USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 542 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 41 SER OG : rot 47:sc= 0.906 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00723) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.247 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0223 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0719 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 17 CYS SG : rot 71:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ -141:sc= 0.543 (180deg=-1.07!) USER MOD Single : A 24 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.63) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.09) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.088) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00719 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00739 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc=-0.00884 X(o=-0.0088,f=-0.23) USER MOD Single : A 56 GLN : amide:sc= -0.944 X(o=-0.94,f=-0.94) USER MOD Single : A 62 HIS : no HE2:sc= 0.89 K(o=0.89,f=-3.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.393 -12.419 -9.187 1.00 5.61 N ATOM 2 CA MET A 1 -17.205 -11.221 -8.903 1.00 5.37 C ATOM 3 C MET A 1 -16.412 -9.973 -9.282 1.00 5.03 C ATOM 4 O MET A 1 -16.617 -9.433 -10.363 1.00 5.92 O ATOM 5 CB MET A 1 -17.679 -11.168 -7.442 1.00 6.00 C ATOM 6 CG MET A 1 -18.967 -11.965 -7.200 1.00 6.82 C ATOM 7 SD MET A 1 -19.612 -11.796 -5.515 1.00 8.20 S ATOM 8 CE MET A 1 -21.191 -12.659 -5.679 1.00 9.07 C ATOM 0 H1 MET A 1 -16.930 -13.272 -8.930 1.00 5.61 H new ATOM 0 H2 MET A 1 -16.161 -12.449 -10.200 1.00 5.61 H new ATOM 0 H3 MET A 1 -15.515 -12.383 -8.631 1.00 5.61 H new ATOM 0 HA MET A 1 -18.110 -11.268 -9.509 1.00 5.37 H new ATOM 0 HB2 MET A 1 -16.891 -11.556 -6.796 1.00 6.00 H new ATOM 0 HB3 MET A 1 -17.842 -10.129 -7.156 1.00 6.00 H new ATOM 0 HG2 MET A 1 -19.728 -11.635 -7.907 1.00 6.82 H new ATOM 0 HG3 MET A 1 -18.777 -13.019 -7.405 1.00 6.82 H new ATOM 0 HE1 MET A 1 -21.715 -12.644 -4.723 1.00 9.07 H new ATOM 0 HE2 MET A 1 -21.800 -12.162 -6.434 1.00 9.07 H new ATOM 0 HE3 MET A 1 -21.012 -13.692 -5.979 1.00 9.07 H new ATOM 20 N ALA A 2 -15.496 -9.546 -8.411 1.00 4.36 N ATOM 21 CA ALA A 2 -14.582 -8.446 -8.658 1.00 4.25 C ATOM 22 C ALA A 2 -13.369 -8.657 -7.755 1.00 2.74 C ATOM 23 O ALA A 2 -13.476 -9.391 -6.770 1.00 3.37 O ATOM 24 CB ALA A 2 -15.271 -7.114 -8.353 1.00 5.98 C ATOM 0 H ALA A 2 -15.372 -9.971 -7.492 1.00 4.36 H new ATOM 0 HA ALA A 2 -14.272 -8.418 -9.702 1.00 4.25 H new ATOM 0 HB1 ALA A 2 -14.578 -6.294 -8.541 1.00 5.98 H new ATOM 0 HB2 ALA A 2 -16.147 -7.003 -8.992 1.00 5.98 H new ATOM 0 HB3 ALA A 2 -15.580 -7.095 -7.308 1.00 5.98 H new ATOM 30 N GLU A 3 -12.249 -8.009 -8.079 1.00 1.85 N ATOM 31 CA GLU A 3 -10.947 -8.274 -7.483 1.00 0.98 C ATOM 32 C GLU A 3 -10.154 -6.971 -7.296 1.00 0.81 C ATOM 33 O GLU A 3 -8.936 -6.930 -7.484 1.00 1.27 O ATOM 34 CB GLU A 3 -10.217 -9.274 -8.388 1.00 2.66 C ATOM 35 CG GLU A 3 -10.133 -8.807 -9.856 1.00 4.02 C ATOM 36 CD GLU A 3 -11.102 -9.544 -10.777 1.00 5.01 C ATOM 37 OE1 GLU A 3 -12.287 -9.653 -10.393 1.00 4.65 O ATOM 38 OE2 GLU A 3 -10.652 -9.965 -11.861 1.00 6.67 O ATOM 0 H GLU A 3 -12.226 -7.269 -8.780 1.00 1.85 H new ATOM 0 HA GLU A 3 -11.058 -8.703 -6.487 1.00 0.98 H new ATOM 0 HB2 GLU A 3 -9.209 -9.434 -8.005 1.00 2.66 H new ATOM 0 HB3 GLU A 3 -10.730 -10.235 -8.347 1.00 2.66 H new ATOM 0 HG2 GLU A 3 -10.339 -7.738 -9.903 1.00 4.02 H new ATOM 0 HG3 GLU A 3 -9.115 -8.952 -10.219 1.00 4.02 H new ATOM 45 N LYS A 4 -10.874 -5.904 -6.933 1.00 0.75 N ATOM 46 CA LYS A 4 -10.358 -4.559 -6.728 1.00 0.68 C ATOM 47 C LYS A 4 -10.762 -4.072 -5.340 1.00 0.61 C ATOM 48 O LYS A 4 -11.921 -4.223 -4.947 1.00 0.68 O ATOM 49 CB LYS A 4 -10.895 -3.607 -7.809 1.00 1.06 C ATOM 50 CG LYS A 4 -12.385 -3.826 -8.135 1.00 1.44 C ATOM 51 CD LYS A 4 -13.018 -2.565 -8.744 1.00 1.89 C ATOM 52 CE LYS A 4 -13.462 -1.550 -7.675 1.00 2.65 C ATOM 53 NZ LYS A 4 -14.687 -1.973 -6.961 1.00 4.49 N ATOM 0 H LYS A 4 -11.879 -5.965 -6.768 1.00 0.75 H new ATOM 0 HA LYS A 4 -9.271 -4.575 -6.802 1.00 0.68 H new ATOM 0 HB2 LYS A 4 -10.751 -2.578 -7.480 1.00 1.06 H new ATOM 0 HB3 LYS A 4 -10.309 -3.736 -8.719 1.00 1.06 H new ATOM 0 HG2 LYS A 4 -12.488 -4.659 -8.831 1.00 1.44 H new ATOM 0 HG3 LYS A 4 -12.921 -4.101 -7.227 1.00 1.44 H new ATOM 0 HD2 LYS A 4 -12.301 -2.091 -9.414 1.00 1.89 H new ATOM 0 HD3 LYS A 4 -13.879 -2.851 -9.348 1.00 1.89 H new ATOM 0 HE2 LYS A 4 -12.656 -1.411 -6.955 1.00 2.65 H new ATOM 0 HE3 LYS A 4 -13.637 -0.584 -8.148 1.00 2.65 H new ATOM 0 HZ1 LYS A 4 -14.971 -1.232 -6.289 1.00 4.49 H new ATOM 0 HZ2 LYS A 4 -15.452 -2.129 -7.647 1.00 4.49 H new ATOM 0 HZ3 LYS A 4 -14.500 -2.856 -6.444 1.00 4.49 H new ATOM 67 N THR A 5 -9.842 -3.458 -4.595 1.00 0.51 N ATOM 68 CA THR A 5 -10.141 -2.822 -3.320 1.00 0.43 C ATOM 69 C THR A 5 -9.205 -1.652 -3.162 1.00 0.36 C ATOM 70 O THR A 5 -8.115 -1.650 -3.731 1.00 0.40 O ATOM 71 CB THR A 5 -9.980 -3.813 -2.155 1.00 0.46 C ATOM 72 OG1 THR A 5 -10.856 -4.861 -2.437 1.00 0.59 O ATOM 73 CG2 THR A 5 -10.405 -3.239 -0.798 1.00 0.49 C ATOM 0 H THR A 5 -8.861 -3.390 -4.866 1.00 0.51 H new ATOM 0 HA THR A 5 -11.177 -2.483 -3.305 1.00 0.43 H new ATOM 0 HB THR A 5 -8.929 -4.091 -2.077 1.00 0.46 H new ATOM 0 HG1 THR A 5 -10.800 -5.534 -1.727 1.00 0.59 H new ATOM 0 HG21 THR A 5 -10.264 -3.993 -0.024 1.00 0.49 H new ATOM 0 HG22 THR A 5 -9.798 -2.364 -0.567 1.00 0.49 H new ATOM 0 HG23 THR A 5 -11.456 -2.951 -0.838 1.00 0.49 H new ATOM 81 N VAL A 6 -9.630 -0.663 -2.383 1.00 0.36 N ATOM 82 CA VAL A 6 -8.763 0.398 -1.971 1.00 0.29 C ATOM 83 C VAL A 6 -8.948 0.690 -0.493 1.00 0.25 C ATOM 84 O VAL A 6 -10.054 0.573 0.029 1.00 0.35 O ATOM 85 CB VAL A 6 -8.958 1.593 -2.912 1.00 0.34 C ATOM 86 CG1 VAL A 6 -10.417 1.995 -3.133 1.00 0.39 C ATOM 87 CG2 VAL A 6 -8.178 2.838 -2.480 1.00 0.37 C ATOM 0 H VAL A 6 -10.584 -0.588 -2.029 1.00 0.36 H new ATOM 0 HA VAL A 6 -7.714 0.116 -2.060 1.00 0.29 H new ATOM 0 HB VAL A 6 -8.559 1.220 -3.856 1.00 0.34 H new ATOM 0 HG11 VAL A 6 -10.461 2.848 -3.811 1.00 0.39 H new ATOM 0 HG12 VAL A 6 -10.963 1.158 -3.567 1.00 0.39 H new ATOM 0 HG13 VAL A 6 -10.868 2.267 -2.179 1.00 0.39 H new ATOM 0 HG21 VAL A 6 -8.360 3.646 -3.189 1.00 0.37 H new ATOM 0 HG22 VAL A 6 -8.505 3.146 -1.487 1.00 0.37 H new ATOM 0 HG23 VAL A 6 -7.112 2.610 -2.456 1.00 0.37 H new ATOM 97 N TYR A 7 -7.835 0.994 0.178 1.00 0.18 N ATOM 98 CA TYR A 7 -7.744 1.089 1.623 1.00 0.19 C ATOM 99 C TYR A 7 -7.127 2.445 1.967 1.00 0.21 C ATOM 100 O TYR A 7 -6.303 2.952 1.205 1.00 0.28 O ATOM 101 CB TYR A 7 -6.869 -0.057 2.143 1.00 0.20 C ATOM 102 CG TYR A 7 -7.255 -1.460 1.703 1.00 0.24 C ATOM 103 CD1 TYR A 7 -6.902 -1.928 0.420 1.00 1.74 C ATOM 104 CD2 TYR A 7 -7.775 -2.363 2.648 1.00 1.69 C ATOM 105 CE1 TYR A 7 -7.084 -3.281 0.088 1.00 1.73 C ATOM 106 CE2 TYR A 7 -8.008 -3.703 2.297 1.00 1.73 C ATOM 107 CZ TYR A 7 -7.649 -4.163 1.021 1.00 0.42 C ATOM 108 OH TYR A 7 -7.637 -5.502 0.779 1.00 0.57 O ATOM 0 H TYR A 7 -6.949 1.185 -0.290 1.00 0.18 H new ATOM 0 HA TYR A 7 -8.727 1.010 2.088 1.00 0.19 H new ATOM 0 HB2 TYR A 7 -5.842 0.128 1.829 1.00 0.20 H new ATOM 0 HB3 TYR A 7 -6.879 -0.026 3.233 1.00 0.20 H new ATOM 0 HD1 TYR A 7 -6.491 -1.245 -0.309 1.00 1.74 H new ATOM 0 HD2 TYR A 7 -7.996 -2.024 3.649 1.00 1.69 H new ATOM 0 HE1 TYR A 7 -6.789 -3.642 -0.886 1.00 1.73 H new ATOM 0 HE2 TYR A 7 -8.462 -4.378 3.008 1.00 1.73 H new ATOM 0 HH TYR A 7 -8.066 -5.973 1.523 1.00 0.57 H new ATOM 118 N ARG A 8 -7.520 3.047 3.091 1.00 0.19 N ATOM 119 CA ARG A 8 -6.963 4.324 3.524 1.00 0.23 C ATOM 120 C ARG A 8 -5.738 4.047 4.378 1.00 0.21 C ATOM 121 O ARG A 8 -5.847 3.306 5.350 1.00 0.25 O ATOM 122 CB ARG A 8 -7.963 5.073 4.411 1.00 0.36 C ATOM 123 CG ARG A 8 -9.165 5.642 3.666 1.00 0.87 C ATOM 124 CD ARG A 8 -8.917 7.026 3.038 1.00 1.75 C ATOM 125 NE ARG A 8 -10.180 7.621 2.557 1.00 2.22 N ATOM 126 CZ ARG A 8 -11.220 7.952 3.348 1.00 2.59 C ATOM 127 NH1 ARG A 8 -11.056 8.029 4.671 1.00 2.68 N ATOM 128 NH2 ARG A 8 -12.432 8.167 2.837 1.00 3.81 N ATOM 0 H ARG A 8 -8.227 2.665 3.720 1.00 0.19 H new ATOM 0 HA ARG A 8 -6.725 4.918 2.642 1.00 0.23 H new ATOM 0 HB2 ARG A 8 -8.320 4.396 5.187 1.00 0.36 H new ATOM 0 HB3 ARG A 8 -7.444 5.889 4.914 1.00 0.36 H new ATOM 0 HG2 ARG A 8 -9.455 4.945 2.880 1.00 0.87 H new ATOM 0 HG3 ARG A 8 -10.006 5.713 4.356 1.00 0.87 H new ATOM 0 HD2 ARG A 8 -8.456 7.686 3.773 1.00 1.75 H new ATOM 0 HD3 ARG A 8 -8.215 6.933 2.209 1.00 1.75 H new ATOM 0 HE ARG A 8 -10.272 7.794 1.556 1.00 2.22 H new ATOM 0 HH11 ARG A 8 -10.143 7.837 5.084 1.00 2.68 H new ATOM 0 HH12 ARG A 8 -11.844 8.280 5.269 1.00 2.68 H new ATOM 0 HH21 ARG A 8 -12.584 8.082 1.832 1.00 3.81 H new ATOM 0 HH22 ARG A 8 -13.207 8.417 3.451 1.00 3.81 H new ATOM 142 N VAL A 9 -4.609 4.679 4.065 1.00 0.31 N ATOM 143 CA VAL A 9 -3.435 4.689 4.923 1.00 0.28 C ATOM 144 C VAL A 9 -3.339 6.062 5.578 1.00 0.35 C ATOM 145 O VAL A 9 -3.730 7.050 4.957 1.00 0.49 O ATOM 146 CB VAL A 9 -2.166 4.331 4.125 1.00 0.41 C ATOM 147 CG1 VAL A 9 -2.133 4.961 2.723 1.00 0.40 C ATOM 148 CG2 VAL A 9 -0.930 4.760 4.918 1.00 0.60 C ATOM 0 H VAL A 9 -4.486 5.203 3.199 1.00 0.31 H new ATOM 0 HA VAL A 9 -3.526 3.930 5.700 1.00 0.28 H new ATOM 0 HB VAL A 9 -2.173 3.251 3.980 1.00 0.41 H new ATOM 0 HG11 VAL A 9 -1.214 4.670 2.215 1.00 0.40 H new ATOM 0 HG12 VAL A 9 -2.991 4.614 2.148 1.00 0.40 H new ATOM 0 HG13 VAL A 9 -2.170 6.047 2.811 1.00 0.40 H new ATOM 0 HG21 VAL A 9 -0.031 4.508 4.355 1.00 0.60 H new ATOM 0 HG22 VAL A 9 -0.962 5.836 5.087 1.00 0.60 H new ATOM 0 HG23 VAL A 9 -0.915 4.242 5.877 1.00 0.60 H new ATOM 158 N ASP A 10 -2.791 6.122 6.799 1.00 0.36 N ATOM 159 CA ASP A 10 -2.447 7.385 7.432 1.00 0.38 C ATOM 160 C ASP A 10 -1.158 7.217 8.233 1.00 0.42 C ATOM 161 O ASP A 10 -0.910 6.125 8.752 1.00 0.69 O ATOM 162 CB ASP A 10 -3.593 7.844 8.344 1.00 0.50 C ATOM 163 CG ASP A 10 -3.795 9.344 8.235 1.00 1.15 C ATOM 164 OD1 ASP A 10 -2.760 10.043 8.211 1.00 2.62 O ATOM 165 OD2 ASP A 10 -4.974 9.752 8.187 1.00 1.79 O ATOM 0 H ASP A 10 -2.579 5.300 7.365 1.00 0.36 H new ATOM 0 HA ASP A 10 -2.291 8.146 6.667 1.00 0.38 H new ATOM 0 HB2 ASP A 10 -4.513 7.327 8.070 1.00 0.50 H new ATOM 0 HB3 ASP A 10 -3.372 7.576 9.377 1.00 0.50 H new ATOM 170 N GLY A 11 -0.358 8.280 8.346 1.00 0.48 N ATOM 171 CA GLY A 11 0.752 8.373 9.288 1.00 0.54 C ATOM 172 C GLY A 11 1.978 9.019 8.649 1.00 0.78 C ATOM 173 O GLY A 11 2.495 10.017 9.142 1.00 1.55 O ATOM 0 H GLY A 11 -0.469 9.116 7.772 1.00 0.48 H new ATOM 0 HA2 GLY A 11 0.445 8.955 10.157 1.00 0.54 H new ATOM 0 HA3 GLY A 11 1.010 7.377 9.647 1.00 0.54 H new ATOM 177 N LEU A 12 2.464 8.412 7.567 1.00 0.61 N ATOM 178 CA LEU A 12 3.671 8.850 6.878 1.00 0.76 C ATOM 179 C LEU A 12 3.470 10.183 6.152 1.00 0.95 C ATOM 180 O LEU A 12 2.347 10.669 6.043 1.00 1.17 O ATOM 181 CB LEU A 12 4.155 7.731 5.944 1.00 0.88 C ATOM 182 CG LEU A 12 3.418 7.544 4.597 1.00 1.15 C ATOM 183 CD1 LEU A 12 1.894 7.753 4.576 1.00 1.76 C ATOM 184 CD2 LEU A 12 4.072 8.401 3.502 1.00 2.51 C ATOM 0 H LEU A 12 2.025 7.595 7.142 1.00 0.61 H new ATOM 0 HA LEU A 12 4.451 9.042 7.615 1.00 0.76 H new ATOM 0 HB2 LEU A 12 5.208 7.908 5.727 1.00 0.88 H new ATOM 0 HB3 LEU A 12 4.096 6.790 6.491 1.00 0.88 H new ATOM 0 HG LEU A 12 3.534 6.477 4.408 1.00 1.15 H new ATOM 0 HD11 LEU A 12 1.518 7.588 3.566 1.00 1.76 H new ATOM 0 HD12 LEU A 12 1.421 7.048 5.259 1.00 1.76 H new ATOM 0 HD13 LEU A 12 1.662 8.771 4.888 1.00 1.76 H new ATOM 0 HD21 LEU A 12 3.541 8.257 2.561 1.00 2.51 H new ATOM 0 HD22 LEU A 12 4.027 9.452 3.787 1.00 2.51 H new ATOM 0 HD23 LEU A 12 5.113 8.103 3.380 1.00 2.51 H new ATOM 196 N SER A 13 4.552 10.764 5.621 1.00 1.14 N ATOM 197 CA SER A 13 4.473 11.939 4.761 1.00 1.44 C ATOM 198 C SER A 13 5.792 12.121 4.001 1.00 1.09 C ATOM 199 O SER A 13 6.610 12.956 4.377 1.00 1.41 O ATOM 200 CB SER A 13 4.102 13.183 5.588 1.00 2.17 C ATOM 201 OG SER A 13 3.769 14.255 4.727 1.00 3.28 O ATOM 0 H SER A 13 5.503 10.430 5.778 1.00 1.14 H new ATOM 0 HA SER A 13 3.685 11.797 4.022 1.00 1.44 H new ATOM 0 HB2 SER A 13 3.260 12.957 6.243 1.00 2.17 H new ATOM 0 HB3 SER A 13 4.937 13.466 6.229 1.00 2.17 H new ATOM 0 HG SER A 13 3.533 15.042 5.261 1.00 3.28 H new ATOM 207 N CYS A 14 6.020 11.330 2.941 1.00 0.84 N ATOM 208 CA CYS A 14 7.169 11.513 2.053 1.00 0.79 C ATOM 209 C CYS A 14 7.030 10.676 0.779 1.00 0.70 C ATOM 210 O CYS A 14 6.841 9.463 0.851 1.00 0.67 O ATOM 211 CB CYS A 14 8.481 11.142 2.751 1.00 0.96 C ATOM 212 SG CYS A 14 9.826 11.493 1.595 1.00 1.76 S ATOM 0 H CYS A 14 5.415 10.551 2.680 1.00 0.84 H new ATOM 0 HA CYS A 14 7.191 12.570 1.787 1.00 0.79 H new ATOM 0 HB2 CYS A 14 8.604 11.717 3.669 1.00 0.96 H new ATOM 0 HB3 CYS A 14 8.482 10.089 3.032 1.00 0.96 H new ATOM 0 HG CYS A 14 10.963 11.194 2.149 1.00 1.76 H new ATOM 218 N THR A 15 7.155 11.303 -0.394 1.00 0.76 N ATOM 219 CA THR A 15 7.091 10.644 -1.693 1.00 0.74 C ATOM 220 C THR A 15 8.008 9.417 -1.767 1.00 0.67 C ATOM 221 O THR A 15 7.612 8.377 -2.283 1.00 0.64 O ATOM 222 CB THR A 15 7.444 11.686 -2.762 1.00 0.85 C ATOM 223 OG1 THR A 15 6.821 12.909 -2.419 1.00 1.37 O ATOM 224 CG2 THR A 15 6.998 11.250 -4.160 1.00 1.29 C ATOM 0 H THR A 15 7.307 12.309 -0.464 1.00 0.76 H new ATOM 0 HA THR A 15 6.084 10.262 -1.861 1.00 0.74 H new ATOM 0 HB THR A 15 8.528 11.798 -2.791 1.00 0.85 H new ATOM 0 HG1 THR A 15 7.038 13.587 -3.092 1.00 1.37 H new ATOM 0 HG21 THR A 15 7.269 12.018 -4.884 1.00 1.29 H new ATOM 0 HG22 THR A 15 7.490 10.314 -4.423 1.00 1.29 H new ATOM 0 HG23 THR A 15 5.917 11.107 -4.169 1.00 1.29 H new ATOM 232 N ASN A 16 9.230 9.514 -1.232 1.00 0.68 N ATOM 233 CA ASN A 16 10.162 8.396 -1.183 1.00 0.67 C ATOM 234 C ASN A 16 9.529 7.168 -0.524 1.00 0.58 C ATOM 235 O ASN A 16 9.709 6.042 -0.978 1.00 0.55 O ATOM 236 CB ASN A 16 11.432 8.802 -0.430 1.00 0.78 C ATOM 237 CG ASN A 16 12.425 7.644 -0.366 1.00 2.06 C ATOM 238 OD1 ASN A 16 12.788 7.074 -1.387 1.00 2.85 O ATOM 239 ND2 ASN A 16 12.879 7.284 0.832 1.00 3.40 N ATOM 0 H ASN A 16 9.595 10.373 -0.822 1.00 0.68 H new ATOM 0 HA ASN A 16 10.420 8.130 -2.208 1.00 0.67 H new ATOM 0 HB2 ASN A 16 11.895 9.656 -0.925 1.00 0.78 H new ATOM 0 HB3 ASN A 16 11.174 9.120 0.580 1.00 0.78 H new ATOM 0 HD21 ASN A 16 13.546 6.516 0.915 1.00 3.40 H new ATOM 0 HD22 ASN A 16 12.560 7.776 1.667 1.00 3.40 H new ATOM 246 N CYS A 17 8.770 7.390 0.551 1.00 0.60 N ATOM 247 CA CYS A 17 8.080 6.324 1.261 1.00 0.56 C ATOM 248 C CYS A 17 7.052 5.683 0.336 1.00 0.43 C ATOM 249 O CYS A 17 6.999 4.463 0.201 1.00 0.37 O ATOM 250 CB CYS A 17 7.389 6.909 2.487 1.00 0.74 C ATOM 251 SG CYS A 17 6.861 5.595 3.606 1.00 2.46 S ATOM 0 H CYS A 17 8.620 8.317 0.950 1.00 0.60 H new ATOM 0 HA CYS A 17 8.794 5.564 1.578 1.00 0.56 H new ATOM 0 HB2 CYS A 17 8.068 7.585 3.006 1.00 0.74 H new ATOM 0 HB3 CYS A 17 6.526 7.499 2.178 1.00 0.74 H new ATOM 0 HG CYS A 17 7.902 5.068 4.179 1.00 2.46 H new ATOM 257 N ALA A 18 6.262 6.519 -0.348 1.00 0.45 N ATOM 258 CA ALA A 18 5.305 6.061 -1.347 1.00 0.43 C ATOM 259 C ALA A 18 5.996 5.233 -2.433 1.00 0.42 C ATOM 260 O ALA A 18 5.480 4.191 -2.835 1.00 0.43 O ATOM 261 CB ALA A 18 4.546 7.245 -1.952 1.00 0.54 C ATOM 0 H ALA A 18 6.273 7.531 -0.220 1.00 0.45 H new ATOM 0 HA ALA A 18 4.581 5.415 -0.851 1.00 0.43 H new ATOM 0 HB1 ALA A 18 3.837 6.881 -2.695 1.00 0.54 H new ATOM 0 HB2 ALA A 18 4.008 7.773 -1.165 1.00 0.54 H new ATOM 0 HB3 ALA A 18 5.252 7.925 -2.427 1.00 0.54 H new ATOM 267 N ALA A 19 7.164 5.688 -2.892 1.00 0.47 N ATOM 268 CA ALA A 19 7.921 5.001 -3.935 1.00 0.53 C ATOM 269 C ALA A 19 8.363 3.622 -3.435 1.00 0.50 C ATOM 270 O ALA A 19 8.161 2.604 -4.098 1.00 0.54 O ATOM 271 CB ALA A 19 9.116 5.853 -4.372 1.00 0.63 C ATOM 0 H ALA A 19 7.609 6.540 -2.551 1.00 0.47 H new ATOM 0 HA ALA A 19 7.285 4.855 -4.808 1.00 0.53 H new ATOM 0 HB1 ALA A 19 9.671 5.329 -5.150 1.00 0.63 H new ATOM 0 HB2 ALA A 19 8.760 6.807 -4.761 1.00 0.63 H new ATOM 0 HB3 ALA A 19 9.768 6.030 -3.517 1.00 0.63 H new ATOM 277 N LYS A 20 8.954 3.590 -2.240 1.00 0.49 N ATOM 278 CA LYS A 20 9.342 2.352 -1.584 1.00 0.51 C ATOM 279 C LYS A 20 8.128 1.417 -1.500 1.00 0.45 C ATOM 280 O LYS A 20 8.214 0.249 -1.878 1.00 0.50 O ATOM 281 CB LYS A 20 9.940 2.699 -0.213 1.00 0.56 C ATOM 282 CG LYS A 20 10.751 1.556 0.415 1.00 0.69 C ATOM 283 CD LYS A 20 11.586 2.073 1.601 1.00 1.63 C ATOM 284 CE LYS A 20 10.699 2.326 2.828 1.00 3.20 C ATOM 285 NZ LYS A 20 11.406 2.991 3.938 1.00 4.22 N ATOM 0 H LYS A 20 9.176 4.428 -1.702 1.00 0.49 H new ATOM 0 HA LYS A 20 10.105 1.818 -2.150 1.00 0.51 H new ATOM 0 HB2 LYS A 20 10.582 3.573 -0.318 1.00 0.56 H new ATOM 0 HB3 LYS A 20 9.133 2.976 0.466 1.00 0.56 H new ATOM 0 HG2 LYS A 20 10.078 0.768 0.753 1.00 0.69 H new ATOM 0 HG3 LYS A 20 11.408 1.114 -0.334 1.00 0.69 H new ATOM 0 HD2 LYS A 20 12.359 1.346 1.850 1.00 1.63 H new ATOM 0 HD3 LYS A 20 12.094 2.995 1.318 1.00 1.63 H new ATOM 0 HE2 LYS A 20 9.848 2.939 2.531 1.00 3.20 H new ATOM 0 HE3 LYS A 20 10.300 1.375 3.180 1.00 3.20 H new ATOM 0 HZ1 LYS A 20 11.093 2.584 4.842 1.00 4.22 H new ATOM 0 HZ2 LYS A 20 12.431 2.849 3.831 1.00 4.22 H new ATOM 0 HZ3 LYS A 20 11.194 4.009 3.924 1.00 4.22 H new ATOM 299 N PHE A 21 6.993 1.951 -1.039 1.00 0.39 N ATOM 300 CA PHE A 21 5.736 1.228 -0.959 1.00 0.39 C ATOM 301 C PHE A 21 5.347 0.615 -2.298 1.00 0.45 C ATOM 302 O PHE A 21 5.263 -0.606 -2.382 1.00 0.52 O ATOM 303 CB PHE A 21 4.605 2.119 -0.426 1.00 0.36 C ATOM 304 CG PHE A 21 4.323 1.919 1.039 1.00 0.92 C ATOM 305 CD1 PHE A 21 3.789 0.692 1.473 1.00 1.64 C ATOM 306 CD2 PHE A 21 4.554 2.956 1.960 1.00 2.49 C ATOM 307 CE1 PHE A 21 3.448 0.516 2.821 1.00 1.83 C ATOM 308 CE2 PHE A 21 4.270 2.757 3.318 1.00 2.83 C ATOM 309 CZ PHE A 21 3.691 1.549 3.741 1.00 1.79 C ATOM 0 H PHE A 21 6.929 2.913 -0.708 1.00 0.39 H new ATOM 0 HA PHE A 21 5.889 0.413 -0.251 1.00 0.39 H new ATOM 0 HB2 PHE A 21 4.864 3.164 -0.599 1.00 0.36 H new ATOM 0 HB3 PHE A 21 3.696 1.918 -0.994 1.00 0.36 H new ATOM 0 HD1 PHE A 21 3.642 -0.113 0.768 1.00 1.64 H new ATOM 0 HD2 PHE A 21 4.949 3.903 1.622 1.00 2.49 H new ATOM 0 HE1 PHE A 21 3.000 -0.410 3.151 1.00 1.83 H new ATOM 0 HE2 PHE A 21 4.496 3.530 4.037 1.00 2.83 H new ATOM 0 HZ PHE A 21 3.431 1.414 4.780 1.00 1.79 H new ATOM 319 N GLU A 22 5.059 1.428 -3.326 1.00 0.41 N ATOM 320 CA GLU A 22 4.506 0.889 -4.565 1.00 0.43 C ATOM 321 C GLU A 22 5.400 -0.210 -5.124 1.00 0.42 C ATOM 322 O GLU A 22 4.899 -1.243 -5.554 1.00 0.43 O ATOM 323 CB GLU A 22 4.183 1.972 -5.603 1.00 0.45 C ATOM 324 CG GLU A 22 5.347 2.822 -6.120 1.00 0.57 C ATOM 325 CD GLU A 22 5.924 2.277 -7.418 1.00 1.30 C ATOM 326 OE1 GLU A 22 5.228 2.431 -8.445 1.00 1.62 O ATOM 327 OE2 GLU A 22 7.012 1.671 -7.391 1.00 2.87 O ATOM 0 H GLU A 22 5.198 2.438 -3.321 1.00 0.41 H new ATOM 0 HA GLU A 22 3.545 0.439 -4.317 1.00 0.43 H new ATOM 0 HB2 GLU A 22 3.713 1.488 -6.459 1.00 0.45 H new ATOM 0 HB3 GLU A 22 3.442 2.644 -5.170 1.00 0.45 H new ATOM 0 HG2 GLU A 22 5.006 3.845 -6.277 1.00 0.57 H new ATOM 0 HG3 GLU A 22 6.131 2.860 -5.364 1.00 0.57 H new ATOM 334 N ARG A 23 6.717 -0.016 -5.063 1.00 0.41 N ATOM 335 CA ARG A 23 7.662 -1.031 -5.498 1.00 0.41 C ATOM 336 C ARG A 23 7.507 -2.299 -4.647 1.00 0.41 C ATOM 337 O ARG A 23 7.401 -3.398 -5.191 1.00 0.46 O ATOM 338 CB ARG A 23 9.089 -0.475 -5.433 1.00 0.45 C ATOM 339 CG ARG A 23 10.005 -1.274 -6.365 1.00 0.66 C ATOM 340 CD ARG A 23 11.477 -0.933 -6.116 1.00 1.18 C ATOM 341 NE ARG A 23 12.327 -1.545 -7.150 1.00 1.48 N ATOM 342 CZ ARG A 23 13.663 -1.660 -7.093 1.00 2.31 C ATOM 343 NH1 ARG A 23 14.325 -1.226 -6.016 1.00 3.43 N ATOM 344 NH2 ARG A 23 14.329 -2.204 -8.117 1.00 2.78 N ATOM 0 H ARG A 23 7.150 0.839 -4.715 1.00 0.41 H new ATOM 0 HA ARG A 23 7.454 -1.302 -6.533 1.00 0.41 H new ATOM 0 HB2 ARG A 23 9.092 0.576 -5.720 1.00 0.45 H new ATOM 0 HB3 ARG A 23 9.462 -0.527 -4.410 1.00 0.45 H new ATOM 0 HG2 ARG A 23 9.845 -2.341 -6.211 1.00 0.66 H new ATOM 0 HG3 ARG A 23 9.749 -1.060 -7.403 1.00 0.66 H new ATOM 0 HD2 ARG A 23 11.612 0.149 -6.119 1.00 1.18 H new ATOM 0 HD3 ARG A 23 11.778 -1.289 -5.131 1.00 1.18 H new ATOM 0 HE ARG A 23 11.862 -1.913 -7.980 1.00 1.48 H new ATOM 0 HH11 ARG A 23 13.815 -0.808 -5.238 1.00 3.43 H new ATOM 0 HH12 ARG A 23 15.340 -1.313 -5.972 1.00 3.43 H new ATOM 0 HH21 ARG A 23 13.822 -2.531 -8.939 1.00 2.78 H new ATOM 0 HH22 ARG A 23 15.344 -2.292 -8.076 1.00 2.78 H new ATOM 358 N ASN A 24 7.478 -2.161 -3.316 1.00 0.39 N ATOM 359 CA ASN A 24 7.311 -3.313 -2.431 1.00 0.44 C ATOM 360 C ASN A 24 6.017 -4.060 -2.763 1.00 0.44 C ATOM 361 O ASN A 24 5.992 -5.285 -2.799 1.00 0.46 O ATOM 362 CB ASN A 24 7.348 -2.899 -0.946 1.00 0.59 C ATOM 363 CG ASN A 24 8.072 -3.921 -0.073 1.00 0.97 C ATOM 364 OD1 ASN A 24 8.121 -5.107 -0.374 1.00 2.40 O ATOM 365 ND2 ASN A 24 8.658 -3.461 1.030 1.00 1.06 N ATOM 0 H ASN A 24 7.568 -1.267 -2.833 1.00 0.39 H new ATOM 0 HA ASN A 24 8.151 -3.988 -2.598 1.00 0.44 H new ATOM 0 HB2 ASN A 24 7.842 -1.932 -0.854 1.00 0.59 H new ATOM 0 HB3 ASN A 24 6.329 -2.772 -0.582 1.00 0.59 H new ATOM 0 HD21 ASN A 24 9.161 -4.101 1.645 1.00 1.06 H new ATOM 0 HD22 ASN A 24 8.604 -2.469 1.260 1.00 1.06 H new ATOM 372 N VAL A 25 4.935 -3.325 -3.037 1.00 0.43 N ATOM 373 CA VAL A 25 3.672 -3.918 -3.456 1.00 0.43 C ATOM 374 C VAL A 25 3.823 -4.618 -4.809 1.00 0.40 C ATOM 375 O VAL A 25 3.361 -5.741 -4.977 1.00 0.37 O ATOM 376 CB VAL A 25 2.554 -2.864 -3.463 1.00 0.47 C ATOM 377 CG1 VAL A 25 1.234 -3.509 -3.898 1.00 0.47 C ATOM 378 CG2 VAL A 25 2.369 -2.280 -2.060 1.00 0.49 C ATOM 0 H VAL A 25 4.915 -2.307 -2.974 1.00 0.43 H new ATOM 0 HA VAL A 25 3.386 -4.682 -2.734 1.00 0.43 H new ATOM 0 HB VAL A 25 2.832 -2.072 -4.158 1.00 0.47 H new ATOM 0 HG11 VAL A 25 0.445 -2.757 -3.901 1.00 0.47 H new ATOM 0 HG12 VAL A 25 1.344 -3.923 -4.900 1.00 0.47 H new ATOM 0 HG13 VAL A 25 0.972 -4.307 -3.203 1.00 0.47 H new ATOM 0 HG21 VAL A 25 1.574 -1.534 -2.078 1.00 0.49 H new ATOM 0 HG22 VAL A 25 2.103 -3.077 -1.366 1.00 0.49 H new ATOM 0 HG23 VAL A 25 3.298 -1.812 -1.735 1.00 0.49 H new ATOM 388 N LYS A 26 4.466 -3.971 -5.780 1.00 0.43 N ATOM 389 CA LYS A 26 4.732 -4.535 -7.091 1.00 0.39 C ATOM 390 C LYS A 26 5.521 -5.848 -7.004 1.00 0.36 C ATOM 391 O LYS A 26 5.277 -6.751 -7.801 1.00 0.37 O ATOM 392 CB LYS A 26 5.425 -3.450 -7.921 1.00 0.40 C ATOM 393 CG LYS A 26 4.372 -2.474 -8.459 1.00 0.52 C ATOM 394 CD LYS A 26 5.055 -1.189 -8.929 1.00 0.62 C ATOM 395 CE LYS A 26 4.127 -0.396 -9.860 1.00 0.64 C ATOM 396 NZ LYS A 26 4.806 0.784 -10.430 1.00 1.70 N ATOM 0 H LYS A 26 4.821 -3.021 -5.669 1.00 0.43 H new ATOM 0 HA LYS A 26 3.804 -4.821 -7.586 1.00 0.39 H new ATOM 0 HB2 LYS A 26 6.153 -2.917 -7.309 1.00 0.40 H new ATOM 0 HB3 LYS A 26 5.974 -3.903 -8.747 1.00 0.40 H new ATOM 0 HG2 LYS A 26 3.827 -2.931 -9.285 1.00 0.52 H new ATOM 0 HG3 LYS A 26 3.642 -2.246 -7.682 1.00 0.52 H new ATOM 0 HD2 LYS A 26 5.325 -0.578 -8.068 1.00 0.62 H new ATOM 0 HD3 LYS A 26 5.981 -1.432 -9.450 1.00 0.62 H new ATOM 0 HE2 LYS A 26 3.782 -1.042 -10.667 1.00 0.64 H new ATOM 0 HE3 LYS A 26 3.244 -0.076 -9.307 1.00 0.64 H new ATOM 0 HZ1 LYS A 26 4.178 1.247 -11.118 1.00 1.70 H new ATOM 0 HZ2 LYS A 26 5.038 1.453 -9.668 1.00 1.70 H new ATOM 0 HZ3 LYS A 26 5.681 0.485 -10.906 1.00 1.70 H new ATOM 410 N GLU A 27 6.423 -5.990 -6.027 1.00 0.35 N ATOM 411 CA GLU A 27 7.096 -7.262 -5.766 1.00 0.33 C ATOM 412 C GLU A 27 6.120 -8.386 -5.356 1.00 0.33 C ATOM 413 O GLU A 27 6.468 -9.559 -5.465 1.00 0.48 O ATOM 414 CB GLU A 27 8.193 -7.072 -4.708 1.00 0.41 C ATOM 415 CG GLU A 27 9.350 -6.185 -5.199 1.00 0.60 C ATOM 416 CD GLU A 27 10.568 -6.996 -5.627 1.00 1.61 C ATOM 417 OE1 GLU A 27 11.160 -7.639 -4.733 1.00 2.31 O ATOM 418 OE2 GLU A 27 10.908 -6.929 -6.829 1.00 2.65 O ATOM 0 H GLU A 27 6.703 -5.234 -5.402 1.00 0.35 H new ATOM 0 HA GLU A 27 7.552 -7.582 -6.703 1.00 0.33 H new ATOM 0 HB2 GLU A 27 7.756 -6.628 -3.814 1.00 0.41 H new ATOM 0 HB3 GLU A 27 8.586 -8.047 -4.420 1.00 0.41 H new ATOM 0 HG2 GLU A 27 9.008 -5.579 -6.038 1.00 0.60 H new ATOM 0 HG3 GLU A 27 9.637 -5.496 -4.405 1.00 0.60 H new ATOM 425 N ILE A 28 4.916 -8.072 -4.857 1.00 0.32 N ATOM 426 CA ILE A 28 3.973 -9.090 -4.403 1.00 0.34 C ATOM 427 C ILE A 28 3.271 -9.749 -5.594 1.00 0.38 C ATOM 428 O ILE A 28 2.322 -9.220 -6.179 1.00 0.71 O ATOM 429 CB ILE A 28 2.916 -8.519 -3.453 1.00 0.39 C ATOM 430 CG1 ILE A 28 3.470 -7.676 -2.291 1.00 0.43 C ATOM 431 CG2 ILE A 28 1.964 -9.606 -2.929 1.00 0.50 C ATOM 432 CD1 ILE A 28 4.284 -8.468 -1.265 1.00 2.35 C ATOM 0 H ILE A 28 4.576 -7.115 -4.760 1.00 0.32 H new ATOM 0 HA ILE A 28 4.557 -9.833 -3.859 1.00 0.34 H new ATOM 0 HB ILE A 28 2.353 -7.823 -4.075 1.00 0.39 H new ATOM 0 HG12 ILE A 28 4.097 -6.884 -2.700 1.00 0.43 H new ATOM 0 HG13 ILE A 28 2.637 -7.192 -1.780 1.00 0.43 H new ATOM 0 HG21 ILE A 28 1.231 -9.156 -2.259 1.00 0.50 H new ATOM 0 HG22 ILE A 28 1.449 -10.074 -3.768 1.00 0.50 H new ATOM 0 HG23 ILE A 28 2.535 -10.360 -2.388 1.00 0.50 H new ATOM 0 HD11 ILE A 28 4.635 -7.796 -0.482 1.00 2.35 H new ATOM 0 HD12 ILE A 28 3.658 -9.243 -0.824 1.00 2.35 H new ATOM 0 HD13 ILE A 28 5.140 -8.930 -1.758 1.00 2.35 H new ATOM 444 N GLU A 29 3.672 -10.981 -5.857 1.00 0.49 N ATOM 445 CA GLU A 29 2.976 -11.933 -6.683 1.00 0.44 C ATOM 446 C GLU A 29 1.656 -12.300 -6.001 1.00 0.81 C ATOM 447 O GLU A 29 1.566 -13.272 -5.252 1.00 2.40 O ATOM 448 CB GLU A 29 3.887 -13.146 -6.851 1.00 0.71 C ATOM 449 CG GLU A 29 5.065 -12.866 -7.793 1.00 1.07 C ATOM 450 CD GLU A 29 5.827 -14.146 -8.111 1.00 1.45 C ATOM 451 OE1 GLU A 29 5.214 -15.016 -8.768 1.00 2.57 O ATOM 452 OE2 GLU A 29 6.997 -14.241 -7.685 1.00 2.28 O ATOM 0 H GLU A 29 4.540 -11.357 -5.476 1.00 0.49 H new ATOM 0 HA GLU A 29 2.740 -11.529 -7.667 1.00 0.44 H new ATOM 0 HB2 GLU A 29 4.269 -13.448 -5.876 1.00 0.71 H new ATOM 0 HB3 GLU A 29 3.306 -13.983 -7.239 1.00 0.71 H new ATOM 0 HG2 GLU A 29 4.698 -12.418 -8.717 1.00 1.07 H new ATOM 0 HG3 GLU A 29 5.738 -12.142 -7.334 1.00 1.07 H new ATOM 459 N GLY A 30 0.638 -11.479 -6.243 1.00 0.82 N ATOM 460 CA GLY A 30 -0.674 -11.597 -5.626 1.00 0.86 C ATOM 461 C GLY A 30 -1.597 -10.485 -6.118 1.00 0.83 C ATOM 462 O GLY A 30 -2.778 -10.707 -6.381 1.00 0.99 O ATOM 0 H GLY A 30 0.707 -10.694 -6.891 1.00 0.82 H new ATOM 0 HA2 GLY A 30 -1.108 -12.569 -5.862 1.00 0.86 H new ATOM 0 HA3 GLY A 30 -0.579 -11.545 -4.541 1.00 0.86 H new ATOM 466 N VAL A 31 -1.057 -9.271 -6.250 1.00 0.72 N ATOM 467 CA VAL A 31 -1.741 -8.167 -6.880 1.00 0.64 C ATOM 468 C VAL A 31 -1.272 -8.077 -8.338 1.00 0.55 C ATOM 469 O VAL A 31 -0.197 -8.573 -8.672 1.00 0.74 O ATOM 470 CB VAL A 31 -1.480 -6.915 -6.035 1.00 0.79 C ATOM 471 CG1 VAL A 31 -0.018 -6.471 -6.037 1.00 0.85 C ATOM 472 CG2 VAL A 31 -2.350 -5.765 -6.511 1.00 0.82 C ATOM 0 H VAL A 31 -0.122 -9.037 -5.915 1.00 0.72 H new ATOM 0 HA VAL A 31 -2.823 -8.293 -6.923 1.00 0.64 H new ATOM 0 HB VAL A 31 -1.733 -7.188 -5.011 1.00 0.79 H new ATOM 0 HG11 VAL A 31 0.092 -5.580 -5.419 1.00 0.85 H new ATOM 0 HG12 VAL A 31 0.606 -7.270 -5.636 1.00 0.85 H new ATOM 0 HG13 VAL A 31 0.292 -6.246 -7.057 1.00 0.85 H new ATOM 0 HG21 VAL A 31 -2.153 -4.883 -5.901 1.00 0.82 H new ATOM 0 HG22 VAL A 31 -2.122 -5.543 -7.554 1.00 0.82 H new ATOM 0 HG23 VAL A 31 -3.400 -6.042 -6.420 1.00 0.82 H new ATOM 482 N THR A 32 -2.085 -7.475 -9.205 1.00 0.52 N ATOM 483 CA THR A 32 -1.795 -7.258 -10.614 1.00 0.53 C ATOM 484 C THR A 32 -1.462 -5.784 -10.796 1.00 0.53 C ATOM 485 O THR A 32 -0.381 -5.463 -11.284 1.00 0.59 O ATOM 486 CB THR A 32 -2.990 -7.694 -11.475 1.00 0.56 C ATOM 487 OG1 THR A 32 -3.304 -9.038 -11.176 1.00 0.63 O ATOM 488 CG2 THR A 32 -2.691 -7.573 -12.972 1.00 0.65 C ATOM 0 H THR A 32 -2.998 -7.113 -8.930 1.00 0.52 H new ATOM 0 HA THR A 32 -0.945 -7.858 -10.937 1.00 0.53 H new ATOM 0 HB THR A 32 -3.829 -7.036 -11.246 1.00 0.56 H new ATOM 0 HG1 THR A 32 -4.067 -9.324 -11.720 1.00 0.63 H new ATOM 0 HG21 THR A 32 -3.563 -7.891 -13.544 1.00 0.65 H new ATOM 0 HG22 THR A 32 -2.457 -6.536 -13.214 1.00 0.65 H new ATOM 0 HG23 THR A 32 -1.840 -8.205 -13.225 1.00 0.65 H new ATOM 496 N GLU A 33 -2.367 -4.899 -10.362 1.00 0.51 N ATOM 497 CA GLU A 33 -2.062 -3.472 -10.303 1.00 0.52 C ATOM 498 C GLU A 33 -2.342 -2.949 -8.902 1.00 0.53 C ATOM 499 O GLU A 33 -3.384 -3.255 -8.333 1.00 0.86 O ATOM 500 CB GLU A 33 -2.866 -2.688 -11.345 1.00 0.56 C ATOM 501 CG GLU A 33 -2.479 -3.083 -12.773 1.00 0.73 C ATOM 502 CD GLU A 33 -2.919 -2.018 -13.769 1.00 1.39 C ATOM 503 OE1 GLU A 33 -4.096 -1.607 -13.671 1.00 2.42 O ATOM 504 OE2 GLU A 33 -2.066 -1.615 -14.587 1.00 2.11 O ATOM 0 H GLU A 33 -3.306 -5.146 -10.050 1.00 0.51 H new ATOM 0 HA GLU A 33 -1.006 -3.332 -10.533 1.00 0.52 H new ATOM 0 HB2 GLU A 33 -3.930 -2.867 -11.194 1.00 0.56 H new ATOM 0 HB3 GLU A 33 -2.699 -1.620 -11.205 1.00 0.56 H new ATOM 0 HG2 GLU A 33 -1.400 -3.222 -12.836 1.00 0.73 H new ATOM 0 HG3 GLU A 33 -2.939 -4.038 -13.028 1.00 0.73 H new ATOM 511 N ALA A 34 -1.430 -2.150 -8.344 1.00 0.43 N ATOM 512 CA ALA A 34 -1.671 -1.430 -7.107 1.00 0.43 C ATOM 513 C ALA A 34 -1.339 0.033 -7.344 1.00 0.43 C ATOM 514 O ALA A 34 -0.236 0.324 -7.807 1.00 0.49 O ATOM 515 CB ALA A 34 -0.808 -2.002 -5.986 1.00 0.52 C ATOM 0 H ALA A 34 -0.505 -1.989 -8.743 1.00 0.43 H new ATOM 0 HA ALA A 34 -2.714 -1.531 -6.807 1.00 0.43 H new ATOM 0 HB1 ALA A 34 -0.999 -1.453 -5.064 1.00 0.52 H new ATOM 0 HB2 ALA A 34 -1.053 -3.054 -5.839 1.00 0.52 H new ATOM 0 HB3 ALA A 34 0.245 -1.908 -6.253 1.00 0.52 H new ATOM 521 N ILE A 35 -2.273 0.944 -7.049 1.00 0.48 N ATOM 522 CA ILE A 35 -2.035 2.374 -7.230 1.00 0.49 C ATOM 523 C ILE A 35 -1.968 2.999 -5.844 1.00 0.46 C ATOM 524 O ILE A 35 -2.998 3.179 -5.190 1.00 0.46 O ATOM 525 CB ILE A 35 -3.096 3.013 -8.145 1.00 0.48 C ATOM 526 CG1 ILE A 35 -3.181 2.323 -9.521 1.00 0.54 C ATOM 527 CG2 ILE A 35 -2.817 4.514 -8.310 1.00 0.51 C ATOM 528 CD1 ILE A 35 -1.876 2.349 -10.328 1.00 2.22 C ATOM 0 H ILE A 35 -3.198 0.714 -6.685 1.00 0.48 H new ATOM 0 HA ILE A 35 -1.091 2.553 -7.745 1.00 0.49 H new ATOM 0 HB ILE A 35 -4.064 2.877 -7.663 1.00 0.48 H new ATOM 0 HG12 ILE A 35 -3.482 1.286 -9.375 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -3.965 2.803 -10.106 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.573 4.955 -8.959 1.00 0.51 H new ATOM 0 HG22 ILE A 35 -2.848 4.999 -7.334 1.00 0.51 H new ATOM 0 HG23 ILE A 35 -1.831 4.654 -8.754 1.00 0.51 H new ATOM 0 HD11 ILE A 35 -2.027 1.842 -11.281 1.00 2.22 H new ATOM 0 HD12 ILE A 35 -1.581 3.382 -10.510 1.00 2.22 H new ATOM 0 HD13 ILE A 35 -1.091 1.841 -9.767 1.00 2.22 H new ATOM 540 N VAL A 36 -0.749 3.278 -5.371 1.00 0.54 N ATOM 541 CA VAL A 36 -0.547 3.790 -4.031 1.00 0.56 C ATOM 542 C VAL A 36 -0.512 5.313 -4.040 1.00 0.57 C ATOM 543 O VAL A 36 -0.006 5.920 -4.981 1.00 0.75 O ATOM 544 CB VAL A 36 0.700 3.178 -3.381 1.00 0.63 C ATOM 545 CG1 VAL A 36 0.945 1.730 -3.829 1.00 2.04 C ATOM 546 CG2 VAL A 36 1.956 4.038 -3.564 1.00 1.70 C ATOM 0 H VAL A 36 0.110 3.154 -5.907 1.00 0.54 H new ATOM 0 HA VAL A 36 -1.394 3.489 -3.414 1.00 0.56 H new ATOM 0 HB VAL A 36 0.488 3.156 -2.312 1.00 0.63 H new ATOM 0 HG11 VAL A 36 1.839 1.344 -3.340 1.00 2.04 H new ATOM 0 HG12 VAL A 36 0.088 1.115 -3.556 1.00 2.04 H new ATOM 0 HG13 VAL A 36 1.082 1.702 -4.910 1.00 2.04 H new ATOM 0 HG21 VAL A 36 2.804 3.551 -3.082 1.00 1.70 H new ATOM 0 HG22 VAL A 36 2.163 4.158 -4.627 1.00 1.70 H new ATOM 0 HG23 VAL A 36 1.795 5.017 -3.113 1.00 1.70 H new ATOM 556 N ASN A 37 -1.021 5.930 -2.974 1.00 0.71 N ATOM 557 CA ASN A 37 -0.937 7.365 -2.753 1.00 0.78 C ATOM 558 C ASN A 37 -0.661 7.584 -1.264 1.00 0.97 C ATOM 559 O ASN A 37 -1.374 8.324 -0.585 1.00 1.79 O ATOM 560 CB ASN A 37 -2.230 8.063 -3.201 1.00 0.83 C ATOM 561 CG ASN A 37 -2.647 7.761 -4.637 1.00 1.10 C ATOM 562 OD1 ASN A 37 -2.460 8.577 -5.532 1.00 1.50 O ATOM 563 ND2 ASN A 37 -3.274 6.608 -4.859 1.00 2.04 N ATOM 0 H ASN A 37 -1.511 5.434 -2.230 1.00 0.71 H new ATOM 0 HA ASN A 37 -0.132 7.800 -3.346 1.00 0.78 H new ATOM 0 HB2 ASN A 37 -3.038 7.768 -2.532 1.00 0.83 H new ATOM 0 HB3 ASN A 37 -2.103 9.140 -3.092 1.00 0.83 H new ATOM 0 HD21 ASN A 37 -3.614 6.384 -5.794 1.00 2.04 H new ATOM 0 HD22 ASN A 37 -3.415 5.949 -4.094 1.00 2.04 H new ATOM 570 N PHE A 38 0.372 6.905 -0.755 1.00 1.29 N ATOM 571 CA PHE A 38 0.860 7.082 0.606 1.00 1.46 C ATOM 572 C PHE A 38 1.309 8.530 0.794 1.00 1.75 C ATOM 573 O PHE A 38 2.176 9.002 0.063 1.00 2.76 O ATOM 574 CB PHE A 38 2.041 6.139 0.875 1.00 1.86 C ATOM 575 CG PHE A 38 1.665 4.691 1.084 1.00 1.89 C ATOM 576 CD1 PHE A 38 1.622 3.802 0.002 1.00 2.30 C ATOM 577 CD2 PHE A 38 1.440 4.207 2.382 1.00 2.78 C ATOM 578 CE1 PHE A 38 1.192 2.478 0.192 1.00 2.62 C ATOM 579 CE2 PHE A 38 0.993 2.888 2.573 1.00 3.14 C ATOM 580 CZ PHE A 38 0.825 2.036 1.472 1.00 2.71 C ATOM 0 H PHE A 38 0.895 6.210 -1.287 1.00 1.29 H new ATOM 0 HA PHE A 38 0.058 6.849 1.306 1.00 1.46 H new ATOM 0 HB2 PHE A 38 2.735 6.202 0.037 1.00 1.86 H new ATOM 0 HB3 PHE A 38 2.575 6.492 1.758 1.00 1.86 H new ATOM 0 HD1 PHE A 38 1.920 4.135 -0.981 1.00 2.30 H new ATOM 0 HD2 PHE A 38 1.610 4.848 3.234 1.00 2.78 H new ATOM 0 HE1 PHE A 38 1.144 1.800 -0.648 1.00 2.62 H new ATOM 0 HE2 PHE A 38 0.779 2.530 3.569 1.00 3.14 H new ATOM 0 HZ PHE A 38 0.416 1.046 1.608 1.00 2.71 H new ATOM 590 N GLY A 39 0.737 9.220 1.779 1.00 1.85 N ATOM 591 CA GLY A 39 1.100 10.585 2.116 1.00 2.08 C ATOM 592 C GLY A 39 -0.087 11.265 2.780 1.00 1.95 C ATOM 593 O GLY A 39 -0.017 11.672 3.933 1.00 2.76 O ATOM 0 H GLY A 39 -0.001 8.837 2.370 1.00 1.85 H new ATOM 0 HA2 GLY A 39 1.960 10.591 2.786 1.00 2.08 H new ATOM 0 HA3 GLY A 39 1.391 11.129 1.218 1.00 2.08 H new ATOM 597 N ALA A 40 -1.195 11.348 2.042 1.00 1.39 N ATOM 598 CA ALA A 40 -2.453 11.900 2.524 1.00 1.25 C ATOM 599 C ALA A 40 -3.558 11.450 1.571 1.00 1.00 C ATOM 600 O ALA A 40 -4.240 12.264 0.947 1.00 1.80 O ATOM 601 CB ALA A 40 -2.355 13.429 2.616 1.00 2.12 C ATOM 0 H ALA A 40 -1.240 11.026 1.075 1.00 1.39 H new ATOM 0 HA ALA A 40 -2.682 11.539 3.527 1.00 1.25 H new ATOM 0 HB1 ALA A 40 -3.301 13.833 2.977 1.00 2.12 H new ATOM 0 HB2 ALA A 40 -1.557 13.702 3.306 1.00 2.12 H new ATOM 0 HB3 ALA A 40 -2.138 13.840 1.630 1.00 2.12 H new ATOM 607 N SER A 41 -3.683 10.134 1.384 1.00 0.77 N ATOM 608 CA SER A 41 -4.676 9.570 0.488 1.00 1.25 C ATOM 609 C SER A 41 -4.982 8.108 0.821 1.00 0.73 C ATOM 610 O SER A 41 -5.636 7.823 1.822 1.00 0.65 O ATOM 611 CB SER A 41 -4.297 9.871 -0.976 1.00 2.37 C ATOM 612 OG SER A 41 -4.972 11.036 -1.409 1.00 2.90 O ATOM 0 H SER A 41 -3.099 9.439 1.850 1.00 0.77 H new ATOM 0 HA SER A 41 -5.638 10.060 0.639 1.00 1.25 H new ATOM 0 HB2 SER A 41 -3.219 10.009 -1.063 1.00 2.37 H new ATOM 0 HB3 SER A 41 -4.562 9.027 -1.612 1.00 2.37 H new ATOM 0 HG SER A 41 -4.880 11.738 -0.732 1.00 2.90 H new ATOM 618 N LYS A 42 -4.625 7.190 -0.076 1.00 0.59 N ATOM 619 CA LYS A 42 -5.103 5.824 -0.059 1.00 0.35 C ATOM 620 C LYS A 42 -4.171 4.936 -0.864 1.00 0.34 C ATOM 621 O LYS A 42 -3.296 5.430 -1.575 1.00 0.51 O ATOM 622 CB LYS A 42 -6.555 5.753 -0.575 1.00 0.66 C ATOM 623 CG LYS A 42 -6.742 6.295 -2.006 1.00 1.13 C ATOM 624 CD LYS A 42 -7.282 7.732 -2.022 1.00 1.62 C ATOM 625 CE LYS A 42 -7.246 8.305 -3.448 1.00 3.22 C ATOM 626 NZ LYS A 42 -7.524 9.759 -3.472 1.00 4.40 N ATOM 0 H LYS A 42 -3.984 7.386 -0.845 1.00 0.59 H new ATOM 0 HA LYS A 42 -5.106 5.457 0.968 1.00 0.35 H new ATOM 0 HB2 LYS A 42 -6.890 4.716 -0.544 1.00 0.66 H new ATOM 0 HB3 LYS A 42 -7.198 6.316 0.102 1.00 0.66 H new ATOM 0 HG2 LYS A 42 -5.788 6.263 -2.531 1.00 1.13 H new ATOM 0 HG3 LYS A 42 -7.428 5.646 -2.551 1.00 1.13 H new ATOM 0 HD2 LYS A 42 -8.304 7.747 -1.644 1.00 1.62 H new ATOM 0 HD3 LYS A 42 -6.687 8.358 -1.357 1.00 1.62 H new ATOM 0 HE2 LYS A 42 -6.267 8.116 -3.889 1.00 3.22 H new ATOM 0 HE3 LYS A 42 -7.979 7.786 -4.065 1.00 3.22 H new ATOM 0 HZ1 LYS A 42 -7.490 10.103 -4.453 1.00 4.40 H new ATOM 0 HZ2 LYS A 42 -8.468 9.938 -3.075 1.00 4.40 H new ATOM 0 HZ3 LYS A 42 -6.810 10.258 -2.905 1.00 4.40 H new ATOM 640 N ILE A 43 -4.401 3.632 -0.771 1.00 0.26 N ATOM 641 CA ILE A 43 -3.653 2.626 -1.495 1.00 0.25 C ATOM 642 C ILE A 43 -4.645 1.646 -2.129 1.00 0.23 C ATOM 643 O ILE A 43 -5.389 0.962 -1.424 1.00 0.24 O ATOM 644 CB ILE A 43 -2.587 2.035 -0.551 1.00 0.27 C ATOM 645 CG1 ILE A 43 -1.614 1.021 -1.174 1.00 0.34 C ATOM 646 CG2 ILE A 43 -3.177 1.505 0.758 1.00 0.31 C ATOM 647 CD1 ILE A 43 -2.229 -0.270 -1.704 1.00 0.80 C ATOM 0 H ILE A 43 -5.131 3.241 -0.175 1.00 0.26 H new ATOM 0 HA ILE A 43 -3.084 3.021 -2.336 1.00 0.25 H new ATOM 0 HB ILE A 43 -1.968 2.903 -0.325 1.00 0.27 H new ATOM 0 HG12 ILE A 43 -1.088 1.511 -1.994 1.00 0.34 H new ATOM 0 HG13 ILE A 43 -0.866 0.761 -0.425 1.00 0.34 H new ATOM 0 HG21 ILE A 43 -2.378 1.102 1.380 1.00 0.31 H new ATOM 0 HG22 ILE A 43 -3.675 2.317 1.288 1.00 0.31 H new ATOM 0 HG23 ILE A 43 -3.899 0.718 0.539 1.00 0.31 H new ATOM 0 HD11 ILE A 43 -1.445 -0.903 -2.118 1.00 0.80 H new ATOM 0 HD12 ILE A 43 -2.728 -0.796 -0.890 1.00 0.80 H new ATOM 0 HD13 ILE A 43 -2.954 -0.035 -2.483 1.00 0.80 H new ATOM 659 N THR A 44 -4.694 1.636 -3.466 1.00 0.25 N ATOM 660 CA THR A 44 -5.518 0.722 -4.243 1.00 0.26 C ATOM 661 C THR A 44 -4.730 -0.529 -4.577 1.00 0.30 C ATOM 662 O THR A 44 -3.547 -0.446 -4.898 1.00 0.36 O ATOM 663 CB THR A 44 -5.982 1.376 -5.543 1.00 0.33 C ATOM 664 OG1 THR A 44 -6.821 2.452 -5.246 1.00 0.44 O ATOM 665 CG2 THR A 44 -6.745 0.420 -6.475 1.00 0.39 C ATOM 0 H THR A 44 -4.150 2.277 -4.043 1.00 0.25 H new ATOM 0 HA THR A 44 -6.391 0.464 -3.643 1.00 0.26 H new ATOM 0 HB THR A 44 -5.079 1.694 -6.064 1.00 0.33 H new ATOM 0 HG1 THR A 44 -7.119 2.874 -6.079 1.00 0.44 H new ATOM 0 HG21 THR A 44 -7.043 0.953 -7.378 1.00 0.39 H new ATOM 0 HG22 THR A 44 -6.101 -0.417 -6.744 1.00 0.39 H new ATOM 0 HG23 THR A 44 -7.632 0.046 -5.965 1.00 0.39 H new ATOM 673 N VAL A 45 -5.432 -1.656 -4.565 1.00 0.34 N ATOM 674 CA VAL A 45 -4.953 -2.982 -4.902 1.00 0.40 C ATOM 675 C VAL A 45 -5.966 -3.582 -5.878 1.00 0.45 C ATOM 676 O VAL A 45 -7.178 -3.472 -5.684 1.00 0.50 O ATOM 677 CB VAL A 45 -4.828 -3.794 -3.599 1.00 0.40 C ATOM 678 CG1 VAL A 45 -4.933 -5.314 -3.773 1.00 0.59 C ATOM 679 CG2 VAL A 45 -3.503 -3.464 -2.906 1.00 0.61 C ATOM 0 H VAL A 45 -6.417 -1.663 -4.301 1.00 0.34 H new ATOM 0 HA VAL A 45 -3.971 -2.977 -5.376 1.00 0.40 H new ATOM 0 HB VAL A 45 -5.684 -3.497 -2.993 1.00 0.40 H new ATOM 0 HG11 VAL A 45 -4.833 -5.799 -2.802 1.00 0.59 H new ATOM 0 HG12 VAL A 45 -5.901 -5.565 -4.206 1.00 0.59 H new ATOM 0 HG13 VAL A 45 -4.139 -5.660 -4.435 1.00 0.59 H new ATOM 0 HG21 VAL A 45 -3.420 -4.041 -1.985 1.00 0.61 H new ATOM 0 HG22 VAL A 45 -2.674 -3.715 -3.567 1.00 0.61 H new ATOM 0 HG23 VAL A 45 -3.470 -2.400 -2.671 1.00 0.61 H new ATOM 689 N THR A 46 -5.490 -4.180 -6.964 1.00 0.48 N ATOM 690 CA THR A 46 -6.303 -4.866 -7.950 1.00 0.56 C ATOM 691 C THR A 46 -5.522 -6.060 -8.406 1.00 0.54 C ATOM 692 O THR A 46 -4.381 -5.934 -8.825 1.00 0.70 O ATOM 693 CB THR A 46 -6.644 -3.934 -9.117 1.00 0.70 C ATOM 694 OG1 THR A 46 -7.403 -2.929 -8.517 1.00 0.70 O ATOM 695 CG2 THR A 46 -7.496 -4.608 -10.194 1.00 0.86 C ATOM 0 H THR A 46 -4.495 -4.199 -7.186 1.00 0.48 H new ATOM 0 HA THR A 46 -7.255 -5.181 -7.522 1.00 0.56 H new ATOM 0 HB THR A 46 -5.738 -3.595 -9.620 1.00 0.70 H new ATOM 0 HG1 THR A 46 -7.671 -2.273 -9.194 1.00 0.70 H new ATOM 0 HG21 THR A 46 -7.703 -3.896 -10.993 1.00 0.86 H new ATOM 0 HG22 THR A 46 -6.957 -5.463 -10.602 1.00 0.86 H new ATOM 0 HG23 THR A 46 -8.435 -4.946 -9.756 1.00 0.86 H new ATOM 703 N GLY A 47 -6.103 -7.235 -8.296 1.00 0.54 N ATOM 704 CA GLY A 47 -5.410 -8.401 -8.797 1.00 0.46 C ATOM 705 C GLY A 47 -6.075 -9.653 -8.245 1.00 0.47 C ATOM 706 O GLY A 47 -7.066 -10.104 -8.804 1.00 0.63 O ATOM 0 H GLY A 47 -7.019 -7.406 -7.881 1.00 0.54 H new ATOM 0 HA2 GLY A 47 -5.433 -8.413 -9.887 1.00 0.46 H new ATOM 0 HA3 GLY A 47 -4.361 -8.371 -8.501 1.00 0.46 H new ATOM 710 N GLU A 48 -5.569 -10.160 -7.114 1.00 0.44 N ATOM 711 CA GLU A 48 -6.228 -11.174 -6.296 1.00 0.48 C ATOM 712 C GLU A 48 -5.535 -11.274 -4.925 1.00 0.57 C ATOM 713 O GLU A 48 -5.126 -12.352 -4.497 1.00 0.72 O ATOM 714 CB GLU A 48 -6.288 -12.528 -7.036 1.00 0.57 C ATOM 715 CG GLU A 48 -7.446 -13.401 -6.523 1.00 0.68 C ATOM 716 CD GLU A 48 -7.593 -14.700 -7.308 1.00 1.43 C ATOM 717 OE1 GLU A 48 -6.568 -15.167 -7.851 1.00 2.06 O ATOM 718 OE2 GLU A 48 -8.734 -15.209 -7.343 1.00 2.34 O ATOM 0 H GLU A 48 -4.668 -9.866 -6.737 1.00 0.44 H new ATOM 0 HA GLU A 48 -7.262 -10.878 -6.118 1.00 0.48 H new ATOM 0 HB2 GLU A 48 -6.408 -12.354 -8.105 1.00 0.57 H new ATOM 0 HB3 GLU A 48 -5.345 -13.058 -6.903 1.00 0.57 H new ATOM 0 HG2 GLU A 48 -7.283 -13.633 -5.471 1.00 0.68 H new ATOM 0 HG3 GLU A 48 -8.376 -12.837 -6.584 1.00 0.68 H new ATOM 725 N ALA A 49 -5.394 -10.148 -4.210 1.00 0.53 N ATOM 726 CA ALA A 49 -4.822 -10.135 -2.866 1.00 0.63 C ATOM 727 C ALA A 49 -5.392 -8.973 -2.048 1.00 0.47 C ATOM 728 O ALA A 49 -6.123 -8.141 -2.582 1.00 0.41 O ATOM 729 CB ALA A 49 -3.295 -10.065 -2.956 1.00 0.81 C ATOM 0 H ALA A 49 -5.673 -9.228 -4.550 1.00 0.53 H new ATOM 0 HA ALA A 49 -5.092 -11.057 -2.351 1.00 0.63 H new ATOM 0 HB1 ALA A 49 -2.871 -10.055 -1.952 1.00 0.81 H new ATOM 0 HB2 ALA A 49 -2.922 -10.934 -3.499 1.00 0.81 H new ATOM 0 HB3 ALA A 49 -3.003 -9.156 -3.482 1.00 0.81 H new ATOM 735 N SER A 50 -5.060 -8.934 -0.751 1.00 0.48 N ATOM 736 CA SER A 50 -5.553 -7.971 0.223 1.00 0.41 C ATOM 737 C SER A 50 -4.414 -7.121 0.783 1.00 0.34 C ATOM 738 O SER A 50 -3.250 -7.521 0.714 1.00 0.36 O ATOM 739 CB SER A 50 -6.207 -8.731 1.379 1.00 0.43 C ATOM 740 OG SER A 50 -7.309 -9.484 0.916 1.00 0.69 O ATOM 0 H SER A 50 -4.411 -9.606 -0.341 1.00 0.48 H new ATOM 0 HA SER A 50 -6.269 -7.315 -0.271 1.00 0.41 H new ATOM 0 HB2 SER A 50 -5.477 -9.393 1.846 1.00 0.43 H new ATOM 0 HB3 SER A 50 -6.535 -8.028 2.145 1.00 0.43 H new ATOM 0 HG SER A 50 -7.715 -9.965 1.667 1.00 0.69 H new ATOM 746 N ILE A 51 -4.758 -5.983 1.405 1.00 0.34 N ATOM 747 CA ILE A 51 -3.784 -5.057 1.952 1.00 0.40 C ATOM 748 C ILE A 51 -2.787 -5.725 2.875 1.00 0.35 C ATOM 749 O ILE A 51 -1.661 -5.269 2.910 1.00 0.39 O ATOM 750 CB ILE A 51 -4.442 -3.863 2.662 1.00 0.47 C ATOM 751 CG1 ILE A 51 -3.500 -2.669 2.715 1.00 0.60 C ATOM 752 CG2 ILE A 51 -4.905 -4.189 4.090 1.00 0.46 C ATOM 753 CD1 ILE A 51 -3.260 -2.004 1.357 1.00 1.92 C ATOM 0 H ILE A 51 -5.725 -5.688 1.538 1.00 0.34 H new ATOM 0 HA ILE A 51 -3.236 -4.681 1.088 1.00 0.40 H new ATOM 0 HB ILE A 51 -5.323 -3.621 2.068 1.00 0.47 H new ATOM 0 HG12 ILE A 51 -3.907 -1.929 3.404 1.00 0.60 H new ATOM 0 HG13 ILE A 51 -2.543 -2.992 3.124 1.00 0.60 H new ATOM 0 HG21 ILE A 51 -5.361 -3.305 4.536 1.00 0.46 H new ATOM 0 HG22 ILE A 51 -5.636 -4.997 4.060 1.00 0.46 H new ATOM 0 HG23 ILE A 51 -4.048 -4.497 4.689 1.00 0.46 H new ATOM 0 HD11 ILE A 51 -2.578 -1.162 1.479 1.00 1.92 H new ATOM 0 HD12 ILE A 51 -2.823 -2.728 0.670 1.00 1.92 H new ATOM 0 HD13 ILE A 51 -4.208 -1.648 0.954 1.00 1.92 H new ATOM 765 N GLN A 52 -3.170 -6.773 3.609 1.00 0.32 N ATOM 766 CA GLN A 52 -2.291 -7.516 4.507 1.00 0.34 C ATOM 767 C GLN A 52 -0.856 -7.608 3.966 1.00 0.34 C ATOM 768 O GLN A 52 0.100 -7.314 4.679 1.00 0.39 O ATOM 769 CB GLN A 52 -2.882 -8.914 4.726 1.00 0.34 C ATOM 770 CG GLN A 52 -4.159 -8.864 5.577 1.00 0.48 C ATOM 771 CD GLN A 52 -4.913 -10.189 5.502 1.00 1.96 C ATOM 772 OE1 GLN A 52 -4.427 -11.212 5.970 1.00 2.33 O ATOM 773 NE2 GLN A 52 -6.096 -10.191 4.893 1.00 3.52 N ATOM 0 H GLN A 52 -4.124 -7.135 3.593 1.00 0.32 H new ATOM 0 HA GLN A 52 -2.229 -6.984 5.456 1.00 0.34 H new ATOM 0 HB2 GLN A 52 -3.105 -9.370 3.761 1.00 0.34 H new ATOM 0 HB3 GLN A 52 -2.143 -9.549 5.215 1.00 0.34 H new ATOM 0 HG2 GLN A 52 -3.902 -8.645 6.613 1.00 0.48 H new ATOM 0 HG3 GLN A 52 -4.801 -8.055 5.230 1.00 0.48 H new ATOM 0 HE21 GLN A 52 -6.475 -9.324 4.513 1.00 3.52 H new ATOM 0 HE22 GLN A 52 -6.623 -11.060 4.806 1.00 3.52 H new ATOM 782 N GLN A 53 -0.716 -7.962 2.685 1.00 0.31 N ATOM 783 CA GLN A 53 0.575 -8.033 2.002 1.00 0.41 C ATOM 784 C GLN A 53 1.317 -6.681 2.055 1.00 0.33 C ATOM 785 O GLN A 53 2.483 -6.583 2.437 1.00 0.33 O ATOM 786 CB GLN A 53 0.319 -8.446 0.544 1.00 0.58 C ATOM 787 CG GLN A 53 -0.398 -9.804 0.408 1.00 0.80 C ATOM 788 CD GLN A 53 0.531 -10.942 -0.011 1.00 0.86 C ATOM 789 OE1 GLN A 53 1.708 -10.956 0.327 1.00 2.21 O ATOM 790 NE2 GLN A 53 0.005 -11.910 -0.756 1.00 0.92 N ATOM 0 H GLN A 53 -1.505 -8.210 2.089 1.00 0.31 H new ATOM 0 HA GLN A 53 1.210 -8.765 2.501 1.00 0.41 H new ATOM 0 HB2 GLN A 53 -0.280 -7.677 0.056 1.00 0.58 H new ATOM 0 HB3 GLN A 53 1.271 -8.492 0.015 1.00 0.58 H new ATOM 0 HG2 GLN A 53 -0.864 -10.057 1.360 1.00 0.80 H new ATOM 0 HG3 GLN A 53 -1.200 -9.711 -0.324 1.00 0.80 H new ATOM 0 HE21 GLN A 53 -0.979 -11.871 -1.022 1.00 0.92 H new ATOM 0 HE22 GLN A 53 0.586 -12.691 -1.061 1.00 0.92 H new ATOM 799 N VAL A 54 0.618 -5.622 1.653 1.00 0.31 N ATOM 800 CA VAL A 54 1.107 -4.255 1.598 1.00 0.31 C ATOM 801 C VAL A 54 1.396 -3.722 3.002 1.00 0.33 C ATOM 802 O VAL A 54 2.387 -3.031 3.217 1.00 0.32 O ATOM 803 CB VAL A 54 0.057 -3.374 0.900 1.00 0.31 C ATOM 804 CG1 VAL A 54 0.560 -1.930 0.784 1.00 0.30 C ATOM 805 CG2 VAL A 54 -0.355 -3.966 -0.457 1.00 0.36 C ATOM 0 H VAL A 54 -0.350 -5.702 1.343 1.00 0.31 H new ATOM 0 HA VAL A 54 2.040 -4.233 1.034 1.00 0.31 H new ATOM 0 HB VAL A 54 -0.844 -3.354 1.513 1.00 0.31 H new ATOM 0 HG11 VAL A 54 -0.195 -1.320 0.288 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.752 -1.530 1.780 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.481 -1.911 0.202 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -1.098 -3.320 -0.925 1.00 0.36 H new ATOM 0 HG22 VAL A 54 0.520 -4.040 -1.103 1.00 0.36 H new ATOM 0 HG23 VAL A 54 -0.780 -4.959 -0.307 1.00 0.36 H new ATOM 815 N GLU A 55 0.516 -4.004 3.960 1.00 0.45 N ATOM 816 CA GLU A 55 0.664 -3.590 5.334 1.00 0.54 C ATOM 817 C GLU A 55 1.914 -4.251 5.917 1.00 0.41 C ATOM 818 O GLU A 55 2.730 -3.586 6.553 1.00 0.36 O ATOM 819 CB GLU A 55 -0.626 -3.923 6.092 1.00 0.80 C ATOM 820 CG GLU A 55 -0.721 -3.089 7.372 1.00 0.93 C ATOM 821 CD GLU A 55 -2.155 -2.971 7.874 1.00 2.37 C ATOM 822 OE1 GLU A 55 -2.858 -4.002 7.817 1.00 3.10 O ATOM 823 OE2 GLU A 55 -2.522 -1.845 8.283 1.00 4.02 O ATOM 0 H GLU A 55 -0.335 -4.539 3.788 1.00 0.45 H new ATOM 0 HA GLU A 55 0.810 -2.513 5.422 1.00 0.54 H new ATOM 0 HB2 GLU A 55 -1.490 -3.727 5.457 1.00 0.80 H new ATOM 0 HB3 GLU A 55 -0.647 -4.984 6.339 1.00 0.80 H new ATOM 0 HG2 GLU A 55 -0.102 -3.543 8.146 1.00 0.93 H new ATOM 0 HG3 GLU A 55 -0.319 -2.093 7.186 1.00 0.93 H new ATOM 830 N GLN A 56 2.099 -5.547 5.634 1.00 0.44 N ATOM 831 CA GLN A 56 3.321 -6.262 5.974 1.00 0.44 C ATOM 832 C GLN A 56 4.533 -5.491 5.442 1.00 0.39 C ATOM 833 O GLN A 56 5.403 -5.137 6.233 1.00 0.48 O ATOM 834 CB GLN A 56 3.269 -7.720 5.484 1.00 0.48 C ATOM 835 CG GLN A 56 4.246 -8.648 6.220 1.00 0.59 C ATOM 836 CD GLN A 56 5.711 -8.290 5.982 1.00 1.89 C ATOM 837 OE1 GLN A 56 6.173 -8.270 4.847 1.00 3.01 O ATOM 838 NE2 GLN A 56 6.455 -7.994 7.044 1.00 2.87 N ATOM 0 H GLN A 56 1.402 -6.123 5.163 1.00 0.44 H new ATOM 0 HA GLN A 56 3.420 -6.319 7.058 1.00 0.44 H new ATOM 0 HB2 GLN A 56 2.255 -8.101 5.608 1.00 0.48 H new ATOM 0 HB3 GLN A 56 3.491 -7.745 4.417 1.00 0.48 H new ATOM 0 HG2 GLN A 56 4.038 -8.609 7.289 1.00 0.59 H new ATOM 0 HG3 GLN A 56 4.073 -9.675 5.899 1.00 0.59 H new ATOM 0 HE21 GLN A 56 6.044 -8.019 7.977 1.00 2.87 H new ATOM 0 HE22 GLN A 56 7.436 -7.742 6.925 1.00 2.87 H new ATOM 847 N ALA A 57 4.581 -5.177 4.140 1.00 0.31 N ATOM 848 CA ALA A 57 5.627 -4.308 3.601 1.00 0.33 C ATOM 849 C ALA A 57 5.764 -3.048 4.464 1.00 0.30 C ATOM 850 O ALA A 57 6.838 -2.757 4.987 1.00 0.39 O ATOM 851 CB ALA A 57 5.353 -3.972 2.132 1.00 0.42 C ATOM 0 H ALA A 57 3.911 -5.511 3.447 1.00 0.31 H new ATOM 0 HA ALA A 57 6.579 -4.837 3.634 1.00 0.33 H new ATOM 0 HB1 ALA A 57 6.144 -3.325 1.753 1.00 0.42 H new ATOM 0 HB2 ALA A 57 5.325 -4.892 1.547 1.00 0.42 H new ATOM 0 HB3 ALA A 57 4.394 -3.460 2.049 1.00 0.42 H new ATOM 857 N GLY A 58 4.654 -2.338 4.670 1.00 0.27 N ATOM 858 CA GLY A 58 4.578 -1.094 5.412 1.00 0.28 C ATOM 859 C GLY A 58 5.089 -1.182 6.843 1.00 0.32 C ATOM 860 O GLY A 58 5.387 -0.144 7.439 1.00 0.33 O ATOM 0 H GLY A 58 3.748 -2.633 4.306 1.00 0.27 H new ATOM 0 HA2 GLY A 58 5.150 -0.333 4.881 1.00 0.28 H new ATOM 0 HA3 GLY A 58 3.541 -0.759 5.430 1.00 0.28 H new ATOM 864 N ALA A 59 5.243 -2.393 7.391 1.00 0.41 N ATOM 865 CA ALA A 59 5.963 -2.604 8.635 1.00 0.48 C ATOM 866 C ALA A 59 7.323 -1.902 8.623 1.00 0.44 C ATOM 867 O ALA A 59 7.805 -1.538 9.691 1.00 0.48 O ATOM 868 CB ALA A 59 6.134 -4.097 8.920 1.00 0.64 C ATOM 0 H ALA A 59 4.869 -3.248 6.979 1.00 0.41 H new ATOM 0 HA ALA A 59 5.367 -2.165 9.435 1.00 0.48 H new ATOM 0 HB1 ALA A 59 6.676 -4.229 9.856 1.00 0.64 H new ATOM 0 HB2 ALA A 59 5.154 -4.567 8.999 1.00 0.64 H new ATOM 0 HB3 ALA A 59 6.694 -4.561 8.108 1.00 0.64 H new ATOM 874 N PHE A 60 7.928 -1.670 7.447 1.00 0.41 N ATOM 875 CA PHE A 60 9.157 -0.892 7.353 1.00 0.44 C ATOM 876 C PHE A 60 9.063 0.466 8.077 1.00 0.39 C ATOM 877 O PHE A 60 10.009 0.839 8.763 1.00 0.57 O ATOM 878 CB PHE A 60 9.666 -0.800 5.900 1.00 0.50 C ATOM 879 CG PHE A 60 8.756 -0.190 4.838 1.00 0.63 C ATOM 880 CD1 PHE A 60 8.380 1.159 4.931 1.00 1.44 C ATOM 881 CD2 PHE A 60 8.469 -0.890 3.649 1.00 2.10 C ATOM 882 CE1 PHE A 60 7.648 1.778 3.907 1.00 1.41 C ATOM 883 CE2 PHE A 60 7.711 -0.282 2.630 1.00 2.23 C ATOM 884 CZ PHE A 60 7.336 1.063 2.743 1.00 0.91 C ATOM 0 H PHE A 60 7.580 -2.014 6.552 1.00 0.41 H new ATOM 0 HA PHE A 60 9.926 -1.437 7.900 1.00 0.44 H new ATOM 0 HB2 PHE A 60 10.592 -0.225 5.911 1.00 0.50 H new ATOM 0 HB3 PHE A 60 9.921 -1.809 5.576 1.00 0.50 H new ATOM 0 HD1 PHE A 60 8.659 1.729 5.805 1.00 1.44 H new ATOM 0 HD2 PHE A 60 8.833 -1.899 3.519 1.00 2.10 H new ATOM 0 HE1 PHE A 60 7.326 2.803 4.015 1.00 1.41 H new ATOM 0 HE2 PHE A 60 7.419 -0.853 1.761 1.00 2.23 H new ATOM 0 HZ PHE A 60 6.808 1.548 1.935 1.00 0.91 H new ATOM 894 N GLU A 61 7.932 1.179 7.950 1.00 0.30 N ATOM 895 CA GLU A 61 7.698 2.477 8.597 1.00 0.36 C ATOM 896 C GLU A 61 6.552 2.390 9.623 1.00 0.38 C ATOM 897 O GLU A 61 6.276 3.372 10.307 1.00 0.55 O ATOM 898 CB GLU A 61 7.443 3.596 7.556 1.00 0.43 C ATOM 899 CG GLU A 61 8.638 4.539 7.288 1.00 1.11 C ATOM 900 CD GLU A 61 9.551 4.104 6.153 1.00 2.63 C ATOM 901 OE1 GLU A 61 9.301 4.474 4.986 1.00 3.31 O ATOM 902 OE2 GLU A 61 10.516 3.346 6.385 1.00 4.30 O ATOM 0 H GLU A 61 7.143 0.863 7.386 1.00 0.30 H new ATOM 0 HA GLU A 61 8.606 2.741 9.138 1.00 0.36 H new ATOM 0 HB2 GLU A 61 7.150 3.132 6.614 1.00 0.43 H new ATOM 0 HB3 GLU A 61 6.597 4.196 7.893 1.00 0.43 H new ATOM 0 HG2 GLU A 61 8.254 5.535 7.066 1.00 1.11 H new ATOM 0 HG3 GLU A 61 9.229 4.622 8.200 1.00 1.11 H new ATOM 909 N HIS A 62 5.893 1.232 9.739 1.00 0.31 N ATOM 910 CA HIS A 62 4.842 0.940 10.709 1.00 0.35 C ATOM 911 C HIS A 62 3.537 1.649 10.329 1.00 0.31 C ATOM 912 O HIS A 62 2.923 2.314 11.163 1.00 0.34 O ATOM 913 CB HIS A 62 5.271 1.274 12.153 1.00 0.47 C ATOM 914 CG HIS A 62 6.674 0.876 12.548 1.00 0.61 C ATOM 915 ND1 HIS A 62 7.453 -0.105 11.979 1.00 0.66 N ATOM 916 CD2 HIS A 62 7.426 1.475 13.524 1.00 0.87 C ATOM 917 CE1 HIS A 62 8.644 -0.095 12.597 1.00 0.92 C ATOM 918 NE2 HIS A 62 8.675 0.847 13.554 1.00 1.07 N ATOM 0 H HIS A 62 6.090 0.439 9.129 1.00 0.31 H new ATOM 0 HA HIS A 62 4.663 -0.135 10.680 1.00 0.35 H new ATOM 0 HB2 HIS A 62 5.167 2.349 12.300 1.00 0.47 H new ATOM 0 HB3 HIS A 62 4.574 0.790 12.837 1.00 0.47 H new ATOM 0 HD1 HIS A 62 7.175 -0.729 11.222 1.00 0.66 H new ATOM 0 HD2 HIS A 62 7.110 2.289 14.159 1.00 0.87 H new ATOM 0 HE1 HIS A 62 9.465 -0.754 12.358 1.00 0.92 H new ATOM 926 N LEU A 63 3.095 1.517 9.073 1.00 0.32 N ATOM 927 CA LEU A 63 1.854 2.168 8.657 1.00 0.30 C ATOM 928 C LEU A 63 0.630 1.441 9.217 1.00 0.35 C ATOM 929 O LEU A 63 0.740 0.316 9.699 1.00 0.53 O ATOM 930 CB LEU A 63 1.789 2.262 7.128 1.00 0.35 C ATOM 931 CG LEU A 63 2.575 3.450 6.559 1.00 0.42 C ATOM 932 CD1 LEU A 63 2.011 4.784 7.051 1.00 1.34 C ATOM 933 CD2 LEU A 63 4.080 3.395 6.848 1.00 1.25 C ATOM 0 H LEU A 63 3.566 0.979 8.346 1.00 0.32 H new ATOM 0 HA LEU A 63 1.846 3.179 9.065 1.00 0.30 H new ATOM 0 HB2 LEU A 63 2.177 1.339 6.697 1.00 0.35 H new ATOM 0 HB3 LEU A 63 0.747 2.344 6.820 1.00 0.35 H new ATOM 0 HG LEU A 63 2.452 3.374 5.479 1.00 0.42 H new ATOM 0 HD11 LEU A 63 2.592 5.603 6.628 1.00 1.34 H new ATOM 0 HD12 LEU A 63 0.971 4.877 6.737 1.00 1.34 H new ATOM 0 HD13 LEU A 63 2.067 4.824 8.139 1.00 1.34 H new ATOM 0 HD21 LEU A 63 4.566 4.269 6.414 1.00 1.25 H new ATOM 0 HD22 LEU A 63 4.243 3.387 7.926 1.00 1.25 H new ATOM 0 HD23 LEU A 63 4.502 2.490 6.410 1.00 1.25 H new ATOM 945 N LYS A 64 -0.540 2.091 9.135 1.00 0.35 N ATOM 946 CA LYS A 64 -1.825 1.489 9.453 1.00 0.55 C ATOM 947 C LYS A 64 -2.732 1.735 8.252 1.00 0.65 C ATOM 948 O LYS A 64 -2.874 2.891 7.850 1.00 1.17 O ATOM 949 CB LYS A 64 -2.374 2.051 10.781 1.00 0.67 C ATOM 950 CG LYS A 64 -2.329 3.576 11.007 1.00 0.68 C ATOM 951 CD LYS A 64 -3.466 4.347 10.309 1.00 2.10 C ATOM 952 CE LYS A 64 -4.023 5.494 11.165 1.00 2.97 C ATOM 953 NZ LYS A 64 -4.846 5.008 12.290 1.00 4.23 N ATOM 0 H LYS A 64 -0.612 3.065 8.840 1.00 0.35 H new ATOM 0 HA LYS A 64 -1.748 0.415 9.619 1.00 0.55 H new ATOM 0 HB2 LYS A 64 -3.412 1.732 10.872 1.00 0.67 H new ATOM 0 HB3 LYS A 64 -1.823 1.579 11.594 1.00 0.67 H new ATOM 0 HG2 LYS A 64 -2.372 3.776 12.078 1.00 0.68 H new ATOM 0 HG3 LYS A 64 -1.372 3.958 10.650 1.00 0.68 H new ATOM 0 HD2 LYS A 64 -3.099 4.750 9.365 1.00 2.10 H new ATOM 0 HD3 LYS A 64 -4.273 3.655 10.068 1.00 2.10 H new ATOM 0 HE2 LYS A 64 -3.196 6.088 11.554 1.00 2.97 H new ATOM 0 HE3 LYS A 64 -4.623 6.154 10.538 1.00 2.97 H new ATOM 0 HZ1 LYS A 64 -5.199 5.819 12.838 1.00 4.23 H new ATOM 0 HZ2 LYS A 64 -5.651 4.463 11.921 1.00 4.23 H new ATOM 0 HZ3 LYS A 64 -4.269 4.400 12.905 1.00 4.23 H new ATOM 967 N ILE A 65 -3.278 0.676 7.644 1.00 0.50 N ATOM 968 CA ILE A 65 -4.076 0.773 6.429 1.00 0.49 C ATOM 969 C ILE A 65 -5.461 0.164 6.660 1.00 0.62 C ATOM 970 O ILE A 65 -5.615 -1.049 6.769 1.00 1.17 O ATOM 971 CB ILE A 65 -3.367 0.146 5.217 1.00 0.46 C ATOM 972 CG1 ILE A 65 -1.841 0.277 5.290 1.00 0.43 C ATOM 973 CG2 ILE A 65 -3.965 0.779 3.958 1.00 0.48 C ATOM 974 CD1 ILE A 65 -1.087 -0.028 3.997 1.00 0.55 C ATOM 0 H ILE A 65 -3.174 -0.278 7.989 1.00 0.50 H new ATOM 0 HA ILE A 65 -4.202 1.829 6.191 1.00 0.49 H new ATOM 0 HB ILE A 65 -3.537 -0.930 5.201 1.00 0.46 H new ATOM 0 HG12 ILE A 65 -1.596 1.293 5.600 1.00 0.43 H new ATOM 0 HG13 ILE A 65 -1.474 -0.391 6.069 1.00 0.43 H new ATOM 0 HG21 ILE A 65 -3.485 0.357 3.075 1.00 0.48 H new ATOM 0 HG22 ILE A 65 -5.035 0.575 3.921 1.00 0.48 H new ATOM 0 HG23 ILE A 65 -3.802 1.856 3.980 1.00 0.48 H new ATOM 0 HD11 ILE A 65 -0.017 0.096 4.162 1.00 0.55 H new ATOM 0 HD12 ILE A 65 -1.291 -1.054 3.690 1.00 0.55 H new ATOM 0 HD13 ILE A 65 -1.415 0.656 3.215 1.00 0.55 H new ATOM 986 N ILE A 66 -6.486 1.013 6.735 1.00 0.26 N ATOM 987 CA ILE A 66 -7.834 0.611 7.103 1.00 0.29 C ATOM 988 C ILE A 66 -8.644 0.322 5.829 1.00 0.27 C ATOM 989 O ILE A 66 -8.667 1.162 4.922 1.00 0.27 O ATOM 990 CB ILE A 66 -8.475 1.716 7.967 1.00 0.37 C ATOM 991 CG1 ILE A 66 -7.678 1.868 9.279 1.00 0.50 C ATOM 992 CG2 ILE A 66 -9.946 1.389 8.276 1.00 0.49 C ATOM 993 CD1 ILE A 66 -8.034 3.140 10.053 1.00 1.17 C ATOM 0 H ILE A 66 -6.397 2.010 6.539 1.00 0.26 H new ATOM 0 HA ILE A 66 -7.816 -0.304 7.696 1.00 0.29 H new ATOM 0 HB ILE A 66 -8.448 2.654 7.412 1.00 0.37 H new ATOM 0 HG12 ILE A 66 -7.863 1.000 9.912 1.00 0.50 H new ATOM 0 HG13 ILE A 66 -6.612 1.875 9.051 1.00 0.50 H new ATOM 0 HG21 ILE A 66 -10.375 2.184 8.886 1.00 0.49 H new ATOM 0 HG22 ILE A 66 -10.504 1.307 7.343 1.00 0.49 H new ATOM 0 HG23 ILE A 66 -10.003 0.445 8.817 1.00 0.49 H new ATOM 0 HD11 ILE A 66 -7.440 3.189 10.966 1.00 1.17 H new ATOM 0 HD12 ILE A 66 -7.823 4.013 9.435 1.00 1.17 H new ATOM 0 HD13 ILE A 66 -9.093 3.125 10.310 1.00 1.17 H new ATOM 1005 N PRO A 67 -9.338 -0.828 5.750 1.00 0.32 N ATOM 1006 CA PRO A 67 -10.323 -1.072 4.712 1.00 0.38 C ATOM 1007 C PRO A 67 -11.518 -0.143 4.931 1.00 0.44 C ATOM 1008 O PRO A 67 -12.448 -0.480 5.662 1.00 0.64 O ATOM 1009 CB PRO A 67 -10.696 -2.555 4.829 1.00 0.51 C ATOM 1010 CG PRO A 67 -10.442 -2.878 6.300 1.00 0.49 C ATOM 1011 CD PRO A 67 -9.286 -1.949 6.680 1.00 0.40 C ATOM 0 HA PRO A 67 -9.951 -0.866 3.708 1.00 0.38 H new ATOM 0 HB2 PRO A 67 -11.737 -2.729 4.555 1.00 0.51 H new ATOM 0 HB3 PRO A 67 -10.085 -3.174 4.172 1.00 0.51 H new ATOM 0 HG2 PRO A 67 -11.325 -2.689 6.910 1.00 0.49 H new ATOM 0 HG3 PRO A 67 -10.177 -3.926 6.440 1.00 0.49 H new ATOM 0 HD2 PRO A 67 -9.386 -1.605 7.709 1.00 0.40 H new ATOM 0 HD3 PRO A 67 -8.330 -2.469 6.609 1.00 0.40 H new ATOM 1019 N GLU A 68 -11.478 1.033 4.297 1.00 0.46 N ATOM 1020 CA GLU A 68 -12.625 1.930 4.194 1.00 0.57 C ATOM 1021 C GLU A 68 -13.849 1.159 3.691 1.00 0.93 C ATOM 1022 O GLU A 68 -13.717 0.152 2.991 1.00 2.07 O ATOM 1023 CB GLU A 68 -12.306 3.107 3.250 1.00 0.91 C ATOM 1024 CG GLU A 68 -12.237 4.462 3.969 1.00 2.20 C ATOM 1025 CD GLU A 68 -13.592 5.068 4.302 1.00 3.17 C ATOM 1026 OE1 GLU A 68 -14.494 4.273 4.649 1.00 4.42 O ATOM 1027 OE2 GLU A 68 -13.677 6.318 4.194 1.00 3.57 O ATOM 0 H GLU A 68 -10.640 1.389 3.838 1.00 0.46 H new ATOM 0 HA GLU A 68 -12.845 2.333 5.183 1.00 0.57 H new ATOM 0 HB2 GLU A 68 -11.354 2.918 2.754 1.00 0.91 H new ATOM 0 HB3 GLU A 68 -13.067 3.155 2.471 1.00 0.91 H new ATOM 0 HG2 GLU A 68 -11.670 4.341 4.892 1.00 2.20 H new ATOM 0 HG3 GLU A 68 -11.683 5.163 3.344 1.00 2.20 H new ATOM 1034 N LYS A 69 -15.041 1.645 4.034 1.00 1.55 N ATOM 1035 CA LYS A 69 -16.288 0.981 3.691 1.00 1.92 C ATOM 1036 C LYS A 69 -17.368 2.039 3.475 1.00 2.88 C ATOM 1037 O LYS A 69 -17.545 2.921 4.313 1.00 3.88 O ATOM 1038 CB LYS A 69 -16.639 -0.091 4.748 1.00 2.31 C ATOM 1039 CG LYS A 69 -16.896 0.430 6.175 1.00 3.96 C ATOM 1040 CD LYS A 69 -18.318 0.993 6.334 1.00 4.94 C ATOM 1041 CE LYS A 69 -19.208 0.186 7.284 1.00 6.05 C ATOM 1042 NZ LYS A 69 -20.606 0.659 7.212 1.00 6.98 N ATOM 0 H LYS A 69 -15.165 2.511 4.558 1.00 1.55 H new ATOM 0 HA LYS A 69 -16.196 0.432 2.754 1.00 1.92 H new ATOM 0 HB2 LYS A 69 -17.527 -0.627 4.412 1.00 2.31 H new ATOM 0 HB3 LYS A 69 -15.825 -0.815 4.787 1.00 2.31 H new ATOM 0 HG2 LYS A 69 -16.744 -0.379 6.889 1.00 3.96 H new ATOM 0 HG3 LYS A 69 -16.170 1.207 6.414 1.00 3.96 H new ATOM 0 HD2 LYS A 69 -18.253 2.018 6.698 1.00 4.94 H new ATOM 0 HD3 LYS A 69 -18.793 1.032 5.354 1.00 4.94 H new ATOM 0 HE2 LYS A 69 -19.162 -0.872 7.024 1.00 6.05 H new ATOM 0 HE3 LYS A 69 -18.839 0.280 8.305 1.00 6.05 H new ATOM 0 HZ1 LYS A 69 -21.218 0.018 7.756 1.00 6.98 H new ATOM 0 HZ2 LYS A 69 -20.669 1.618 7.610 1.00 6.98 H new ATOM 0 HZ3 LYS A 69 -20.917 0.675 6.220 1.00 6.98 H new ATOM 1056 N GLU A 70 -18.102 1.950 2.361 1.00 3.36 N ATOM 1057 CA GLU A 70 -19.219 2.844 2.097 1.00 4.52 C ATOM 1058 C GLU A 70 -20.279 2.736 3.201 1.00 5.11 C ATOM 1059 O GLU A 70 -20.484 1.673 3.799 1.00 5.27 O ATOM 1060 CB GLU A 70 -19.805 2.564 0.705 1.00 5.21 C ATOM 1061 CG GLU A 70 -19.010 3.304 -0.378 1.00 6.12 C ATOM 1062 CD GLU A 70 -19.520 2.973 -1.776 1.00 7.08 C ATOM 1063 OE1 GLU A 70 -20.744 3.114 -1.979 1.00 7.80 O ATOM 1064 OE2 GLU A 70 -18.678 2.574 -2.608 1.00 7.56 O ATOM 0 H GLU A 70 -17.936 1.261 1.627 1.00 3.36 H new ATOM 0 HA GLU A 70 -18.858 3.872 2.103 1.00 4.52 H new ATOM 0 HB2 GLU A 70 -19.788 1.492 0.507 1.00 5.21 H new ATOM 0 HB3 GLU A 70 -20.849 2.877 0.675 1.00 5.21 H new ATOM 0 HG2 GLU A 70 -19.079 4.379 -0.210 1.00 6.12 H new ATOM 0 HG3 GLU A 70 -17.956 3.037 -0.302 1.00 6.12 H new ATOM 1071 N ALA A 71 -20.936 3.858 3.486 1.00 6.09 N ATOM 1072 CA ALA A 71 -21.931 4.032 4.520 1.00 7.23 C ATOM 1073 C ALA A 71 -22.599 5.371 4.231 1.00 8.43 C ATOM 1074 O ALA A 71 -23.635 5.645 4.871 1.00 9.40 O ATOM 1075 CB ALA A 71 -21.254 4.059 5.893 1.00 7.99 C ATOM 1076 OXT ALA A 71 -22.036 6.095 3.375 1.00 8.79 O ATOM 0 H ALA A 71 -20.771 4.718 2.964 1.00 6.09 H new ATOM 0 HA ALA A 71 -22.657 3.219 4.529 1.00 7.23 H new ATOM 0 HB1 ALA A 71 -22.009 4.190 6.668 1.00 7.99 H new ATOM 0 HB2 ALA A 71 -20.725 3.120 6.057 1.00 7.99 H new ATOM 0 HB3 ALA A 71 -20.545 4.886 5.933 1.00 7.99 H new TER 1082 ALA A 71