A 65 -7.688 -1.333 5.704 1.00 9.92 H new ATOM 0 HG3 PRO A 65 -7.877 -2.187 4.185 1.00 9.92 H new ATOM 0 HD2 PRO A 65 -9.987 -1.053 5.826 1.00 7.92 H new ATOM 0 HD3 PRO A 65 -10.178 -1.927 4.319 1.00 7.92 H new ATOM 1047 N GLU A 66 -10.067 -3.253 8.781 1.00 15.04 N ATOM 1048 CA GLU A 66 -10.037 -2.900 10.234 1.00 16.93 C ATOM 1049 C GLU A 66 -8.779 -2.095 10.585 1.00 17.14 C ATOM 1050 O GLU A 66 -8.091 -1.605 9.712 1.00 15.39 O ATOM 1051 CB GLU A 66 -10.030 -4.205 11.040 1.00 17.54 C ATOM 1052 CG GLU A 66 -11.426 -4.835 11.014 1.00 18.99 C ATOM 1053 CD GLU A 66 -11.310 -6.297 10.583 1.00 19.15 C ATOM 1054 OE1 GLU A 66 -10.873 -7.074 11.415 1.00 19.09 O ATOM 1055 OE2 GLU A 66 -11.658 -6.555 9.444 1.00 19.58 O ATOM 0 H GLU A 66 -10.983 -3.185 8.338 1.00 15.04 H new ATOM 0 HA GLU A 66 -10.909 -2.290 10.470 1.00 16.93 H new ATOM 0 HB2 GLU A 66 -9.300 -4.898 10.622 1.00 17.54 H new ATOM 0 HB3 GLU A 66 -9.729 -4.007 12.069 1.00 17.54 H new ATOM 0 HG2 GLU A 66 -11.886 -4.770 12.000 1.00 18.99 H new ATOM 0 HG3 GLU A 66 -12.071 -4.290 10.325 1.00 18.99 H new ATOM 1062 N GLY A 67 -8.517 -1.957 11.860 1.00 19.39 N ATOM 1063 CA GLY A 67 -7.308 -1.187 12.289 1.00 19.89 C ATOM 1064 C GLY A 67 -6.625 -1.884 13.470 1.00 22.40 C ATOM 1065 O GLY A 67 -7.062 -1.772 14.601 1.00 24.41 O ATOM 0 H GLY A 67 -9.082 -2.340 12.618 1.00 19.39 H new ATOM 0 HA2 GLY A 67 -6.610 -1.099 11.456 1.00 19.89 H new ATOM 0 HA3 GLY A 67 -7.595 -0.174 12.572 1.00 19.89 H new ATOM 1069 N ILE A 68 -5.564 -2.588 13.178 1.00 22.27 N ATOM 1070 CA ILE A 68 -4.829 -3.303 14.260 1.00 24.69 C ATOM 1071 C ILE A 68 -3.741 -2.418 14.870 1.00 25.72 C ATOM 1072 O ILE A 68 -3.273 -1.487 14.242 1.00 24.46 O ATOM 1073 CB ILE A 68 -4.153 -4.528 13.642 1.00 24.24 C ATOM 1074 CG1 ILE A 68 -5.184 -5.394 12.916 1.00 23.60 C ATOM 1075 CG2 ILE A 68 -3.512 -5.366 14.765 1.00 26.88 C ATOM 1076 CD1 ILE A 68 -4.458 -6.490 12.130 1.00 22.59 C ATOM 0 H ILE A 68 -5.176 -2.698 12.241 1.00 22.27 H new ATOM 0 HA ILE A 68 -5.536 -3.579 15.043 1.00 24.69 H new ATOM 0 HB ILE A 68 -3.397 -4.194 12.931 1.00 24.24 H new ATOM 0 HG12 ILE A 68 -5.872 -5.840 13.634 1.00 23.60 H new ATOM 0 HG13 ILE A 68 -5.781 -4.781 12.241 1.00 23.60 H new ATOM 0 HG21 ILE A 68 -3.027 -6.242 14.334 1.00 26.88 H new ATOM 0 HG22 ILE A 68 -2.771 -4.764 15.291 1.00 26.88 H new ATOM 0 HG23 ILE A 68 -4.283 -5.686 15.466 1.00 26.88 H new ATOM 0 HD11 ILE A 68 -5.189 -7.110 11.611 1.00 22.59 H new ATOM 0 HD12 ILE A 68 -3.788 -6.033 11.402 1.00 22.59 H new ATOM 0 HD13 ILE A 68 -3.880 -7.108 12.817 1.00 22.59 H new ATOM 1088 N HIS A 69 -3.358 -2.724 16.081 1.00 28.14 N ATOM 1089 CA HIS A 69 -2.301 -1.910 16.737 1.00 29.44 C ATOM 1090 C HIS A 69 -0.914 -2.498 16.479 1.00 29.39 C ATOM 1091 O HIS A 69 -0.439 -2.512 15.363 1.00 28.19 O ATOM 1092 CB HIS A 69 -2.549 -1.912 18.252 1.00 32.28 C ATOM 1093 CG HIS A 69 -3.825 -1.135 18.570 1.00 32.31 C ATOM 1094 ND1 HIS A 69 -4.171 -0.747 19.727 1.00 33.00 N ATOM 1095 CD2 HIS A 69 -4.827 -0.686 17.732 1.00 31.71 C ATOM 1096 CE1 HIS A 69 -5.281 -0.112 19.678 1.00 32.81 C ATOM 1097 NE2 HIS A 69 -5.756 -0.031 18.446 1.00 32.02 N ATOM 0 H HIS A 69 -3.728 -3.495 16.637 1.00 28.14 H new ATOM 0 HA HIS A 69 -2.339 -0.900 16.329 1.00 29.44 H new ATOM 0 HB2 HIS A 69 -2.637 -2.936 18.614 1.00 32.28 H new ATOM 0 HB3 HIS A 69 -1.701 -1.463 18.769 1.00 32.28 H new ATOM 0 HD2 HIS A 69 -4.858 -0.839 16.663 1.00 31.71 H new ATOM 0 HE1 HIS A 69 -5.773 0.309 20.542 1.00 32.81 H new ATOM 0 HE2 HIS A 69 -6.613 0.417 18.120 1.00 32.02 H new ATOM 1105 N ARG A 70 -0.292 -2.972 17.527 1.00 30.78 N ATOM 1106 CA ARG A 70 1.065 -3.563 17.373 1.00 30.85 C ATOM 1107 C ARG A 70 1.243 -4.760 18.304 1.00 33.43 C ATOM 1108 O ARG A 70 1.258 -4.610 19.510 1.00 34.91 O ATOM 1109 CB ARG A 70 2.091 -2.481 17.751 1.00 30.93 C ATOM 1110 CG ARG A 70 3.053 -2.240 16.576 1.00 29.42 C ATOM 1111 CD ARG A 70 4.014 -3.425 16.426 1.00 28.07 C ATOM 1112 NE ARG A 70 5.397 -2.900 16.262 1.00 27.33 N ATOM 1113 CZ ARG A 70 6.005 -3.053 15.120 1.00 25.05 C ATOM 1114 NH1 ARG A 70 5.301 -3.033 14.022 1.00 23.71 N ATOM 1115 NH2 ARG A 70 7.295 -3.227 15.114 1.00 24.28 N ATOM 0 H ARG A 70 -0.664 -2.975 18.477 1.00 30.78 H new ATOM 0 HA ARG A 70 1.202 -3.902 16.346 1.00 30.85 H new ATOM 0 HB2 ARG A 70 1.578 -1.554 18.008 1.00 30.93 H new ATOM 0 HB3 ARG A 70 2.651 -2.791 18.633 1.00 30.93 H new ATOM 0 HG2 ARG A 70 2.486 -2.103 15.655 1.00 29.42 H new ATOM 0 HG3 ARG A 70 3.618 -1.323 16.742 1.00 29.42 H new ATOM 0 HD2 ARG A 70 3.957 -4.071 17.302 1.00 28.07 H new ATOM 0 HD3 ARG A 70 3.735 -4.031 15.564 1.00 28.07 H new ATOM 0 HE ARG A 70 5.864 -2.426 17.035 1.00 27.33 H new ATOM 0 HH11 ARG A 70 4.291 -2.899 14.066 1.00 23.71 H new ATOM 0 HH12 ARG A 70 5.761 -3.151 13.119 1.00 23.71 H new ATOM 0 HH21 ARG A 70 7.812 -3.242 15.993 1.00 24.28 H new ATOM 0 HH22 ARG A 70 7.789 -3.349 14.230 1.00 24.28 H new ATOM 1129 N ASP A 71 1.373 -5.928 17.719 1.00 33.98 N ATOM 1130 CA ASP A 71 1.552 -7.158 18.537 1.00 36.54 C ATOM 1131 C ASP A 71 2.717 -7.995 18.014 1.00 37.40 C ATOM 1132 O ASP A 71 3.320 -7.547 17.053 1.00 37.20 O ATOM 1133 CB ASP A 71 0.269 -7.996 18.449 1.00 37.21 C ATOM 1134 CG ASP A 71 -0.732 -7.506 19.497 1.00 37.57 C ATOM 1135 OD1 ASP A 71 -0.899 -6.299 19.560 1.00 37.38 O ATOM 1136 OD2 ASP A 71 -1.272 -8.364 20.176 1.00 38.07 O ATOM 1137 OXT ASP A 71 2.938 -9.040 18.605 1.00 38.27 O ATOM 0 H ASP A 71 1.362 -6.077 16.710 1.00 33.98 H new ATOM 0 HA ASP A 71 1.761 -6.868 19.567 1.00 36.54 H new ATOM 0 HB2 ASP A 71 -0.163 -7.915 17.452 1.00 37.21 H new ATOM 0 HB3 ASP A 71 0.498 -9.049 18.613 1.00 37.21 H new TER 1142 ASP A 71