USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 153:sc= 1.27 (180deg=0.696) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 173:sc= 1.18 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.311 USER MOD Single : A 11 GLN : amide:sc= -0.0428 K(o=-0.043,f=-9.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 70:sc= 0.699 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0.123 (180deg=0.118) USER MOD Single : A 28 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.0013) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 78:sc= 0.888 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -5.684 6.110 4.423 1.00 0.00 N ATOM 2 CA SER A 1 -5.189 7.485 4.696 1.00 0.00 C ATOM 3 C SER A 1 -4.191 7.933 3.633 1.00 0.00 C ATOM 4 O SER A 1 -3.835 7.165 2.738 1.00 0.00 O ATOM 5 CB SER A 1 -4.531 7.501 6.077 1.00 0.00 C ATOM 6 OG SER A 1 -5.506 7.548 7.106 1.00 0.00 O ATOM 0 H1 SER A 1 -5.966 5.659 5.317 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.504 6.156 3.784 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.929 5.551 3.977 1.00 0.00 H new ATOM 0 HA SER A 1 -6.029 8.179 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.912 6.612 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.870 8.364 6.158 1.00 0.00 H new ATOM 0 HG SER A 1 -5.060 7.556 7.979 1.00 0.00 H new ATOM 14 N ALA A 2 -3.744 9.179 3.737 1.00 0.00 N ATOM 15 CA ALA A 2 -2.785 9.731 2.785 1.00 0.00 C ATOM 16 C ALA A 2 -1.349 9.580 3.283 1.00 0.00 C ATOM 17 O ALA A 2 -0.400 9.889 2.563 1.00 0.00 O ATOM 18 CB ALA A 2 -3.099 11.194 2.513 1.00 0.00 C ATOM 0 H ALA A 2 -4.030 9.827 4.471 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.874 9.168 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.377 11.595 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.103 11.280 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.042 11.758 3.444 1.00 0.00 H new ATOM 24 N ASP A 3 -1.193 9.105 4.517 1.00 0.00 N ATOM 25 CA ASP A 3 0.131 8.918 5.102 1.00 0.00 C ATOM 26 C ASP A 3 0.913 7.824 4.374 1.00 0.00 C ATOM 27 O ASP A 3 2.125 7.700 4.547 1.00 0.00 O ATOM 28 CB ASP A 3 0.009 8.571 6.587 1.00 0.00 C ATOM 29 CG ASP A 3 0.955 9.384 7.450 1.00 0.00 C ATOM 30 OD1 ASP A 3 2.127 9.550 7.052 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.523 9.854 8.523 1.00 0.00 O ATOM 0 H ASP A 3 -1.966 8.843 5.129 1.00 0.00 H new ATOM 0 HA ASP A 3 0.678 9.855 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.016 8.743 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.214 7.510 6.728 1.00 0.00 H new ATOM 36 N TYR A 4 0.215 7.031 3.563 1.00 0.00 N ATOM 37 CA TYR A 4 0.851 5.950 2.816 1.00 0.00 C ATOM 38 C TYR A 4 2.015 6.471 1.978 1.00 0.00 C ATOM 39 O TYR A 4 3.113 5.915 2.010 1.00 0.00 O ATOM 40 CB TYR A 4 -0.170 5.259 1.911 1.00 0.00 C ATOM 41 CG TYR A 4 -1.284 4.571 2.667 1.00 0.00 C ATOM 42 CD1 TYR A 4 -1.008 3.743 3.747 1.00 0.00 C ATOM 43 CD2 TYR A 4 -2.612 4.751 2.301 1.00 0.00 C ATOM 44 CE1 TYR A 4 -2.024 3.112 4.441 1.00 0.00 C ATOM 45 CE2 TYR A 4 -3.633 4.125 2.989 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.334 3.306 4.058 1.00 0.00 C ATOM 47 OH TYR A 4 -4.348 2.682 4.746 1.00 0.00 O ATOM 0 H TYR A 4 -0.789 7.117 3.407 1.00 0.00 H new ATOM 0 HA TYR A 4 1.240 5.230 3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.603 5.997 1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.345 4.524 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 4 0.017 3.589 4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.850 5.391 1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.793 2.471 5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.660 4.276 2.692 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.213 3.009 4.421 1.00 0.00 H new ATOM 57 N SER A 5 1.768 7.541 1.230 1.00 0.00 N ATOM 58 CA SER A 5 2.796 8.137 0.384 1.00 0.00 C ATOM 59 C SER A 5 3.988 8.604 1.216 1.00 0.00 C ATOM 60 O SER A 5 5.109 8.690 0.716 1.00 0.00 O ATOM 61 CB SER A 5 2.217 9.313 -0.404 1.00 0.00 C ATOM 62 OG SER A 5 2.746 9.358 -1.717 1.00 0.00 O ATOM 0 H SER A 5 0.865 8.013 1.192 1.00 0.00 H new ATOM 0 HA SER A 5 3.142 7.375 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.131 9.225 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.440 10.246 0.113 1.00 0.00 H new ATOM 0 HG SER A 5 2.358 10.118 -2.200 1.00 0.00 H new ATOM 68 N SER A 6 3.737 8.908 2.486 1.00 0.00 N ATOM 69 CA SER A 6 4.791 9.369 3.384 1.00 0.00 C ATOM 70 C SER A 6 5.652 8.205 3.871 1.00 0.00 C ATOM 71 O SER A 6 6.788 8.405 4.305 1.00 0.00 O ATOM 72 CB SER A 6 4.183 10.102 4.580 1.00 0.00 C ATOM 73 OG SER A 6 3.065 10.879 4.188 1.00 0.00 O ATOM 0 H SER A 6 2.814 8.844 2.916 1.00 0.00 H new ATOM 0 HA SER A 6 5.429 10.055 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.880 9.379 5.337 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.935 10.746 5.036 1.00 0.00 H new ATOM 0 HG SER A 6 2.694 11.336 4.971 1.00 0.00 H new ATOM 79 N LEU A 7 5.110 6.993 3.800 1.00 0.00 N ATOM 80 CA LEU A 7 5.838 5.807 4.239 1.00 0.00 C ATOM 81 C LEU A 7 6.839 5.358 3.179 1.00 0.00 C ATOM 82 O LEU A 7 6.658 5.617 1.989 1.00 0.00 O ATOM 83 CB LEU A 7 4.870 4.663 4.552 1.00 0.00 C ATOM 84 CG LEU A 7 3.517 5.091 5.126 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.687 3.874 5.499 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.713 5.995 6.335 1.00 0.00 C ATOM 0 H LEU A 7 4.173 6.806 3.444 1.00 0.00 H new ATOM 0 HA LEU A 7 6.383 6.069 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.695 4.096 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.349 3.987 5.260 1.00 0.00 H new ATOM 0 HG LEU A 7 2.980 5.651 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.729 4.198 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.517 3.263 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.219 3.287 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.741 6.290 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.270 5.459 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.269 6.884 6.038 1.00 0.00 H new ATOM 98 N THR A 8 7.891 4.679 3.621 1.00 0.00 N ATOM 99 CA THR A 8 8.921 4.187 2.715 1.00 0.00 C ATOM 100 C THR A 8 8.414 2.987 1.925 1.00 0.00 C ATOM 101 O THR A 8 7.345 2.449 2.216 1.00 0.00 O ATOM 102 CB THR A 8 10.172 3.790 3.500 1.00 0.00 C ATOM 103 OG1 THR A 8 9.994 2.525 4.117 1.00 0.00 O ATOM 104 CG2 THR A 8 10.543 4.782 4.582 1.00 0.00 C ATOM 0 H THR A 8 8.053 4.456 4.603 1.00 0.00 H new ATOM 0 HA THR A 8 9.171 4.988 2.019 1.00 0.00 H new ATOM 0 HB THR A 8 10.978 3.763 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.805 2.286 4.613 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.439 4.438 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.735 5.756 4.132 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.723 4.867 5.295 1.00 0.00 H new ATOM 112 N VAL A 9 9.190 2.561 0.935 1.00 0.00 N ATOM 113 CA VAL A 9 8.816 1.414 0.120 1.00 0.00 C ATOM 114 C VAL A 9 8.684 0.170 0.989 1.00 0.00 C ATOM 115 O VAL A 9 7.752 -0.618 0.828 1.00 0.00 O ATOM 116 CB VAL A 9 9.844 1.148 -0.994 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.345 0.063 -1.935 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.145 2.429 -1.758 1.00 0.00 C ATOM 0 H VAL A 9 10.079 2.991 0.679 1.00 0.00 H new ATOM 0 HA VAL A 9 7.857 1.645 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 9 10.769 0.799 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.086 -0.111 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.185 -0.859 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.406 0.379 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.874 2.222 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.227 2.809 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.550 3.174 -1.073 1.00 0.00 H new ATOM 128 N VAL A 10 9.618 0.009 1.921 1.00 0.00 N ATOM 129 CA VAL A 10 9.601 -1.128 2.829 1.00 0.00 C ATOM 130 C VAL A 10 8.375 -1.064 3.732 1.00 0.00 C ATOM 131 O VAL A 10 7.725 -2.078 3.986 1.00 0.00 O ATOM 132 CB VAL A 10 10.869 -1.177 3.700 1.00 0.00 C ATOM 133 CG1 VAL A 10 10.911 -2.461 4.513 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.115 -1.042 2.837 1.00 0.00 C ATOM 0 H VAL A 10 10.396 0.653 2.066 1.00 0.00 H new ATOM 0 HA VAL A 10 9.566 -2.031 2.219 1.00 0.00 H new ATOM 0 HB VAL A 10 10.843 -0.337 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.815 -2.477 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.036 -2.510 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.912 -3.318 3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.002 -1.079 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.149 -1.859 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.088 -0.091 2.305 1.00 0.00 H new ATOM 144 N GLN A 11 8.061 0.139 4.205 1.00 0.00 N ATOM 145 CA GLN A 11 6.905 0.337 5.070 1.00 0.00 C ATOM 146 C GLN A 11 5.622 0.015 4.314 1.00 0.00 C ATOM 147 O GLN A 11 4.751 -0.695 4.818 1.00 0.00 O ATOM 148 CB GLN A 11 6.865 1.776 5.588 1.00 0.00 C ATOM 149 CG GLN A 11 7.517 1.949 6.950 1.00 0.00 C ATOM 150 CD GLN A 11 7.860 3.395 7.253 1.00 0.00 C ATOM 151 OE1 GLN A 11 7.874 4.242 6.359 1.00 0.00 O ATOM 152 NE2 GLN A 11 8.141 3.685 8.517 1.00 0.00 N ATOM 0 H GLN A 11 8.590 0.988 4.004 1.00 0.00 H new ATOM 0 HA GLN A 11 6.990 -0.337 5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.365 2.426 4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.827 2.104 5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.846 1.569 7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.425 1.347 6.993 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.117 2.952 9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.381 4.641 8.780 1.00 0.00 H new ATOM 161 N LEU A 12 5.518 0.537 3.095 1.00 0.00 N ATOM 162 CA LEU A 12 4.348 0.300 2.262 1.00 0.00 C ATOM 163 C LEU A 12 4.189 -1.191 1.980 1.00 0.00 C ATOM 164 O LEU A 12 3.082 -1.728 2.021 1.00 0.00 O ATOM 165 CB LEU A 12 4.471 1.070 0.946 1.00 0.00 C ATOM 166 CG LEU A 12 3.907 2.491 0.973 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.350 3.265 -0.257 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.388 2.457 1.066 1.00 0.00 C ATOM 0 H LEU A 12 6.231 1.126 2.664 1.00 0.00 H new ATOM 0 HA LEU A 12 3.466 0.652 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.524 1.118 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.960 0.507 0.164 1.00 0.00 H new ATOM 0 HG LEU A 12 4.295 3.000 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.939 4.274 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.438 3.318 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.991 2.760 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.002 3.476 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.982 1.931 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.091 1.940 1.978 1.00 0.00 H new ATOM 180 N LYS A 13 5.306 -1.851 1.697 1.00 0.00 N ATOM 181 CA LYS A 13 5.299 -3.281 1.413 1.00 0.00 C ATOM 182 C LYS A 13 4.809 -4.067 2.625 1.00 0.00 C ATOM 183 O LYS A 13 4.098 -5.062 2.486 1.00 0.00 O ATOM 184 CB LYS A 13 6.700 -3.749 1.011 1.00 0.00 C ATOM 185 CG LYS A 13 6.747 -4.432 -0.346 1.00 0.00 C ATOM 186 CD LYS A 13 8.153 -4.901 -0.686 1.00 0.00 C ATOM 187 CE LYS A 13 8.494 -4.638 -2.145 1.00 0.00 C ATOM 188 NZ LYS A 13 8.831 -5.893 -2.871 1.00 0.00 N ATOM 0 H LYS A 13 6.229 -1.418 1.658 1.00 0.00 H new ATOM 0 HA LYS A 13 4.616 -3.463 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.372 -2.890 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.075 -4.437 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.067 -5.284 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.397 -3.742 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.872 -4.390 -0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.242 -5.967 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.649 -4.152 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.336 -3.948 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.057 -5.671 -3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.653 -6.344 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.019 -6.542 -2.838 1.00 0.00 H new ATOM 202 N ASP A 14 5.191 -3.609 3.813 1.00 0.00 N ATOM 203 CA ASP A 14 4.785 -4.265 5.049 1.00 0.00 C ATOM 204 C ASP A 14 3.277 -4.161 5.237 1.00 0.00 C ATOM 205 O ASP A 14 2.614 -5.135 5.595 1.00 0.00 O ATOM 206 CB ASP A 14 5.506 -3.642 6.246 1.00 0.00 C ATOM 207 CG ASP A 14 6.967 -4.044 6.312 1.00 0.00 C ATOM 208 OD1 ASP A 14 7.820 -3.151 6.506 1.00 0.00 O ATOM 209 OD2 ASP A 14 7.258 -5.250 6.173 1.00 0.00 O ATOM 0 H ASP A 14 5.780 -2.787 3.945 1.00 0.00 H new ATOM 0 HA ASP A 14 5.058 -5.318 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.433 -2.556 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.006 -3.945 7.166 1.00 0.00 H new ATOM 214 N LEU A 15 2.740 -2.971 4.986 1.00 0.00 N ATOM 215 CA LEU A 15 1.309 -2.738 5.120 1.00 0.00 C ATOM 216 C LEU A 15 0.530 -3.621 4.153 1.00 0.00 C ATOM 217 O LEU A 15 -0.522 -4.160 4.495 1.00 0.00 O ATOM 218 CB LEU A 15 0.985 -1.265 4.862 1.00 0.00 C ATOM 219 CG LEU A 15 1.040 -0.364 6.096 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.858 1.093 5.701 1.00 0.00 C ATOM 221 CD2 LEU A 15 -0.018 -0.781 7.108 1.00 0.00 C ATOM 0 H LEU A 15 3.275 -2.155 4.689 1.00 0.00 H new ATOM 0 HA LEU A 15 1.014 -2.992 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.683 -0.880 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.012 -1.199 4.427 1.00 0.00 H new ATOM 0 HG LEU A 15 2.020 -0.473 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.900 1.719 6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.652 1.386 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.109 1.220 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.036 -0.129 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.006 -0.701 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.158 -1.812 7.415 1.00 0.00 H new ATOM 233 N LEU A 16 1.063 -3.772 2.945 1.00 0.00 N ATOM 234 CA LEU A 16 0.429 -4.594 1.928 1.00 0.00 C ATOM 235 C LEU A 16 0.369 -6.048 2.380 1.00 0.00 C ATOM 236 O LEU A 16 -0.663 -6.706 2.254 1.00 0.00 O ATOM 237 CB LEU A 16 1.200 -4.483 0.613 1.00 0.00 C ATOM 238 CG LEU A 16 1.099 -3.126 -0.084 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.118 -3.028 -1.210 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.308 -2.903 -0.617 1.00 0.00 C ATOM 0 H LEU A 16 1.935 -3.333 2.649 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.589 -4.237 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.251 -4.698 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.838 -5.252 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 16 1.317 -2.347 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.032 -2.056 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.123 -3.143 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.930 -3.815 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.361 -1.932 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.554 -3.687 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.019 -2.930 0.209 1.00 0.00 H new ATOM 252 N THR A 17 1.479 -6.543 2.919 1.00 0.00 N ATOM 253 CA THR A 17 1.540 -7.919 3.398 1.00 0.00 C ATOM 254 C THR A 17 0.486 -8.149 4.472 1.00 0.00 C ATOM 255 O THR A 17 -0.217 -9.159 4.463 1.00 0.00 O ATOM 256 CB THR A 17 2.932 -8.231 3.949 1.00 0.00 C ATOM 257 OG1 THR A 17 3.598 -7.041 4.335 1.00 0.00 O ATOM 258 CG2 THR A 17 3.820 -8.953 2.959 1.00 0.00 C ATOM 0 H THR A 17 2.344 -6.015 3.035 1.00 0.00 H new ATOM 0 HA THR A 17 1.340 -8.587 2.561 1.00 0.00 H new ATOM 0 HB THR A 17 2.763 -8.884 4.805 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.172 -6.673 5.137 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.792 -9.144 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.358 -9.900 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.950 -8.336 2.070 1.00 0.00 H new ATOM 266 N LYS A 18 0.374 -7.194 5.387 1.00 0.00 N ATOM 267 CA LYS A 18 -0.603 -7.278 6.464 1.00 0.00 C ATOM 268 C LYS A 18 -2.021 -7.148 5.917 1.00 0.00 C ATOM 269 O LYS A 18 -2.974 -7.664 6.501 1.00 0.00 O ATOM 270 CB LYS A 18 -0.342 -6.187 7.504 1.00 0.00 C ATOM 271 CG LYS A 18 -1.293 -6.237 8.690 1.00 0.00 C ATOM 272 CD LYS A 18 -0.585 -6.693 9.956 1.00 0.00 C ATOM 273 CE LYS A 18 -1.431 -6.430 11.192 1.00 0.00 C ATOM 274 NZ LYS A 18 -0.898 -7.134 12.391 1.00 0.00 N ATOM 0 H LYS A 18 0.949 -6.352 5.404 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.503 -8.253 6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.682 -6.279 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.424 -5.212 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.727 -5.250 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.117 -6.916 8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.362 -7.758 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.368 -6.173 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.466 -5.358 11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.455 -6.754 11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.503 -6.929 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.888 -8.159 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.070 -6.807 12.584 1.00 0.00 H new ATOM 288 N ARG A 19 -2.156 -6.450 4.791 1.00 0.00 N ATOM 289 CA ARG A 19 -3.459 -6.248 4.166 1.00 0.00 C ATOM 290 C ARG A 19 -3.746 -7.315 3.106 1.00 0.00 C ATOM 291 O ARG A 19 -4.838 -7.354 2.538 1.00 0.00 O ATOM 292 CB ARG A 19 -3.527 -4.853 3.540 1.00 0.00 C ATOM 293 CG ARG A 19 -4.371 -3.870 4.336 1.00 0.00 C ATOM 294 CD ARG A 19 -3.530 -3.102 5.343 1.00 0.00 C ATOM 295 NE ARG A 19 -4.047 -1.755 5.573 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.104 -1.487 6.337 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.757 -2.469 6.946 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.508 -0.235 6.493 1.00 0.00 N ATOM 0 H ARG A 19 -1.379 -6.015 4.294 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.220 -6.336 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.516 -4.457 3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.934 -4.935 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.855 -3.170 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.163 -4.408 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.506 -3.647 6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.502 -3.040 4.985 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.570 -0.974 5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.450 -3.435 6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.566 -2.258 7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.009 0.524 6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.318 -0.030 7.078 1.00 0.00 H new ATOM 312 N ASN A 20 -2.768 -8.182 2.847 1.00 0.00 N ATOM 313 CA ASN A 20 -2.925 -9.249 1.862 1.00 0.00 C ATOM 314 C ASN A 20 -3.047 -8.684 0.447 1.00 0.00 C ATOM 315 O ASN A 20 -3.890 -9.120 -0.337 1.00 0.00 O ATOM 316 CB ASN A 20 -4.148 -10.109 2.197 1.00 0.00 C ATOM 317 CG ASN A 20 -3.770 -11.405 2.887 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.823 -11.508 4.112 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.386 -12.404 2.100 1.00 0.00 N ATOM 0 H ASN A 20 -1.858 -8.166 3.307 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.032 -9.873 1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.823 -9.542 2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.693 -10.334 1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.120 -13.301 2.507 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.357 -12.274 1.089 1.00 0.00 H new ATOM 326 N LEU A 21 -2.198 -7.713 0.125 1.00 0.00 N ATOM 327 CA LEU A 21 -2.211 -7.095 -1.197 1.00 0.00 C ATOM 328 C LEU A 21 -0.921 -7.400 -1.953 1.00 0.00 C ATOM 329 O LEU A 21 0.114 -7.677 -1.348 1.00 0.00 O ATOM 330 CB LEU A 21 -2.397 -5.581 -1.077 1.00 0.00 C ATOM 331 CG LEU A 21 -3.371 -5.134 0.014 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.498 -3.619 0.029 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.731 -5.785 -0.188 1.00 0.00 C ATOM 0 H LEU A 21 -1.493 -7.337 0.760 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.048 -7.513 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.426 -5.125 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.746 -5.196 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.978 -5.453 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.195 -3.320 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.522 -3.174 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.868 -3.275 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.412 -5.456 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.131 -5.497 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.625 -6.869 -0.146 1.00 0.00 H new ATOM 345 N SER A 22 -0.992 -7.347 -3.279 1.00 0.00 N ATOM 346 CA SER A 22 0.170 -7.617 -4.118 1.00 0.00 C ATOM 347 C SER A 22 1.293 -6.628 -3.825 1.00 0.00 C ATOM 348 O SER A 22 1.090 -5.414 -3.855 1.00 0.00 O ATOM 349 CB SER A 22 -0.216 -7.546 -5.597 1.00 0.00 C ATOM 350 OG SER A 22 0.459 -8.541 -6.348 1.00 0.00 O ATOM 0 H SER A 22 -1.842 -7.120 -3.796 1.00 0.00 H new ATOM 0 HA SER A 22 0.527 -8.622 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.293 -7.675 -5.702 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.027 -6.560 -5.993 1.00 0.00 H new ATOM 0 HG SER A 22 0.194 -8.476 -7.289 1.00 0.00 H new ATOM 356 N VAL A 23 2.480 -7.155 -3.543 1.00 0.00 N ATOM 357 CA VAL A 23 3.636 -6.319 -3.244 1.00 0.00 C ATOM 358 C VAL A 23 4.626 -6.298 -4.406 1.00 0.00 C ATOM 359 O VAL A 23 5.795 -5.955 -4.230 1.00 0.00 O ATOM 360 CB VAL A 23 4.366 -6.803 -1.976 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.531 -6.518 -0.737 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.691 -8.285 -2.080 1.00 0.00 C ATOM 0 H VAL A 23 2.666 -8.157 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 23 3.256 -5.311 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 23 5.304 -6.255 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.063 -6.867 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.355 -5.445 -0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.576 -7.037 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.206 -8.609 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.768 -8.853 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.332 -8.457 -2.944 1.00 0.00 H new ATOM 372 N GLY A 24 4.155 -6.668 -5.594 1.00 0.00 N ATOM 373 CA GLY A 24 5.018 -6.681 -6.760 1.00 0.00 C ATOM 374 C GLY A 24 4.839 -5.457 -7.639 1.00 0.00 C ATOM 375 O GLY A 24 5.244 -5.456 -8.801 1.00 0.00 O ATOM 0 H GLY A 24 3.193 -6.958 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.057 -6.741 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.814 -7.577 -7.347 1.00 0.00 H new ATOM 379 N GLY A 25 4.231 -4.412 -7.084 1.00 0.00 N ATOM 380 CA GLY A 25 4.014 -3.193 -7.843 1.00 0.00 C ATOM 381 C GLY A 25 4.912 -2.059 -7.390 1.00 0.00 C ATOM 382 O GLY A 25 5.573 -2.157 -6.356 1.00 0.00 O ATOM 0 H GLY A 25 3.886 -4.388 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.190 -3.391 -8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.972 -2.888 -7.745 1.00 0.00 H new ATOM 386 N LEU A 26 4.936 -0.979 -8.165 1.00 0.00 N ATOM 387 CA LEU A 26 5.758 0.180 -7.837 1.00 0.00 C ATOM 388 C LEU A 26 5.235 0.878 -6.585 1.00 0.00 C ATOM 389 O LEU A 26 4.092 0.668 -6.180 1.00 0.00 O ATOM 390 CB LEU A 26 5.784 1.162 -9.009 1.00 0.00 C ATOM 391 CG LEU A 26 6.479 0.646 -10.271 1.00 0.00 C ATOM 392 CD1 LEU A 26 5.768 1.149 -11.518 1.00 0.00 C ATOM 393 CD2 LEU A 26 7.941 1.068 -10.283 1.00 0.00 C ATOM 0 H LEU A 26 4.395 -0.883 -9.025 1.00 0.00 H new ATOM 0 HA LEU A 26 6.773 -0.168 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.758 1.430 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.282 2.076 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 26 6.434 -0.443 -10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.277 0.771 -12.405 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.736 0.798 -11.515 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.780 2.239 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.421 0.693 -11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.006 2.156 -10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.445 0.658 -9.408 1.00 0.00 H new ATOM 405 N LYS A 27 6.079 1.707 -5.975 1.00 0.00 N ATOM 406 CA LYS A 27 5.702 2.436 -4.765 1.00 0.00 C ATOM 407 C LYS A 27 4.341 3.106 -4.928 1.00 0.00 C ATOM 408 O LYS A 27 3.470 2.985 -4.064 1.00 0.00 O ATOM 409 CB LYS A 27 6.763 3.487 -4.430 1.00 0.00 C ATOM 410 CG LYS A 27 6.470 4.262 -3.156 1.00 0.00 C ATOM 411 CD LYS A 27 7.444 5.413 -2.968 1.00 0.00 C ATOM 412 CE LYS A 27 7.087 6.253 -1.753 1.00 0.00 C ATOM 413 NZ LYS A 27 5.931 7.154 -2.020 1.00 0.00 N ATOM 0 H LYS A 27 7.029 1.891 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 27 5.635 1.719 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.731 2.996 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.844 4.188 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.451 4.648 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.528 3.591 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.455 5.021 -2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.443 6.041 -3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.850 5.597 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.951 6.849 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.687 7.672 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.184 7.831 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.114 6.589 -2.327 1.00 0.00 H new ATOM 427 N ASN A 28 4.162 3.807 -6.042 1.00 0.00 N ATOM 428 CA ASN A 28 2.905 4.491 -6.322 1.00 0.00 C ATOM 429 C ASN A 28 1.745 3.502 -6.340 1.00 0.00 C ATOM 430 O ASN A 28 0.626 3.831 -5.942 1.00 0.00 O ATOM 431 CB ASN A 28 2.987 5.227 -7.660 1.00 0.00 C ATOM 432 CG ASN A 28 1.867 6.233 -7.836 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.065 7.436 -7.663 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.681 5.746 -8.183 1.00 0.00 N ATOM 0 H ASN A 28 4.872 3.917 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 28 2.728 5.218 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.946 5.739 -7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.952 4.502 -8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.110 6.376 -8.316 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.561 4.742 -8.316 1.00 0.00 H new ATOM 441 N GLU A 29 2.023 2.287 -6.798 1.00 0.00 N ATOM 442 CA GLU A 29 1.008 1.245 -6.864 1.00 0.00 C ATOM 443 C GLU A 29 0.635 0.781 -5.464 1.00 0.00 C ATOM 444 O GLU A 29 -0.532 0.519 -5.175 1.00 0.00 O ATOM 445 CB GLU A 29 1.511 0.062 -7.695 1.00 0.00 C ATOM 446 CG GLU A 29 0.973 0.046 -9.116 1.00 0.00 C ATOM 447 CD GLU A 29 0.592 -1.347 -9.579 1.00 0.00 C ATOM 448 OE1 GLU A 29 1.479 -2.227 -9.607 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.593 -1.559 -9.915 1.00 0.00 O ATOM 0 H GLU A 29 2.944 2.000 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 29 0.121 1.657 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.600 0.088 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.230 -0.866 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.101 0.697 -9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.725 0.456 -9.790 1.00 0.00 H new ATOM 456 N LEU A 30 1.636 0.692 -4.598 1.00 0.00 N ATOM 457 CA LEU A 30 1.420 0.269 -3.223 1.00 0.00 C ATOM 458 C LEU A 30 0.494 1.243 -2.504 1.00 0.00 C ATOM 459 O LEU A 30 -0.469 0.838 -1.852 1.00 0.00 O ATOM 460 CB LEU A 30 2.754 0.172 -2.479 1.00 0.00 C ATOM 461 CG LEU A 30 3.920 -0.396 -3.293 1.00 0.00 C ATOM 462 CD1 LEU A 30 5.108 -0.684 -2.389 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.497 -1.656 -4.039 1.00 0.00 C ATOM 0 H LEU A 30 2.607 0.908 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 30 0.951 -0.715 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.028 1.167 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.613 -0.450 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 30 4.218 0.350 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.928 -1.087 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.429 0.239 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.819 -1.410 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.342 -2.041 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.169 -2.410 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.678 -1.419 -4.718 1.00 0.00 H new ATOM 475 N VAL A 31 0.788 2.533 -2.637 1.00 0.00 N ATOM 476 CA VAL A 31 -0.022 3.566 -2.006 1.00 0.00 C ATOM 477 C VAL A 31 -1.449 3.529 -2.535 1.00 0.00 C ATOM 478 O VAL A 31 -2.410 3.574 -1.766 1.00 0.00 O ATOM 479 CB VAL A 31 0.569 4.970 -2.243 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.210 6.018 -1.462 1.00 0.00 C ATOM 481 CG2 VAL A 31 2.044 5.000 -1.866 1.00 0.00 C ATOM 0 H VAL A 31 1.579 2.886 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.024 3.363 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 31 0.484 5.205 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.222 7.002 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.251 6.014 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.161 5.790 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.444 5.999 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.156 4.743 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.590 4.280 -2.475 1.00 0.00 H new ATOM 491 N GLN A 32 -1.578 3.442 -3.852 1.00 0.00 N ATOM 492 CA GLN A 32 -2.888 3.392 -4.491 1.00 0.00 C ATOM 493 C GLN A 32 -3.640 2.129 -4.084 1.00 0.00 C ATOM 494 O GLN A 32 -4.863 2.145 -3.943 1.00 0.00 O ATOM 495 CB GLN A 32 -2.740 3.447 -6.012 1.00 0.00 C ATOM 496 CG GLN A 32 -2.348 4.818 -6.536 1.00 0.00 C ATOM 497 CD GLN A 32 -2.911 5.099 -7.915 1.00 0.00 C ATOM 498 OE1 GLN A 32 -3.944 5.756 -8.055 1.00 0.00 O ATOM 499 NE2 GLN A 32 -2.235 4.601 -8.944 1.00 0.00 N ATOM 0 H GLN A 32 -0.791 3.404 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.462 4.258 -4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.989 2.720 -6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.682 3.147 -6.471 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.699 5.582 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.261 4.893 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.384 4.063 -8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.567 4.757 -9.896 1.00 0.00 H new ATOM 508 N ARG A 33 -2.905 1.038 -3.893 1.00 0.00 N ATOM 509 CA ARG A 33 -3.514 -0.226 -3.498 1.00 0.00 C ATOM 510 C ARG A 33 -4.156 -0.098 -2.123 1.00 0.00 C ATOM 511 O ARG A 33 -5.292 -0.525 -1.914 1.00 0.00 O ATOM 512 CB ARG A 33 -2.468 -1.345 -3.485 1.00 0.00 C ATOM 513 CG ARG A 33 -3.008 -2.687 -3.950 1.00 0.00 C ATOM 514 CD ARG A 33 -1.887 -3.628 -4.364 1.00 0.00 C ATOM 515 NE ARG A 33 -2.065 -4.128 -5.725 1.00 0.00 N ATOM 516 CZ ARG A 33 -2.890 -5.122 -6.048 1.00 0.00 C ATOM 517 NH1 ARG A 33 -3.615 -5.723 -5.113 1.00 0.00 N ATOM 518 NH2 ARG A 33 -2.990 -5.516 -7.310 1.00 0.00 N ATOM 0 H ARG A 33 -1.892 1.004 -4.005 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.286 -0.477 -4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.633 -1.058 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.074 -1.452 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.590 -3.143 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.686 -2.536 -4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.932 -3.108 -4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.846 -4.469 -3.672 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.526 -3.690 -6.472 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.542 -5.424 -4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.245 -6.484 -5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.435 -5.058 -8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.622 -6.277 -7.558 1.00 0.00 H new ATOM 532 N LEU A 34 -3.429 0.512 -1.192 1.00 0.00 N ATOM 533 CA LEU A 34 -3.940 0.717 0.156 1.00 0.00 C ATOM 534 C LEU A 34 -5.097 1.707 0.126 1.00 0.00 C ATOM 535 O LEU A 34 -6.066 1.576 0.873 1.00 0.00 O ATOM 536 CB LEU A 34 -2.830 1.234 1.075 1.00 0.00 C ATOM 537 CG LEU A 34 -1.750 0.208 1.427 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.384 0.874 1.498 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.079 -0.481 2.743 1.00 0.00 C ATOM 0 H LEU A 34 -2.487 0.871 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.296 -0.237 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.354 2.091 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.282 1.594 1.999 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.722 -0.547 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.371 0.129 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.146 1.320 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.397 1.650 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.301 -1.207 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.134 0.262 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.038 -0.992 2.656 1.00 0.00 H new ATOM 551 N ILE A 35 -4.982 2.692 -0.757 1.00 0.00 N ATOM 552 CA ILE A 35 -6.007 3.714 -0.916 1.00 0.00 C ATOM 553 C ILE A 35 -7.298 3.106 -1.460 1.00 0.00 C ATOM 554 O ILE A 35 -8.389 3.397 -0.970 1.00 0.00 O ATOM 555 CB ILE A 35 -5.520 4.836 -1.860 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.370 5.608 -1.212 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.656 5.783 -2.222 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.463 6.293 -2.210 1.00 0.00 C ATOM 0 H ILE A 35 -4.181 2.804 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.206 4.142 0.067 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.163 4.373 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.782 6.356 -0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.778 4.921 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.283 6.562 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.448 5.226 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.052 6.240 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.671 6.821 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.022 5.548 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.042 7.005 -2.799 1.00 0.00 H new ATOM 570 N LYS A 36 -7.164 2.258 -2.475 1.00 0.00 N ATOM 571 CA LYS A 36 -8.318 1.608 -3.086 1.00 0.00 C ATOM 572 C LYS A 36 -8.986 0.651 -2.104 1.00 0.00 C ATOM 573 O LYS A 36 -10.204 0.670 -1.935 1.00 0.00 O ATOM 574 CB LYS A 36 -7.895 0.850 -4.346 1.00 0.00 C ATOM 575 CG LYS A 36 -7.552 1.759 -5.516 1.00 0.00 C ATOM 576 CD LYS A 36 -6.426 1.181 -6.357 1.00 0.00 C ATOM 577 CE LYS A 36 -6.854 -0.099 -7.058 1.00 0.00 C ATOM 578 NZ LYS A 36 -6.067 -0.344 -8.298 1.00 0.00 N ATOM 0 H LYS A 36 -6.268 2.005 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.037 2.381 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.030 0.229 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.700 0.177 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.436 1.903 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.262 2.741 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.111 1.915 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.563 0.978 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.733 -0.943 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.914 -0.040 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.390 -1.226 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.203 0.449 -8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.058 -0.426 -8.058 1.00 0.00 H new ATOM 592 N ASP A 37 -8.179 -0.184 -1.459 1.00 0.00 N ATOM 593 CA ASP A 37 -8.691 -1.148 -0.492 1.00 0.00 C ATOM 594 C ASP A 37 -9.379 -0.440 0.670 1.00 0.00 C ATOM 595 O ASP A 37 -10.382 -0.921 1.198 1.00 0.00 O ATOM 596 CB ASP A 37 -7.555 -2.029 0.032 1.00 0.00 C ATOM 597 CG ASP A 37 -8.056 -3.145 0.927 1.00 0.00 C ATOM 598 OD1 ASP A 37 -7.311 -3.550 1.844 1.00 0.00 O ATOM 599 OD2 ASP A 37 -9.193 -3.615 0.712 1.00 0.00 O ATOM 0 H ASP A 37 -7.168 -0.213 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.425 -1.776 -0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.013 -2.458 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.847 -1.413 0.586 1.00 0.00 H new ATOM 604 N ASP A 38 -8.834 0.707 1.064 1.00 0.00 N ATOM 605 CA ASP A 38 -9.394 1.482 2.164 1.00 0.00 C ATOM 606 C ASP A 38 -10.746 2.072 1.777 1.00 0.00 C ATOM 607 O ASP A 38 -11.682 2.085 2.578 1.00 0.00 O ATOM 608 CB ASP A 38 -8.433 2.599 2.571 1.00 0.00 C ATOM 609 CG ASP A 38 -7.478 2.168 3.669 1.00 0.00 C ATOM 610 OD1 ASP A 38 -7.010 3.045 4.425 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.199 0.955 3.770 1.00 0.00 O ATOM 0 H ASP A 38 -8.005 1.120 0.637 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.538 0.813 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.861 2.918 1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.006 3.462 2.909 1.00 0.00 H new ATOM 616 N GLU A 39 -10.839 2.560 0.547 1.00 0.00 N ATOM 617 CA GLU A 39 -12.074 3.154 0.051 1.00 0.00 C ATOM 618 C GLU A 39 -13.164 2.096 -0.097 1.00 0.00 C ATOM 619 O GLU A 39 -14.344 2.373 0.118 1.00 0.00 O ATOM 620 CB GLU A 39 -11.831 3.843 -1.293 1.00 0.00 C ATOM 621 CG GLU A 39 -11.468 5.314 -1.165 1.00 0.00 C ATOM 622 CD GLU A 39 -11.344 6.003 -2.510 1.00 0.00 C ATOM 623 OE1 GLU A 39 -12.141 6.927 -2.780 1.00 0.00 O ATOM 624 OE2 GLU A 39 -10.450 5.619 -3.293 1.00 0.00 O ATOM 0 H GLU A 39 -10.073 2.556 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.407 3.896 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.030 3.324 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.727 3.750 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.227 5.821 -0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.525 5.406 -0.625 1.00 0.00 H new ATOM 631 N GLU A 40 -12.760 0.886 -0.466 1.00 0.00 N ATOM 632 CA GLU A 40 -13.700 -0.214 -0.642 1.00 0.00 C ATOM 633 C GLU A 40 -14.321 -0.620 0.690 1.00 0.00 C ATOM 634 O GLU A 40 -15.509 -0.931 0.765 1.00 0.00 O ATOM 635 CB GLU A 40 -13.001 -1.415 -1.280 1.00 0.00 C ATOM 636 CG GLU A 40 -13.006 -1.387 -2.800 1.00 0.00 C ATOM 637 CD GLU A 40 -11.710 -1.898 -3.397 1.00 0.00 C ATOM 638 OE1 GLU A 40 -11.160 -1.220 -4.291 1.00 0.00 O ATOM 639 OE2 GLU A 40 -11.245 -2.977 -2.971 1.00 0.00 O ATOM 0 H GLU A 40 -11.787 0.642 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.496 0.127 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.970 -1.453 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.487 -2.330 -0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.835 -1.992 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.181 -0.366 -3.140 1.00 0.00 H new ATOM 646 N SER A 41 -13.505 -0.613 1.738 1.00 0.00 N ATOM 647 CA SER A 41 -13.971 -0.980 3.070 1.00 0.00 C ATOM 648 C SER A 41 -14.971 0.042 3.599 1.00 0.00 C ATOM 649 O SER A 41 -15.893 -0.302 4.338 1.00 0.00 O ATOM 650 CB SER A 41 -12.787 -1.097 4.033 1.00 0.00 C ATOM 651 OG SER A 41 -11.674 -1.706 3.401 1.00 0.00 O ATOM 0 H SER A 41 -12.519 -0.358 1.691 1.00 0.00 H new ATOM 0 HA SER A 41 -14.471 -1.946 2.998 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.508 -0.107 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.080 -1.682 4.905 1.00 0.00 H new ATOM 0 HG SER A 41 -11.227 -1.052 2.824 1.00 0.00 H new ATOM 657 N LYS A 42 -14.783 1.300 3.214 1.00 0.00 N ATOM 658 CA LYS A 42 -15.670 2.374 3.649 1.00 0.00 C ATOM 659 C LYS A 42 -17.027 2.281 2.956 1.00 0.00 C ATOM 660 O LYS A 42 -18.020 2.824 3.441 1.00 0.00 O ATOM 661 CB LYS A 42 -15.032 3.735 3.366 1.00 0.00 C ATOM 662 CG LYS A 42 -15.755 4.895 4.032 1.00 0.00 C ATOM 663 CD LYS A 42 -16.377 5.831 3.007 1.00 0.00 C ATOM 664 CE LYS A 42 -16.634 7.210 3.594 1.00 0.00 C ATOM 665 NZ LYS A 42 -18.082 7.440 3.858 1.00 0.00 N ATOM 0 H LYS A 42 -14.025 1.601 2.602 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.826 2.268 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.997 3.720 3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.011 3.901 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.532 4.509 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.055 5.451 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.716 5.919 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.315 5.407 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.074 7.320 4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.265 7.972 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.215 8.391 4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.614 7.361 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.429 6.729 4.533 1.00 0.00 H new ATOM 679 N GLY A 43 -17.066 1.590 1.819 1.00 0.00 N ATOM 680 CA GLY A 43 -18.309 1.444 1.084 1.00 0.00 C ATOM 681 C GLY A 43 -18.575 0.009 0.674 1.00 0.00 C ATOM 682 O GLY A 43 -18.062 -0.925 1.291 1.00 0.00 O ATOM 0 H GLY A 43 -16.260 1.130 1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -19.135 1.802 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -18.277 2.073 0.194 1.00 0.00 H new ATOM 686 N GLU A 44 -19.379 -0.168 -0.369 1.00 0.00 N ATOM 687 CA GLU A 44 -19.713 -1.500 -0.860 1.00 0.00 C ATOM 688 C GLU A 44 -20.001 -1.471 -2.357 1.00 0.00 C ATOM 689 O GLU A 44 -19.507 -2.309 -3.112 1.00 0.00 O ATOM 690 CB GLU A 44 -20.920 -2.058 -0.102 1.00 0.00 C ATOM 691 CG GLU A 44 -20.584 -3.249 0.782 1.00 0.00 C ATOM 692 CD GLU A 44 -21.768 -4.172 0.990 1.00 0.00 C ATOM 693 OE1 GLU A 44 -21.854 -5.196 0.281 1.00 0.00 O ATOM 694 OE2 GLU A 44 -22.609 -3.871 1.863 1.00 0.00 O ATOM 0 H GLU A 44 -19.811 0.594 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 44 -18.855 -2.151 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -21.349 -1.268 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -21.685 -2.353 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.765 -3.810 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.233 -2.891 1.750 1.00 0.00 H new ATOM 701 N SER A 45 -20.804 -0.502 -2.776 1.00 0.00 N ATOM 702 CA SER A 45 -21.162 -0.359 -4.182 1.00 0.00 C ATOM 703 C SER A 45 -20.315 0.719 -4.851 1.00 0.00 C ATOM 704 O SER A 45 -19.717 1.559 -4.179 1.00 0.00 O ATOM 705 CB SER A 45 -22.646 -0.016 -4.319 1.00 0.00 C ATOM 706 OG SER A 45 -23.060 0.877 -3.299 1.00 0.00 O ATOM 0 H SER A 45 -21.221 0.198 -2.162 1.00 0.00 H new ATOM 0 HA SER A 45 -20.969 -1.309 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 45 -22.830 0.432 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 45 -23.239 -0.929 -4.270 1.00 0.00 H new ATOM 0 HG SER A 45 -24.012 1.082 -3.410 1.00 0.00 H new ATOM 712 N GLU A 46 -20.269 0.689 -6.179 1.00 0.00 N ATOM 713 CA GLU A 46 -19.495 1.664 -6.939 1.00 0.00 C ATOM 714 C GLU A 46 -20.375 2.828 -7.384 1.00 0.00 C ATOM 715 O GLU A 46 -20.938 2.811 -8.477 1.00 0.00 O ATOM 716 CB GLU A 46 -18.852 0.997 -8.157 1.00 0.00 C ATOM 717 CG GLU A 46 -17.409 0.578 -7.930 1.00 0.00 C ATOM 718 CD GLU A 46 -16.472 1.099 -9.002 1.00 0.00 C ATOM 719 OE1 GLU A 46 -16.782 0.923 -10.199 1.00 0.00 O ATOM 720 OE2 GLU A 46 -15.429 1.686 -8.645 1.00 0.00 O ATOM 0 H GLU A 46 -20.758 0.001 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.710 2.054 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -19.437 0.120 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.893 1.685 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.079 0.941 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.351 -0.510 -7.901 1.00 0.00 H new ATOM 727 N VAL A 47 -20.488 3.838 -6.527 1.00 0.00 N ATOM 728 CA VAL A 47 -21.298 5.010 -6.831 1.00 0.00 C ATOM 729 C VAL A 47 -20.642 6.283 -6.305 1.00 0.00 C ATOM 730 O VAL A 47 -20.898 6.705 -5.177 1.00 0.00 O ATOM 731 CB VAL A 47 -22.712 4.890 -6.231 1.00 0.00 C ATOM 732 CG1 VAL A 47 -23.548 3.899 -7.026 1.00 0.00 C ATOM 733 CG2 VAL A 47 -22.637 4.480 -4.767 1.00 0.00 C ATOM 0 H VAL A 47 -20.028 3.867 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 47 -21.377 5.065 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.195 5.866 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -24.543 3.828 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -23.630 4.238 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -23.071 2.919 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -23.645 4.400 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.135 3.516 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.078 5.230 -4.207 1.00 0.00 H new ATOM 743 N SER A 48 -19.794 6.888 -7.130 1.00 0.00 N ATOM 744 CA SER A 48 -19.099 8.112 -6.749 1.00 0.00 C ATOM 745 C SER A 48 -19.607 9.303 -7.559 1.00 0.00 C ATOM 746 O SER A 48 -19.081 9.606 -8.629 1.00 0.00 O ATOM 747 CB SER A 48 -17.591 7.951 -6.953 1.00 0.00 C ATOM 748 OG SER A 48 -17.215 6.584 -6.921 1.00 0.00 O ATOM 0 H SER A 48 -19.572 6.551 -8.067 1.00 0.00 H new ATOM 0 HA SER A 48 -19.300 8.300 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.301 8.389 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.055 8.497 -6.176 1.00 0.00 H new ATOM 0 HG SER A 48 -16.247 6.508 -7.055 1.00 0.00 H new ATOM 754 N PRO A 49 -20.645 9.996 -7.057 1.00 0.00 N ATOM 755 CA PRO A 49 -21.222 11.158 -7.742 1.00 0.00 C ATOM 756 C PRO A 49 -20.280 12.357 -7.740 1.00 0.00 C ATOM 757 O PRO A 49 -19.241 12.342 -7.081 1.00 0.00 O ATOM 758 CB PRO A 49 -22.480 11.464 -6.925 1.00 0.00 C ATOM 759 CG PRO A 49 -22.194 10.918 -5.570 1.00 0.00 C ATOM 760 CD PRO A 49 -21.334 9.704 -5.786 1.00 0.00 C ATOM 0 HA PRO A 49 -21.421 10.954 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -22.676 12.536 -6.887 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -23.361 10.994 -7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -21.681 11.655 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -23.117 10.656 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -20.627 9.562 -4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -21.931 8.795 -5.852 1.00 0.00 H new ATOM 768 N GLN A 50 -20.651 13.396 -8.483 1.00 0.00 N ATOM 769 CA GLN A 50 -19.838 14.604 -8.566 1.00 0.00 C ATOM 770 C GLN A 50 -19.926 15.408 -7.274 1.00 0.00 C ATOM 771 O GLN A 50 -18.987 15.314 -6.455 1.00 0.00 O ATOM 772 CB GLN A 50 -20.288 15.464 -9.749 1.00 0.00 C ATOM 773 CG GLN A 50 -19.488 15.220 -11.018 1.00 0.00 C ATOM 774 CD GLN A 50 -20.323 15.375 -12.274 1.00 0.00 C ATOM 775 OE1 GLN A 50 -20.695 16.485 -12.653 1.00 0.00 O ATOM 776 NE2 GLN A 50 -20.625 14.257 -12.926 1.00 0.00 N ATOM 777 OXT GLN A 50 -20.931 16.127 -7.091 1.00 0.00 O ATOM 0 H GLN A 50 -21.508 13.425 -9.035 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.800 14.306 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -21.341 15.268 -9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -20.206 16.516 -9.475 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -18.651 15.917 -11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -19.065 14.216 -10.989 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -20.295 13.357 -12.576 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -21.186 14.298 -13.777 1.00 0.00 H new TER 786 GLN A 50