USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 13:sc= 0.921 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0949 USER MOD Single : A 15 TYR OH : rot -159:sc= 0.98 USER MOD Single : A 16 SER OG : rot -172:sc= 1.29 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 21 ASN : amide:sc= 0.155 X(o=0.15,f=-0.0016) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.018) USER MOD Single : A 29 SER OG : rot 86:sc= 1.2 USER MOD Single : A 30 MET CE :methyl -166:sc= -2.25! (180deg=-2.53) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.066 X(o=-0.066,f=-0.16) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.00171 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0244 USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 11.424 -7.706 -7.984 1.00 0.00 N ATOM 89 CA SER A 7 12.226 -8.528 -7.090 1.00 0.00 C ATOM 90 C SER A 7 11.389 -9.048 -5.923 1.00 0.00 C ATOM 91 O SER A 7 11.202 -10.256 -5.768 1.00 0.00 O ATOM 92 CB SER A 7 13.417 -7.716 -6.566 1.00 0.00 C ATOM 93 OG SER A 7 14.430 -8.563 -6.057 1.00 0.00 O ATOM 0 HA SER A 7 12.594 -9.388 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.823 -7.101 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.081 -7.036 -5.783 1.00 0.00 H new ATOM 0 HG SER A 7 15.178 -8.020 -5.731 1.00 0.00 H new ATOM 99 N ARG A 8 10.863 -8.133 -5.117 1.00 0.00 N ATOM 100 CA ARG A 8 10.179 -8.504 -3.886 1.00 0.00 C ATOM 101 C ARG A 8 8.668 -8.407 -4.021 1.00 0.00 C ATOM 102 O ARG A 8 8.138 -7.922 -5.024 1.00 0.00 O ATOM 103 CB ARG A 8 10.624 -7.600 -2.737 1.00 0.00 C ATOM 104 CG ARG A 8 12.092 -7.725 -2.391 1.00 0.00 C ATOM 105 CD ARG A 8 12.516 -6.658 -1.395 1.00 0.00 C ATOM 106 NE ARG A 8 13.947 -6.704 -1.114 1.00 0.00 N ATOM 107 CZ ARG A 8 14.647 -5.670 -0.650 1.00 0.00 C ATOM 108 NH1 ARG A 8 14.037 -4.519 -0.386 1.00 0.00 N ATOM 109 NH2 ARG A 8 15.949 -5.796 -0.433 1.00 0.00 N ATOM 0 H ARG A 8 10.898 -7.129 -5.295 1.00 0.00 H new ATOM 0 HA ARG A 8 10.445 -9.541 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.410 -6.564 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.031 -7.834 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.287 -8.713 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.691 -7.638 -3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.256 -5.674 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.961 -6.789 -0.466 1.00 0.00 H new ATOM 0 HE ARG A 8 14.441 -7.580 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.033 -4.427 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.573 -3.727 -0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.414 -6.684 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.486 -5.005 -0.078 1.00 0.00 H new ATOM 123 N SER A 9 7.991 -8.865 -2.984 1.00 0.00 N ATOM 124 CA SER A 9 6.553 -8.720 -2.865 1.00 0.00 C ATOM 125 C SER A 9 6.219 -8.335 -1.429 1.00 0.00 C ATOM 126 O SER A 9 6.844 -8.820 -0.484 1.00 0.00 O ATOM 127 CB SER A 9 5.838 -10.018 -3.261 1.00 0.00 C ATOM 128 OG SER A 9 4.438 -9.821 -3.382 1.00 0.00 O ATOM 0 H SER A 9 8.425 -9.350 -2.198 1.00 0.00 H new ATOM 0 HA SER A 9 6.208 -7.939 -3.543 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.239 -10.382 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.036 -10.787 -2.514 1.00 0.00 H new ATOM 0 HG SER A 9 4.242 -8.861 -3.391 1.00 0.00 H new ATOM 134 N TYR A 10 5.262 -7.439 -1.266 1.00 0.00 N ATOM 135 CA TYR A 10 4.922 -6.920 0.048 1.00 0.00 C ATOM 136 C TYR A 10 3.445 -7.144 0.337 1.00 0.00 C ATOM 137 O TYR A 10 2.590 -6.794 -0.478 1.00 0.00 O ATOM 138 CB TYR A 10 5.237 -5.420 0.125 1.00 0.00 C ATOM 139 CG TYR A 10 6.577 -5.044 -0.470 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.760 -5.326 0.196 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.654 -4.420 -1.711 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.983 -4.993 -0.352 1.00 0.00 C ATOM 143 CE2 TYR A 10 7.874 -4.085 -2.265 1.00 0.00 C ATOM 144 CZ TYR A 10 9.035 -4.375 -1.581 1.00 0.00 C ATOM 145 OH TYR A 10 10.254 -4.050 -2.131 1.00 0.00 O ATOM 0 H TYR A 10 4.705 -7.054 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 10 5.517 -7.450 0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.453 -4.867 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.213 -5.107 1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.724 -5.814 1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.746 -4.194 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.895 -5.217 0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.918 -3.599 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 10 10.116 -3.621 -3.001 1.00 0.00 H new ATOM 155 N ARG A 11 3.151 -7.722 1.490 1.00 0.00 N ATOM 156 CA ARG A 11 1.774 -7.950 1.898 1.00 0.00 C ATOM 157 C ARG A 11 1.256 -6.739 2.656 1.00 0.00 C ATOM 158 O ARG A 11 2.014 -6.063 3.358 1.00 0.00 O ATOM 159 CB ARG A 11 1.648 -9.183 2.800 1.00 0.00 C ATOM 160 CG ARG A 11 2.386 -10.415 2.306 1.00 0.00 C ATOM 161 CD ARG A 11 2.090 -11.612 3.195 1.00 0.00 C ATOM 162 NE ARG A 11 2.963 -12.750 2.915 1.00 0.00 N ATOM 163 CZ ARG A 11 2.532 -13.937 2.484 1.00 0.00 C ATOM 164 NH1 ARG A 11 1.248 -14.131 2.229 1.00 0.00 N ATOM 165 NH2 ARG A 11 3.393 -14.932 2.320 1.00 0.00 N ATOM 0 H ARG A 11 3.849 -8.043 2.161 1.00 0.00 H new ATOM 0 HA ARG A 11 1.187 -8.117 0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.020 -8.928 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.592 -9.429 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.090 -10.635 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.459 -10.222 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.203 -11.321 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.051 -11.913 3.058 1.00 0.00 H new ATOM 0 HE ARG A 11 3.966 -12.629 3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.581 -13.371 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.925 -15.041 1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.382 -14.789 2.523 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.066 -15.840 1.991 1.00 0.00 H new ATOM 179 N ILE A 12 -0.022 -6.461 2.512 1.00 0.00 N ATOM 180 CA ILE A 12 -0.652 -5.389 3.262 1.00 0.00 C ATOM 181 C ILE A 12 -1.213 -5.938 4.567 1.00 0.00 C ATOM 182 O ILE A 12 -2.171 -6.714 4.559 1.00 0.00 O ATOM 183 CB ILE A 12 -1.806 -4.725 2.472 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.350 -4.324 1.069 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.330 -3.509 3.227 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.441 -3.680 0.237 1.00 0.00 C ATOM 0 H ILE A 12 -0.648 -6.962 1.882 1.00 0.00 H new ATOM 0 HA ILE A 12 0.112 -4.636 3.453 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.612 -5.452 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.512 -3.632 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.982 -5.209 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.141 -3.051 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.700 -3.819 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.525 -2.786 3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.045 -3.422 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.271 -4.378 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.793 -2.777 0.735 1.00 0.00 H new ATOM 198 N THR A 13 -0.619 -5.543 5.679 1.00 0.00 N ATOM 199 CA THR A 13 -1.084 -5.983 6.986 1.00 0.00 C ATOM 200 C THR A 13 -2.310 -5.181 7.410 1.00 0.00 C ATOM 201 O THR A 13 -3.111 -5.623 8.236 1.00 0.00 O ATOM 202 CB THR A 13 0.024 -5.834 8.037 1.00 0.00 C ATOM 203 OG1 THR A 13 1.232 -6.415 7.540 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.358 -6.507 9.349 1.00 0.00 C ATOM 0 H THR A 13 0.187 -4.918 5.705 1.00 0.00 H new ATOM 0 HA THR A 13 -1.355 -7.036 6.912 1.00 0.00 H new ATOM 0 HB THR A 13 0.168 -4.771 8.230 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.941 -6.319 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.449 -6.382 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.268 -6.052 9.740 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.529 -7.570 9.177 1.00 0.00 H new ATOM 212 N GLY A 14 -2.456 -4.004 6.824 1.00 0.00 N ATOM 213 CA GLY A 14 -3.573 -3.150 7.148 1.00 0.00 C ATOM 214 C GLY A 14 -3.281 -1.702 6.834 1.00 0.00 C ATOM 215 O GLY A 14 -2.615 -1.400 5.844 1.00 0.00 O ATOM 0 H GLY A 14 -1.816 -3.625 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.452 -3.473 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.813 -3.251 8.206 1.00 0.00 H new ATOM 219 N TYR A 15 -3.764 -0.809 7.677 1.00 0.00 N ATOM 220 CA TYR A 15 -3.559 0.613 7.473 1.00 0.00 C ATOM 221 C TYR A 15 -2.847 1.203 8.681 1.00 0.00 C ATOM 222 O TYR A 15 -2.995 0.701 9.798 1.00 0.00 O ATOM 223 CB TYR A 15 -4.893 1.324 7.262 1.00 0.00 C ATOM 224 CG TYR A 15 -5.782 0.691 6.215 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.636 -0.355 6.545 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.785 1.151 4.907 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.466 -0.923 5.600 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.611 0.584 3.955 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.451 -0.451 4.308 1.00 0.00 C ATOM 230 OH TYR A 15 -8.285 -1.010 3.367 1.00 0.00 O ATOM 0 H TYR A 15 -4.302 -1.044 8.511 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.947 0.754 6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.431 1.349 8.210 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.698 2.358 6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.650 -0.729 7.558 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.132 1.965 4.628 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.124 -1.734 5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.599 0.950 2.939 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.939 -0.821 2.470 1.00 0.00 H new ATOM 240 N SER A 16 -2.082 2.259 8.465 1.00 0.00 N ATOM 241 CA SER A 16 -1.312 2.866 9.527 1.00 0.00 C ATOM 242 C SER A 16 -2.227 3.564 10.539 1.00 0.00 C ATOM 243 O SER A 16 -3.367 3.898 10.227 1.00 0.00 O ATOM 244 CB SER A 16 -0.342 3.868 8.911 1.00 0.00 C ATOM 245 OG SER A 16 -1.038 4.854 8.169 1.00 0.00 O ATOM 0 H SER A 16 -1.980 2.713 7.557 1.00 0.00 H new ATOM 0 HA SER A 16 -0.761 2.092 10.061 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.243 4.345 9.697 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.361 3.347 8.261 1.00 0.00 H new ATOM 0 HG SER A 16 -0.396 5.405 7.674 1.00 0.00 H new ATOM 251 N PRO A 17 -1.741 3.798 11.770 1.00 0.00 N ATOM 252 CA PRO A 17 -2.483 4.561 12.779 1.00 0.00 C ATOM 253 C PRO A 17 -2.501 6.059 12.465 1.00 0.00 C ATOM 254 O PRO A 17 -2.892 6.880 13.297 1.00 0.00 O ATOM 255 CB PRO A 17 -1.713 4.294 14.084 1.00 0.00 C ATOM 256 CG PRO A 17 -0.735 3.208 13.765 1.00 0.00 C ATOM 257 CD PRO A 17 -0.460 3.317 12.293 1.00 0.00 C ATOM 0 HA PRO A 17 -3.530 4.261 12.826 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.201 5.193 14.427 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.390 3.989 14.882 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.182 3.326 14.343 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.144 2.229 14.014 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.352 4.012 12.082 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.179 2.357 11.860 1.00 0.00 H new ATOM 265 N ALA A 18 -2.076 6.400 11.254 1.00 0.00 N ATOM 266 CA ALA A 18 -2.036 7.782 10.806 1.00 0.00 C ATOM 267 C ALA A 18 -3.190 8.075 9.852 1.00 0.00 C ATOM 268 O ALA A 18 -3.492 9.234 9.567 1.00 0.00 O ATOM 269 CB ALA A 18 -0.704 8.069 10.129 1.00 0.00 C ATOM 0 H ALA A 18 -1.751 5.727 10.559 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.140 8.432 11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.681 9.107 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.108 7.897 10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.583 7.409 9.270 1.00 0.00 H new ATOM 275 N ILE A 19 -3.835 7.025 9.361 1.00 0.00 N ATOM 276 CA ILE A 19 -4.958 7.184 8.449 1.00 0.00 C ATOM 277 C ILE A 19 -6.266 7.288 9.236 1.00 0.00 C ATOM 278 O ILE A 19 -6.440 6.624 10.264 1.00 0.00 O ATOM 279 CB ILE A 19 -5.035 6.017 7.434 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.061 6.315 6.349 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.375 4.711 8.134 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.159 5.226 5.308 1.00 0.00 C ATOM 0 H ILE A 19 -3.600 6.057 9.579 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.804 8.105 7.886 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.055 5.913 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.038 6.456 6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.801 7.254 5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.423 3.907 7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.606 4.483 8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.340 4.806 8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.907 5.500 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.192 5.100 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.449 4.290 5.786 1.00 0.00 H new ATOM 294 N SER A 20 -7.181 8.123 8.765 1.00 0.00 N ATOM 295 CA SER A 20 -8.415 8.379 9.495 1.00 0.00 C ATOM 296 C SER A 20 -9.467 8.981 8.566 1.00 0.00 C ATOM 297 O SER A 20 -9.264 9.057 7.356 1.00 0.00 O ATOM 298 CB SER A 20 -8.119 9.327 10.669 1.00 0.00 C ATOM 299 OG SER A 20 -9.222 9.440 11.560 1.00 0.00 O ATOM 0 H SER A 20 -7.094 8.632 7.886 1.00 0.00 H new ATOM 0 HA SER A 20 -8.809 7.440 9.884 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.248 8.965 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.864 10.314 10.282 1.00 0.00 H new ATOM 0 HG SER A 20 -8.991 10.050 12.291 1.00 0.00 H new ATOM 305 N ASN A 21 -10.604 9.361 9.144 1.00 0.00 N ATOM 306 CA ASN A 21 -11.670 10.071 8.432 1.00 0.00 C ATOM 307 C ASN A 21 -12.197 9.261 7.242 1.00 0.00 C ATOM 308 O ASN A 21 -12.563 9.821 6.207 1.00 0.00 O ATOM 309 CB ASN A 21 -11.179 11.446 7.962 1.00 0.00 C ATOM 310 CG ASN A 21 -12.300 12.470 7.883 1.00 0.00 C ATOM 311 OD1 ASN A 21 -12.551 13.207 8.839 1.00 0.00 O ATOM 312 ND2 ASN A 21 -12.991 12.516 6.757 1.00 0.00 N ATOM 0 H ASN A 21 -10.815 9.185 10.126 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.495 10.207 9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.410 11.806 8.645 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.713 11.346 6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.761 13.177 6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.754 11.890 5.987 1.00 0.00 H new ATOM 319 N GLY A 22 -12.235 7.943 7.392 1.00 0.00 N ATOM 320 CA GLY A 22 -12.824 7.092 6.368 1.00 0.00 C ATOM 321 C GLY A 22 -11.922 6.852 5.170 1.00 0.00 C ATOM 322 O GLY A 22 -12.338 6.230 4.193 1.00 0.00 O ATOM 0 H GLY A 22 -11.869 7.445 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.083 6.131 6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.754 7.545 6.025 1.00 0.00 H new ATOM 326 N TYR A 23 -10.684 7.324 5.236 1.00 0.00 N ATOM 327 CA TYR A 23 -9.722 7.109 4.162 1.00 0.00 C ATOM 328 C TYR A 23 -9.442 5.617 3.971 1.00 0.00 C ATOM 329 O TYR A 23 -9.034 5.191 2.894 1.00 0.00 O ATOM 330 CB TYR A 23 -8.435 7.874 4.461 1.00 0.00 C ATOM 331 CG TYR A 23 -8.433 9.308 3.975 1.00 0.00 C ATOM 332 CD1 TYR A 23 -9.171 10.291 4.625 1.00 0.00 C ATOM 333 CD2 TYR A 23 -7.677 9.682 2.872 1.00 0.00 C ATOM 334 CE1 TYR A 23 -9.153 11.603 4.192 1.00 0.00 C ATOM 335 CE2 TYR A 23 -7.656 10.993 2.428 1.00 0.00 C ATOM 336 CZ TYR A 23 -8.396 11.950 3.092 1.00 0.00 C ATOM 337 OH TYR A 23 -8.373 13.261 2.664 1.00 0.00 O ATOM 0 H TYR A 23 -10.321 7.860 6.024 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.144 7.486 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.265 7.868 5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.598 7.347 4.003 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.769 10.024 5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.095 8.936 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.729 12.354 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.064 11.265 1.567 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.792 13.339 1.879 1.00 0.00 H new ATOM 347 N ARG A 24 -9.685 4.828 5.013 1.00 0.00 N ATOM 348 CA ARG A 24 -9.570 3.382 4.927 1.00 0.00 C ATOM 349 C ARG A 24 -10.591 2.817 3.949 1.00 0.00 C ATOM 350 O ARG A 24 -10.270 1.951 3.138 1.00 0.00 O ATOM 351 CB ARG A 24 -9.781 2.770 6.310 1.00 0.00 C ATOM 352 CG ARG A 24 -8.503 2.586 7.114 1.00 0.00 C ATOM 353 CD ARG A 24 -8.791 1.991 8.486 1.00 0.00 C ATOM 354 NE ARG A 24 -7.585 1.465 9.134 1.00 0.00 N ATOM 355 CZ ARG A 24 -6.971 2.044 10.168 1.00 0.00 C ATOM 356 NH1 ARG A 24 -7.422 3.192 10.654 1.00 0.00 N ATOM 357 NH2 ARG A 24 -5.898 1.476 10.709 1.00 0.00 N ATOM 0 H ARG A 24 -9.965 5.172 5.932 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.573 3.131 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.464 3.405 6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.267 1.801 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.819 1.935 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.003 3.547 7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.238 2.754 9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.524 1.190 8.385 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.189 0.598 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.241 3.636 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.950 3.632 11.444 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.543 0.596 10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.430 1.920 11.499 1.00 0.00 H new ATOM 371 N GLN A 25 -11.817 3.326 4.016 1.00 0.00 N ATOM 372 CA GLN A 25 -12.867 2.910 3.110 1.00 0.00 C ATOM 373 C GLN A 25 -12.535 3.359 1.696 1.00 0.00 C ATOM 374 O GLN A 25 -12.820 2.662 0.721 1.00 0.00 O ATOM 375 CB GLN A 25 -14.199 3.506 3.551 1.00 0.00 C ATOM 376 CG GLN A 25 -14.641 3.082 4.946 1.00 0.00 C ATOM 377 CD GLN A 25 -15.939 3.740 5.370 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.721 3.175 6.139 1.00 0.00 O ATOM 379 NE2 GLN A 25 -16.176 4.945 4.876 1.00 0.00 N ATOM 0 H GLN A 25 -12.103 4.031 4.695 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.945 1.823 3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.126 4.593 3.520 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.968 3.217 2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.761 1.999 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.859 3.333 5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.504 5.378 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.031 5.441 5.129 1.00 0.00 H new ATOM 388 N ARG A 26 -11.923 4.530 1.606 1.00 0.00 N ATOM 389 CA ARG A 26 -11.465 5.072 0.346 1.00 0.00 C ATOM 390 C ARG A 26 -10.412 4.167 -0.282 1.00 0.00 C ATOM 391 O ARG A 26 -10.461 3.878 -1.478 1.00 0.00 O ATOM 392 CB ARG A 26 -10.900 6.469 0.578 1.00 0.00 C ATOM 393 CG ARG A 26 -11.956 7.555 0.638 1.00 0.00 C ATOM 394 CD ARG A 26 -11.321 8.931 0.723 1.00 0.00 C ATOM 395 NE ARG A 26 -12.319 9.994 0.706 1.00 0.00 N ATOM 396 CZ ARG A 26 -12.031 11.284 0.551 1.00 0.00 C ATOM 397 NH1 ARG A 26 -10.773 11.671 0.358 1.00 0.00 N ATOM 398 NH2 ARG A 26 -12.999 12.185 0.574 1.00 0.00 N ATOM 0 H ARG A 26 -11.732 5.129 2.409 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.306 5.131 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.336 6.472 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.196 6.703 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.591 7.498 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.599 7.394 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.731 9.002 1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.634 9.065 -0.112 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.298 9.733 0.820 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.025 10.978 0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.556 12.661 0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.966 11.891 0.711 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.778 13.174 0.455 1.00 0.00 H new ATOM 412 N LEU A 27 -9.480 3.705 0.537 1.00 0.00 N ATOM 413 CA LEU A 27 -8.414 2.834 0.068 1.00 0.00 C ATOM 414 C LEU A 27 -8.969 1.465 -0.305 1.00 0.00 C ATOM 415 O LEU A 27 -8.604 0.896 -1.334 1.00 0.00 O ATOM 416 CB LEU A 27 -7.325 2.702 1.140 1.00 0.00 C ATOM 417 CG LEU A 27 -6.425 3.929 1.307 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.366 3.671 2.362 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.768 4.297 -0.012 1.00 0.00 C ATOM 0 H LEU A 27 -9.441 3.920 1.533 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.969 3.277 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.803 2.488 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.700 1.843 0.897 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.047 4.764 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.735 4.554 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.848 3.453 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.753 2.821 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.133 5.172 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.162 3.461 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.537 4.523 -0.751 1.00 0.00 H new ATOM 431 N PHE A 28 -9.875 0.967 0.522 1.00 0.00 N ATOM 432 CA PHE A 28 -10.530 -0.317 0.287 1.00 0.00 C ATOM 433 C PHE A 28 -11.249 -0.309 -1.057 1.00 0.00 C ATOM 434 O PHE A 28 -11.117 -1.237 -1.860 1.00 0.00 O ATOM 435 CB PHE A 28 -11.538 -0.587 1.402 1.00 0.00 C ATOM 436 CG PHE A 28 -12.101 -1.980 1.396 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.477 -2.993 2.102 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.252 -2.275 0.684 1.00 0.00 C ATOM 439 CE1 PHE A 28 -11.989 -4.274 2.100 1.00 0.00 C ATOM 440 CE2 PHE A 28 -13.769 -3.555 0.677 1.00 0.00 C ATOM 441 CZ PHE A 28 -13.137 -4.556 1.386 1.00 0.00 C ATOM 0 H PHE A 28 -10.179 1.438 1.374 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.773 -1.101 0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.058 -0.405 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.359 0.125 1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.578 -2.778 2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.751 -1.495 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.493 -5.055 2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.667 -3.773 0.117 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.539 -5.558 1.383 1.00 0.00 H new ATOM 451 N SER A 29 -12.000 0.754 -1.291 1.00 0.00 N ATOM 452 CA SER A 29 -12.764 0.918 -2.519 1.00 0.00 C ATOM 453 C SER A 29 -11.851 1.001 -3.742 1.00 0.00 C ATOM 454 O SER A 29 -12.239 0.634 -4.852 1.00 0.00 O ATOM 455 CB SER A 29 -13.616 2.178 -2.418 1.00 0.00 C ATOM 456 OG SER A 29 -14.531 2.090 -1.337 1.00 0.00 O ATOM 0 H SER A 29 -12.098 1.529 -0.635 1.00 0.00 H new ATOM 0 HA SER A 29 -13.404 0.045 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.972 3.047 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.162 2.327 -3.350 1.00 0.00 H new ATOM 0 HG SER A 29 -14.091 2.381 -0.511 1.00 0.00 H new ATOM 462 N MET A 30 -10.643 1.495 -3.532 1.00 0.00 N ATOM 463 CA MET A 30 -9.666 1.608 -4.611 1.00 0.00 C ATOM 464 C MET A 30 -8.901 0.303 -4.809 1.00 0.00 C ATOM 465 O MET A 30 -8.214 0.122 -5.814 1.00 0.00 O ATOM 466 CB MET A 30 -8.705 2.770 -4.348 1.00 0.00 C ATOM 467 CG MET A 30 -9.315 4.131 -4.645 1.00 0.00 C ATOM 468 SD MET A 30 -8.127 5.483 -4.495 1.00 0.00 S ATOM 469 CE MET A 30 -7.707 5.383 -2.757 1.00 0.00 C ATOM 0 H MET A 30 -10.311 1.825 -2.626 1.00 0.00 H new ATOM 0 HA MET A 30 -10.209 1.813 -5.533 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.387 2.741 -3.306 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.811 2.639 -4.958 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.727 4.126 -5.654 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.146 4.307 -3.962 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.185 6.291 -2.456 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.618 5.276 -2.168 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.062 4.521 -2.588 1.00 0.00 H new ATOM 479 N GLY A 31 -9.025 -0.607 -3.849 1.00 0.00 N ATOM 480 CA GLY A 31 -8.435 -1.925 -4.003 1.00 0.00 C ATOM 481 C GLY A 31 -7.326 -2.204 -3.009 1.00 0.00 C ATOM 482 O GLY A 31 -6.746 -3.288 -3.008 1.00 0.00 O ATOM 0 H GLY A 31 -9.521 -0.457 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.213 -2.680 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.040 -2.023 -5.014 1.00 0.00 H new ATOM 486 N LEU A 32 -7.038 -1.237 -2.153 1.00 0.00 N ATOM 487 CA LEU A 32 -5.977 -1.385 -1.168 1.00 0.00 C ATOM 488 C LEU A 32 -6.558 -1.840 0.162 1.00 0.00 C ATOM 489 O LEU A 32 -7.112 -1.042 0.917 1.00 0.00 O ATOM 490 CB LEU A 32 -5.220 -0.067 -1.001 1.00 0.00 C ATOM 491 CG LEU A 32 -4.545 0.455 -2.273 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.923 1.821 -2.033 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.493 -0.529 -2.764 1.00 0.00 C ATOM 0 H LEU A 32 -7.524 -0.341 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.275 -2.142 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.915 0.691 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.460 -0.197 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.309 0.558 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.450 2.171 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.698 2.526 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.175 1.746 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.025 -0.140 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.735 -0.666 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.965 -1.487 -2.983 1.00 0.00 H new ATOM 505 N LEU A 33 -6.441 -3.129 0.436 1.00 0.00 N ATOM 506 CA LEU A 33 -7.036 -3.715 1.622 1.00 0.00 C ATOM 507 C LEU A 33 -6.090 -4.726 2.269 1.00 0.00 C ATOM 508 O LEU A 33 -5.212 -5.280 1.603 1.00 0.00 O ATOM 509 CB LEU A 33 -8.377 -4.364 1.248 1.00 0.00 C ATOM 510 CG LEU A 33 -8.370 -5.241 -0.012 1.00 0.00 C ATOM 511 CD1 LEU A 33 -7.843 -6.635 0.289 1.00 0.00 C ATOM 512 CD2 LEU A 33 -9.765 -5.317 -0.614 1.00 0.00 C ATOM 0 H LEU A 33 -5.936 -3.792 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.216 -2.931 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.711 -4.972 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.116 -3.574 1.113 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.700 -4.780 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.851 -7.232 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.823 -6.565 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.477 -7.110 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.743 -5.942 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.452 -5.748 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.101 -4.315 -0.881 1.00 0.00 H new ATOM 524 N PRO A 34 -6.249 -4.964 3.581 1.00 0.00 N ATOM 525 CA PRO A 34 -5.418 -5.916 4.324 1.00 0.00 C ATOM 526 C PRO A 34 -5.610 -7.346 3.835 1.00 0.00 C ATOM 527 O PRO A 34 -6.735 -7.780 3.572 1.00 0.00 O ATOM 528 CB PRO A 34 -5.901 -5.784 5.777 1.00 0.00 C ATOM 529 CG PRO A 34 -6.666 -4.505 5.820 1.00 0.00 C ATOM 530 CD PRO A 34 -7.248 -4.325 4.449 1.00 0.00 C ATOM 0 HA PRO A 34 -4.356 -5.702 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.529 -6.628 6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.061 -5.764 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.451 -4.545 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.016 -3.670 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.225 -4.801 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.383 -3.272 4.202 1.00 0.00 H new ATOM 538 N GLY A 35 -4.508 -8.068 3.713 1.00 0.00 N ATOM 539 CA GLY A 35 -4.566 -9.440 3.263 1.00 0.00 C ATOM 540 C GLY A 35 -3.964 -9.619 1.887 1.00 0.00 C ATOM 541 O GLY A 35 -3.451 -10.690 1.561 1.00 0.00 O ATOM 0 H GLY A 35 -3.570 -7.725 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.038 -10.076 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.604 -9.772 3.249 1.00 0.00 H new ATOM 545 N ALA A 36 -4.014 -8.569 1.084 1.00 0.00 N ATOM 546 CA ALA A 36 -3.495 -8.613 -0.259 1.00 0.00 C ATOM 547 C ALA A 36 -2.017 -8.274 -0.258 1.00 0.00 C ATOM 548 O ALA A 36 -1.524 -7.590 0.633 1.00 0.00 O ATOM 549 CB ALA A 36 -4.259 -7.650 -1.157 1.00 0.00 C ATOM 0 H ALA A 36 -4.415 -7.670 1.350 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.623 -9.623 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.854 -7.696 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.313 -7.928 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.158 -6.635 -0.772 1.00 0.00 H new ATOM 555 N ALA A 37 -1.328 -8.770 -1.252 1.00 0.00 N ATOM 556 CA ALA A 37 0.099 -8.531 -1.401 1.00 0.00 C ATOM 557 C ALA A 37 0.428 -8.053 -2.811 1.00 0.00 C ATOM 558 O ALA A 37 -0.120 -8.556 -3.796 1.00 0.00 O ATOM 559 CB ALA A 37 0.884 -9.791 -1.069 1.00 0.00 C ATOM 0 H ALA A 37 -1.732 -9.352 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 37 0.387 -7.746 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.950 -9.597 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.679 -10.087 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.586 -10.594 -1.744 1.00 0.00 H new ATOM 565 N LEU A 38 1.309 -7.070 -2.901 1.00 0.00 N ATOM 566 CA LEU A 38 1.720 -6.518 -4.181 1.00 0.00 C ATOM 567 C LEU A 38 3.133 -6.967 -4.519 1.00 0.00 C ATOM 568 O LEU A 38 3.987 -7.074 -3.637 1.00 0.00 O ATOM 569 CB LEU A 38 1.680 -4.984 -4.167 1.00 0.00 C ATOM 570 CG LEU A 38 0.325 -4.330 -3.862 1.00 0.00 C ATOM 571 CD1 LEU A 38 -0.779 -4.938 -4.710 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.013 -4.418 -2.380 1.00 0.00 C ATOM 0 H LEU A 38 1.757 -6.635 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 38 1.021 -6.884 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.401 -4.632 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.019 -4.626 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 38 0.404 -3.274 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.727 -4.456 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.550 -4.790 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.852 -6.005 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.978 -3.946 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.059 -5.465 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.756 -3.907 -1.801 1.00 0.00 H new ATOM 584 N ARG A 39 3.370 -7.243 -5.786 1.00 0.00 N ATOM 585 CA ARG A 39 4.713 -7.544 -6.264 1.00 0.00 C ATOM 586 C ARG A 39 5.339 -6.260 -6.782 1.00 0.00 C ATOM 587 O ARG A 39 4.693 -5.515 -7.521 1.00 0.00 O ATOM 588 CB ARG A 39 4.670 -8.598 -7.374 1.00 0.00 C ATOM 589 CG ARG A 39 6.036 -9.138 -7.777 1.00 0.00 C ATOM 590 CD ARG A 39 5.927 -10.086 -8.961 1.00 0.00 C ATOM 591 NE ARG A 39 7.211 -10.700 -9.308 1.00 0.00 N ATOM 592 CZ ARG A 39 7.701 -10.742 -10.550 1.00 0.00 C ATOM 593 NH1 ARG A 39 7.071 -10.123 -11.537 1.00 0.00 N ATOM 594 NH2 ARG A 39 8.831 -11.387 -10.808 1.00 0.00 N ATOM 0 H ARG A 39 2.650 -7.266 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 39 5.310 -7.947 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.046 -9.429 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.190 -8.165 -8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.697 -8.309 -8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.488 -9.658 -6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.204 -10.869 -8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.543 -9.542 -9.824 1.00 0.00 H new ATOM 0 HE ARG A 39 7.762 -11.119 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.208 -9.612 -11.350 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.448 -10.157 -12.484 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.334 -11.856 -10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.197 -11.414 -11.760 1.00 0.00 H new ATOM 608 N VAL A 40 6.572 -5.983 -6.390 1.00 0.00 N ATOM 609 CA VAL A 40 7.206 -4.727 -6.765 1.00 0.00 C ATOM 610 C VAL A 40 7.561 -4.713 -8.248 1.00 0.00 C ATOM 611 O VAL A 40 8.169 -5.651 -8.767 1.00 0.00 O ATOM 612 CB VAL A 40 8.464 -4.428 -5.910 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.609 -5.372 -6.231 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.895 -2.982 -6.086 1.00 0.00 C ATOM 0 H VAL A 40 7.149 -6.601 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 40 6.479 -3.938 -6.570 1.00 0.00 H new ATOM 0 HB VAL A 40 8.195 -4.591 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.469 -5.126 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.300 -6.399 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.881 -5.270 -7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.779 -2.789 -5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.128 -2.797 -7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.088 -2.321 -5.771 1.00 0.00 H new ATOM 624 N VAL A 41 7.135 -3.664 -8.932 1.00 0.00 N ATOM 625 CA VAL A 41 7.469 -3.490 -10.331 1.00 0.00 C ATOM 626 C VAL A 41 8.633 -2.518 -10.488 1.00 0.00 C ATOM 627 O VAL A 41 9.563 -2.793 -11.246 1.00 0.00 O ATOM 628 CB VAL A 41 6.261 -2.993 -11.154 1.00 0.00 C ATOM 629 CG1 VAL A 41 6.633 -2.834 -12.621 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.086 -3.947 -11.009 1.00 0.00 C ATOM 0 H VAL A 41 6.557 -2.921 -8.539 1.00 0.00 H new ATOM 0 HA VAL A 41 7.760 -4.468 -10.715 1.00 0.00 H new ATOM 0 HB VAL A 41 5.968 -2.017 -10.766 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.766 -2.483 -13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.443 -2.110 -12.715 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.958 -3.795 -13.020 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.244 -3.580 -11.596 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.374 -4.936 -11.366 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.796 -4.011 -9.960 1.00 0.00 H new ATOM 640 N ARG A 42 8.599 -1.391 -9.765 1.00 0.00 N ATOM 641 CA ARG A 42 9.654 -0.384 -9.903 1.00 0.00 C ATOM 642 C ARG A 42 9.482 0.791 -8.932 1.00 0.00 C ATOM 643 O ARG A 42 8.379 1.304 -8.747 1.00 0.00 O ATOM 644 CB ARG A 42 9.646 0.148 -11.337 1.00 0.00 C ATOM 645 CG ARG A 42 10.867 0.965 -11.721 1.00 0.00 C ATOM 646 CD ARG A 42 10.720 1.484 -13.139 1.00 0.00 C ATOM 647 NE ARG A 42 11.920 2.147 -13.636 1.00 0.00 N ATOM 648 CZ ARG A 42 11.901 3.068 -14.597 1.00 0.00 C ATOM 649 NH1 ARG A 42 10.742 3.524 -15.058 1.00 0.00 N ATOM 650 NH2 ARG A 42 13.037 3.549 -15.085 1.00 0.00 N ATOM 0 H ARG A 42 7.868 -1.158 -9.093 1.00 0.00 H new ATOM 0 HA ARG A 42 10.602 -0.867 -9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.561 -0.696 -12.022 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.757 0.763 -11.476 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.988 1.800 -11.030 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.765 0.352 -11.641 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.472 0.653 -13.799 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.884 2.183 -13.178 1.00 0.00 H new ATOM 0 HE ARG A 42 12.819 1.892 -13.227 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.866 3.169 -14.676 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.728 4.230 -15.794 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.930 3.213 -14.724 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.018 4.255 -15.821 1.00 0.00 H new ATOM 664 N ILE A 43 10.586 1.200 -8.308 1.00 0.00 N ATOM 665 CA ILE A 43 10.654 2.476 -7.593 1.00 0.00 C ATOM 666 C ILE A 43 11.691 3.354 -8.290 1.00 0.00 C ATOM 667 O ILE A 43 12.811 2.903 -8.538 1.00 0.00 O ATOM 668 CB ILE A 43 11.080 2.342 -6.102 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.092 1.481 -5.309 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.217 3.722 -5.448 1.00 0.00 C ATOM 671 CD1 ILE A 43 10.352 -0.005 -5.421 1.00 0.00 C ATOM 0 H ILE A 43 11.452 0.662 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 43 9.650 2.900 -7.608 1.00 0.00 H new ATOM 0 HB ILE A 43 12.050 1.846 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.134 1.770 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.081 1.691 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.515 3.603 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.972 4.302 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.261 4.243 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.613 -0.549 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.281 -0.309 -6.465 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.350 -0.229 -5.045 1.00 0.00 H new ATOM 683 N ALA A 44 11.326 4.578 -8.625 1.00 0.00 N ATOM 684 CA ALA A 44 12.275 5.508 -9.224 1.00 0.00 C ATOM 685 C ALA A 44 13.357 5.889 -8.216 1.00 0.00 C ATOM 686 O ALA A 44 13.049 6.354 -7.116 1.00 0.00 O ATOM 687 CB ALA A 44 11.562 6.752 -9.725 1.00 0.00 C ATOM 0 H ALA A 44 10.386 4.953 -8.495 1.00 0.00 H new ATOM 0 HA ALA A 44 12.747 5.015 -10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 44 12.288 7.434 -10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.823 6.471 -10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.063 7.246 -8.891 1.00 0.00 H new ATOM 693 N PRO A 45 14.637 5.702 -8.585 1.00 0.00 N ATOM 694 CA PRO A 45 15.787 6.005 -7.712 1.00 0.00 C ATOM 695 C PRO A 45 15.817 7.461 -7.242 1.00 0.00 C ATOM 696 O PRO A 45 16.548 7.804 -6.312 1.00 0.00 O ATOM 697 CB PRO A 45 17.000 5.712 -8.602 1.00 0.00 C ATOM 698 CG PRO A 45 16.495 4.770 -9.640 1.00 0.00 C ATOM 699 CD PRO A 45 15.066 5.155 -9.883 1.00 0.00 C ATOM 0 HA PRO A 45 15.754 5.417 -6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 45 17.389 6.625 -9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.813 5.268 -8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 45 17.081 4.847 -10.556 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.569 3.737 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.978 5.894 -10.680 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.462 4.296 -10.177 1.00 0.00 H new ATOM 707 N LEU A 46 15.019 8.303 -7.895 1.00 0.00 N ATOM 708 CA LEU A 46 14.878 9.712 -7.521 1.00 0.00 C ATOM 709 C LEU A 46 14.482 9.859 -6.062 1.00 0.00 C ATOM 710 O LEU A 46 14.866 10.815 -5.393 1.00 0.00 O ATOM 711 CB LEU A 46 13.810 10.389 -8.387 1.00 0.00 C ATOM 712 CG LEU A 46 14.290 10.924 -9.740 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.470 11.863 -9.547 1.00 0.00 C ATOM 714 CD2 LEU A 46 14.654 9.781 -10.677 1.00 0.00 C ATOM 0 H LEU A 46 14.452 8.030 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 46 15.846 10.188 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.006 9.674 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.382 11.217 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 46 13.475 11.484 -10.198 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.801 12.236 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.169 12.702 -8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.288 11.326 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.992 10.186 -11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.452 9.186 -10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.779 9.151 -10.840 1.00 0.00 H new ATOM 726 N GLY A 47 13.707 8.908 -5.584 1.00 0.00 N ATOM 727 CA GLY A 47 13.222 8.966 -4.235 1.00 0.00 C ATOM 728 C GLY A 47 12.088 8.015 -4.033 1.00 0.00 C ATOM 729 O GLY A 47 12.265 6.953 -3.442 1.00 0.00 O ATOM 0 H GLY A 47 13.404 8.091 -6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.030 8.726 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.896 9.980 -4.005 1.00 0.00 H new ATOM 733 N ASP A 48 10.915 8.378 -4.538 1.00 0.00 N ATOM 734 CA ASP A 48 9.772 7.509 -4.398 1.00 0.00 C ATOM 735 C ASP A 48 8.607 7.848 -5.311 1.00 0.00 C ATOM 736 O ASP A 48 8.077 8.963 -5.312 1.00 0.00 O ATOM 737 CB ASP A 48 9.309 7.627 -2.946 1.00 0.00 C ATOM 738 CG ASP A 48 7.831 7.339 -2.736 1.00 0.00 C ATOM 739 OD1 ASP A 48 7.019 8.286 -2.890 1.00 0.00 O ATOM 740 OD2 ASP A 48 7.480 6.194 -2.402 1.00 0.00 O ATOM 0 H ASP A 48 10.740 9.250 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 48 10.082 6.502 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.892 6.939 -2.334 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.526 8.634 -2.588 1.00 0.00 H new ATOM 745 N PRO A 49 8.291 6.876 -6.165 1.00 0.00 N ATOM 746 CA PRO A 49 6.976 6.364 -6.446 1.00 0.00 C ATOM 747 C PRO A 49 6.954 4.885 -6.064 1.00 0.00 C ATOM 748 O PRO A 49 7.946 4.359 -5.556 1.00 0.00 O ATOM 749 CB PRO A 49 6.920 6.506 -7.962 1.00 0.00 C ATOM 750 CG PRO A 49 8.355 6.354 -8.406 1.00 0.00 C ATOM 751 CD PRO A 49 9.206 6.319 -7.147 1.00 0.00 C ATOM 0 HA PRO A 49 6.156 6.857 -5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.283 5.743 -8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.513 7.474 -8.256 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.485 5.440 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.650 7.183 -9.049 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.517 5.306 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.113 6.915 -7.248 1.00 0.00 H new ATOM 759 N ILE A 50 5.870 4.202 -6.325 1.00 0.00 N ATOM 760 CA ILE A 50 5.847 2.768 -6.119 1.00 0.00 C ATOM 761 C ILE A 50 4.984 2.108 -7.179 1.00 0.00 C ATOM 762 O ILE A 50 3.759 2.208 -7.143 1.00 0.00 O ATOM 763 CB ILE A 50 5.325 2.372 -4.710 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.206 2.968 -3.605 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.278 0.856 -4.575 1.00 0.00 C ATOM 766 CD1 ILE A 50 5.737 2.648 -2.202 1.00 0.00 C ATOM 0 H ILE A 50 5.000 4.603 -6.676 1.00 0.00 H new ATOM 0 HA ILE A 50 6.877 2.420 -6.196 1.00 0.00 H new ATOM 0 HB ILE A 50 4.318 2.775 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.225 2.600 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.241 4.051 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.911 0.590 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.611 0.444 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.279 0.447 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.413 3.105 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.731 3.040 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.729 1.568 -2.058 1.00 0.00 H new ATOM 778 N GLN A 51 5.629 1.478 -8.145 1.00 0.00 N ATOM 779 CA GLN A 51 4.919 0.707 -9.143 1.00 0.00 C ATOM 780 C GLN A 51 4.850 -0.736 -8.676 1.00 0.00 C ATOM 781 O GLN A 51 5.882 -1.357 -8.434 1.00 0.00 O ATOM 782 CB GLN A 51 5.630 0.797 -10.495 1.00 0.00 C ATOM 783 CG GLN A 51 4.677 0.847 -11.680 1.00 0.00 C ATOM 784 CD GLN A 51 5.391 1.000 -13.013 1.00 0.00 C ATOM 785 OE1 GLN A 51 6.513 0.521 -13.196 1.00 0.00 O ATOM 786 NE2 GLN A 51 4.762 1.699 -13.948 1.00 0.00 N ATOM 0 H GLN A 51 6.643 1.487 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 51 3.912 1.104 -9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.259 1.687 -10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.291 -0.062 -10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.080 -0.065 -11.697 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.985 1.679 -11.548 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.835 2.081 -13.762 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.206 1.855 -14.853 1.00 0.00 H new ATOM 795 N VAL A 52 3.643 -1.256 -8.518 1.00 0.00 N ATOM 796 CA VAL A 52 3.452 -2.610 -8.009 1.00 0.00 C ATOM 797 C VAL A 52 2.324 -3.314 -8.743 1.00 0.00 C ATOM 798 O VAL A 52 1.493 -2.674 -9.378 1.00 0.00 O ATOM 799 CB VAL A 52 3.149 -2.631 -6.494 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.393 -2.321 -5.679 1.00 0.00 C ATOM 801 CG2 VAL A 52 2.027 -1.660 -6.151 1.00 0.00 C ATOM 0 H VAL A 52 2.778 -0.762 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 52 4.392 -3.134 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 52 2.821 -3.638 -6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.147 -2.343 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.161 -3.066 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.765 -1.331 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.832 -1.693 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.321 -0.650 -6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.124 -1.941 -6.693 1.00 0.00 H new ATOM 811 N GLU A 53 2.297 -4.632 -8.638 1.00 0.00 N ATOM 812 CA GLU A 53 1.293 -5.448 -9.305 1.00 0.00 C ATOM 813 C GLU A 53 0.485 -6.215 -8.269 1.00 0.00 C ATOM 814 O GLU A 53 1.050 -6.772 -7.327 1.00 0.00 O ATOM 815 CB GLU A 53 1.979 -6.423 -10.266 1.00 0.00 C ATOM 816 CG GLU A 53 1.030 -7.388 -10.959 1.00 0.00 C ATOM 817 CD GLU A 53 1.768 -8.450 -11.744 1.00 0.00 C ATOM 818 OE1 GLU A 53 2.391 -9.329 -11.115 1.00 0.00 O ATOM 819 OE2 GLU A 53 1.745 -8.401 -12.991 1.00 0.00 O ATOM 0 H GLU A 53 2.969 -5.167 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 53 0.620 -4.805 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.515 -5.852 -11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.723 -6.997 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.393 -7.866 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.375 -6.832 -11.630 1.00 0.00 H new ATOM 826 N THR A 54 -0.832 -6.243 -8.432 1.00 0.00 N ATOM 827 CA THR A 54 -1.681 -6.965 -7.497 1.00 0.00 C ATOM 828 C THR A 54 -1.840 -8.415 -7.947 1.00 0.00 C ATOM 829 O THR A 54 -1.920 -9.328 -7.116 1.00 0.00 O ATOM 830 CB THR A 54 -3.066 -6.290 -7.331 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.868 -7.013 -6.387 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.804 -6.196 -8.656 1.00 0.00 C ATOM 0 H THR A 54 -1.329 -5.780 -9.193 1.00 0.00 H new ATOM 0 HA THR A 54 -1.194 -6.944 -6.522 1.00 0.00 H new ATOM 0 HB THR A 54 -2.892 -5.279 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.739 -6.573 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.771 -5.717 -8.501 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.216 -5.606 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.955 -7.197 -9.060 1.00 0.00 H new ATOM 840 N ARG A 55 -1.842 -8.612 -9.264 1.00 0.00 N ATOM 841 CA ARG A 55 -1.982 -9.933 -9.863 1.00 0.00 C ATOM 842 C ARG A 55 -1.988 -9.800 -11.379 1.00 0.00 C ATOM 843 O ARG A 55 -1.121 -10.333 -12.070 1.00 0.00 O ATOM 844 CB ARG A 55 -3.274 -10.611 -9.401 1.00 0.00 C ATOM 845 CG ARG A 55 -3.363 -12.081 -9.774 1.00 0.00 C ATOM 846 CD ARG A 55 -4.656 -12.696 -9.267 1.00 0.00 C ATOM 847 NE ARG A 55 -4.831 -12.477 -7.836 1.00 0.00 N ATOM 848 CZ ARG A 55 -6.009 -12.277 -7.249 1.00 0.00 C ATOM 849 NH1 ARG A 55 -7.131 -12.317 -7.961 1.00 0.00 N ATOM 850 NH2 ARG A 55 -6.065 -12.043 -5.945 1.00 0.00 N ATOM 0 H ARG A 55 -1.746 -7.858 -9.944 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.141 -10.549 -9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.357 -10.515 -8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.124 -10.084 -9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.306 -12.189 -10.857 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.512 -12.618 -9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.500 -12.267 -9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.656 -13.766 -9.474 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.998 -12.477 -7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.093 -12.502 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.030 -12.163 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.207 -12.017 -5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.966 -11.889 -5.493 1.00 0.00 H new ATOM 864 N GLN A 56 -2.976 -9.075 -11.887 1.00 0.00 N ATOM 865 CA GLN A 56 -3.090 -8.838 -13.316 1.00 0.00 C ATOM 866 C GLN A 56 -2.722 -7.394 -13.650 1.00 0.00 C ATOM 867 O GLN A 56 -2.058 -7.130 -14.653 1.00 0.00 O ATOM 868 CB GLN A 56 -4.516 -9.147 -13.787 1.00 0.00 C ATOM 869 CG GLN A 56 -4.688 -9.110 -15.298 1.00 0.00 C ATOM 870 CD GLN A 56 -3.841 -10.148 -16.005 1.00 0.00 C ATOM 871 OE1 GLN A 56 -2.706 -9.879 -16.389 1.00 0.00 O ATOM 872 NE2 GLN A 56 -4.381 -11.344 -16.172 1.00 0.00 N ATOM 0 H GLN A 56 -3.710 -8.641 -11.328 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.396 -9.498 -13.836 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.803 -10.133 -13.423 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.201 -8.429 -13.336 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.737 -9.273 -15.545 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.424 -8.119 -15.666 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.327 -11.527 -15.838 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.851 -12.083 -16.634 1.00 0.00 H new ATOM 881 N THR A 57 -3.120 -6.467 -12.789 1.00 0.00 N ATOM 882 CA THR A 57 -2.925 -5.053 -13.060 1.00 0.00 C ATOM 883 C THR A 57 -1.850 -4.468 -12.147 1.00 0.00 C ATOM 884 O THR A 57 -1.642 -4.944 -11.025 1.00 0.00 O ATOM 885 CB THR A 57 -4.250 -4.263 -12.906 1.00 0.00 C ATOM 886 OG1 THR A 57 -4.057 -2.886 -13.249 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.795 -4.360 -11.491 1.00 0.00 C ATOM 0 H THR A 57 -3.578 -6.670 -11.900 1.00 0.00 H new ATOM 0 HA THR A 57 -2.592 -4.959 -14.094 1.00 0.00 H new ATOM 0 HB THR A 57 -4.975 -4.709 -13.587 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.903 -2.402 -13.148 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.724 -3.795 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.986 -5.405 -11.246 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.066 -3.950 -10.792 1.00 0.00 H new ATOM 895 N SER A 58 -1.159 -3.454 -12.648 1.00 0.00 N ATOM 896 CA SER A 58 -0.117 -2.781 -11.898 1.00 0.00 C ATOM 897 C SER A 58 -0.514 -1.336 -11.602 1.00 0.00 C ATOM 898 O SER A 58 -1.189 -0.686 -12.408 1.00 0.00 O ATOM 899 CB SER A 58 1.199 -2.837 -12.675 1.00 0.00 C ATOM 900 OG SER A 58 0.972 -2.724 -14.072 1.00 0.00 O ATOM 0 H SER A 58 -1.307 -3.078 -13.584 1.00 0.00 H new ATOM 0 HA SER A 58 0.019 -3.291 -10.944 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.855 -2.032 -12.344 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.712 -3.775 -12.461 1.00 0.00 H new ATOM 0 HG SER A 58 1.829 -2.761 -14.547 1.00 0.00 H new ATOM 906 N LEU A 59 -0.113 -0.850 -10.435 1.00 0.00 N ATOM 907 CA LEU A 59 -0.467 0.484 -9.985 1.00 0.00 C ATOM 908 C LEU A 59 0.775 1.270 -9.575 1.00 0.00 C ATOM 909 O LEU A 59 1.836 0.693 -9.339 1.00 0.00 O ATOM 910 CB LEU A 59 -1.445 0.423 -8.799 1.00 0.00 C ATOM 911 CG LEU A 59 -2.846 -0.131 -9.100 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.843 -1.652 -9.141 1.00 0.00 C ATOM 913 CD2 LEU A 59 -3.846 0.374 -8.071 1.00 0.00 C ATOM 0 H LEU A 59 0.466 -1.371 -9.776 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.950 0.992 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.996 -0.189 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.555 1.429 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.145 0.227 -10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.849 -2.012 -9.356 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.161 -1.994 -9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.517 -2.041 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.834 -0.027 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.541 0.048 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.880 1.463 -8.101 1.00 0.00 H new ATOM 925 N ALA A 60 0.628 2.586 -9.505 1.00 0.00 N ATOM 926 CA ALA A 60 1.699 3.474 -9.069 1.00 0.00 C ATOM 927 C ALA A 60 1.172 4.444 -8.021 1.00 0.00 C ATOM 928 O ALA A 60 0.042 4.925 -8.129 1.00 0.00 O ATOM 929 CB ALA A 60 2.281 4.230 -10.254 1.00 0.00 C ATOM 0 H ALA A 60 -0.237 3.069 -9.749 1.00 0.00 H new ATOM 0 HA ALA A 60 2.495 2.876 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.079 4.888 -9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.683 3.520 -10.977 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.499 4.825 -10.726 1.00 0.00 H new ATOM 935 N LEU A 61 1.987 4.747 -7.019 1.00 0.00 N ATOM 936 CA LEU A 61 1.552 5.575 -5.909 1.00 0.00 C ATOM 937 C LEU A 61 2.758 6.266 -5.308 1.00 0.00 C ATOM 938 O LEU A 61 3.878 6.049 -5.773 1.00 0.00 O ATOM 939 CB LEU A 61 0.804 4.723 -4.868 1.00 0.00 C ATOM 940 CG LEU A 61 1.543 3.488 -4.345 1.00 0.00 C ATOM 941 CD1 LEU A 61 2.429 3.839 -3.160 1.00 0.00 C ATOM 942 CD2 LEU A 61 0.555 2.397 -3.966 1.00 0.00 C ATOM 0 H LEU A 61 2.954 4.430 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 61 0.856 6.337 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.557 5.360 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.139 4.397 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 61 2.183 3.116 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.941 2.942 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.166 4.582 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.816 4.244 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.098 1.527 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.113 2.766 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.029 2.115 -4.842 1.00 0.00 H new ATOM 954 N ARG A 62 2.551 7.112 -4.310 1.00 0.00 N ATOM 955 CA ARG A 62 3.662 7.827 -3.711 1.00 0.00 C ATOM 956 C ARG A 62 3.767 7.547 -2.224 1.00 0.00 C ATOM 957 O ARG A 62 3.023 6.745 -1.658 1.00 0.00 O ATOM 958 CB ARG A 62 3.527 9.336 -3.916 1.00 0.00 C ATOM 959 CG ARG A 62 3.126 9.731 -5.320 1.00 0.00 C ATOM 960 CD ARG A 62 4.082 9.202 -6.379 1.00 0.00 C ATOM 961 NE ARG A 62 5.435 9.737 -6.246 1.00 0.00 N ATOM 962 CZ ARG A 62 5.986 10.579 -7.122 1.00 0.00 C ATOM 963 NH1 ARG A 62 5.271 11.042 -8.143 1.00 0.00 N ATOM 964 NH2 ARG A 62 7.248 10.961 -6.971 1.00 0.00 N ATOM 0 H ARG A 62 1.638 7.317 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 62 4.564 7.471 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.787 9.723 -3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.477 9.812 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.122 9.358 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.082 10.818 -5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.120 8.114 -6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.695 9.451 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 62 5.989 9.451 -5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.299 10.754 -8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.694 11.686 -8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.796 10.611 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.670 11.605 -7.641 1.00 0.00 H new ATOM 978 N ARG A 63 4.696 8.253 -1.616 1.00 0.00 N ATOM 979 CA ARG A 63 4.974 8.160 -0.190 1.00 0.00 C ATOM 980 C ARG A 63 3.727 8.432 0.646 1.00 0.00 C ATOM 981 O ARG A 63 3.557 7.861 1.720 1.00 0.00 O ATOM 982 CB ARG A 63 6.080 9.144 0.188 1.00 0.00 C ATOM 983 CG ARG A 63 5.709 10.605 -0.018 1.00 0.00 C ATOM 984 CD ARG A 63 6.823 11.534 0.434 1.00 0.00 C ATOM 985 NE ARG A 63 8.009 11.445 -0.419 1.00 0.00 N ATOM 986 CZ ARG A 63 9.255 11.384 0.049 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.470 11.264 1.348 1.00 0.00 N ATOM 988 NH2 ARG A 63 10.282 11.429 -0.790 1.00 0.00 N ATOM 0 H ARG A 63 5.293 8.921 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 63 5.301 7.142 0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.345 8.992 1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.969 8.919 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.493 10.781 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.798 10.831 0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.457 12.561 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.099 11.292 1.460 1.00 0.00 H new ATOM 0 HE ARG A 63 7.874 11.429 -1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.681 11.218 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.424 11.217 1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.118 11.510 -1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.236 11.382 -0.432 1.00 0.00 H new ATOM 1002 N LYS A 64 2.873 9.321 0.159 1.00 0.00 N ATOM 1003 CA LYS A 64 1.640 9.651 0.862 1.00 0.00 C ATOM 1004 C LYS A 64 0.737 8.427 0.958 1.00 0.00 C ATOM 1005 O LYS A 64 0.187 8.134 2.017 1.00 0.00 O ATOM 1006 CB LYS A 64 0.903 10.791 0.161 1.00 0.00 C ATOM 1007 CG LYS A 64 -0.375 11.220 0.870 1.00 0.00 C ATOM 1008 CD LYS A 64 -1.084 12.336 0.118 1.00 0.00 C ATOM 1009 CE LYS A 64 -0.238 13.596 0.057 1.00 0.00 C ATOM 1010 NZ LYS A 64 -0.886 14.659 -0.750 1.00 0.00 N ATOM 0 H LYS A 64 3.010 9.825 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 64 1.902 9.976 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.570 11.649 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.658 10.483 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.043 10.364 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.137 11.555 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.316 12.003 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.033 12.558 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.062 13.964 1.068 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.736 13.359 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.277 15.502 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.031 14.317 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.804 14.904 -0.328 1.00 0.00 H new ATOM 1024 N ASP A 65 0.609 7.704 -0.149 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.190 6.489 -0.185 1.00 0.00 C ATOM 1026 C ASP A 65 0.472 5.416 0.672 1.00 0.00 C ATOM 1027 O ASP A 65 -0.194 4.671 1.388 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.334 5.985 -1.624 1.00 0.00 C ATOM 1029 CG ASP A 65 -0.785 7.063 -2.590 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -2.005 7.291 -2.720 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.087 7.686 -3.242 1.00 0.00 O ATOM 0 H ASP A 65 1.052 7.942 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.182 6.710 0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.622 5.582 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.051 5.164 -1.645 1.00 0.00 H new ATOM 1036 N LEU A 66 1.797 5.365 0.594 1.00 0.00 N ATOM 1037 CA LEU A 66 2.596 4.439 1.387 1.00 0.00 C ATOM 1038 C LEU A 66 2.386 4.679 2.877 1.00 0.00 C ATOM 1039 O LEU A 66 2.293 3.738 3.659 1.00 0.00 O ATOM 1040 CB LEU A 66 4.078 4.606 1.034 1.00 0.00 C ATOM 1041 CG LEU A 66 5.052 3.741 1.837 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.808 2.266 1.566 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.490 4.116 1.501 1.00 0.00 C ATOM 0 H LEU A 66 2.347 5.965 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 66 2.279 3.422 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.208 4.381 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.350 5.652 1.173 1.00 0.00 H new ATOM 0 HG LEU A 66 4.883 3.924 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.511 1.668 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.789 2.007 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.949 2.063 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.173 3.493 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.668 3.959 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.659 5.164 1.746 1.00 0.00 H new ATOM 1055 N ALA A 67 2.294 5.944 3.259 1.00 0.00 N ATOM 1056 CA ALA A 67 2.168 6.322 4.662 1.00 0.00 C ATOM 1057 C ALA A 67 0.793 5.970 5.232 1.00 0.00 C ATOM 1058 O ALA A 67 0.596 6.004 6.446 1.00 0.00 O ATOM 1059 CB ALA A 67 2.446 7.810 4.836 1.00 0.00 C ATOM 0 H ALA A 67 2.304 6.733 2.613 1.00 0.00 H new ATOM 0 HA ALA A 67 2.909 5.749 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.348 8.078 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.458 8.033 4.497 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.731 8.385 4.247 1.00 0.00 H new ATOM 1065 N LEU A 68 -0.153 5.637 4.363 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.495 5.273 4.806 1.00 0.00 C ATOM 1067 C LEU A 68 -1.617 3.764 4.980 1.00 0.00 C ATOM 1068 O LEU A 68 -2.486 3.281 5.709 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.541 5.761 3.802 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.581 7.274 3.581 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -3.616 7.631 2.525 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -2.885 7.996 4.884 1.00 0.00 C ATOM 0 H LEU A 68 -0.018 5.611 3.352 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.672 5.753 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.355 5.276 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.524 5.434 4.139 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.601 7.595 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.631 8.711 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.360 7.143 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.600 7.295 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.909 9.071 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.853 7.669 5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.111 7.766 5.616 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.736 3.022 4.325 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.816 1.568 4.328 1.00 0.00 C ATOM 1086 C LEU A 69 0.277 0.953 5.185 1.00 0.00 C ATOM 1087 O LEU A 69 1.415 1.420 5.185 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.690 1.027 2.901 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.826 1.401 1.950 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.496 0.964 0.532 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.134 0.775 2.410 1.00 0.00 C ATOM 0 H LEU A 69 0.042 3.402 3.785 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.785 1.296 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.248 1.386 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.623 -0.060 2.948 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.942 2.485 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.315 1.238 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.581 1.457 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.355 -0.117 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.932 1.052 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.031 -0.310 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.377 1.134 3.410 1.00 0.00 H new ATOM 1103 N THR A 70 -0.069 -0.091 5.918 1.00 0.00 N ATOM 1104 CA THR A 70 0.932 -0.883 6.600 1.00 0.00 C ATOM 1105 C THR A 70 1.361 -2.019 5.684 1.00 0.00 C ATOM 1106 O THR A 70 0.584 -2.934 5.395 1.00 0.00 O ATOM 1107 CB THR A 70 0.400 -1.468 7.917 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.284 -0.454 8.662 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.535 -2.031 8.755 1.00 0.00 C ATOM 0 H THR A 70 -1.030 -0.406 6.054 1.00 0.00 H new ATOM 0 HA THR A 70 1.775 -0.236 6.841 1.00 0.00 H new ATOM 0 HB THR A 70 -0.292 -2.275 7.676 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.622 -0.835 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.134 -2.440 9.683 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.041 -2.821 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.246 -1.237 8.985 1.00 0.00 H new ATOM 1117 N LEU A 71 2.594 -1.957 5.236 1.00 0.00 N ATOM 1118 CA LEU A 71 3.098 -2.908 4.262 1.00 0.00 C ATOM 1119 C LEU A 71 4.295 -3.650 4.822 1.00 0.00 C ATOM 1120 O LEU A 71 5.245 -3.036 5.314 1.00 0.00 O ATOM 1121 CB LEU A 71 3.505 -2.189 2.970 1.00 0.00 C ATOM 1122 CG LEU A 71 2.401 -1.382 2.287 1.00 0.00 C ATOM 1123 CD1 LEU A 71 2.935 -0.718 1.027 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.218 -2.270 1.953 1.00 0.00 C ATOM 0 H LEU A 71 3.273 -1.255 5.530 1.00 0.00 H new ATOM 0 HA LEU A 71 2.303 -3.620 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.335 -1.518 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.877 -2.931 2.264 1.00 0.00 H new ATOM 0 HG LEU A 71 2.065 -0.607 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.138 -0.147 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.755 -0.049 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.295 -1.482 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.443 -1.677 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.539 -3.067 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.820 -2.706 2.869 1.00 0.00 H new ATOM 1136 N VAL A 72 4.243 -4.967 4.760 1.00 0.00 N ATOM 1137 CA VAL A 72 5.356 -5.789 5.200 1.00 0.00 C ATOM 1138 C VAL A 72 5.789 -6.727 4.081 1.00 0.00 C ATOM 1139 O VAL A 72 4.957 -7.354 3.430 1.00 0.00 O ATOM 1140 CB VAL A 72 5.005 -6.604 6.469 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.672 -5.676 7.631 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.856 -7.570 6.206 1.00 0.00 C ATOM 0 H VAL A 72 3.442 -5.492 4.409 1.00 0.00 H new ATOM 0 HA VAL A 72 6.179 -5.120 5.453 1.00 0.00 H new ATOM 0 HB VAL A 72 5.881 -7.193 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.428 -6.269 8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.531 -5.041 7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.818 -5.053 7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.634 -8.127 7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.973 -7.010 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.139 -8.265 5.415 1.00 0.00 H new ATOM 1152 N PRO A 73 7.096 -6.816 3.816 1.00 0.00 N ATOM 1153 CA PRO A 73 7.618 -7.697 2.776 1.00 0.00 C ATOM 1154 C PRO A 73 7.370 -9.162 3.112 1.00 0.00 C ATOM 1155 O PRO A 73 7.064 -9.498 4.262 1.00 0.00 O ATOM 1156 CB PRO A 73 9.127 -7.404 2.762 1.00 0.00 C ATOM 1157 CG PRO A 73 9.295 -6.133 3.526 1.00 0.00 C ATOM 1158 CD PRO A 73 8.161 -6.083 4.507 1.00 0.00 C ATOM 0 HA PRO A 73 7.138 -7.523 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.688 -8.216 3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.497 -7.300 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.256 -6.112 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.271 -5.271 2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.426 -6.553 5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.866 -5.058 4.731 1.00 0.00 H new ATOM 1166 N LEU A 74 7.483 -10.027 2.111 1.00 0.00 N ATOM 1167 CA LEU A 74 7.406 -11.460 2.336 1.00 0.00 C ATOM 1168 C LEU A 74 8.412 -11.867 3.404 1.00 0.00 C ATOM 1169 O LEU A 74 8.052 -12.426 4.439 1.00 0.00 O ATOM 1170 CB LEU A 74 7.690 -12.223 1.042 1.00 0.00 C ATOM 1171 CG LEU A 74 6.696 -11.993 -0.098 1.00 0.00 C ATOM 1172 CD1 LEU A 74 7.103 -12.799 -1.323 1.00 0.00 C ATOM 1173 CD2 LEU A 74 5.285 -12.356 0.337 1.00 0.00 C ATOM 0 H LEU A 74 7.628 -9.759 1.138 1.00 0.00 H new ATOM 0 HA LEU A 74 6.399 -11.706 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.685 -11.949 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.714 -13.289 1.269 1.00 0.00 H new ATOM 0 HG LEU A 74 6.708 -10.935 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.387 -12.626 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.096 -12.489 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.118 -13.860 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.594 -12.185 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.252 -13.407 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.996 -11.737 1.186 1.00 0.00 H new ATOM 1185 N ASP A 75 9.673 -11.559 3.144 1.00 0.00 N ATOM 1186 CA ASP A 75 10.741 -11.810 4.094 1.00 0.00 C ATOM 1187 C ASP A 75 12.018 -11.150 3.604 1.00 0.00 C ATOM 1188 O ASP A 75 12.671 -11.711 2.697 1.00 0.00 O ATOM 1189 CB ASP A 75 10.961 -13.312 4.292 1.00 0.00 C ATOM 1190 CG ASP A 75 11.964 -13.611 5.390 1.00 0.00 C ATOM 1191 OD1 ASP A 75 11.620 -13.431 6.579 1.00 0.00 O ATOM 1192 OD2 ASP A 75 13.089 -14.053 5.072 1.00 0.00 O ATOM 1193 OXT ASP A 75 12.355 -10.057 4.102 1.00 0.00 O ATOM 0 H ASP A 75 9.982 -11.130 2.272 1.00 0.00 H new ATOM 0 HA ASP A 75 10.458 -11.386 5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.010 -13.787 4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.308 -13.752 3.357 1.00 0.00 H new