USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 51 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.9!) USER MOD Set 1.2: A 54 MET CE :methyl 170:sc= 0 (180deg=-0.11) USER MOD Set 2.1: A 7 THR OG1 : rot 169:sc= 0.531 USER MOD Set 2.2: A 44 GLN : amide:sc= 0.65 X(o=1.2,f=1.2) USER MOD Single : A 0 MET CE :methyl -162:sc= -0.119 (180deg=-0.52) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0722 X(o=-0.072,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 89:sc= 1.22 USER MOD Single : A 12 GLN : amide:sc= -2.05 K(o=-2.1,f=-1.5) USER MOD Single : A 13 THR OG1 : rot 82:sc= 0.919 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0401) USER MOD Single : A 21 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.511 K(o=-0.51,f=-6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0.569 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 36 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.088) USER MOD Single : A 39 SER OG : rot 41:sc= 0.619 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.784 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc=-0.00939 (180deg=-0.0782) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0381) USER MOD Single : A 60 ASN : amide:sc= 0.387 K(o=0.39,f=-0.19) USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00621) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -7.700 -15.291 -3.668 1.00 16.60 N ATOM 2 CA MET A 0 -7.228 -14.489 -4.809 1.00 16.77 C ATOM 3 C MET A 0 -8.351 -13.531 -5.228 1.00 15.96 C ATOM 4 O MET A 0 -8.608 -12.581 -4.494 1.00 15.55 O ATOM 5 CB MET A 0 -6.657 -15.400 -5.911 1.00 17.90 C ATOM 6 CG MET A 0 -5.546 -14.724 -6.728 1.00 18.70 C ATOM 7 SD MET A 0 -4.658 -15.813 -7.880 1.00 20.10 S ATOM 8 CE MET A 0 -3.968 -17.063 -6.765 1.00 20.30 C ATOM 0 H1 MET A 0 -6.950 -15.947 -3.371 1.00 16.60 H new ATOM 0 H2 MET A 0 -7.942 -14.661 -2.877 1.00 16.60 H new ATOM 0 H3 MET A 0 -8.542 -15.833 -3.949 1.00 16.60 H new ATOM 0 HA MET A 0 -6.383 -13.854 -4.544 1.00 16.77 H new ATOM 0 HB2 MET A 0 -6.265 -16.310 -5.456 1.00 17.90 H new ATOM 0 HB3 MET A 0 -7.463 -15.700 -6.581 1.00 17.90 H new ATOM 0 HG2 MET A 0 -5.983 -13.902 -7.295 1.00 18.70 H new ATOM 0 HG3 MET A 0 -4.825 -14.287 -6.038 1.00 18.70 H new ATOM 0 HE1 MET A 0 -3.159 -17.592 -7.268 1.00 20.30 H new ATOM 0 HE2 MET A 0 -3.582 -16.578 -5.869 1.00 20.30 H new ATOM 0 HE3 MET A 0 -4.748 -17.772 -6.486 1.00 20.30 H new ATOM 18 N ARG A 1 -9.096 -13.805 -6.299 1.00 15.94 N ATOM 19 CA ARG A 1 -10.104 -12.903 -6.853 1.00 15.59 C ATOM 20 C ARG A 1 -11.442 -13.647 -6.985 1.00 14.76 C ATOM 21 O ARG A 1 -11.698 -14.567 -6.202 1.00 14.43 O ATOM 22 CB ARG A 1 -9.560 -12.352 -8.185 1.00 16.83 C ATOM 23 CG ARG A 1 -9.212 -13.471 -9.181 1.00 17.92 C ATOM 24 CD ARG A 1 -9.297 -12.967 -10.627 1.00 19.01 C ATOM 25 NE ARG A 1 -8.855 -13.990 -11.591 1.00 20.24 N ATOM 26 CZ ARG A 1 -9.581 -15.036 -12.025 1.00 20.79 C ATOM 27 NH1 ARG A 1 -10.824 -15.224 -11.568 1.00 20.17 N ATOM 28 NH2 ARG A 1 -9.061 -15.893 -12.911 1.00 22.14 N ATOM 0 H ARG A 1 -9.013 -14.680 -6.817 1.00 15.94 H new ATOM 0 HA ARG A 1 -10.301 -12.053 -6.200 1.00 15.59 H new ATOM 0 HB2 ARG A 1 -10.301 -11.689 -8.631 1.00 16.83 H new ATOM 0 HB3 ARG A 1 -8.671 -11.752 -7.991 1.00 16.83 H new ATOM 0 HG2 ARG A 1 -8.207 -13.842 -8.980 1.00 17.92 H new ATOM 0 HG3 ARG A 1 -9.894 -14.310 -9.044 1.00 17.92 H new ATOM 0 HD2 ARG A 1 -10.323 -12.676 -10.851 1.00 19.01 H new ATOM 0 HD3 ARG A 1 -8.682 -12.074 -10.737 1.00 19.01 H new ATOM 0 HE ARG A 1 -7.910 -13.896 -11.964 1.00 20.24 H new ATOM 0 HH11 ARG A 1 -11.222 -14.574 -10.890 1.00 20.17 H new ATOM 0 HH12 ARG A 1 -11.374 -16.017 -11.898 1.00 20.17 H new ATOM 0 HH21 ARG A 1 -8.112 -15.754 -13.259 1.00 22.14 H new ATOM 0 HH22 ARG A 1 -9.613 -16.685 -13.239 1.00 22.14 H new ATOM 42 N LYS A 2 -12.263 -13.264 -7.977 1.00 14.79 N ATOM 43 CA LYS A 2 -13.524 -13.876 -8.403 1.00 14.59 C ATOM 44 C LYS A 2 -14.637 -13.641 -7.375 1.00 13.26 C ATOM 45 O LYS A 2 -15.690 -13.110 -7.712 1.00 13.40 O ATOM 46 CB LYS A 2 -13.337 -15.365 -8.754 1.00 15.36 C ATOM 47 CG LYS A 2 -14.254 -15.892 -9.876 1.00 16.30 C ATOM 48 CD LYS A 2 -15.760 -15.682 -9.636 1.00 16.77 C ATOM 49 CE LYS A 2 -16.623 -16.421 -10.677 1.00 17.76 C ATOM 50 NZ LYS A 2 -16.815 -17.854 -10.363 1.00 17.82 N ATOM 0 H LYS A 2 -12.039 -12.449 -8.547 1.00 14.79 H new ATOM 0 HA LYS A 2 -13.844 -13.382 -9.320 1.00 14.59 H new ATOM 0 HB2 LYS A 2 -12.300 -15.526 -9.048 1.00 15.36 H new ATOM 0 HB3 LYS A 2 -13.509 -15.959 -7.856 1.00 15.36 H new ATOM 0 HG2 LYS A 2 -13.978 -15.403 -10.810 1.00 16.30 H new ATOM 0 HG3 LYS A 2 -14.067 -16.958 -10.007 1.00 16.30 H new ATOM 0 HD2 LYS A 2 -16.019 -16.032 -8.637 1.00 16.77 H new ATOM 0 HD3 LYS A 2 -15.987 -14.616 -9.669 1.00 16.77 H new ATOM 0 HE2 LYS A 2 -17.597 -15.936 -10.742 1.00 17.76 H new ATOM 0 HE3 LYS A 2 -16.156 -16.330 -11.657 1.00 17.76 H new ATOM 0 HZ1 LYS A 2 -17.403 -18.295 -11.099 1.00 17.82 H new ATOM 0 HZ2 LYS A 2 -15.890 -18.329 -10.328 1.00 17.82 H new ATOM 0 HZ3 LYS A 2 -17.287 -17.947 -9.441 1.00 17.82 H new ATOM 64 N ARG A 3 -14.414 -14.073 -6.134 1.00 12.27 N ATOM 65 CA ARG A 3 -15.369 -14.003 -5.039 1.00 11.29 C ATOM 66 C ARG A 3 -15.047 -12.790 -4.161 1.00 10.04 C ATOM 67 O ARG A 3 -13.875 -12.508 -3.897 1.00 9.79 O ATOM 68 CB ARG A 3 -15.267 -15.277 -4.183 1.00 11.37 C ATOM 69 CG ARG A 3 -15.190 -16.596 -4.968 1.00 12.58 C ATOM 70 CD ARG A 3 -16.524 -17.005 -5.611 1.00 13.75 C ATOM 71 NE ARG A 3 -17.402 -17.719 -4.665 1.00 14.14 N ATOM 72 CZ ARG A 3 -17.236 -18.996 -4.270 1.00 14.74 C ATOM 73 NH1 ARG A 3 -16.172 -19.690 -4.691 1.00 14.95 N ATOM 74 NH2 ARG A 3 -18.127 -19.573 -3.456 1.00 15.44 N ATOM 0 H ARG A 3 -13.528 -14.497 -5.858 1.00 12.27 H new ATOM 0 HA ARG A 3 -16.376 -13.912 -5.446 1.00 11.29 H new ATOM 0 HB2 ARG A 3 -14.383 -15.199 -3.550 1.00 11.37 H new ATOM 0 HB3 ARG A 3 -16.131 -15.319 -3.520 1.00 11.37 H new ATOM 0 HG2 ARG A 3 -14.434 -16.502 -5.747 1.00 12.58 H new ATOM 0 HG3 ARG A 3 -14.860 -17.390 -4.298 1.00 12.58 H new ATOM 0 HD2 ARG A 3 -17.036 -16.116 -5.979 1.00 13.75 H new ATOM 0 HD3 ARG A 3 -16.329 -17.641 -6.475 1.00 13.75 H new ATOM 0 HE ARG A 3 -18.196 -17.206 -4.280 1.00 14.14 H new ATOM 0 HH11 ARG A 3 -15.489 -19.252 -5.309 1.00 14.95 H new ATOM 0 HH12 ARG A 3 -16.044 -20.657 -4.394 1.00 14.95 H new ATOM 0 HH21 ARG A 3 -18.937 -19.046 -3.131 1.00 15.44 H new ATOM 0 HH22 ARG A 3 -17.996 -20.540 -3.160 1.00 15.44 H new ATOM 88 N GLY A 4 -16.081 -12.115 -3.659 1.00 9.70 N ATOM 89 CA GLY A 4 -15.936 -10.995 -2.744 1.00 9.00 C ATOM 90 C GLY A 4 -15.677 -11.502 -1.327 1.00 7.66 C ATOM 91 O GLY A 4 -16.606 -11.611 -0.535 1.00 7.94 O ATOM 0 H GLY A 4 -17.051 -12.337 -3.882 1.00 9.70 H new ATOM 0 HA2 GLY A 4 -15.113 -10.357 -3.066 1.00 9.00 H new ATOM 0 HA3 GLY A 4 -16.838 -10.384 -2.760 1.00 9.00 H new ATOM 95 N ARG A 5 -14.417 -11.816 -1.006 1.00 6.78 N ATOM 96 CA ARG A 5 -14.011 -12.180 0.353 1.00 6.15 C ATOM 97 C ARG A 5 -12.611 -11.648 0.663 1.00 5.17 C ATOM 98 O ARG A 5 -11.711 -12.379 1.070 1.00 5.43 O ATOM 99 CB ARG A 5 -14.230 -13.684 0.619 1.00 7.15 C ATOM 100 CG ARG A 5 -13.686 -14.702 -0.404 1.00 7.93 C ATOM 101 CD ARG A 5 -12.228 -15.135 -0.191 1.00 8.41 C ATOM 102 NE ARG A 5 -11.284 -14.168 -0.757 1.00 8.63 N ATOM 103 CZ ARG A 5 -11.001 -13.974 -2.051 1.00 9.52 C ATOM 104 NH1 ARG A 5 -11.487 -14.808 -2.980 1.00 10.18 N ATOM 105 NH2 ARG A 5 -10.206 -12.951 -2.384 1.00 10.26 N ATOM 0 H ARG A 5 -13.652 -11.825 -1.681 1.00 6.78 H new ATOM 0 HA ARG A 5 -14.660 -11.685 1.076 1.00 6.15 H new ATOM 0 HB2 ARG A 5 -13.785 -13.917 1.586 1.00 7.15 H new ATOM 0 HB3 ARG A 5 -15.303 -13.851 0.713 1.00 7.15 H new ATOM 0 HG2 ARG A 5 -14.318 -15.590 -0.379 1.00 7.93 H new ATOM 0 HG3 ARG A 5 -13.778 -14.273 -1.402 1.00 7.93 H new ATOM 0 HD2 ARG A 5 -12.035 -15.249 0.876 1.00 8.41 H new ATOM 0 HD3 ARG A 5 -12.068 -16.110 -0.650 1.00 8.41 H new ATOM 0 HE ARG A 5 -10.787 -13.577 -0.091 1.00 8.63 H new ATOM 0 HH11 ARG A 5 -12.075 -15.594 -2.702 1.00 10.18 H new ATOM 0 HH12 ARG A 5 -11.269 -14.657 -3.965 1.00 10.18 H new ATOM 0 HH21 ARG A 5 -9.830 -12.340 -1.659 1.00 10.26 H new ATOM 0 HH22 ARG A 5 -9.975 -12.782 -3.363 1.00 10.26 H new ATOM 119 N GLN A 6 -12.408 -10.352 0.425 1.00 4.75 N ATOM 120 CA GLN A 6 -11.133 -9.692 0.669 1.00 3.95 C ATOM 121 C GLN A 6 -11.103 -9.132 2.091 1.00 2.65 C ATOM 122 O GLN A 6 -12.141 -8.958 2.722 1.00 3.12 O ATOM 123 CB GLN A 6 -10.918 -8.586 -0.371 1.00 4.86 C ATOM 124 CG GLN A 6 -10.791 -9.184 -1.783 1.00 6.08 C ATOM 125 CD GLN A 6 -11.562 -8.403 -2.841 1.00 7.61 C ATOM 126 OE1 GLN A 6 -11.006 -8.024 -3.865 1.00 8.53 O ATOM 127 NE2 GLN A 6 -12.856 -8.184 -2.623 1.00 8.42 N ATOM 0 H GLN A 6 -13.128 -9.731 0.056 1.00 4.75 H new ATOM 0 HA GLN A 6 -10.321 -10.412 0.573 1.00 3.95 H new ATOM 0 HB2 GLN A 6 -11.752 -7.885 -0.341 1.00 4.86 H new ATOM 0 HB3 GLN A 6 -10.018 -8.021 -0.128 1.00 4.86 H new ATOM 0 HG2 GLN A 6 -9.738 -9.218 -2.062 1.00 6.08 H new ATOM 0 HG3 GLN A 6 -11.150 -10.213 -1.768 1.00 6.08 H new ATOM 0 HE21 GLN A 6 -13.291 -8.512 -1.760 1.00 8.42 H new ATOM 0 HE22 GLN A 6 -13.414 -7.688 -3.318 1.00 8.42 H new ATOM 136 N THR A 7 -9.891 -8.848 2.566 1.00 1.91 N ATOM 137 CA THR A 7 -9.621 -8.208 3.847 1.00 1.62 C ATOM 138 C THR A 7 -9.536 -6.679 3.673 1.00 1.24 C ATOM 139 O THR A 7 -9.666 -5.929 4.638 1.00 1.41 O ATOM 140 CB THR A 7 -8.361 -8.858 4.457 1.00 2.81 C ATOM 141 OG1 THR A 7 -7.861 -8.118 5.548 1.00 3.69 O ATOM 142 CG2 THR A 7 -7.219 -9.041 3.451 1.00 4.16 C ATOM 0 H THR A 7 -9.040 -9.067 2.048 1.00 1.91 H new ATOM 0 HA THR A 7 -10.435 -8.364 4.555 1.00 1.62 H new ATOM 0 HB THR A 7 -8.698 -9.841 4.787 1.00 2.81 H new ATOM 0 HG1 THR A 7 -7.179 -8.644 6.015 1.00 3.69 H new ATOM 0 HG21 THR A 7 -6.366 -9.503 3.949 1.00 4.16 H new ATOM 0 HG22 THR A 7 -7.553 -9.681 2.634 1.00 4.16 H new ATOM 0 HG23 THR A 7 -6.925 -8.069 3.054 1.00 4.16 H new ATOM 150 N TYR A 8 -9.326 -6.209 2.436 1.00 1.25 N ATOM 151 CA TYR A 8 -9.184 -4.791 2.130 1.00 1.06 C ATOM 152 C TYR A 8 -10.552 -4.130 1.934 1.00 1.05 C ATOM 153 O TYR A 8 -11.587 -4.761 2.134 1.00 1.29 O ATOM 154 CB TYR A 8 -8.283 -4.618 0.897 1.00 1.02 C ATOM 155 CG TYR A 8 -7.077 -5.541 0.872 1.00 1.07 C ATOM 156 CD1 TYR A 8 -6.179 -5.553 1.956 1.00 1.82 C ATOM 157 CD2 TYR A 8 -6.932 -6.487 -0.159 1.00 2.29 C ATOM 158 CE1 TYR A 8 -5.134 -6.489 2.003 1.00 1.97 C ATOM 159 CE2 TYR A 8 -5.918 -7.459 -0.084 1.00 2.29 C ATOM 160 CZ TYR A 8 -5.028 -7.468 1.003 1.00 1.32 C ATOM 161 OH TYR A 8 -4.163 -8.506 1.161 1.00 1.48 O ATOM 0 H TYR A 8 -9.250 -6.813 1.617 1.00 1.25 H new ATOM 0 HA TYR A 8 -8.711 -4.289 2.974 1.00 1.06 H new ATOM 0 HB2 TYR A 8 -8.877 -4.791 -0.000 1.00 1.02 H new ATOM 0 HB3 TYR A 8 -7.937 -3.585 0.856 1.00 1.02 H new ATOM 0 HD1 TYR A 8 -6.295 -4.837 2.757 1.00 1.82 H new ATOM 0 HD2 TYR A 8 -7.599 -6.467 -1.008 1.00 2.29 H new ATOM 0 HE1 TYR A 8 -4.413 -6.456 2.807 1.00 1.97 H new ATOM 0 HE2 TYR A 8 -5.823 -8.200 -0.864 1.00 2.29 H new ATOM 0 HH TYR A 8 -4.212 -9.095 0.379 1.00 1.48 H new ATOM 171 N THR A 9 -10.555 -2.865 1.500 1.00 1.31 N ATOM 172 CA THR A 9 -11.758 -2.106 1.193 1.00 1.37 C ATOM 173 C THR A 9 -11.457 -1.193 0.003 1.00 1.18 C ATOM 174 O THR A 9 -10.294 -0.982 -0.352 1.00 1.09 O ATOM 175 CB THR A 9 -12.270 -1.395 2.467 1.00 1.46 C ATOM 176 OG1 THR A 9 -13.367 -2.120 2.979 1.00 3.10 O ATOM 177 CG2 THR A 9 -12.765 0.039 2.282 1.00 2.31 C ATOM 0 H THR A 9 -9.697 -2.334 1.351 1.00 1.31 H new ATOM 0 HA THR A 9 -12.585 -2.746 0.886 1.00 1.37 H new ATOM 0 HB THR A 9 -11.401 -1.355 3.124 1.00 1.46 H new ATOM 0 HG1 THR A 9 -13.700 -1.680 3.789 1.00 3.10 H new ATOM 0 HG21 THR A 9 -13.099 0.435 3.241 1.00 2.31 H new ATOM 0 HG22 THR A 9 -11.954 0.657 1.897 1.00 2.31 H new ATOM 0 HG23 THR A 9 -13.596 0.049 1.576 1.00 2.31 H new ATOM 185 N ARG A 10 -12.523 -0.678 -0.617 1.00 1.11 N ATOM 186 CA ARG A 10 -12.470 0.228 -1.753 1.00 0.87 C ATOM 187 C ARG A 10 -11.561 1.422 -1.429 1.00 0.72 C ATOM 188 O ARG A 10 -10.550 1.625 -2.090 1.00 0.64 O ATOM 189 CB ARG A 10 -13.904 0.673 -2.107 1.00 0.79 C ATOM 190 CG ARG A 10 -14.130 0.782 -3.619 1.00 1.12 C ATOM 191 CD ARG A 10 -15.536 1.306 -3.953 1.00 1.80 C ATOM 192 NE ARG A 10 -15.741 2.681 -3.460 1.00 2.63 N ATOM 193 CZ ARG A 10 -16.309 3.046 -2.295 1.00 4.37 C ATOM 194 NH1 ARG A 10 -16.843 2.129 -1.480 1.00 5.52 N ATOM 195 NH2 ARG A 10 -16.318 4.335 -1.937 1.00 5.39 N ATOM 0 H ARG A 10 -13.477 -0.892 -0.326 1.00 1.11 H new ATOM 0 HA ARG A 10 -12.045 -0.276 -2.621 1.00 0.87 H new ATOM 0 HB2 ARG A 10 -14.615 -0.038 -1.687 1.00 0.79 H new ATOM 0 HB3 ARG A 10 -14.106 1.638 -1.642 1.00 0.79 H new ATOM 0 HG2 ARG A 10 -13.383 1.448 -4.051 1.00 1.12 H new ATOM 0 HG3 ARG A 10 -13.989 -0.196 -4.078 1.00 1.12 H new ATOM 0 HD2 ARG A 10 -15.686 1.281 -5.032 1.00 1.80 H new ATOM 0 HD3 ARG A 10 -16.284 0.647 -3.512 1.00 1.80 H new ATOM 0 HE ARG A 10 -15.418 3.435 -4.066 1.00 2.63 H new ATOM 0 HH11 ARG A 10 -16.822 1.143 -1.739 1.00 5.52 H new ATOM 0 HH12 ARG A 10 -17.271 2.416 -0.600 1.00 5.52 H new ATOM 0 HH21 ARG A 10 -15.896 5.036 -2.546 1.00 5.39 H new ATOM 0 HH22 ARG A 10 -16.747 4.616 -1.055 1.00 5.39 H new ATOM 209 N TYR A 11 -11.918 2.196 -0.397 1.00 0.73 N ATOM 210 CA TYR A 11 -11.219 3.412 0.012 1.00 0.67 C ATOM 211 C TYR A 11 -9.741 3.115 0.249 1.00 0.61 C ATOM 212 O TYR A 11 -8.874 3.748 -0.338 1.00 0.54 O ATOM 213 CB TYR A 11 -11.896 3.961 1.277 1.00 0.76 C ATOM 214 CG TYR A 11 -11.258 5.211 1.857 1.00 0.77 C ATOM 215 CD1 TYR A 11 -10.209 5.117 2.789 1.00 1.76 C ATOM 216 CD2 TYR A 11 -11.730 6.479 1.469 1.00 1.71 C ATOM 217 CE1 TYR A 11 -9.616 6.282 3.302 1.00 1.75 C ATOM 218 CE2 TYR A 11 -11.151 7.643 2.000 1.00 1.76 C ATOM 219 CZ TYR A 11 -10.062 7.544 2.880 1.00 0.86 C ATOM 220 OH TYR A 11 -9.434 8.676 3.296 1.00 0.93 O ATOM 0 H TYR A 11 -12.724 1.984 0.191 1.00 0.73 H new ATOM 0 HA TYR A 11 -11.275 4.165 -0.774 1.00 0.67 H new ATOM 0 HB2 TYR A 11 -12.939 4.177 1.047 1.00 0.76 H new ATOM 0 HB3 TYR A 11 -11.892 3.182 2.040 1.00 0.76 H new ATOM 0 HD1 TYR A 11 -9.859 4.147 3.111 1.00 1.76 H new ATOM 0 HD2 TYR A 11 -12.541 6.557 0.760 1.00 1.71 H new ATOM 0 HE1 TYR A 11 -8.815 6.207 4.023 1.00 1.75 H new ATOM 0 HE2 TYR A 11 -11.543 8.613 1.732 1.00 1.76 H new ATOM 0 HH TYR A 11 -8.710 8.896 2.673 1.00 0.93 H new ATOM 230 N GLN A 12 -9.475 2.118 1.089 1.00 0.64 N ATOM 231 CA GLN A 12 -8.152 1.570 1.330 1.00 0.70 C ATOM 232 C GLN A 12 -7.388 1.356 0.019 1.00 0.60 C ATOM 233 O GLN A 12 -6.306 1.906 -0.167 1.00 0.51 O ATOM 234 CB GLN A 12 -8.335 0.292 2.150 1.00 0.88 C ATOM 235 CG GLN A 12 -7.096 -0.603 2.141 1.00 1.25 C ATOM 236 CD GLN A 12 -7.194 -1.773 3.113 1.00 1.66 C ATOM 237 OE1 GLN A 12 -6.262 -2.557 3.217 1.00 2.82 O ATOM 238 NE2 GLN A 12 -8.309 -1.927 3.825 1.00 1.70 N ATOM 0 H GLN A 12 -10.202 1.657 1.637 1.00 0.64 H new ATOM 0 HA GLN A 12 -7.532 2.266 1.895 1.00 0.70 H new ATOM 0 HB2 GLN A 12 -8.577 0.558 3.179 1.00 0.88 H new ATOM 0 HB3 GLN A 12 -9.184 -0.267 1.757 1.00 0.88 H new ATOM 0 HG2 GLN A 12 -6.941 -0.988 1.133 1.00 1.25 H new ATOM 0 HG3 GLN A 12 -6.221 -0.003 2.391 1.00 1.25 H new ATOM 0 HE21 GLN A 12 -9.075 -1.261 3.723 1.00 1.70 H new ATOM 0 HE22 GLN A 12 -8.397 -2.711 4.472 1.00 1.70 H new ATOM 247 N THR A 13 -7.944 0.548 -0.885 1.00 0.66 N ATOM 248 CA THR A 13 -7.316 0.267 -2.168 1.00 0.64 C ATOM 249 C THR A 13 -7.083 1.561 -2.957 1.00 0.56 C ATOM 250 O THR A 13 -6.007 1.737 -3.515 1.00 0.53 O ATOM 251 CB THR A 13 -8.170 -0.760 -2.927 1.00 0.73 C ATOM 252 OG1 THR A 13 -8.299 -1.912 -2.115 1.00 1.00 O ATOM 253 CG2 THR A 13 -7.563 -1.174 -4.271 1.00 0.89 C ATOM 0 H THR A 13 -8.837 0.075 -0.746 1.00 0.66 H new ATOM 0 HA THR A 13 -6.328 -0.169 -2.017 1.00 0.64 H new ATOM 0 HB THR A 13 -9.133 -0.295 -3.140 1.00 0.73 H new ATOM 0 HG1 THR A 13 -9.009 -1.769 -1.455 1.00 1.00 H new ATOM 0 HG21 THR A 13 -8.215 -1.901 -4.756 1.00 0.89 H new ATOM 0 HG22 THR A 13 -7.459 -0.296 -4.909 1.00 0.89 H new ATOM 0 HG23 THR A 13 -6.582 -1.620 -4.105 1.00 0.89 H new ATOM 261 N LEU A 14 -8.057 2.476 -2.983 1.00 0.55 N ATOM 262 CA LEU A 14 -7.912 3.783 -3.617 1.00 0.49 C ATOM 263 C LEU A 14 -6.706 4.538 -3.050 1.00 0.41 C ATOM 264 O LEU A 14 -5.832 4.957 -3.807 1.00 0.38 O ATOM 265 CB LEU A 14 -9.195 4.617 -3.451 1.00 0.56 C ATOM 266 CG LEU A 14 -10.102 4.572 -4.692 1.00 0.65 C ATOM 267 CD1 LEU A 14 -11.040 3.362 -4.641 1.00 0.79 C ATOM 268 CD2 LEU A 14 -10.927 5.858 -4.753 1.00 0.72 C ATOM 0 H LEU A 14 -8.973 2.326 -2.561 1.00 0.55 H new ATOM 0 HA LEU A 14 -7.742 3.620 -4.681 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -9.751 4.252 -2.587 1.00 0.56 H new ATOM 0 HB3 LEU A 14 -8.925 5.652 -3.242 1.00 0.56 H new ATOM 0 HG LEU A 14 -9.478 4.483 -5.581 1.00 0.65 H new ATOM 0 HD11 LEU A 14 -11.671 3.353 -5.530 1.00 0.79 H new ATOM 0 HD12 LEU A 14 -10.450 2.446 -4.605 1.00 0.79 H new ATOM 0 HD13 LEU A 14 -11.667 3.425 -3.752 1.00 0.79 H new ATOM 0 HD21 LEU A 14 -11.573 5.834 -5.630 1.00 0.72 H new ATOM 0 HD22 LEU A 14 -11.538 5.941 -3.854 1.00 0.72 H new ATOM 0 HD23 LEU A 14 -10.258 6.716 -4.818 1.00 0.72 H new ATOM 280 N GLU A 15 -6.656 4.737 -1.731 1.00 0.42 N ATOM 281 CA GLU A 15 -5.561 5.444 -1.082 1.00 0.38 C ATOM 282 C GLU A 15 -4.239 4.761 -1.406 1.00 0.30 C ATOM 283 O GLU A 15 -3.250 5.421 -1.718 1.00 0.33 O ATOM 284 CB GLU A 15 -5.772 5.495 0.434 1.00 0.51 C ATOM 285 CG GLU A 15 -7.077 6.215 0.807 1.00 0.77 C ATOM 286 CD GLU A 15 -6.857 7.332 1.819 1.00 1.25 C ATOM 287 OE1 GLU A 15 -6.131 7.078 2.801 1.00 2.77 O ATOM 288 OE2 GLU A 15 -7.456 8.412 1.622 1.00 2.14 O ATOM 0 H GLU A 15 -7.376 4.411 -1.087 1.00 0.42 H new ATOM 0 HA GLU A 15 -5.536 6.467 -1.458 1.00 0.38 H new ATOM 0 HB2 GLU A 15 -5.791 4.481 0.832 1.00 0.51 H new ATOM 0 HB3 GLU A 15 -4.930 6.005 0.901 1.00 0.51 H new ATOM 0 HG2 GLU A 15 -7.530 6.629 -0.094 1.00 0.77 H new ATOM 0 HG3 GLU A 15 -7.783 5.492 1.216 1.00 0.77 H new ATOM 295 N LEU A 16 -4.217 3.430 -1.343 1.00 0.29 N ATOM 296 CA LEU A 16 -2.992 2.693 -1.558 1.00 0.30 C ATOM 297 C LEU A 16 -2.565 2.873 -3.011 1.00 0.33 C ATOM 298 O LEU A 16 -1.381 3.046 -3.288 1.00 0.37 O ATOM 299 CB LEU A 16 -3.204 1.230 -1.173 1.00 0.35 C ATOM 300 CG LEU A 16 -2.883 0.922 0.297 1.00 0.37 C ATOM 301 CD1 LEU A 16 -3.385 -0.484 0.627 1.00 0.39 C ATOM 302 CD2 LEU A 16 -1.388 0.991 0.601 1.00 0.46 C ATOM 0 H LEU A 16 -5.033 2.851 -1.145 1.00 0.29 H new ATOM 0 HA LEU A 16 -2.186 3.070 -0.928 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -4.240 0.958 -1.373 1.00 0.35 H new ATOM 0 HB3 LEU A 16 -2.581 0.603 -1.810 1.00 0.35 H new ATOM 0 HG LEU A 16 -3.379 1.678 0.906 1.00 0.37 H new ATOM 0 HD11 LEU A 16 -3.163 -0.714 1.669 1.00 0.39 H new ATOM 0 HD12 LEU A 16 -4.462 -0.533 0.466 1.00 0.39 H new ATOM 0 HD13 LEU A 16 -2.889 -1.208 -0.019 1.00 0.39 H new ATOM 0 HD21 LEU A 16 -1.220 0.765 1.654 1.00 0.46 H new ATOM 0 HD22 LEU A 16 -0.858 0.265 -0.015 1.00 0.46 H new ATOM 0 HD23 LEU A 16 -1.018 1.993 0.382 1.00 0.46 H new ATOM 314 N GLU A 17 -3.526 2.897 -3.940 1.00 0.36 N ATOM 315 CA GLU A 17 -3.253 3.256 -5.316 1.00 0.44 C ATOM 316 C GLU A 17 -2.685 4.663 -5.412 1.00 0.45 C ATOM 317 O GLU A 17 -1.673 4.842 -6.075 1.00 0.53 O ATOM 318 CB GLU A 17 -4.478 3.078 -6.226 1.00 0.55 C ATOM 319 CG GLU A 17 -4.156 1.968 -7.232 1.00 0.87 C ATOM 320 CD GLU A 17 -5.153 1.870 -8.370 1.00 1.44 C ATOM 321 OE1 GLU A 17 -5.709 2.917 -8.757 1.00 2.61 O ATOM 322 OE2 GLU A 17 -5.234 0.746 -8.914 1.00 2.23 O ATOM 0 H GLU A 17 -4.502 2.669 -3.752 1.00 0.36 H new ATOM 0 HA GLU A 17 -2.496 2.562 -5.680 1.00 0.44 H new ATOM 0 HB2 GLU A 17 -5.357 2.816 -5.637 1.00 0.55 H new ATOM 0 HB3 GLU A 17 -4.707 4.009 -6.745 1.00 0.55 H new ATOM 0 HG2 GLU A 17 -3.162 2.141 -7.645 1.00 0.87 H new ATOM 0 HG3 GLU A 17 -4.121 1.013 -6.708 1.00 0.87 H new ATOM 329 N LYS A 18 -3.303 5.654 -4.767 1.00 0.43 N ATOM 330 CA LYS A 18 -2.800 7.021 -4.762 1.00 0.54 C ATOM 331 C LYS A 18 -1.334 7.028 -4.327 1.00 0.47 C ATOM 332 O LYS A 18 -0.478 7.589 -5.011 1.00 0.54 O ATOM 333 CB LYS A 18 -3.672 7.903 -3.856 1.00 0.70 C ATOM 334 CG LYS A 18 -3.304 9.393 -3.956 1.00 0.86 C ATOM 335 CD LYS A 18 -4.543 10.272 -4.185 1.00 1.59 C ATOM 336 CE LYS A 18 -5.157 10.109 -5.586 1.00 2.73 C ATOM 337 NZ LYS A 18 -4.271 10.604 -6.662 1.00 4.06 N ATOM 0 H LYS A 18 -4.164 5.528 -4.236 1.00 0.43 H new ATOM 0 HA LYS A 18 -2.853 7.437 -5.768 1.00 0.54 H new ATOM 0 HB2 LYS A 18 -4.720 7.772 -4.126 1.00 0.70 H new ATOM 0 HB3 LYS A 18 -3.565 7.574 -2.822 1.00 0.70 H new ATOM 0 HG2 LYS A 18 -2.801 9.705 -3.041 1.00 0.86 H new ATOM 0 HG3 LYS A 18 -2.598 9.539 -4.774 1.00 0.86 H new ATOM 0 HD2 LYS A 18 -5.296 10.028 -3.436 1.00 1.59 H new ATOM 0 HD3 LYS A 18 -4.271 11.317 -4.035 1.00 1.59 H new ATOM 0 HE2 LYS A 18 -5.379 9.056 -5.760 1.00 2.73 H new ATOM 0 HE3 LYS A 18 -6.105 10.645 -5.627 1.00 2.73 H new ATOM 0 HZ1 LYS A 18 -4.779 10.580 -7.569 1.00 4.06 H new ATOM 0 HZ2 LYS A 18 -3.983 11.581 -6.453 1.00 4.06 H new ATOM 0 HZ3 LYS A 18 -3.427 10.000 -6.722 1.00 4.06 H new ATOM 351 N GLU A 19 -1.040 6.385 -3.198 1.00 0.40 N ATOM 352 CA GLU A 19 0.317 6.325 -2.700 1.00 0.40 C ATOM 353 C GLU A 19 1.230 5.633 -3.713 1.00 0.42 C ATOM 354 O GLU A 19 2.262 6.181 -4.070 1.00 0.56 O ATOM 355 CB GLU A 19 0.356 5.665 -1.322 1.00 0.52 C ATOM 356 CG GLU A 19 1.607 6.159 -0.592 1.00 1.74 C ATOM 357 CD GLU A 19 1.725 5.551 0.790 1.00 2.19 C ATOM 358 OE1 GLU A 19 1.391 4.358 0.920 1.00 2.90 O ATOM 359 OE2 GLU A 19 2.208 6.298 1.671 1.00 3.09 O ATOM 0 H GLU A 19 -1.727 5.902 -2.618 1.00 0.40 H new ATOM 0 HA GLU A 19 0.696 7.339 -2.574 1.00 0.40 H new ATOM 0 HB2 GLU A 19 -0.540 5.916 -0.754 1.00 0.52 H new ATOM 0 HB3 GLU A 19 0.377 4.580 -1.421 1.00 0.52 H new ATOM 0 HG2 GLU A 19 2.492 5.909 -1.177 1.00 1.74 H new ATOM 0 HG3 GLU A 19 1.576 7.245 -0.510 1.00 1.74 H new ATOM 366 N PHE A 20 0.844 4.465 -4.221 1.00 0.38 N ATOM 367 CA PHE A 20 1.603 3.698 -5.207 1.00 0.41 C ATOM 368 C PHE A 20 1.844 4.492 -6.505 1.00 0.42 C ATOM 369 O PHE A 20 2.880 4.356 -7.160 1.00 0.49 O ATOM 370 CB PHE A 20 0.837 2.395 -5.471 1.00 0.44 C ATOM 371 CG PHE A 20 1.589 1.352 -6.271 1.00 0.53 C ATOM 372 CD1 PHE A 20 1.690 1.472 -7.667 1.00 1.77 C ATOM 373 CD2 PHE A 20 2.137 0.229 -5.629 1.00 2.18 C ATOM 374 CE1 PHE A 20 2.380 0.497 -8.405 1.00 1.65 C ATOM 375 CE2 PHE A 20 2.768 -0.777 -6.377 1.00 2.36 C ATOM 376 CZ PHE A 20 2.894 -0.644 -7.769 1.00 0.87 C ATOM 0 H PHE A 20 -0.030 4.013 -3.951 1.00 0.38 H new ATOM 0 HA PHE A 20 2.596 3.478 -4.815 1.00 0.41 H new ATOM 0 HB2 PHE A 20 0.554 1.959 -4.513 1.00 0.44 H new ATOM 0 HB3 PHE A 20 -0.087 2.636 -5.997 1.00 0.44 H new ATOM 0 HD1 PHE A 20 1.238 2.313 -8.172 1.00 1.77 H new ATOM 0 HD2 PHE A 20 2.072 0.139 -4.555 1.00 2.18 H new ATOM 0 HE1 PHE A 20 2.516 0.626 -9.469 1.00 1.65 H new ATOM 0 HE2 PHE A 20 3.157 -1.654 -5.881 1.00 2.36 H new ATOM 0 HZ PHE A 20 3.383 -1.414 -8.347 1.00 0.87 H new ATOM 386 N HIS A 21 0.857 5.296 -6.907 1.00 0.49 N ATOM 387 CA HIS A 21 0.930 6.229 -8.024 1.00 0.60 C ATOM 388 C HIS A 21 1.967 7.304 -7.718 1.00 0.56 C ATOM 389 O HIS A 21 2.696 7.713 -8.622 1.00 0.60 O ATOM 390 CB HIS A 21 -0.472 6.798 -8.324 1.00 0.77 C ATOM 391 CG HIS A 21 -0.551 8.248 -8.738 1.00 2.16 C ATOM 392 ND1 HIS A 21 -0.794 8.722 -10.008 1.00 2.74 N ATOM 393 CD2 HIS A 21 -0.662 9.313 -7.880 1.00 3.80 C ATOM 394 CE1 HIS A 21 -1.026 10.044 -9.910 1.00 4.14 C ATOM 395 NE2 HIS A 21 -0.982 10.446 -8.628 1.00 4.87 N ATOM 0 H HIS A 21 -0.050 5.312 -6.441 1.00 0.49 H new ATOM 0 HA HIS A 21 1.257 5.720 -8.931 1.00 0.60 H new ATOM 0 HB2 HIS A 21 -0.920 6.196 -9.114 1.00 0.77 H new ATOM 0 HB3 HIS A 21 -1.088 6.666 -7.435 1.00 0.77 H new ATOM 0 HD2 HIS A 21 -0.525 9.280 -6.809 1.00 3.80 H new ATOM 0 HE1 HIS A 21 -1.221 10.695 -10.749 1.00 4.14 H new ATOM 0 HE2 HIS A 21 -1.149 11.388 -8.274 1.00 4.87 H new ATOM 403 N PHE A 22 2.048 7.734 -6.455 1.00 0.55 N ATOM 404 CA PHE A 22 2.964 8.785 -6.048 1.00 0.58 C ATOM 405 C PHE A 22 4.340 8.167 -5.851 1.00 0.52 C ATOM 406 O PHE A 22 5.246 8.349 -6.662 1.00 0.72 O ATOM 407 CB PHE A 22 2.441 9.470 -4.770 1.00 0.66 C ATOM 408 CG PHE A 22 3.467 10.242 -3.954 1.00 0.71 C ATOM 409 CD1 PHE A 22 4.472 10.979 -4.616 1.00 2.14 C ATOM 410 CD2 PHE A 22 3.223 10.495 -2.592 1.00 2.16 C ATOM 411 CE1 PHE A 22 5.317 11.840 -3.896 1.00 2.17 C ATOM 412 CE2 PHE A 22 4.043 11.388 -1.877 1.00 2.24 C ATOM 413 CZ PHE A 22 5.109 12.038 -2.522 1.00 1.01 C ATOM 0 H PHE A 22 1.480 7.360 -5.695 1.00 0.55 H new ATOM 0 HA PHE A 22 3.038 9.558 -6.813 1.00 0.58 H new ATOM 0 HB2 PHE A 22 1.641 10.155 -5.051 1.00 0.66 H new ATOM 0 HB3 PHE A 22 1.997 8.708 -4.130 1.00 0.66 H new ATOM 0 HD1 PHE A 22 4.593 10.880 -5.685 1.00 2.14 H new ATOM 0 HD2 PHE A 22 2.402 10.002 -2.092 1.00 2.16 H new ATOM 0 HE1 PHE A 22 6.126 12.349 -4.399 1.00 2.17 H new ATOM 0 HE2 PHE A 22 3.853 11.574 -0.830 1.00 2.24 H new ATOM 0 HZ PHE A 22 5.766 12.688 -1.963 1.00 1.01 H new ATOM 423 N ASN A 23 4.497 7.454 -4.749 1.00 0.89 N ATOM 424 CA ASN A 23 5.738 6.864 -4.334 1.00 0.91 C ATOM 425 C ASN A 23 5.776 5.422 -4.805 1.00 0.85 C ATOM 426 O ASN A 23 5.019 4.580 -4.326 1.00 0.76 O ATOM 427 CB ASN A 23 5.837 6.911 -2.810 1.00 0.89 C ATOM 428 CG ASN A 23 5.950 8.316 -2.233 1.00 1.98 C ATOM 429 OD1 ASN A 23 5.274 8.647 -1.262 1.00 3.46 O ATOM 430 ND2 ASN A 23 6.813 9.155 -2.792 1.00 2.49 N ATOM 0 H ASN A 23 3.730 7.269 -4.102 1.00 0.89 H new ATOM 0 HA ASN A 23 6.575 7.414 -4.764 1.00 0.91 H new ATOM 0 HB2 ASN A 23 4.958 6.426 -2.385 1.00 0.89 H new ATOM 0 HB3 ASN A 23 6.705 6.331 -2.496 1.00 0.89 H new ATOM 0 HD21 ASN A 23 6.926 10.096 -2.416 1.00 2.49 H new ATOM 0 HD22 ASN A 23 7.364 8.858 -3.598 1.00 2.49 H new ATOM 437 N ARG A 24 6.749 5.112 -5.662 1.00 1.07 N ATOM 438 CA ARG A 24 7.117 3.735 -5.908 1.00 1.21 C ATOM 439 C ARG A 24 8.064 3.166 -4.826 1.00 1.27 C ATOM 440 O ARG A 24 8.459 2.013 -5.019 1.00 1.62 O ATOM 441 CB ARG A 24 7.616 3.534 -7.361 1.00 1.40 C ATOM 442 CG ARG A 24 6.491 3.186 -8.364 1.00 1.50 C ATOM 443 CD ARG A 24 5.941 4.404 -9.119 1.00 2.52 C ATOM 444 NE ARG A 24 4.615 4.139 -9.695 1.00 3.16 N ATOM 445 CZ ARG A 24 4.037 4.850 -10.677 1.00 4.83 C ATOM 446 NH1 ARG A 24 4.701 5.851 -11.265 1.00 5.93 N ATOM 447 NH2 ARG A 24 2.797 4.549 -11.079 1.00 6.04 N ATOM 0 H ARG A 24 7.288 5.798 -6.190 1.00 1.07 H new ATOM 0 HA ARG A 24 6.214 3.132 -5.818 1.00 1.21 H new ATOM 0 HB2 ARG A 24 8.117 4.443 -7.692 1.00 1.40 H new ATOM 0 HB3 ARG A 24 8.360 2.738 -7.373 1.00 1.40 H new ATOM 0 HG2 ARG A 24 6.870 2.463 -9.086 1.00 1.50 H new ATOM 0 HG3 ARG A 24 5.674 2.703 -7.828 1.00 1.50 H new ATOM 0 HD2 ARG A 24 5.878 5.254 -8.440 1.00 2.52 H new ATOM 0 HD3 ARG A 24 6.633 4.681 -9.914 1.00 2.52 H new ATOM 0 HE ARG A 24 4.090 3.350 -9.318 1.00 3.16 H new ATOM 0 HH11 ARG A 24 5.650 6.077 -10.968 1.00 5.93 H new ATOM 0 HH12 ARG A 24 4.258 6.388 -12.010 1.00 5.93 H new ATOM 0 HH21 ARG A 24 2.291 3.780 -10.640 1.00 6.04 H new ATOM 0 HH22 ARG A 24 2.358 5.089 -11.825 1.00 6.04 H new ATOM 461 N TYR A 25 8.334 3.821 -3.670 1.00 1.00 N ATOM 462 CA TYR A 25 8.738 3.038 -2.487 1.00 0.75 C ATOM 463 C TYR A 25 8.277 3.711 -1.203 1.00 0.68 C ATOM 464 O TYR A 25 8.008 4.907 -1.189 1.00 0.74 O ATOM 465 CB TYR A 25 10.257 2.809 -2.387 1.00 0.78 C ATOM 466 CG TYR A 25 10.805 1.571 -3.071 1.00 0.89 C ATOM 467 CD1 TYR A 25 10.393 0.273 -2.726 1.00 2.14 C ATOM 468 CD2 TYR A 25 11.588 1.770 -4.226 1.00 2.23 C ATOM 469 CE1 TYR A 25 10.754 -0.812 -3.549 1.00 2.23 C ATOM 470 CE2 TYR A 25 11.961 0.685 -5.032 1.00 2.35 C ATOM 471 CZ TYR A 25 11.552 -0.610 -4.688 1.00 1.33 C ATOM 472 OH TYR A 25 11.528 -1.550 -5.676 1.00 1.86 O ATOM 0 H TYR A 25 8.283 4.831 -3.537 1.00 1.00 H new ATOM 0 HA TYR A 25 8.256 2.068 -2.613 1.00 0.75 H new ATOM 0 HB2 TYR A 25 10.761 3.680 -2.805 1.00 0.78 H new ATOM 0 HB3 TYR A 25 10.525 2.762 -1.332 1.00 0.78 H new ATOM 0 HD1 TYR A 25 9.804 0.108 -1.836 1.00 2.14 H new ATOM 0 HD2 TYR A 25 11.904 2.768 -4.493 1.00 2.23 H new ATOM 0 HE1 TYR A 25 10.415 -1.807 -3.303 1.00 2.23 H new ATOM 0 HE2 TYR A 25 12.561 0.847 -5.915 1.00 2.35 H new ATOM 0 HH TYR A 25 12.127 -1.277 -6.402 1.00 1.86 H new ATOM 482 N LEU A 26 8.246 2.929 -0.120 1.00 0.64 N ATOM 483 CA LEU A 26 7.990 3.396 1.226 1.00 0.63 C ATOM 484 C LEU A 26 8.968 2.719 2.173 1.00 0.57 C ATOM 485 O LEU A 26 9.292 1.542 1.995 1.00 0.72 O ATOM 486 CB LEU A 26 6.587 2.995 1.670 1.00 0.72 C ATOM 487 CG LEU A 26 5.456 3.500 0.779 1.00 0.81 C ATOM 488 CD1 LEU A 26 4.165 2.953 1.386 1.00 0.90 C ATOM 489 CD2 LEU A 26 5.411 5.032 0.698 1.00 0.95 C ATOM 0 H LEU A 26 8.405 1.923 -0.168 1.00 0.64 H new ATOM 0 HA LEU A 26 8.095 4.481 1.243 1.00 0.63 H new ATOM 0 HB2 LEU A 26 6.534 1.907 1.716 1.00 0.72 H new ATOM 0 HB3 LEU A 26 6.424 3.365 2.682 1.00 0.72 H new ATOM 0 HG LEU A 26 5.603 3.159 -0.246 1.00 0.81 H new ATOM 0 HD11 LEU A 26 3.314 3.282 0.789 1.00 0.90 H new ATOM 0 HD12 LEU A 26 4.201 1.864 1.397 1.00 0.90 H new ATOM 0 HD13 LEU A 26 4.057 3.322 2.406 1.00 0.90 H new ATOM 0 HD21 LEU A 26 4.588 5.338 0.052 1.00 0.95 H new ATOM 0 HD22 LEU A 26 5.262 5.445 1.696 1.00 0.95 H new ATOM 0 HD23 LEU A 26 6.351 5.402 0.289 1.00 0.95 H new ATOM 501 N THR A 27 9.375 3.454 3.204 1.00 0.66 N ATOM 502 CA THR A 27 10.241 3.001 4.274 1.00 0.74 C ATOM 503 C THR A 27 9.383 2.620 5.484 1.00 0.64 C ATOM 504 O THR A 27 8.186 2.901 5.511 1.00 0.53 O ATOM 505 CB THR A 27 11.199 4.152 4.602 1.00 0.99 C ATOM 506 OG1 THR A 27 10.466 5.355 4.715 1.00 1.18 O ATOM 507 CG2 THR A 27 12.251 4.308 3.499 1.00 1.01 C ATOM 0 H THR A 27 9.093 4.428 3.316 1.00 0.66 H new ATOM 0 HA THR A 27 10.817 2.121 3.987 1.00 0.74 H new ATOM 0 HB THR A 27 11.702 3.929 5.543 1.00 0.99 H new ATOM 0 HG1 THR A 27 11.077 6.092 4.926 1.00 1.18 H new ATOM 0 HG21 THR A 27 12.922 5.130 3.750 1.00 1.01 H new ATOM 0 HG22 THR A 27 12.825 3.385 3.410 1.00 1.01 H new ATOM 0 HG23 THR A 27 11.756 4.520 2.551 1.00 1.01 H new ATOM 515 N ARG A 28 10.006 1.985 6.483 1.00 0.71 N ATOM 516 CA ARG A 28 9.360 1.517 7.704 1.00 0.68 C ATOM 517 C ARG A 28 8.449 2.597 8.301 1.00 0.59 C ATOM 518 O ARG A 28 7.237 2.420 8.373 1.00 0.50 O ATOM 519 CB ARG A 28 10.456 1.056 8.680 1.00 0.80 C ATOM 520 CG ARG A 28 9.900 0.455 9.977 1.00 0.88 C ATOM 521 CD ARG A 28 11.030 -0.123 10.844 1.00 1.47 C ATOM 522 NE ARG A 28 12.015 0.901 11.239 1.00 2.03 N ATOM 523 CZ ARG A 28 11.872 1.785 12.243 1.00 2.64 C ATOM 524 NH1 ARG A 28 10.755 1.784 12.978 1.00 2.85 N ATOM 525 NH2 ARG A 28 12.843 2.669 12.499 1.00 4.06 N ATOM 0 H ARG A 28 11.005 1.779 6.459 1.00 0.71 H new ATOM 0 HA ARG A 28 8.706 0.672 7.487 1.00 0.68 H new ATOM 0 HB2 ARG A 28 11.085 0.316 8.185 1.00 0.80 H new ATOM 0 HB3 ARG A 28 11.095 1.905 8.925 1.00 0.80 H new ATOM 0 HG2 ARG A 28 9.363 1.221 10.536 1.00 0.88 H new ATOM 0 HG3 ARG A 28 9.181 -0.329 9.740 1.00 0.88 H new ATOM 0 HD2 ARG A 28 10.603 -0.576 11.738 1.00 1.47 H new ATOM 0 HD3 ARG A 28 11.536 -0.917 10.295 1.00 1.47 H new ATOM 0 HE ARG A 28 12.882 0.943 10.703 1.00 2.03 H new ATOM 0 HH11 ARG A 28 10.013 1.114 12.777 1.00 2.85 H new ATOM 0 HH12 ARG A 28 10.645 2.454 13.740 1.00 2.85 H new ATOM 0 HH21 ARG A 28 13.692 2.673 11.933 1.00 4.06 H new ATOM 0 HH22 ARG A 28 12.735 3.339 13.260 1.00 4.06 H new ATOM 539 N ARG A 29 9.021 3.733 8.711 1.00 0.66 N ATOM 540 CA ARG A 29 8.266 4.813 9.342 1.00 0.66 C ATOM 541 C ARG A 29 7.083 5.261 8.477 1.00 0.56 C ATOM 542 O ARG A 29 5.997 5.532 8.995 1.00 0.52 O ATOM 543 CB ARG A 29 9.217 5.979 9.664 1.00 0.87 C ATOM 544 CG ARG A 29 8.527 7.287 10.085 1.00 0.98 C ATOM 545 CD ARG A 29 7.591 7.135 11.295 1.00 2.08 C ATOM 546 NE ARG A 29 6.200 7.460 10.936 1.00 3.60 N ATOM 547 CZ ARG A 29 5.619 8.660 11.105 1.00 4.62 C ATOM 548 NH1 ARG A 29 6.368 9.735 11.368 1.00 4.47 N ATOM 549 NH2 ARG A 29 4.293 8.779 11.028 1.00 6.44 N ATOM 0 H ARG A 29 10.018 3.927 8.614 1.00 0.66 H new ATOM 0 HA ARG A 29 7.836 4.445 10.274 1.00 0.66 H new ATOM 0 HB2 ARG A 29 9.890 5.668 10.463 1.00 0.87 H new ATOM 0 HB3 ARG A 29 9.833 6.178 8.787 1.00 0.87 H new ATOM 0 HG2 ARG A 29 9.290 8.030 10.319 1.00 0.98 H new ATOM 0 HG3 ARG A 29 7.955 7.672 9.241 1.00 0.98 H new ATOM 0 HD2 ARG A 29 7.643 6.114 11.672 1.00 2.08 H new ATOM 0 HD3 ARG A 29 7.924 7.790 12.100 1.00 2.08 H new ATOM 0 HE ARG A 29 5.634 6.717 10.527 1.00 3.60 H new ATOM 0 HH11 ARG A 29 7.381 9.645 11.441 1.00 4.47 H new ATOM 0 HH12 ARG A 29 5.926 10.645 11.496 1.00 4.47 H new ATOM 0 HH21 ARG A 29 3.717 7.958 10.840 1.00 6.44 H new ATOM 0 HH22 ARG A 29 3.854 9.691 11.157 1.00 6.44 H new ATOM 563 N ARG A 30 7.301 5.350 7.162 1.00 0.63 N ATOM 564 CA ARG A 30 6.253 5.735 6.231 1.00 0.57 C ATOM 565 C ARG A 30 5.128 4.704 6.292 1.00 0.47 C ATOM 566 O ARG A 30 3.965 5.054 6.470 1.00 0.51 O ATOM 567 CB ARG A 30 6.806 5.844 4.797 1.00 0.65 C ATOM 568 CG ARG A 30 6.414 7.150 4.096 1.00 0.98 C ATOM 569 CD ARG A 30 4.915 7.486 4.202 1.00 0.86 C ATOM 570 NE ARG A 30 4.199 7.515 2.924 1.00 1.34 N ATOM 571 CZ ARG A 30 4.436 8.372 1.927 1.00 2.16 C ATOM 572 NH1 ARG A 30 5.411 9.280 2.023 1.00 2.78 N ATOM 573 NH2 ARG A 30 3.699 8.282 0.828 1.00 2.85 N ATOM 0 H ARG A 30 8.201 5.158 6.723 1.00 0.63 H new ATOM 0 HA ARG A 30 5.866 6.714 6.513 1.00 0.57 H new ATOM 0 HB2 ARG A 30 7.893 5.767 4.827 1.00 0.65 H new ATOM 0 HB3 ARG A 30 6.443 5.001 4.209 1.00 0.65 H new ATOM 0 HG2 ARG A 30 6.992 7.969 4.524 1.00 0.98 H new ATOM 0 HG3 ARG A 30 6.688 7.083 3.043 1.00 0.98 H new ATOM 0 HD2 ARG A 30 4.438 6.753 4.853 1.00 0.86 H new ATOM 0 HD3 ARG A 30 4.808 8.458 4.684 1.00 0.86 H new ATOM 0 HE ARG A 30 3.460 6.826 2.784 1.00 1.34 H new ATOM 0 HH11 ARG A 30 5.985 9.325 2.865 1.00 2.78 H new ATOM 0 HH12 ARG A 30 5.581 9.928 1.254 1.00 2.78 H new ATOM 0 HH21 ARG A 30 2.971 7.570 0.759 1.00 2.85 H new ATOM 0 HH22 ARG A 30 3.860 8.924 0.052 1.00 2.85 H new ATOM 587 N ARG A 31 5.484 3.428 6.151 1.00 0.42 N ATOM 588 CA ARG A 31 4.525 2.341 6.193 1.00 0.40 C ATOM 589 C ARG A 31 3.735 2.401 7.504 1.00 0.40 C ATOM 590 O ARG A 31 2.509 2.362 7.465 1.00 0.48 O ATOM 591 CB ARG A 31 5.236 1.010 5.924 1.00 0.42 C ATOM 592 CG ARG A 31 4.265 -0.021 5.326 1.00 0.52 C ATOM 593 CD ARG A 31 4.988 -1.323 4.955 1.00 0.61 C ATOM 594 NE ARG A 31 6.130 -1.072 4.060 1.00 1.42 N ATOM 595 CZ ARG A 31 6.067 -0.843 2.737 1.00 3.20 C ATOM 596 NH1 ARG A 31 4.892 -0.934 2.104 1.00 4.60 N ATOM 597 NH2 ARG A 31 7.173 -0.522 2.053 1.00 4.13 N ATOM 0 H ARG A 31 6.447 3.126 6.005 1.00 0.42 H new ATOM 0 HA ARG A 31 3.783 2.438 5.400 1.00 0.40 H new ATOM 0 HB2 ARG A 31 6.069 1.170 5.240 1.00 0.42 H new ATOM 0 HB3 ARG A 31 5.656 0.624 6.853 1.00 0.42 H new ATOM 0 HG2 ARG A 31 3.472 -0.235 6.043 1.00 0.52 H new ATOM 0 HG3 ARG A 31 3.788 0.397 4.440 1.00 0.52 H new ATOM 0 HD2 ARG A 31 5.337 -1.817 5.862 1.00 0.61 H new ATOM 0 HD3 ARG A 31 4.288 -2.003 4.470 1.00 0.61 H new ATOM 0 HE ARG A 31 7.057 -1.072 4.485 1.00 1.42 H new ATOM 0 HH11 ARG A 31 4.049 -1.176 2.625 1.00 4.60 H new ATOM 0 HH12 ARG A 31 4.839 -0.761 1.100 1.00 4.60 H new ATOM 0 HH21 ARG A 31 8.069 -0.450 2.536 1.00 4.13 H new ATOM 0 HH22 ARG A 31 7.120 -0.349 1.049 1.00 4.13 H new ATOM 611 N ILE A 32 4.410 2.635 8.639 1.00 0.42 N ATOM 612 CA ILE A 32 3.731 2.903 9.902 1.00 0.45 C ATOM 613 C ILE A 32 2.779 4.099 9.767 1.00 0.45 C ATOM 614 O ILE A 32 1.668 4.046 10.287 1.00 0.50 O ATOM 615 CB ILE A 32 4.724 3.046 11.083 1.00 0.51 C ATOM 616 CG1 ILE A 32 5.129 1.673 11.659 1.00 0.59 C ATOM 617 CG2 ILE A 32 4.117 3.852 12.247 1.00 0.64 C ATOM 618 CD1 ILE A 32 6.229 0.978 10.860 1.00 1.48 C ATOM 0 H ILE A 32 5.428 2.643 8.701 1.00 0.42 H new ATOM 0 HA ILE A 32 3.118 2.035 10.144 1.00 0.45 H new ATOM 0 HB ILE A 32 5.592 3.561 10.671 1.00 0.51 H new ATOM 0 HG12 ILE A 32 5.466 1.804 12.687 1.00 0.59 H new ATOM 0 HG13 ILE A 32 4.251 1.028 11.691 1.00 0.59 H new ATOM 0 HG21 ILE A 32 4.845 3.929 13.055 1.00 0.64 H new ATOM 0 HG22 ILE A 32 3.853 4.851 11.899 1.00 0.64 H new ATOM 0 HG23 ILE A 32 3.223 3.347 12.612 1.00 0.64 H new ATOM 0 HD11 ILE A 32 6.463 0.019 11.322 1.00 1.48 H new ATOM 0 HD12 ILE A 32 5.888 0.815 9.838 1.00 1.48 H new ATOM 0 HD13 ILE A 32 7.122 1.603 10.850 1.00 1.48 H new ATOM 630 N GLU A 33 3.179 5.197 9.113 1.00 0.46 N ATOM 631 CA GLU A 33 2.301 6.357 8.983 1.00 0.51 C ATOM 632 C GLU A 33 1.026 6.027 8.215 1.00 0.52 C ATOM 633 O GLU A 33 -0.071 6.237 8.738 1.00 0.56 O ATOM 634 CB GLU A 33 3.037 7.606 8.470 1.00 0.55 C ATOM 635 CG GLU A 33 2.698 8.130 7.068 1.00 0.60 C ATOM 636 CD GLU A 33 3.504 9.385 6.746 1.00 1.44 C ATOM 637 OE1 GLU A 33 4.412 9.703 7.547 1.00 2.41 O ATOM 638 OE2 GLU A 33 3.218 9.983 5.688 1.00 1.98 O ATOM 0 H GLU A 33 4.093 5.302 8.673 1.00 0.46 H new ATOM 0 HA GLU A 33 1.974 6.624 9.988 1.00 0.51 H new ATOM 0 HB2 GLU A 33 2.854 8.413 9.179 1.00 0.55 H new ATOM 0 HB3 GLU A 33 4.106 7.395 8.496 1.00 0.55 H new ATOM 0 HG2 GLU A 33 2.907 7.359 6.327 1.00 0.60 H new ATOM 0 HG3 GLU A 33 1.633 8.351 7.006 1.00 0.60 H new ATOM 645 N ILE A 34 1.139 5.488 6.999 1.00 0.52 N ATOM 646 CA ILE A 34 -0.049 5.154 6.253 1.00 0.56 C ATOM 647 C ILE A 34 -0.828 4.072 7.012 1.00 0.53 C ATOM 648 O ILE A 34 -2.050 4.135 7.090 1.00 0.57 O ATOM 649 CB ILE A 34 0.264 4.842 4.777 1.00 0.65 C ATOM 650 CG1 ILE A 34 -1.068 4.446 4.141 1.00 0.96 C ATOM 651 CG2 ILE A 34 1.335 3.768 4.569 1.00 1.47 C ATOM 652 CD1 ILE A 34 -1.115 4.505 2.616 1.00 1.82 C ATOM 0 H ILE A 34 2.021 5.282 6.530 1.00 0.52 H new ATOM 0 HA ILE A 34 -0.712 6.017 6.184 1.00 0.56 H new ATOM 0 HB ILE A 34 0.700 5.723 4.305 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -1.312 3.431 4.455 1.00 0.96 H new ATOM 0 HG13 ILE A 34 -1.847 5.098 4.536 1.00 0.96 H new ATOM 0 HG21 ILE A 34 1.492 3.612 3.502 1.00 1.47 H new ATOM 0 HG22 ILE A 34 2.269 4.091 5.029 1.00 1.47 H new ATOM 0 HG23 ILE A 34 1.008 2.835 5.028 1.00 1.47 H new ATOM 0 HD11 ILE A 34 -2.104 4.205 2.271 1.00 1.82 H new ATOM 0 HD12 ILE A 34 -0.908 5.523 2.285 1.00 1.82 H new ATOM 0 HD13 ILE A 34 -0.366 3.830 2.203 1.00 1.82 H new ATOM 664 N ALA A 35 -0.140 3.120 7.645 1.00 0.51 N ATOM 665 CA ALA A 35 -0.792 2.120 8.476 1.00 0.52 C ATOM 666 C ALA A 35 -1.558 2.767 9.628 1.00 0.56 C ATOM 667 O ALA A 35 -2.628 2.278 9.971 1.00 0.61 O ATOM 668 CB ALA A 35 0.221 1.103 9.000 1.00 0.58 C ATOM 0 H ALA A 35 0.874 3.025 7.594 1.00 0.51 H new ATOM 0 HA ALA A 35 -1.514 1.592 7.853 1.00 0.52 H new ATOM 0 HB1 ALA A 35 -0.290 0.366 9.619 1.00 0.58 H new ATOM 0 HB2 ALA A 35 0.701 0.601 8.160 1.00 0.58 H new ATOM 0 HB3 ALA A 35 0.976 1.616 9.596 1.00 0.58 H new ATOM 674 N HIS A 36 -1.044 3.856 10.212 1.00 0.66 N ATOM 675 CA HIS A 36 -1.708 4.569 11.292 1.00 0.80 C ATOM 676 C HIS A 36 -2.953 5.249 10.744 1.00 0.57 C ATOM 677 O HIS A 36 -4.039 5.106 11.296 1.00 0.67 O ATOM 678 CB HIS A 36 -0.768 5.605 11.942 1.00 1.22 C ATOM 679 CG HIS A 36 -0.067 5.126 13.185 1.00 1.47 C ATOM 680 ND1 HIS A 36 1.198 5.475 13.599 1.00 2.86 N ATOM 681 CD2 HIS A 36 -0.670 4.470 14.222 1.00 2.67 C ATOM 682 CE1 HIS A 36 1.355 5.008 14.850 1.00 3.50 C ATOM 683 NE2 HIS A 36 0.244 4.388 15.275 1.00 3.76 N ATOM 0 H HIS A 36 -0.149 4.264 9.941 1.00 0.66 H new ATOM 0 HA HIS A 36 -1.989 3.855 12.066 1.00 0.80 H new ATOM 0 HB2 HIS A 36 -0.017 5.904 11.210 1.00 1.22 H new ATOM 0 HB3 HIS A 36 -1.346 6.496 12.188 1.00 1.22 H new ATOM 0 HD2 HIS A 36 -1.678 4.082 14.226 1.00 2.67 H new ATOM 0 HE1 HIS A 36 2.256 5.118 15.435 1.00 3.50 H new ATOM 0 HE2 HIS A 36 0.097 3.946 16.183 1.00 3.76 H new ATOM 691 N ALA A 37 -2.782 5.989 9.650 1.00 0.48 N ATOM 692 CA ALA A 37 -3.871 6.693 8.997 1.00 0.46 C ATOM 693 C ALA A 37 -5.004 5.742 8.618 1.00 0.49 C ATOM 694 O ALA A 37 -6.177 6.047 8.822 1.00 0.76 O ATOM 695 CB ALA A 37 -3.305 7.416 7.774 1.00 0.73 C ATOM 0 H ALA A 37 -1.878 6.114 9.194 1.00 0.48 H new ATOM 0 HA ALA A 37 -4.305 7.421 9.683 1.00 0.46 H new ATOM 0 HB1 ALA A 37 -4.106 7.953 7.266 1.00 0.73 H new ATOM 0 HB2 ALA A 37 -2.539 8.123 8.092 1.00 0.73 H new ATOM 0 HB3 ALA A 37 -2.867 6.688 7.092 1.00 0.73 H new ATOM 701 N LEU A 38 -4.636 4.597 8.050 1.00 0.42 N ATOM 702 CA LEU A 38 -5.554 3.662 7.420 1.00 0.61 C ATOM 703 C LEU A 38 -5.980 2.524 8.356 1.00 0.78 C ATOM 704 O LEU A 38 -6.914 1.786 8.055 1.00 1.30 O ATOM 705 CB LEU A 38 -4.848 3.152 6.162 1.00 0.61 C ATOM 706 CG LEU A 38 -5.758 2.945 4.954 1.00 0.85 C ATOM 707 CD1 LEU A 38 -6.470 4.250 4.564 1.00 0.96 C ATOM 708 CD2 LEU A 38 -4.833 2.545 3.803 1.00 0.86 C ATOM 0 H LEU A 38 -3.664 4.289 8.016 1.00 0.42 H new ATOM 0 HA LEU A 38 -6.490 4.159 7.166 1.00 0.61 H new ATOM 0 HB2 LEU A 38 -4.064 3.859 5.891 1.00 0.61 H new ATOM 0 HB3 LEU A 38 -4.358 2.207 6.396 1.00 0.61 H new ATOM 0 HG LEU A 38 -6.520 2.198 5.176 1.00 0.85 H new ATOM 0 HD11 LEU A 38 -7.111 4.071 3.701 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -7.077 4.597 5.400 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -5.728 5.009 4.314 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -5.424 2.381 2.902 1.00 0.86 H new ATOM 0 HD22 LEU A 38 -4.111 3.341 3.623 1.00 0.86 H new ATOM 0 HD23 LEU A 38 -4.305 1.628 4.063 1.00 0.86 H new ATOM 720 N SER A 39 -5.261 2.384 9.470 1.00 0.99 N ATOM 721 CA SER A 39 -5.448 1.419 10.548 1.00 1.31 C ATOM 722 C SER A 39 -5.267 -0.010 10.034 1.00 1.27 C ATOM 723 O SER A 39 -6.146 -0.854 10.206 1.00 1.73 O ATOM 724 CB SER A 39 -6.747 1.669 11.336 1.00 1.85 C ATOM 725 OG SER A 39 -7.897 1.163 10.693 1.00 1.75 O ATOM 0 H SER A 39 -4.466 2.996 9.655 1.00 0.99 H new ATOM 0 HA SER A 39 -4.662 1.564 11.289 1.00 1.31 H new ATOM 0 HB2 SER A 39 -6.660 1.212 12.321 1.00 1.85 H new ATOM 0 HB3 SER A 39 -6.869 2.741 11.492 1.00 1.85 H new ATOM 0 HG SER A 39 -7.693 0.289 10.298 1.00 1.75 H new ATOM 731 N LEU A 40 -4.119 -0.264 9.401 1.00 0.80 N ATOM 732 CA LEU A 40 -3.742 -1.559 8.850 1.00 0.68 C ATOM 733 C LEU A 40 -2.465 -2.047 9.530 1.00 0.51 C ATOM 734 O LEU A 40 -1.909 -1.357 10.381 1.00 0.58 O ATOM 735 CB LEU A 40 -3.540 -1.428 7.334 1.00 0.68 C ATOM 736 CG LEU A 40 -4.848 -1.157 6.574 1.00 1.18 C ATOM 737 CD1 LEU A 40 -4.517 -0.778 5.125 1.00 1.14 C ATOM 738 CD2 LEU A 40 -5.766 -2.387 6.581 1.00 1.63 C ATOM 0 H LEU A 40 -3.407 0.452 9.256 1.00 0.80 H new ATOM 0 HA LEU A 40 -4.532 -2.288 9.033 1.00 0.68 H new ATOM 0 HB2 LEU A 40 -2.837 -0.619 7.135 1.00 0.68 H new ATOM 0 HB3 LEU A 40 -3.088 -2.344 6.953 1.00 0.68 H new ATOM 0 HG LEU A 40 -5.372 -0.341 7.072 1.00 1.18 H new ATOM 0 HD11 LEU A 40 -5.441 -0.584 4.580 1.00 1.14 H new ATOM 0 HD12 LEU A 40 -3.896 0.117 5.116 1.00 1.14 H new ATOM 0 HD13 LEU A 40 -3.979 -1.598 4.648 1.00 1.14 H new ATOM 0 HD21 LEU A 40 -6.682 -2.161 6.035 1.00 1.63 H new ATOM 0 HD22 LEU A 40 -5.256 -3.224 6.104 1.00 1.63 H new ATOM 0 HD23 LEU A 40 -6.013 -2.651 7.609 1.00 1.63 H new ATOM 750 N THR A 41 -1.996 -3.240 9.157 1.00 0.51 N ATOM 751 CA THR A 41 -0.732 -3.779 9.627 1.00 0.47 C ATOM 752 C THR A 41 0.333 -3.555 8.554 1.00 0.47 C ATOM 753 O THR A 41 0.021 -3.525 7.359 1.00 0.58 O ATOM 754 CB THR A 41 -0.877 -5.271 9.967 1.00 0.58 C ATOM 755 OG1 THR A 41 -0.986 -6.059 8.794 1.00 1.28 O ATOM 756 CG2 THR A 41 -2.100 -5.530 10.855 1.00 1.11 C ATOM 0 H THR A 41 -2.492 -3.859 8.515 1.00 0.51 H new ATOM 0 HA THR A 41 -0.428 -3.265 10.539 1.00 0.47 H new ATOM 0 HB THR A 41 0.025 -5.555 10.510 1.00 0.58 H new ATOM 0 HG1 THR A 41 -1.075 -7.003 9.041 1.00 1.28 H new ATOM 0 HG21 THR A 41 -2.171 -6.595 11.075 1.00 1.11 H new ATOM 0 HG22 THR A 41 -1.998 -4.973 11.786 1.00 1.11 H new ATOM 0 HG23 THR A 41 -3.002 -5.206 10.336 1.00 1.11 H new ATOM 764 N GLU A 42 1.594 -3.463 8.985 1.00 0.49 N ATOM 765 CA GLU A 42 2.746 -3.490 8.099 1.00 0.52 C ATOM 766 C GLU A 42 2.582 -4.602 7.065 1.00 0.55 C ATOM 767 O GLU A 42 2.728 -4.370 5.868 1.00 0.61 O ATOM 768 CB GLU A 42 4.019 -3.722 8.928 1.00 0.69 C ATOM 769 CG GLU A 42 4.414 -2.470 9.718 1.00 1.60 C ATOM 770 CD GLU A 42 4.900 -1.387 8.769 1.00 2.80 C ATOM 771 OE1 GLU A 42 6.041 -1.532 8.278 1.00 3.56 O ATOM 772 OE2 GLU A 42 4.101 -0.465 8.511 1.00 4.00 O ATOM 0 H GLU A 42 1.839 -3.367 9.970 1.00 0.49 H new ATOM 0 HA GLU A 42 2.825 -2.537 7.576 1.00 0.52 H new ATOM 0 HB2 GLU A 42 3.859 -4.552 9.616 1.00 0.69 H new ATOM 0 HB3 GLU A 42 4.837 -4.009 8.267 1.00 0.69 H new ATOM 0 HG2 GLU A 42 3.560 -2.107 10.290 1.00 1.60 H new ATOM 0 HG3 GLU A 42 5.198 -2.715 10.435 1.00 1.60 H new ATOM 779 N ARG A 43 2.264 -5.812 7.537 1.00 0.64 N ATOM 780 CA ARG A 43 2.121 -6.974 6.677 1.00 0.72 C ATOM 781 C ARG A 43 1.046 -6.719 5.625 1.00 0.70 C ATOM 782 O ARG A 43 1.303 -6.910 4.441 1.00 0.73 O ATOM 783 CB ARG A 43 1.855 -8.236 7.517 1.00 0.83 C ATOM 784 CG ARG A 43 1.193 -9.355 6.694 1.00 2.13 C ATOM 785 CD ARG A 43 1.348 -10.729 7.363 1.00 2.59 C ATOM 786 NE ARG A 43 2.628 -11.386 7.030 1.00 3.64 N ATOM 787 CZ ARG A 43 2.877 -12.066 5.896 1.00 4.93 C ATOM 788 NH1 ARG A 43 1.983 -12.045 4.904 1.00 5.30 N ATOM 789 NH2 ARG A 43 4.011 -12.765 5.755 1.00 6.38 N ATOM 0 H ARG A 43 2.100 -6.005 8.525 1.00 0.64 H new ATOM 0 HA ARG A 43 3.053 -7.150 6.141 1.00 0.72 H new ATOM 0 HB2 ARG A 43 2.796 -8.600 7.930 1.00 0.83 H new ATOM 0 HB3 ARG A 43 1.214 -7.980 8.360 1.00 0.83 H new ATOM 0 HG2 ARG A 43 0.134 -9.132 6.565 1.00 2.13 H new ATOM 0 HG3 ARG A 43 1.636 -9.384 5.699 1.00 2.13 H new ATOM 0 HD2 ARG A 43 1.275 -10.612 8.444 1.00 2.59 H new ATOM 0 HD3 ARG A 43 0.524 -11.373 7.056 1.00 2.59 H new ATOM 0 HE ARG A 43 3.382 -11.319 7.713 1.00 3.64 H new ATOM 0 HH11 ARG A 43 1.117 -11.516 5.009 1.00 5.30 H new ATOM 0 HH12 ARG A 43 2.166 -12.558 4.042 1.00 5.30 H new ATOM 0 HH21 ARG A 43 4.695 -12.785 6.511 1.00 6.38 H new ATOM 0 HH22 ARG A 43 4.190 -13.277 4.891 1.00 6.38 H new ATOM 803 N GLN A 44 -0.151 -6.309 6.045 1.00 0.67 N ATOM 804 CA GLN A 44 -1.266 -6.101 5.130 1.00 0.70 C ATOM 805 C GLN A 44 -0.883 -5.094 4.054 1.00 0.57 C ATOM 806 O GLN A 44 -1.043 -5.364 2.863 1.00 0.55 O ATOM 807 CB GLN A 44 -2.481 -5.604 5.920 1.00 0.78 C ATOM 808 CG GLN A 44 -3.177 -6.766 6.633 1.00 1.03 C ATOM 809 CD GLN A 44 -4.245 -7.385 5.741 1.00 1.61 C ATOM 810 OE1 GLN A 44 -3.989 -8.345 5.020 1.00 2.77 O ATOM 811 NE2 GLN A 44 -5.449 -6.822 5.782 1.00 2.36 N ATOM 0 H GLN A 44 -0.371 -6.114 7.022 1.00 0.67 H new ATOM 0 HA GLN A 44 -1.516 -7.043 4.642 1.00 0.70 H new ATOM 0 HB2 GLN A 44 -2.166 -4.859 6.651 1.00 0.78 H new ATOM 0 HB3 GLN A 44 -3.182 -5.112 5.246 1.00 0.78 H new ATOM 0 HG2 GLN A 44 -2.442 -7.523 6.907 1.00 1.03 H new ATOM 0 HG3 GLN A 44 -3.630 -6.412 7.559 1.00 1.03 H new ATOM 0 HE21 GLN A 44 -5.619 -6.025 6.396 1.00 2.36 H new ATOM 0 HE22 GLN A 44 -6.203 -7.187 5.200 1.00 2.36 H new ATOM 820 N ILE A 45 -0.358 -3.940 4.472 1.00 0.52 N ATOM 821 CA ILE A 45 0.077 -2.932 3.520 1.00 0.47 C ATOM 822 C ILE A 45 1.117 -3.550 2.580 1.00 0.44 C ATOM 823 O ILE A 45 1.031 -3.384 1.363 1.00 0.43 O ATOM 824 CB ILE A 45 0.581 -1.676 4.265 1.00 0.51 C ATOM 825 CG1 ILE A 45 -0.580 -1.077 5.096 1.00 0.72 C ATOM 826 CG2 ILE A 45 1.204 -0.681 3.272 1.00 0.51 C ATOM 827 CD1 ILE A 45 -0.816 0.428 4.941 1.00 0.72 C ATOM 0 H ILE A 45 -0.227 -3.688 5.452 1.00 0.52 H new ATOM 0 HA ILE A 45 -0.756 -2.597 2.902 1.00 0.47 H new ATOM 0 HB ILE A 45 1.375 -1.937 4.965 1.00 0.51 H new ATOM 0 HG12 ILE A 45 -1.499 -1.597 4.826 1.00 0.72 H new ATOM 0 HG13 ILE A 45 -0.392 -1.288 6.149 1.00 0.72 H new ATOM 0 HG21 ILE A 45 1.555 0.199 3.811 1.00 0.51 H new ATOM 0 HG22 ILE A 45 2.044 -1.153 2.762 1.00 0.51 H new ATOM 0 HG23 ILE A 45 0.455 -0.383 2.538 1.00 0.51 H new ATOM 0 HD11 ILE A 45 -1.653 0.732 5.570 1.00 0.72 H new ATOM 0 HD12 ILE A 45 0.080 0.970 5.243 1.00 0.72 H new ATOM 0 HD13 ILE A 45 -1.044 0.655 3.900 1.00 0.72 H new ATOM 839 N LYS A 46 2.135 -4.215 3.134 1.00 0.46 N ATOM 840 CA LYS A 46 3.230 -4.739 2.332 1.00 0.47 C ATOM 841 C LYS A 46 2.688 -5.724 1.296 1.00 0.46 C ATOM 842 O LYS A 46 3.131 -5.709 0.154 1.00 0.45 O ATOM 843 CB LYS A 46 4.331 -5.352 3.222 1.00 0.52 C ATOM 844 CG LYS A 46 5.722 -5.336 2.554 1.00 0.58 C ATOM 845 CD LYS A 46 6.791 -4.724 3.482 1.00 2.12 C ATOM 846 CE LYS A 46 7.236 -5.681 4.599 1.00 2.57 C ATOM 847 NZ LYS A 46 8.312 -6.593 4.152 1.00 2.81 N ATOM 0 H LYS A 46 2.218 -4.400 4.134 1.00 0.46 H new ATOM 0 HA LYS A 46 3.703 -3.920 1.790 1.00 0.47 H new ATOM 0 HB2 LYS A 46 4.379 -4.803 4.162 1.00 0.52 H new ATOM 0 HB3 LYS A 46 4.063 -6.380 3.467 1.00 0.52 H new ATOM 0 HG2 LYS A 46 6.010 -6.353 2.288 1.00 0.58 H new ATOM 0 HG3 LYS A 46 5.674 -4.765 1.627 1.00 0.58 H new ATOM 0 HD2 LYS A 46 7.659 -4.439 2.888 1.00 2.12 H new ATOM 0 HD3 LYS A 46 6.397 -3.811 3.929 1.00 2.12 H new ATOM 0 HE2 LYS A 46 7.584 -5.102 5.455 1.00 2.57 H new ATOM 0 HE3 LYS A 46 6.381 -6.267 4.936 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 8.582 -7.221 4.935 1.00 2.81 H new ATOM 0 HZ2 LYS A 46 7.973 -7.164 3.352 1.00 2.81 H new ATOM 0 HZ3 LYS A 46 9.138 -6.036 3.854 1.00 2.81 H new ATOM 861 N ILE A 47 1.755 -6.592 1.710 1.00 0.51 N ATOM 862 CA ILE A 47 1.075 -7.562 0.859 1.00 0.54 C ATOM 863 C ILE A 47 0.334 -6.837 -0.259 1.00 0.49 C ATOM 864 O ILE A 47 0.524 -7.172 -1.425 1.00 0.49 O ATOM 865 CB ILE A 47 0.135 -8.470 1.682 1.00 0.62 C ATOM 866 CG1 ILE A 47 0.899 -9.525 2.505 1.00 0.71 C ATOM 867 CG2 ILE A 47 -0.915 -9.166 0.797 1.00 0.81 C ATOM 868 CD1 ILE A 47 1.707 -10.519 1.664 1.00 1.68 C ATOM 0 H ILE A 47 1.446 -6.635 2.681 1.00 0.51 H new ATOM 0 HA ILE A 47 1.819 -8.217 0.405 1.00 0.54 H new ATOM 0 HB ILE A 47 -0.377 -7.805 2.377 1.00 0.62 H new ATOM 0 HG12 ILE A 47 1.575 -9.014 3.191 1.00 0.71 H new ATOM 0 HG13 ILE A 47 0.186 -10.079 3.115 1.00 0.71 H new ATOM 0 HG21 ILE A 47 -1.554 -9.794 1.417 1.00 0.81 H new ATOM 0 HG22 ILE A 47 -1.523 -8.414 0.294 1.00 0.81 H new ATOM 0 HG23 ILE A 47 -0.412 -9.783 0.053 1.00 0.81 H new ATOM 0 HD11 ILE A 47 2.213 -11.226 2.322 1.00 1.68 H new ATOM 0 HD12 ILE A 47 1.036 -11.061 0.997 1.00 1.68 H new ATOM 0 HD13 ILE A 47 2.447 -9.979 1.074 1.00 1.68 H new ATOM 880 N TRP A 48 -0.504 -5.851 0.076 1.00 0.47 N ATOM 881 CA TRP A 48 -1.213 -5.098 -0.946 1.00 0.44 C ATOM 882 C TRP A 48 -0.207 -4.524 -1.950 1.00 0.36 C ATOM 883 O TRP A 48 -0.367 -4.699 -3.160 1.00 0.37 O ATOM 884 CB TRP A 48 -2.081 -4.014 -0.305 1.00 0.47 C ATOM 885 CG TRP A 48 -2.931 -3.248 -1.273 1.00 0.51 C ATOM 886 CD1 TRP A 48 -4.267 -3.377 -1.423 1.00 0.69 C ATOM 887 CD2 TRP A 48 -2.520 -2.222 -2.227 1.00 0.45 C ATOM 888 NE1 TRP A 48 -4.711 -2.511 -2.401 1.00 0.73 N ATOM 889 CE2 TRP A 48 -3.671 -1.781 -2.945 1.00 0.59 C ATOM 890 CE3 TRP A 48 -1.294 -1.590 -2.531 1.00 0.39 C ATOM 891 CZ2 TRP A 48 -3.595 -0.783 -3.931 1.00 0.61 C ATOM 892 CZ3 TRP A 48 -1.192 -0.665 -3.580 1.00 0.45 C ATOM 893 CH2 TRP A 48 -2.347 -0.227 -4.240 1.00 0.53 C ATOM 0 H TRP A 48 -0.702 -5.564 1.034 1.00 0.47 H new ATOM 0 HA TRP A 48 -1.887 -5.759 -1.492 1.00 0.44 H new ATOM 0 HB2 TRP A 48 -2.728 -4.477 0.440 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -1.435 -3.314 0.225 1.00 0.47 H new ATOM 0 HD1 TRP A 48 -4.893 -4.055 -0.862 1.00 0.69 H new ATOM 0 HE1 TRP A 48 -5.686 -2.421 -2.687 1.00 0.73 H new ATOM 0 HE3 TRP A 48 -0.418 -1.824 -1.944 1.00 0.39 H new ATOM 0 HZ2 TRP A 48 -4.486 -0.450 -4.443 1.00 0.61 H new ATOM 0 HZ3 TRP A 48 -0.224 -0.291 -3.879 1.00 0.45 H new ATOM 0 HH2 TRP A 48 -2.275 0.545 -4.992 1.00 0.53 H new ATOM 904 N PHE A 49 0.849 -3.874 -1.444 1.00 0.31 N ATOM 905 CA PHE A 49 1.919 -3.349 -2.284 1.00 0.31 C ATOM 906 C PHE A 49 2.488 -4.467 -3.154 1.00 0.38 C ATOM 907 O PHE A 49 2.617 -4.287 -4.359 1.00 0.47 O ATOM 908 CB PHE A 49 3.017 -2.662 -1.453 1.00 0.36 C ATOM 909 CG PHE A 49 2.934 -1.143 -1.434 1.00 0.44 C ATOM 910 CD1 PHE A 49 2.063 -0.493 -0.539 1.00 1.60 C ATOM 911 CD2 PHE A 49 3.693 -0.381 -2.344 1.00 1.87 C ATOM 912 CE1 PHE A 49 1.946 0.909 -0.565 1.00 1.60 C ATOM 913 CE2 PHE A 49 3.550 1.019 -2.388 1.00 1.98 C ATOM 914 CZ PHE A 49 2.653 1.659 -1.518 1.00 0.80 C ATOM 0 H PHE A 49 0.980 -3.701 -0.447 1.00 0.31 H new ATOM 0 HA PHE A 49 1.500 -2.581 -2.934 1.00 0.31 H new ATOM 0 HB2 PHE A 49 2.963 -3.029 -0.428 1.00 0.36 H new ATOM 0 HB3 PHE A 49 3.990 -2.956 -1.846 1.00 0.36 H new ATOM 0 HD1 PHE A 49 1.485 -1.070 0.167 1.00 1.60 H new ATOM 0 HD2 PHE A 49 4.387 -0.872 -3.010 1.00 1.87 H new ATOM 0 HE1 PHE A 49 1.310 1.410 0.150 1.00 1.60 H new ATOM 0 HE2 PHE A 49 4.130 1.600 -3.090 1.00 1.98 H new ATOM 0 HZ PHE A 49 2.507 2.727 -1.582 1.00 0.80 H new ATOM 924 N GLN A 50 2.819 -5.614 -2.560 1.00 0.41 N ATOM 925 CA GLN A 50 3.347 -6.778 -3.255 1.00 0.55 C ATOM 926 C GLN A 50 2.445 -7.165 -4.420 1.00 0.59 C ATOM 927 O GLN A 50 2.924 -7.318 -5.535 1.00 0.67 O ATOM 928 CB GLN A 50 3.539 -7.953 -2.284 1.00 0.61 C ATOM 929 CG GLN A 50 5.020 -8.304 -2.119 1.00 0.71 C ATOM 930 CD GLN A 50 5.214 -9.431 -1.113 1.00 0.98 C ATOM 931 OE1 GLN A 50 5.628 -10.529 -1.465 1.00 1.99 O ATOM 932 NE2 GLN A 50 4.919 -9.169 0.157 1.00 1.79 N ATOM 0 H GLN A 50 2.723 -5.758 -1.555 1.00 0.41 H new ATOM 0 HA GLN A 50 4.325 -6.520 -3.661 1.00 0.55 H new ATOM 0 HB2 GLN A 50 3.113 -7.698 -1.313 1.00 0.61 H new ATOM 0 HB3 GLN A 50 2.996 -8.824 -2.652 1.00 0.61 H new ATOM 0 HG2 GLN A 50 5.435 -8.599 -3.083 1.00 0.71 H new ATOM 0 HG3 GLN A 50 5.570 -7.422 -1.791 1.00 0.71 H new ATOM 0 HE21 GLN A 50 4.576 -8.245 0.421 1.00 1.79 H new ATOM 0 HE22 GLN A 50 5.036 -9.892 0.867 1.00 1.79 H new ATOM 941 N ASN A 51 1.145 -7.300 -4.165 1.00 0.59 N ATOM 942 CA ASN A 51 0.159 -7.602 -5.194 1.00 0.67 C ATOM 943 C ASN A 51 0.238 -6.559 -6.303 1.00 0.61 C ATOM 944 O ASN A 51 0.409 -6.892 -7.477 1.00 0.63 O ATOM 945 CB ASN A 51 -1.261 -7.633 -4.582 1.00 0.76 C ATOM 946 CG ASN A 51 -1.931 -9.004 -4.613 1.00 1.01 C ATOM 947 OD1 ASN A 51 -1.295 -10.034 -4.804 1.00 1.95 O ATOM 948 ND2 ASN A 51 -3.248 -9.036 -4.426 1.00 1.50 N ATOM 0 H ASN A 51 0.746 -7.202 -3.231 1.00 0.59 H new ATOM 0 HA ASN A 51 0.373 -8.584 -5.616 1.00 0.67 H new ATOM 0 HB2 ASN A 51 -1.205 -7.293 -3.548 1.00 0.76 H new ATOM 0 HB3 ASN A 51 -1.890 -6.922 -5.118 1.00 0.76 H new ATOM 0 HD21 ASN A 51 -3.744 -9.927 -4.440 1.00 1.50 H new ATOM 0 HD22 ASN A 51 -3.762 -8.169 -4.268 1.00 1.50 H new ATOM 955 N ARG A 52 0.030 -5.291 -5.945 1.00 0.58 N ATOM 956 CA ARG A 52 -0.097 -4.246 -6.947 1.00 0.53 C ATOM 957 C ARG A 52 1.187 -4.196 -7.776 1.00 0.52 C ATOM 958 O ARG A 52 1.140 -4.028 -8.985 1.00 0.48 O ATOM 959 CB ARG A 52 -0.464 -2.901 -6.280 1.00 0.62 C ATOM 960 CG ARG A 52 -1.593 -2.148 -7.009 1.00 1.03 C ATOM 961 CD ARG A 52 -1.095 -0.982 -7.867 1.00 1.71 C ATOM 962 NE ARG A 52 -2.208 -0.362 -8.617 1.00 2.07 N ATOM 963 CZ ARG A 52 -2.059 0.382 -9.724 1.00 3.39 C ATOM 964 NH1 ARG A 52 -0.833 0.744 -10.112 1.00 4.66 N ATOM 965 NH2 ARG A 52 -3.122 0.764 -10.435 1.00 3.91 N ATOM 0 H ARG A 52 -0.052 -4.971 -4.980 1.00 0.58 H new ATOM 0 HA ARG A 52 -0.915 -4.464 -7.634 1.00 0.53 H new ATOM 0 HB2 ARG A 52 -0.766 -3.085 -5.249 1.00 0.62 H new ATOM 0 HB3 ARG A 52 0.422 -2.267 -6.244 1.00 0.62 H new ATOM 0 HG2 ARG A 52 -2.136 -2.849 -7.643 1.00 1.03 H new ATOM 0 HG3 ARG A 52 -2.301 -1.770 -6.272 1.00 1.03 H new ATOM 0 HD2 ARG A 52 -0.620 -0.235 -7.231 1.00 1.71 H new ATOM 0 HD3 ARG A 52 -0.336 -1.337 -8.564 1.00 1.71 H new ATOM 0 HE ARG A 52 -3.155 -0.510 -8.269 1.00 2.07 H new ATOM 0 HH11 ARG A 52 -0.020 0.455 -9.568 1.00 4.66 H new ATOM 0 HH12 ARG A 52 -0.710 1.309 -10.952 1.00 4.66 H new ATOM 0 HH21 ARG A 52 -4.059 0.491 -10.139 1.00 3.91 H new ATOM 0 HH22 ARG A 52 -2.997 1.329 -11.275 1.00 3.91 H new ATOM 979 N ARG A 53 2.333 -4.356 -7.105 1.00 0.64 N ATOM 980 CA ARG A 53 3.673 -4.379 -7.674 1.00 0.63 C ATOM 981 C ARG A 53 3.895 -5.604 -8.559 1.00 0.68 C ATOM 982 O ARG A 53 4.535 -5.487 -9.599 1.00 0.71 O ATOM 983 CB ARG A 53 4.702 -4.330 -6.539 1.00 0.90 C ATOM 984 CG ARG A 53 6.101 -3.911 -6.992 1.00 1.12 C ATOM 985 CD ARG A 53 6.187 -2.426 -7.365 1.00 2.05 C ATOM 986 NE ARG A 53 7.515 -1.885 -7.022 1.00 2.51 N ATOM 987 CZ ARG A 53 7.767 -0.657 -6.540 1.00 3.57 C ATOM 988 NH1 ARG A 53 6.806 0.262 -6.435 1.00 4.58 N ATOM 989 NH2 ARG A 53 8.997 -0.339 -6.141 1.00 4.50 N ATOM 0 H ARG A 53 2.344 -4.479 -6.093 1.00 0.64 H new ATOM 0 HA ARG A 53 3.793 -3.505 -8.314 1.00 0.63 H new ATOM 0 HB2 ARG A 53 4.354 -3.634 -5.775 1.00 0.90 H new ATOM 0 HB3 ARG A 53 4.761 -5.313 -6.072 1.00 0.90 H new ATOM 0 HG2 ARG A 53 6.814 -4.122 -6.195 1.00 1.12 H new ATOM 0 HG3 ARG A 53 6.395 -4.514 -7.851 1.00 1.12 H new ATOM 0 HD2 ARG A 53 6.001 -2.301 -8.432 1.00 2.05 H new ATOM 0 HD3 ARG A 53 5.413 -1.867 -6.839 1.00 2.05 H new ATOM 0 HE ARG A 53 8.316 -2.500 -7.164 1.00 2.51 H new ATOM 0 HH11 ARG A 53 5.854 0.039 -6.724 1.00 4.58 H new ATOM 0 HH12 ARG A 53 7.024 1.188 -6.066 1.00 4.58 H new ATOM 0 HH21 ARG A 53 9.747 -1.028 -6.202 1.00 4.50 H new ATOM 0 HH22 ARG A 53 9.189 0.593 -5.775 1.00 4.50 H new ATOM 1003 N MET A 54 3.393 -6.769 -8.154 1.00 0.74 N ATOM 1004 CA MET A 54 3.372 -7.975 -8.966 1.00 0.80 C ATOM 1005 C MET A 54 2.634 -7.666 -10.273 1.00 0.73 C ATOM 1006 O MET A 54 3.145 -7.933 -11.361 1.00 0.82 O ATOM 1007 CB MET A 54 2.766 -9.130 -8.137 1.00 0.90 C ATOM 1008 CG MET A 54 2.205 -10.281 -8.976 1.00 1.04 C ATOM 1009 SD MET A 54 1.897 -11.853 -8.122 1.00 1.34 S ATOM 1010 CE MET A 54 0.629 -11.389 -6.924 1.00 3.24 C ATOM 0 H MET A 54 2.981 -6.899 -7.230 1.00 0.74 H new ATOM 0 HA MET A 54 4.372 -8.305 -9.248 1.00 0.80 H new ATOM 0 HB2 MET A 54 3.532 -9.523 -7.469 1.00 0.90 H new ATOM 0 HB3 MET A 54 1.969 -8.732 -7.509 1.00 0.90 H new ATOM 0 HG2 MET A 54 1.267 -9.949 -9.422 1.00 1.04 H new ATOM 0 HG3 MET A 54 2.898 -10.471 -9.796 1.00 1.04 H new ATOM 0 HE1 MET A 54 0.223 -12.287 -6.458 1.00 3.24 H new ATOM 0 HE2 MET A 54 1.068 -10.750 -6.158 1.00 3.24 H new ATOM 0 HE3 MET A 54 -0.171 -10.850 -7.431 1.00 3.24 H new ATOM 1020 N LYS A 55 1.446 -7.063 -10.171 1.00 0.64 N ATOM 1021 CA LYS A 55 0.653 -6.691 -11.335 1.00 0.72 C ATOM 1022 C LYS A 55 1.379 -5.652 -12.209 1.00 0.71 C ATOM 1023 O LYS A 55 1.635 -5.919 -13.375 1.00 0.79 O ATOM 1024 CB LYS A 55 -0.733 -6.214 -10.893 1.00 0.78 C ATOM 1025 CG LYS A 55 -1.723 -6.303 -12.060 1.00 1.19 C ATOM 1026 CD LYS A 55 -2.334 -7.699 -12.248 1.00 1.66 C ATOM 1027 CE LYS A 55 -3.583 -7.566 -13.135 1.00 2.60 C ATOM 1028 NZ LYS A 55 -4.165 -8.865 -13.525 1.00 3.49 N ATOM 0 H LYS A 55 1.012 -6.822 -9.280 1.00 0.64 H new ATOM 0 HA LYS A 55 0.520 -7.572 -11.962 1.00 0.72 H new ATOM 0 HB2 LYS A 55 -1.086 -6.822 -10.060 1.00 0.78 H new ATOM 0 HB3 LYS A 55 -0.674 -5.186 -10.534 1.00 0.78 H new ATOM 0 HG2 LYS A 55 -2.526 -5.584 -11.899 1.00 1.19 H new ATOM 0 HG3 LYS A 55 -1.214 -6.012 -12.979 1.00 1.19 H new ATOM 0 HD2 LYS A 55 -1.610 -8.371 -12.710 1.00 1.66 H new ATOM 0 HD3 LYS A 55 -2.598 -8.131 -11.283 1.00 1.66 H new ATOM 0 HE2 LYS A 55 -4.336 -6.983 -12.605 1.00 2.60 H new ATOM 0 HE3 LYS A 55 -3.323 -7.008 -14.034 1.00 2.60 H new ATOM 0 HZ1 LYS A 55 -5.002 -8.705 -14.121 1.00 3.49 H new ATOM 0 HZ2 LYS A 55 -3.461 -9.415 -14.057 1.00 3.49 H new ATOM 0 HZ3 LYS A 55 -4.442 -9.391 -12.672 1.00 3.49 H new ATOM 1042 N TRP A 56 1.808 -4.533 -11.618 1.00 0.67 N ATOM 1043 CA TRP A 56 2.755 -3.584 -12.188 1.00 0.68 C ATOM 1044 C TRP A 56 3.924 -4.250 -12.942 1.00 0.76 C ATOM 1045 O TRP A 56 4.023 -4.059 -14.149 1.00 0.88 O ATOM 1046 CB TRP A 56 3.217 -2.589 -11.115 1.00 0.69 C ATOM 1047 CG TRP A 56 3.369 -1.170 -11.566 1.00 0.75 C ATOM 1048 CD1 TRP A 56 2.374 -0.309 -11.869 1.00 0.84 C ATOM 1049 CD2 TRP A 56 4.615 -0.447 -11.826 1.00 0.86 C ATOM 1050 NE1 TRP A 56 2.912 0.923 -12.193 1.00 0.96 N ATOM 1051 CE2 TRP A 56 4.288 0.883 -12.216 1.00 0.98 C ATOM 1052 CE3 TRP A 56 5.990 -0.777 -11.782 1.00 0.98 C ATOM 1053 CZ2 TRP A 56 5.263 1.838 -12.527 1.00 1.15 C ATOM 1054 CZ3 TRP A 56 6.979 0.175 -12.099 1.00 1.17 C ATOM 1055 CH2 TRP A 56 6.616 1.487 -12.449 1.00 1.24 C ATOM 0 H TRP A 56 1.488 -4.257 -10.690 1.00 0.67 H new ATOM 0 HA TRP A 56 2.229 -3.025 -12.962 1.00 0.68 H new ATOM 0 HB2 TRP A 56 2.504 -2.614 -10.291 1.00 0.69 H new ATOM 0 HB3 TRP A 56 4.174 -2.929 -10.719 1.00 0.69 H new ATOM 0 HD1 TRP A 56 1.320 -0.546 -11.860 1.00 0.84 H new ATOM 0 HE1 TRP A 56 2.359 1.757 -12.390 1.00 0.96 H new ATOM 0 HE3 TRP A 56 6.287 -1.776 -11.500 1.00 0.98 H new ATOM 0 HZ2 TRP A 56 4.974 2.835 -12.824 1.00 1.15 H new ATOM 0 HZ3 TRP A 56 8.022 -0.105 -12.073 1.00 1.17 H new ATOM 0 HH2 TRP A 56 7.379 2.222 -12.657 1.00 1.24 H new ATOM 1066 N LYS A 57 4.774 -5.082 -12.327 1.00 0.80 N ATOM 1067 CA LYS A 57 5.861 -5.726 -13.076 1.00 0.95 C ATOM 1068 C LYS A 57 5.357 -6.562 -14.257 1.00 1.02 C ATOM 1069 O LYS A 57 6.071 -6.695 -15.252 1.00 1.36 O ATOM 1070 CB LYS A 57 6.819 -6.557 -12.201 1.00 1.14 C ATOM 1071 CG LYS A 57 8.011 -5.757 -11.653 1.00 1.27 C ATOM 1072 CD LYS A 57 7.606 -4.926 -10.435 1.00 2.09 C ATOM 1073 CE LYS A 57 8.764 -4.082 -9.883 1.00 2.48 C ATOM 1074 NZ LYS A 57 9.938 -4.896 -9.495 1.00 2.64 N ATOM 0 H LYS A 57 4.734 -5.321 -11.336 1.00 0.80 H new ATOM 0 HA LYS A 57 6.439 -4.891 -13.473 1.00 0.95 H new ATOM 0 HB2 LYS A 57 6.260 -6.977 -11.365 1.00 1.14 H new ATOM 0 HB3 LYS A 57 7.195 -7.396 -12.786 1.00 1.14 H new ATOM 0 HG2 LYS A 57 8.816 -6.440 -11.380 1.00 1.27 H new ATOM 0 HG3 LYS A 57 8.400 -5.101 -12.431 1.00 1.27 H new ATOM 0 HD2 LYS A 57 6.780 -4.269 -10.707 1.00 2.09 H new ATOM 0 HD3 LYS A 57 7.240 -5.590 -9.652 1.00 2.09 H new ATOM 0 HE2 LYS A 57 9.066 -3.353 -10.635 1.00 2.48 H new ATOM 0 HE3 LYS A 57 8.416 -3.520 -9.016 1.00 2.48 H new ATOM 0 HZ1 LYS A 57 10.646 -4.288 -9.037 1.00 2.64 H new ATOM 0 HZ2 LYS A 57 9.641 -5.640 -8.833 1.00 2.64 H new ATOM 0 HZ3 LYS A 57 10.353 -5.333 -10.343 1.00 2.64 H new ATOM 1088 N LYS A 58 4.153 -7.123 -14.151 1.00 0.88 N ATOM 1089 CA LYS A 58 3.534 -7.897 -15.212 1.00 0.99 C ATOM 1090 C LYS A 58 2.739 -7.012 -16.192 1.00 1.06 C ATOM 1091 O LYS A 58 2.268 -7.527 -17.203 1.00 1.35 O ATOM 1092 CB LYS A 58 2.703 -9.010 -14.552 1.00 1.04 C ATOM 1093 CG LYS A 58 2.180 -10.046 -15.554 1.00 2.41 C ATOM 1094 CD LYS A 58 2.035 -11.440 -14.922 1.00 2.31 C ATOM 1095 CE LYS A 58 0.969 -11.530 -13.823 1.00 3.15 C ATOM 1096 NZ LYS A 58 -0.382 -11.293 -14.363 1.00 4.76 N ATOM 0 H LYS A 58 3.577 -7.048 -13.312 1.00 0.88 H new ATOM 0 HA LYS A 58 4.293 -8.359 -15.843 1.00 0.99 H new ATOM 0 HB2 LYS A 58 3.313 -9.514 -13.802 1.00 1.04 H new ATOM 0 HB3 LYS A 58 1.859 -8.562 -14.028 1.00 1.04 H new ATOM 0 HG2 LYS A 58 1.214 -9.721 -15.940 1.00 2.41 H new ATOM 0 HG3 LYS A 58 2.860 -10.103 -16.404 1.00 2.41 H new ATOM 0 HD2 LYS A 58 1.793 -12.157 -15.706 1.00 2.31 H new ATOM 0 HD3 LYS A 58 2.997 -11.738 -14.504 1.00 2.31 H new ATOM 0 HE2 LYS A 58 1.008 -12.514 -13.356 1.00 3.15 H new ATOM 0 HE3 LYS A 58 1.185 -10.799 -13.044 1.00 3.15 H new ATOM 0 HZ1 LYS A 58 -1.088 -11.460 -13.618 1.00 4.76 H new ATOM 0 HZ2 LYS A 58 -0.456 -10.310 -14.695 1.00 4.76 H new ATOM 0 HZ3 LYS A 58 -0.557 -11.941 -15.157 1.00 4.76 H new ATOM 1110 N GLU A 59 2.615 -5.706 -15.923 1.00 1.07 N ATOM 1111 CA GLU A 59 1.871 -4.736 -16.718 1.00 1.24 C ATOM 1112 C GLU A 59 2.616 -3.394 -16.753 1.00 1.36 C ATOM 1113 O GLU A 59 2.082 -2.372 -16.333 1.00 2.27 O ATOM 1114 CB GLU A 59 0.453 -4.555 -16.151 1.00 1.91 C ATOM 1115 CG GLU A 59 -0.395 -5.830 -16.232 1.00 2.72 C ATOM 1116 CD GLU A 59 -1.869 -5.527 -15.997 1.00 3.41 C ATOM 1117 OE1 GLU A 59 -2.185 -5.048 -14.886 1.00 3.91 O ATOM 1118 OE2 GLU A 59 -2.667 -5.819 -16.911 1.00 4.24 O ATOM 0 H GLU A 59 3.054 -5.283 -15.105 1.00 1.07 H new ATOM 0 HA GLU A 59 1.787 -5.110 -17.738 1.00 1.24 H new ATOM 0 HB2 GLU A 59 0.522 -4.237 -15.111 1.00 1.91 H new ATOM 0 HB3 GLU A 59 -0.050 -3.756 -16.695 1.00 1.91 H new ATOM 0 HG2 GLU A 59 -0.268 -6.293 -17.211 1.00 2.72 H new ATOM 0 HG3 GLU A 59 -0.046 -6.550 -15.491 1.00 2.72 H new ATOM 1125 N ASN A 60 3.840 -3.409 -17.291 1.00 1.68 N ATOM 1126 CA ASN A 60 4.741 -2.308 -17.601 1.00 2.49 C ATOM 1127 C ASN A 60 5.658 -2.000 -16.412 1.00 3.50 C ATOM 1128 O ASN A 60 5.220 -1.851 -15.275 1.00 4.15 O ATOM 1129 CB ASN A 60 4.050 -1.070 -18.209 1.00 2.97 C ATOM 1130 CG ASN A 60 4.089 0.119 -17.258 1.00 2.71 C ATOM 1131 OD1 ASN A 60 4.775 1.105 -17.503 1.00 3.74 O ATOM 1132 ND2 ASN A 60 3.438 -0.020 -16.115 1.00 2.20 N ATOM 0 H ASN A 60 4.266 -4.300 -17.547 1.00 1.68 H new ATOM 0 HA ASN A 60 5.382 -2.647 -18.415 1.00 2.49 H new ATOM 0 HB2 ASN A 60 4.539 -0.803 -19.146 1.00 2.97 H new ATOM 0 HB3 ASN A 60 3.014 -1.312 -18.448 1.00 2.97 H new ATOM 0 HD21 ASN A 60 3.497 0.707 -15.403 1.00 2.20 H new ATOM 0 HD22 ASN A 60 2.877 -0.855 -15.946 1.00 2.20 H new ATOM 1139 N LYS A 61 6.961 -1.939 -16.665 1.00 4.58 N ATOM 1140 CA LYS A 61 7.940 -1.721 -15.636 1.00 6.14 C ATOM 1141 C LYS A 61 9.128 -0.968 -16.229 1.00 7.11 C ATOM 1142 O LYS A 61 10.245 -1.477 -16.268 1.00 7.69 O ATOM 1143 CB LYS A 61 8.269 -3.069 -14.985 1.00 6.58 C ATOM 1144 CG LYS A 61 8.105 -4.344 -15.838 1.00 6.92 C ATOM 1145 CD LYS A 61 9.078 -4.447 -17.026 1.00 7.38 C ATOM 1146 CE LYS A 61 10.452 -5.009 -16.632 1.00 8.84 C ATOM 1147 NZ LYS A 61 10.411 -6.470 -16.399 1.00 9.54 N ATOM 0 H LYS A 61 7.358 -2.041 -17.599 1.00 4.58 H new ATOM 0 HA LYS A 61 7.571 -1.085 -14.832 1.00 6.14 H new ATOM 0 HB2 LYS A 61 9.302 -3.029 -14.639 1.00 6.58 H new ATOM 0 HB3 LYS A 61 7.640 -3.175 -14.101 1.00 6.58 H new ATOM 0 HG2 LYS A 61 8.241 -5.215 -15.197 1.00 6.92 H new ATOM 0 HG3 LYS A 61 7.084 -4.384 -16.217 1.00 6.92 H new ATOM 0 HD2 LYS A 61 8.638 -5.083 -17.794 1.00 7.38 H new ATOM 0 HD3 LYS A 61 9.209 -3.459 -17.467 1.00 7.38 H new ATOM 0 HE2 LYS A 61 11.173 -4.788 -17.419 1.00 8.84 H new ATOM 0 HE3 LYS A 61 10.803 -4.508 -15.730 1.00 8.84 H new ATOM 0 HZ1 LYS A 61 11.369 -6.814 -16.185 1.00 9.54 H new ATOM 0 HZ2 LYS A 61 9.782 -6.676 -15.597 1.00 9.54 H new ATOM 0 HZ3 LYS A 61 10.053 -6.947 -17.251 1.00 9.54 H new ATOM 1161 N THR A 62 8.861 0.262 -16.675 1.00 7.81 N ATOM 1162 CA THR A 62 9.867 1.200 -17.140 1.00 9.37 C ATOM 1163 C THR A 62 10.668 1.703 -15.930 1.00 10.91 C ATOM 1164 O THR A 62 11.709 1.131 -15.619 1.00 11.33 O ATOM 1165 CB THR A 62 9.176 2.315 -17.960 1.00 9.99 C ATOM 1166 OG1 THR A 62 7.789 2.054 -18.065 1.00 9.47 O ATOM 1167 CG2 THR A 62 9.777 2.434 -19.360 1.00 10.40 C ATOM 0 H THR A 62 7.913 0.636 -16.721 1.00 7.81 H new ATOM 0 HA THR A 62 10.586 0.732 -17.812 1.00 9.37 H new ATOM 0 HB THR A 62 9.336 3.257 -17.436 1.00 9.99 H new ATOM 0 HG1 THR A 62 7.361 2.766 -18.584 1.00 9.47 H new ATOM 0 HG21 THR A 62 9.268 3.227 -19.908 1.00 10.40 H new ATOM 0 HG22 THR A 62 10.838 2.671 -19.282 1.00 10.40 H new ATOM 0 HG23 THR A 62 9.654 1.490 -19.890 1.00 10.40 H new ATOM 1175 N LYS A 63 10.164 2.717 -15.217 1.00 11.99 N ATOM 1176 CA LYS A 63 10.841 3.395 -14.116 1.00 13.73 C ATOM 1177 C LYS A 63 12.103 4.139 -14.595 1.00 14.72 C ATOM 1178 O LYS A 63 12.990 3.565 -15.225 1.00 14.96 O ATOM 1179 CB LYS A 63 11.033 2.447 -12.909 1.00 14.15 C ATOM 1180 CG LYS A 63 12.475 1.995 -12.629 1.00 14.75 C ATOM 1181 CD LYS A 63 12.506 0.972 -11.478 1.00 14.99 C ATOM 1182 CE LYS A 63 12.791 -0.453 -11.979 1.00 14.29 C ATOM 1183 NZ LYS A 63 14.214 -0.644 -12.334 1.00 15.18 N ATOM 0 H LYS A 63 9.237 3.099 -15.402 1.00 11.99 H new ATOM 0 HA LYS A 63 10.200 4.190 -13.735 1.00 13.73 H new ATOM 0 HB2 LYS A 63 10.650 2.944 -12.018 1.00 14.15 H new ATOM 0 HB3 LYS A 63 10.420 1.560 -13.068 1.00 14.15 H new ATOM 0 HG2 LYS A 63 12.905 1.553 -13.528 1.00 14.75 H new ATOM 0 HG3 LYS A 63 13.090 2.858 -12.373 1.00 14.75 H new ATOM 0 HD2 LYS A 63 13.270 1.262 -10.756 1.00 14.99 H new ATOM 0 HD3 LYS A 63 11.550 0.987 -10.954 1.00 14.99 H new ATOM 0 HE2 LYS A 63 12.511 -1.171 -11.208 1.00 14.29 H new ATOM 0 HE3 LYS A 63 12.169 -0.662 -12.850 1.00 14.29 H new ATOM 0 HZ1 LYS A 63 14.361 -1.618 -12.667 1.00 15.18 H new ATOM 0 HZ2 LYS A 63 14.476 0.023 -13.088 1.00 15.18 H new ATOM 0 HZ3 LYS A 63 14.807 -0.471 -11.497 1.00 15.18 H new ATOM 1197 N GLY A 64 12.195 5.440 -14.312 1.00 15.64 N ATOM 1198 CA GLY A 64 13.345 6.249 -14.699 1.00 16.80 C ATOM 1199 C GLY A 64 13.291 6.632 -16.178 1.00 16.71 C ATOM 1200 O GLY A 64 13.118 7.805 -16.491 1.00 17.29 O ATOM 0 H GLY A 64 11.475 5.958 -13.809 1.00 15.64 H new ATOM 0 HA2 GLY A 64 13.377 7.152 -14.090 1.00 16.80 H new ATOM 0 HA3 GLY A 64 14.263 5.697 -14.499 1.00 16.80 H new ATOM 1204 N GLU A 65 13.429 5.643 -17.067 1.00 16.31 N ATOM 1205 CA GLU A 65 13.378 5.810 -18.521 1.00 16.71 C ATOM 1206 C GLU A 65 14.395 6.873 -18.998 1.00 17.90 C ATOM 1207 O GLU A 65 14.016 7.969 -19.402 1.00 18.43 O ATOM 1208 CB GLU A 65 11.915 6.088 -18.927 1.00 16.69 C ATOM 1209 CG GLU A 65 11.520 5.542 -20.311 1.00 16.87 C ATOM 1210 CD GLU A 65 11.454 6.607 -21.398 1.00 18.05 C ATOM 1211 OE1 GLU A 65 10.790 7.636 -21.145 1.00 18.54 O ATOM 1212 OE2 GLU A 65 12.006 6.330 -22.481 1.00 18.68 O ATOM 0 H GLU A 65 13.584 4.675 -16.785 1.00 16.31 H new ATOM 0 HA GLU A 65 13.687 4.898 -19.031 1.00 16.71 H new ATOM 0 HB2 GLU A 65 11.255 5.653 -18.177 1.00 16.69 H new ATOM 0 HB3 GLU A 65 11.746 7.165 -18.914 1.00 16.69 H new ATOM 0 HG2 GLU A 65 12.238 4.778 -20.608 1.00 16.87 H new ATOM 0 HG3 GLU A 65 10.548 5.054 -20.235 1.00 16.87 H new ATOM 1219 N PRO A 66 15.706 6.582 -18.914 1.00 18.59 N ATOM 1220 CA PRO A 66 16.750 7.587 -19.082 1.00 19.96 C ATOM 1221 C PRO A 66 17.145 7.869 -20.538 1.00 20.87 C ATOM 1222 O PRO A 66 17.766 8.899 -20.789 1.00 22.00 O ATOM 1223 CB PRO A 66 17.955 7.035 -18.315 1.00 20.58 C ATOM 1224 CG PRO A 66 17.791 5.522 -18.458 1.00 19.81 C ATOM 1225 CD PRO A 66 16.274 5.336 -18.417 1.00 18.42 C ATOM 0 HA PRO A 66 16.386 8.546 -18.713 1.00 19.96 H new ATOM 0 HB2 PRO A 66 18.897 7.381 -18.741 1.00 20.58 H new ATOM 0 HB3 PRO A 66 17.945 7.345 -17.270 1.00 20.58 H new ATOM 0 HG2 PRO A 66 18.218 5.156 -19.392 1.00 19.81 H new ATOM 0 HG3 PRO A 66 18.286 4.984 -17.649 1.00 19.81 H new ATOM 0 HD2 PRO A 66 15.967 4.493 -19.035 1.00 18.42 H new ATOM 0 HD3 PRO A 66 15.933 5.128 -17.403 1.00 18.42 H new ATOM 1233 N GLY A 67 16.891 6.934 -21.461 1.00 20.67 N ATOM 1234 CA GLY A 67 17.429 6.976 -22.817 1.00 21.88 C ATOM 1235 C GLY A 67 16.416 7.531 -23.817 1.00 22.25 C ATOM 1236 O GLY A 67 15.873 6.724 -24.569 1.00 22.26 O ATOM 0 H GLY A 67 16.301 6.122 -21.282 1.00 20.67 H new ATOM 0 HA2 GLY A 67 18.328 7.592 -22.832 1.00 21.88 H new ATOM 0 HA3 GLY A 67 17.726 5.972 -23.121 1.00 21.88 H new TER 1240 GLY A 67