USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 MET CE :methyl -95:sc= -0.304 (180deg=-1.36) USER MOD Set 1.2: A 45 GLN : amide:sc= 0 X(o=-0.3,f=-0.35) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.747 K(o=-0.75,f=-4.9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 83:sc= 0.0289 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -140:sc= -3.88! USER MOD Single : A 38 THR OG1 : rot -111:sc= 0.237 USER MOD Single : A 39 THR OG1 : rot -116:sc= 0.182! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0697) USER MOD Single : A 58 ASN : amide:sc= -2.75 X(o=-2.8,f=-3.2!) USER MOD Single : A 61 SER OG : rot 10:sc= 1.25 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 90:sc= -0.135 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.73 K(o=-2.7,f=-7.9!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 5.800 -9.751 2.514 1.00 0.00 N ATOM 109 CA MET A 11 6.510 -8.904 1.562 1.00 0.00 C ATOM 110 C MET A 11 7.194 -7.737 2.270 1.00 0.00 C ATOM 111 O MET A 11 8.278 -7.310 1.875 1.00 0.00 O ATOM 112 CB MET A 11 5.546 -8.377 0.498 1.00 0.00 C ATOM 113 CG MET A 11 5.448 -9.268 -0.729 1.00 0.00 C ATOM 114 SD MET A 11 6.838 -9.051 -1.856 1.00 0.00 S ATOM 115 CE MET A 11 7.842 -10.475 -1.435 1.00 0.00 C ATOM 0 HA MET A 11 7.277 -9.510 1.080 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.555 -8.270 0.939 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.867 -7.382 0.190 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.400 -10.310 -0.414 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.519 -9.052 -1.257 1.00 0.00 H new ATOM 0 HE1 MET A 11 8.595 -10.186 -0.702 1.00 0.00 H new ATOM 0 HE2 MET A 11 7.208 -11.256 -1.015 1.00 0.00 H new ATOM 0 HE3 MET A 11 8.335 -10.851 -2.332 1.00 0.00 H new ATOM 125 N LEU A 12 6.553 -7.225 3.315 1.00 0.00 N ATOM 126 CA LEU A 12 7.100 -6.106 4.075 1.00 0.00 C ATOM 127 C LEU A 12 8.479 -6.446 4.631 1.00 0.00 C ATOM 128 O LEU A 12 9.355 -5.584 4.715 1.00 0.00 O ATOM 129 CB LEU A 12 6.155 -5.726 5.217 1.00 0.00 C ATOM 130 CG LEU A 12 5.115 -4.660 4.871 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.010 -4.634 5.915 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.773 -3.293 4.753 1.00 0.00 C ATOM 0 H LEU A 12 5.654 -7.567 3.655 1.00 0.00 H new ATOM 0 HA LEU A 12 7.201 -5.257 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.635 -6.624 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.751 -5.371 6.058 1.00 0.00 H new ATOM 0 HG LEU A 12 4.670 -4.912 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.279 -3.869 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.520 -5.607 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.437 -4.407 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.018 -2.546 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.245 -3.033 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.528 -3.319 3.967 1.00 0.00 H new ATOM 144 N SER A 13 8.666 -7.705 5.011 1.00 0.00 N ATOM 145 CA SER A 13 9.939 -8.157 5.559 1.00 0.00 C ATOM 146 C SER A 13 11.036 -8.109 4.500 1.00 0.00 C ATOM 147 O SER A 13 12.202 -7.869 4.811 1.00 0.00 O ATOM 148 CB SER A 13 9.807 -9.577 6.111 1.00 0.00 C ATOM 149 OG SER A 13 9.560 -10.508 5.071 1.00 0.00 O ATOM 0 H SER A 13 7.952 -8.431 4.950 1.00 0.00 H new ATOM 0 HA SER A 13 10.214 -7.484 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.720 -9.851 6.640 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.995 -9.614 6.837 1.00 0.00 H new ATOM 0 HG SER A 13 9.481 -11.408 5.450 1.00 0.00 H new ATOM 155 N ALA A 14 10.653 -8.341 3.248 1.00 0.00 N ATOM 156 CA ALA A 14 11.604 -8.324 2.143 1.00 0.00 C ATOM 157 C ALA A 14 11.936 -6.895 1.728 1.00 0.00 C ATOM 158 O ALA A 14 13.046 -6.612 1.276 1.00 0.00 O ATOM 159 CB ALA A 14 11.050 -9.104 0.961 1.00 0.00 C ATOM 0 H ALA A 14 9.691 -8.543 2.974 1.00 0.00 H new ATOM 0 HA ALA A 14 12.525 -8.800 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.769 -9.084 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.869 -10.137 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.114 -8.651 0.633 1.00 0.00 H new ATOM 165 N LEU A 15 10.968 -5.997 1.883 1.00 0.00 N ATOM 166 CA LEU A 15 11.159 -4.597 1.524 1.00 0.00 C ATOM 167 C LEU A 15 11.829 -3.831 2.661 1.00 0.00 C ATOM 168 O LEU A 15 12.812 -3.122 2.449 1.00 0.00 O ATOM 169 CB LEU A 15 9.816 -3.950 1.179 1.00 0.00 C ATOM 170 CG LEU A 15 9.119 -4.524 -0.055 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.634 -4.197 -0.029 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.762 -3.991 -1.326 1.00 0.00 C ATOM 0 H LEU A 15 10.043 -6.214 2.255 1.00 0.00 H new ATOM 0 HA LEU A 15 11.809 -4.557 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.149 -4.054 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.973 -2.882 1.025 1.00 0.00 H new ATOM 0 HG LEU A 15 9.232 -5.608 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.154 -4.613 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.182 -4.628 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.500 -3.115 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.253 -4.410 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.680 -2.904 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.814 -4.276 -1.349 1.00 0.00 H new ATOM 184 N GLY A 16 11.289 -3.978 3.866 1.00 0.00 N ATOM 185 CA GLY A 16 11.847 -3.294 5.017 1.00 0.00 C ATOM 186 C GLY A 16 11.005 -2.110 5.452 1.00 0.00 C ATOM 187 O GLY A 16 11.536 -1.064 5.823 1.00 0.00 O ATOM 0 H GLY A 16 10.475 -4.559 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.936 -3.997 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.854 -2.952 4.780 1.00 0.00 H new ATOM 191 N LEU A 17 9.686 -2.277 5.407 1.00 0.00 N ATOM 192 CA LEU A 17 8.768 -1.214 5.799 1.00 0.00 C ATOM 193 C LEU A 17 7.689 -1.746 6.737 1.00 0.00 C ATOM 194 O LEU A 17 7.511 -2.958 6.870 1.00 0.00 O ATOM 195 CB LEU A 17 8.122 -0.588 4.561 1.00 0.00 C ATOM 196 CG LEU A 17 7.910 0.925 4.638 1.00 0.00 C ATOM 197 CD1 LEU A 17 9.244 1.649 4.711 1.00 0.00 C ATOM 198 CD2 LEU A 17 7.103 1.410 3.442 1.00 0.00 C ATOM 0 H LEU A 17 9.230 -3.138 5.103 1.00 0.00 H new ATOM 0 HA LEU A 17 9.339 -0.451 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.744 -0.809 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.158 -1.067 4.391 1.00 0.00 H new ATOM 0 HG LEU A 17 7.350 1.148 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.072 2.724 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.787 1.323 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.831 1.420 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.961 2.488 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.638 1.173 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.131 0.916 3.434 1.00 0.00 H new ATOM 210 N ARG A 18 6.970 -0.834 7.383 1.00 0.00 N ATOM 211 CA ARG A 18 5.907 -1.213 8.309 1.00 0.00 C ATOM 212 C ARG A 18 4.589 -0.547 7.926 1.00 0.00 C ATOM 213 O ARG A 18 4.575 0.485 7.255 1.00 0.00 O ATOM 214 CB ARG A 18 6.289 -0.831 9.740 1.00 0.00 C ATOM 215 CG ARG A 18 7.068 -1.912 10.470 1.00 0.00 C ATOM 216 CD ARG A 18 6.876 -1.818 11.975 1.00 0.00 C ATOM 217 NE ARG A 18 8.132 -2.002 12.700 1.00 0.00 N ATOM 218 CZ ARG A 18 8.214 -2.132 14.021 1.00 0.00 C ATOM 219 NH1 ARG A 18 7.115 -2.102 14.767 1.00 0.00 N ATOM 220 NH2 ARG A 18 9.395 -2.295 14.601 1.00 0.00 N ATOM 0 H ARG A 18 7.103 0.172 7.283 1.00 0.00 H new ATOM 0 HA ARG A 18 5.777 -2.294 8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.884 0.082 9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.382 -0.606 10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.745 -2.893 10.122 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.128 -1.822 10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.451 -0.846 12.226 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.158 -2.572 12.297 1.00 0.00 H new ATOM 0 HE ARG A 18 8.997 -2.032 12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.203 -1.979 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.183 -2.202 15.780 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.242 -2.321 14.034 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.456 -2.395 15.614 1.00 0.00 H new ATOM 234 N LEU A 19 3.483 -1.144 8.358 1.00 0.00 N ATOM 235 CA LEU A 19 2.159 -0.608 8.061 1.00 0.00 C ATOM 236 C LEU A 19 1.961 0.752 8.722 1.00 0.00 C ATOM 237 O LEU A 19 1.779 0.843 9.935 1.00 0.00 O ATOM 238 CB LEU A 19 1.076 -1.581 8.533 1.00 0.00 C ATOM 239 CG LEU A 19 1.077 -2.942 7.835 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.012 -3.836 8.407 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.896 -2.770 6.335 1.00 0.00 C ATOM 0 H LEU A 19 3.477 -1.999 8.915 1.00 0.00 H new ATOM 0 HA LEU A 19 2.079 -0.481 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.194 -1.740 9.605 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.102 -1.115 8.385 1.00 0.00 H new ATOM 0 HG LEU A 19 2.040 -3.420 8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.004 -4.800 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.162 -3.985 9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.984 -3.365 8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.899 -3.748 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.053 -2.271 6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.712 -2.167 5.937 1.00 0.00 H new ATOM 253 N GLY A 20 1.998 1.806 7.915 1.00 0.00 N ATOM 254 CA GLY A 20 1.822 3.148 8.438 1.00 0.00 C ATOM 255 C GLY A 20 2.673 4.172 7.713 1.00 0.00 C ATOM 256 O GLY A 20 2.316 5.347 7.641 1.00 0.00 O ATOM 0 H GLY A 20 2.147 1.755 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.772 3.431 8.357 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.074 3.157 9.498 1.00 0.00 H new ATOM 260 N ASP A 21 3.803 3.724 7.175 1.00 0.00 N ATOM 261 CA ASP A 21 4.709 4.610 6.452 1.00 0.00 C ATOM 262 C ASP A 21 4.123 4.999 5.099 1.00 0.00 C ATOM 263 O ASP A 21 3.084 4.483 4.688 1.00 0.00 O ATOM 264 CB ASP A 21 6.067 3.934 6.257 1.00 0.00 C ATOM 265 CG ASP A 21 7.214 4.926 6.277 1.00 0.00 C ATOM 266 OD1 ASP A 21 7.274 5.747 7.217 1.00 0.00 O ATOM 267 OD2 ASP A 21 8.052 4.883 5.352 1.00 0.00 O ATOM 0 H ASP A 21 4.113 2.754 7.226 1.00 0.00 H new ATOM 0 HA ASP A 21 4.843 5.515 7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.217 3.193 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.070 3.398 5.308 1.00 0.00 H new ATOM 272 N ARG A 22 4.797 5.914 4.410 1.00 0.00 N ATOM 273 CA ARG A 22 4.344 6.373 3.102 1.00 0.00 C ATOM 274 C ARG A 22 5.003 5.569 1.985 1.00 0.00 C ATOM 275 O ARG A 22 6.087 5.014 2.162 1.00 0.00 O ATOM 276 CB ARG A 22 4.651 7.862 2.926 1.00 0.00 C ATOM 277 CG ARG A 22 3.527 8.639 2.258 1.00 0.00 C ATOM 278 CD ARG A 22 2.819 9.558 3.242 1.00 0.00 C ATOM 279 NE ARG A 22 3.254 10.945 3.107 1.00 0.00 N ATOM 280 CZ ARG A 22 2.758 11.951 3.825 1.00 0.00 C ATOM 281 NH1 ARG A 22 1.812 11.728 4.728 1.00 0.00 N ATOM 282 NH2 ARG A 22 3.210 13.183 3.639 1.00 0.00 N ATOM 0 H ARG A 22 5.659 6.352 4.736 1.00 0.00 H new ATOM 0 HA ARG A 22 3.266 6.223 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.855 8.301 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.559 7.970 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.931 9.228 1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.808 7.942 1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.742 9.499 3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.010 9.216 4.259 1.00 0.00 H new ATOM 0 HE ARG A 22 3.980 11.156 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.461 10.782 4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.436 12.503 5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.937 13.360 2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.830 13.954 4.189 1.00 0.00 H new ATOM 296 N VAL A 23 4.340 5.512 0.834 1.00 0.00 N ATOM 297 CA VAL A 23 4.860 4.775 -0.311 1.00 0.00 C ATOM 298 C VAL A 23 4.605 5.530 -1.612 1.00 0.00 C ATOM 299 O VAL A 23 3.698 6.359 -1.692 1.00 0.00 O ATOM 300 CB VAL A 23 4.229 3.374 -0.414 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.652 2.510 0.764 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.713 3.477 -0.492 1.00 0.00 C ATOM 0 H VAL A 23 3.442 5.967 0.670 1.00 0.00 H new ATOM 0 HA VAL A 23 5.934 4.671 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 23 4.586 2.900 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.196 1.524 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.737 2.409 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.326 2.977 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.284 2.478 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.335 3.970 0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.432 4.057 -1.371 1.00 0.00 H new ATOM 312 N LEU A 24 5.409 5.238 -2.628 1.00 0.00 N ATOM 313 CA LEU A 24 5.270 5.888 -3.926 1.00 0.00 C ATOM 314 C LEU A 24 4.442 5.032 -4.876 1.00 0.00 C ATOM 315 O LEU A 24 4.813 3.901 -5.194 1.00 0.00 O ATOM 316 CB LEU A 24 6.647 6.160 -4.534 1.00 0.00 C ATOM 317 CG LEU A 24 6.693 7.307 -5.545 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.181 8.593 -4.916 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.107 7.495 -6.073 1.00 0.00 C ATOM 0 H LEU A 24 6.165 4.555 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 24 4.754 6.836 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.347 6.379 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.998 5.251 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 24 6.044 7.054 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.221 9.398 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.151 8.452 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.803 8.852 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.121 8.315 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.777 7.726 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.438 6.579 -6.562 1.00 0.00 H new ATOM 331 N LEU A 25 3.317 5.578 -5.328 1.00 0.00 N ATOM 332 CA LEU A 25 2.435 4.864 -6.244 1.00 0.00 C ATOM 333 C LEU A 25 2.612 5.366 -7.673 1.00 0.00 C ATOM 334 O LEU A 25 2.379 6.539 -7.962 1.00 0.00 O ATOM 335 CB LEU A 25 0.977 5.026 -5.809 1.00 0.00 C ATOM 336 CG LEU A 25 0.710 4.757 -4.327 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.750 5.018 -3.992 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.094 3.329 -3.968 1.00 0.00 C ATOM 0 H LEU A 25 2.995 6.512 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 25 2.700 3.807 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.655 6.041 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.360 4.351 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 25 1.324 5.437 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.921 4.821 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.994 6.057 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.383 4.363 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.898 3.154 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.506 2.633 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.154 3.175 -4.170 1.00 0.00 H new ATOM 350 N ASP A 26 3.025 4.470 -8.563 1.00 0.00 N ATOM 351 CA ASP A 26 3.234 4.821 -9.963 1.00 0.00 C ATOM 352 C ASP A 26 4.298 5.906 -10.100 1.00 0.00 C ATOM 353 O ASP A 26 4.292 6.676 -11.061 1.00 0.00 O ATOM 354 CB ASP A 26 1.923 5.295 -10.592 1.00 0.00 C ATOM 355 CG ASP A 26 1.775 4.840 -12.031 1.00 0.00 C ATOM 356 OD1 ASP A 26 1.774 3.614 -12.270 1.00 0.00 O ATOM 357 OD2 ASP A 26 1.660 5.711 -12.920 1.00 0.00 O ATOM 0 H ASP A 26 3.222 3.494 -8.339 1.00 0.00 H new ATOM 0 HA ASP A 26 3.580 3.930 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.085 4.918 -10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.876 6.383 -10.551 1.00 0.00 H new ATOM 362 N GLY A 27 5.211 5.963 -9.135 1.00 0.00 N ATOM 363 CA GLY A 27 6.268 6.958 -9.168 1.00 0.00 C ATOM 364 C GLY A 27 5.731 8.373 -9.269 1.00 0.00 C ATOM 365 O GLY A 27 6.406 9.264 -9.787 1.00 0.00 O ATOM 0 H GLY A 27 5.238 5.337 -8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.876 6.867 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.923 6.760 -10.017 1.00 0.00 H new ATOM 369 N GLN A 28 4.516 8.581 -8.773 1.00 0.00 N ATOM 370 CA GLN A 28 3.890 9.899 -8.812 1.00 0.00 C ATOM 371 C GLN A 28 3.052 10.139 -7.560 1.00 0.00 C ATOM 372 O GLN A 28 3.419 10.937 -6.699 1.00 0.00 O ATOM 373 CB GLN A 28 3.017 10.035 -10.059 1.00 0.00 C ATOM 374 CG GLN A 28 3.794 9.924 -11.361 1.00 0.00 C ATOM 375 CD GLN A 28 4.627 11.157 -11.648 1.00 0.00 C ATOM 376 OE1 GLN A 28 5.037 11.872 -10.734 1.00 0.00 O ATOM 377 NE2 GLN A 28 4.883 11.413 -12.926 1.00 0.00 N ATOM 0 H GLN A 28 3.945 7.855 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 28 4.680 10.649 -8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.246 9.264 -10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.506 10.997 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.446 9.051 -11.318 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.097 9.761 -12.183 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.523 10.794 -13.652 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.439 12.229 -13.181 1.00 0.00 H new ATOM 386 N LYS A 29 1.923 9.443 -7.468 1.00 0.00 N ATOM 387 CA LYS A 29 1.031 9.582 -6.322 1.00 0.00 C ATOM 388 C LYS A 29 1.691 9.053 -5.052 1.00 0.00 C ATOM 389 O LYS A 29 2.758 8.442 -5.104 1.00 0.00 O ATOM 390 CB LYS A 29 -0.280 8.837 -6.577 1.00 0.00 C ATOM 391 CG LYS A 29 -1.304 9.653 -7.347 1.00 0.00 C ATOM 392 CD LYS A 29 -1.296 9.307 -8.828 1.00 0.00 C ATOM 393 CE LYS A 29 -0.584 10.372 -9.646 1.00 0.00 C ATOM 394 NZ LYS A 29 -1.246 10.599 -10.959 1.00 0.00 N ATOM 0 H LYS A 29 1.604 8.778 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 29 0.818 10.642 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.067 7.922 -7.130 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.710 8.538 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.297 9.473 -6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.094 10.715 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.805 8.345 -8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.321 9.199 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.562 11.306 -9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.451 10.073 -9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.730 11.332 -11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.245 9.714 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.227 10.909 -10.804 1.00 0.00 H new ATOM 408 N THR A 30 1.050 9.295 -3.914 1.00 0.00 N ATOM 409 CA THR A 30 1.574 8.843 -2.630 1.00 0.00 C ATOM 410 C THR A 30 0.448 8.348 -1.727 1.00 0.00 C ATOM 411 O THR A 30 -0.650 8.904 -1.725 1.00 0.00 O ATOM 412 CB THR A 30 2.336 9.975 -1.940 1.00 0.00 C ATOM 413 OG1 THR A 30 1.586 11.176 -1.971 1.00 0.00 O ATOM 414 CG2 THR A 30 3.684 10.258 -2.567 1.00 0.00 C ATOM 0 H THR A 30 0.167 9.802 -3.854 1.00 0.00 H new ATOM 0 HA THR A 30 2.258 8.015 -2.816 1.00 0.00 H new ATOM 0 HB THR A 30 2.494 9.635 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.940 11.178 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.172 11.071 -2.030 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.305 9.364 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.547 10.543 -3.610 1.00 0.00 H new ATOM 422 N GLY A 31 0.729 7.299 -0.961 1.00 0.00 N ATOM 423 CA GLY A 31 -0.270 6.748 -0.064 1.00 0.00 C ATOM 424 C GLY A 31 0.344 6.118 1.171 1.00 0.00 C ATOM 425 O GLY A 31 1.566 6.064 1.306 1.00 0.00 O ATOM 0 H GLY A 31 1.630 6.821 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.957 7.538 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.858 6.000 -0.596 1.00 0.00 H new ATOM 429 N THR A 32 -0.507 5.639 2.073 1.00 0.00 N ATOM 430 CA THR A 32 -0.042 5.010 3.304 1.00 0.00 C ATOM 431 C THR A 32 -0.342 3.514 3.296 1.00 0.00 C ATOM 432 O THR A 32 -1.453 3.096 2.971 1.00 0.00 O ATOM 433 CB THR A 32 -0.701 5.667 4.518 1.00 0.00 C ATOM 434 OG1 THR A 32 -0.640 7.078 4.418 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.062 5.272 5.832 1.00 0.00 C ATOM 0 H THR A 32 -1.522 5.674 1.975 1.00 0.00 H new ATOM 0 HA THR A 32 1.038 5.147 3.367 1.00 0.00 H new ATOM 0 HB THR A 32 -1.732 5.315 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.068 7.480 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.577 5.773 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.136 4.192 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.988 5.566 5.829 1.00 0.00 H new ATOM 443 N LEU A 33 0.656 2.713 3.656 1.00 0.00 N ATOM 444 CA LEU A 33 0.499 1.264 3.691 1.00 0.00 C ATOM 445 C LEU A 33 -0.384 0.841 4.859 1.00 0.00 C ATOM 446 O LEU A 33 -0.180 1.273 5.994 1.00 0.00 O ATOM 447 CB LEU A 33 1.865 0.584 3.797 1.00 0.00 C ATOM 448 CG LEU A 33 1.864 -0.919 3.512 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.558 -1.183 2.045 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.200 -1.534 3.898 1.00 0.00 C ATOM 0 H LEU A 33 1.582 3.043 3.928 1.00 0.00 H new ATOM 0 HA LEU A 33 0.018 0.953 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.550 1.070 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.259 0.748 4.800 1.00 0.00 H new ATOM 0 HG LEU A 33 1.084 -1.384 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.561 -2.257 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.577 -0.776 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.316 -0.706 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.182 -2.604 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.997 -1.065 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.380 -1.375 4.961 1.00 0.00 H new ATOM 462 N ARG A 34 -1.367 -0.008 4.574 1.00 0.00 N ATOM 463 CA ARG A 34 -2.282 -0.491 5.601 1.00 0.00 C ATOM 464 C ARG A 34 -2.310 -2.016 5.633 1.00 0.00 C ATOM 465 O ARG A 34 -2.270 -2.625 6.702 1.00 0.00 O ATOM 466 CB ARG A 34 -3.692 0.050 5.354 1.00 0.00 C ATOM 467 CG ARG A 34 -3.740 1.558 5.162 1.00 0.00 C ATOM 468 CD ARG A 34 -4.988 2.162 5.787 1.00 0.00 C ATOM 469 NE ARG A 34 -4.673 2.985 6.952 1.00 0.00 N ATOM 470 CZ ARG A 34 -5.564 3.745 7.585 1.00 0.00 C ATOM 471 NH1 ARG A 34 -6.824 3.788 7.171 1.00 0.00 N ATOM 472 NH2 ARG A 34 -5.195 4.463 8.637 1.00 0.00 N ATOM 0 H ARG A 34 -1.550 -0.375 3.640 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.925 -0.131 6.566 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.108 -0.434 4.470 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.329 -0.221 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.854 2.011 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.716 1.791 4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.508 2.768 5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.669 1.363 6.081 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.715 2.977 7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.115 3.237 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.502 4.372 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.228 4.433 8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.878 5.045 9.122 1.00 0.00 H new ATOM 486 N PHE A 35 -2.377 -2.625 4.454 1.00 0.00 N ATOM 487 CA PHE A 35 -2.409 -4.080 4.345 1.00 0.00 C ATOM 488 C PHE A 35 -1.253 -4.588 3.490 1.00 0.00 C ATOM 489 O PHE A 35 -0.647 -3.829 2.734 1.00 0.00 O ATOM 490 CB PHE A 35 -3.741 -4.538 3.749 1.00 0.00 C ATOM 491 CG PHE A 35 -3.877 -6.030 3.659 1.00 0.00 C ATOM 492 CD1 PHE A 35 -4.378 -6.759 4.725 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.504 -6.705 2.507 1.00 0.00 C ATOM 494 CE1 PHE A 35 -4.505 -8.133 4.645 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.628 -8.079 2.421 1.00 0.00 C ATOM 496 CZ PHE A 35 -4.130 -8.794 3.491 1.00 0.00 C ATOM 0 H PHE A 35 -2.410 -2.134 3.560 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.305 -4.497 5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.556 -4.143 4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.850 -4.111 2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.673 -6.248 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.112 -6.151 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.897 -8.689 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.333 -8.593 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.229 -9.867 3.426 1.00 0.00 H new ATOM 506 N CYS A 36 -0.955 -5.877 3.613 1.00 0.00 N ATOM 507 CA CYS A 36 0.128 -6.486 2.850 1.00 0.00 C ATOM 508 C CYS A 36 -0.070 -7.994 2.735 1.00 0.00 C ATOM 509 O CYS A 36 -0.415 -8.662 3.710 1.00 0.00 O ATOM 510 CB CYS A 36 1.475 -6.186 3.510 1.00 0.00 C ATOM 511 SG CYS A 36 2.869 -6.156 2.358 1.00 0.00 S ATOM 0 H CYS A 36 -1.448 -6.520 4.233 1.00 0.00 H new ATOM 0 HA CYS A 36 0.119 -6.059 1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.414 -5.222 4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.667 -6.936 4.277 1.00 0.00 H new ATOM 0 HG CYS A 36 3.901 -6.723 2.910 1.00 0.00 H new ATOM 517 N GLY A 37 0.151 -8.525 1.537 1.00 0.00 N ATOM 518 CA GLY A 37 -0.008 -9.950 1.315 1.00 0.00 C ATOM 519 C GLY A 37 -0.900 -10.257 0.127 1.00 0.00 C ATOM 520 O GLY A 37 -1.022 -9.446 -0.791 1.00 0.00 O ATOM 0 H GLY A 37 0.438 -7.993 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.971 -10.401 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.429 -10.409 2.210 1.00 0.00 H new ATOM 524 N THR A 38 -1.523 -11.430 0.145 1.00 0.00 N ATOM 525 CA THR A 38 -2.409 -11.841 -0.938 1.00 0.00 C ATOM 526 C THR A 38 -3.644 -10.950 -1.000 1.00 0.00 C ATOM 527 O THR A 38 -3.722 -9.931 -0.313 1.00 0.00 O ATOM 528 CB THR A 38 -2.827 -13.301 -0.757 1.00 0.00 C ATOM 529 OG1 THR A 38 -3.614 -13.737 -1.851 1.00 0.00 O ATOM 530 CG2 THR A 38 -3.627 -13.541 0.507 1.00 0.00 C ATOM 0 H THR A 38 -1.431 -12.113 0.897 1.00 0.00 H new ATOM 0 HA THR A 38 -1.864 -11.740 -1.877 1.00 0.00 H new ATOM 0 HB THR A 38 -1.895 -13.863 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.536 -13.883 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.892 -14.596 0.575 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.030 -13.260 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.536 -12.940 0.482 1.00 0.00 H new ATOM 538 N THR A 39 -4.608 -11.339 -1.828 1.00 0.00 N ATOM 539 CA THR A 39 -5.841 -10.575 -1.980 1.00 0.00 C ATOM 540 C THR A 39 -7.029 -11.501 -2.220 1.00 0.00 C ATOM 541 O THR A 39 -6.886 -12.724 -2.215 1.00 0.00 O ATOM 542 CB THR A 39 -5.711 -9.582 -3.135 1.00 0.00 C ATOM 543 OG1 THR A 39 -4.838 -10.082 -4.131 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.189 -8.228 -2.706 1.00 0.00 C ATOM 0 H THR A 39 -4.559 -12.179 -2.404 1.00 0.00 H new ATOM 0 HA THR A 39 -6.014 -10.025 -1.055 1.00 0.00 H new ATOM 0 HB THR A 39 -6.722 -9.457 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.049 -9.505 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.121 -7.572 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.868 -7.792 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.201 -8.343 -2.261 1.00 0.00 H new ATOM 552 N GLU A 40 -8.200 -10.911 -2.430 1.00 0.00 N ATOM 553 CA GLU A 40 -9.413 -11.682 -2.673 1.00 0.00 C ATOM 554 C GLU A 40 -9.600 -11.946 -4.164 1.00 0.00 C ATOM 555 O GLU A 40 -10.150 -12.974 -4.558 1.00 0.00 O ATOM 556 CB GLU A 40 -10.633 -10.945 -2.115 1.00 0.00 C ATOM 557 CG GLU A 40 -11.619 -11.856 -1.400 1.00 0.00 C ATOM 558 CD GLU A 40 -12.612 -12.497 -2.350 1.00 0.00 C ATOM 559 OE1 GLU A 40 -12.318 -13.596 -2.864 1.00 0.00 O ATOM 560 OE2 GLU A 40 -13.685 -11.899 -2.579 1.00 0.00 O ATOM 0 H GLU A 40 -8.335 -9.900 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.313 -12.640 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.296 -10.173 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.146 -10.438 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.071 -12.636 -0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.160 -11.282 -0.648 1.00 0.00 H new ATOM 567 N PHE A 41 -9.140 -11.010 -4.987 1.00 0.00 N ATOM 568 CA PHE A 41 -9.256 -11.142 -6.435 1.00 0.00 C ATOM 569 C PHE A 41 -7.908 -11.486 -7.061 1.00 0.00 C ATOM 570 O PHE A 41 -7.626 -11.105 -8.197 1.00 0.00 O ATOM 571 CB PHE A 41 -9.798 -9.847 -7.043 1.00 0.00 C ATOM 572 CG PHE A 41 -8.972 -8.636 -6.712 1.00 0.00 C ATOM 573 CD1 PHE A 41 -9.195 -7.928 -5.543 1.00 0.00 C ATOM 574 CD2 PHE A 41 -7.971 -8.209 -7.571 1.00 0.00 C ATOM 575 CE1 PHE A 41 -8.436 -6.814 -5.236 1.00 0.00 C ATOM 576 CE2 PHE A 41 -7.210 -7.096 -7.268 1.00 0.00 C ATOM 577 CZ PHE A 41 -7.442 -6.398 -6.100 1.00 0.00 C ATOM 0 H PHE A 41 -8.684 -10.152 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.951 -11.954 -6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.848 -9.957 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.817 -9.689 -6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.970 -8.250 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.784 -8.752 -8.486 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.620 -6.270 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.434 -6.772 -7.945 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.847 -5.528 -5.862 1.00 0.00 H new ATOM 587 N ALA A 42 -7.081 -12.208 -6.313 1.00 0.00 N ATOM 588 CA ALA A 42 -5.764 -12.603 -6.795 1.00 0.00 C ATOM 589 C ALA A 42 -5.061 -13.511 -5.791 1.00 0.00 C ATOM 590 O ALA A 42 -5.417 -13.543 -4.613 1.00 0.00 O ATOM 591 CB ALA A 42 -4.915 -11.373 -7.080 1.00 0.00 C ATOM 0 H ALA A 42 -7.300 -12.531 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.897 -13.162 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.934 -11.683 -7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.403 -10.762 -7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.799 -10.791 -6.166 1.00 0.00 H new ATOM 597 N SER A 43 -4.061 -14.248 -6.266 1.00 0.00 N ATOM 598 CA SER A 43 -3.308 -15.157 -5.410 1.00 0.00 C ATOM 599 C SER A 43 -1.890 -14.643 -5.184 1.00 0.00 C ATOM 600 O SER A 43 -1.292 -14.884 -4.135 1.00 0.00 O ATOM 601 CB SER A 43 -3.263 -16.554 -6.030 1.00 0.00 C ATOM 602 OG SER A 43 -2.563 -16.544 -7.263 1.00 0.00 O ATOM 0 H SER A 43 -3.754 -14.233 -7.239 1.00 0.00 H new ATOM 0 HA SER A 43 -3.814 -15.210 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.780 -17.246 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.278 -16.918 -6.188 1.00 0.00 H new ATOM 0 HG SER A 43 -2.547 -17.449 -7.638 1.00 0.00 H new ATOM 608 N GLY A 44 -1.358 -13.933 -6.173 1.00 0.00 N ATOM 609 CA GLY A 44 -0.014 -13.398 -6.061 1.00 0.00 C ATOM 610 C GLY A 44 0.142 -12.462 -4.878 1.00 0.00 C ATOM 611 O GLY A 44 -0.691 -12.454 -3.972 1.00 0.00 O ATOM 0 H GLY A 44 -1.833 -13.719 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.694 -14.221 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.239 -12.865 -6.978 1.00 0.00 H new ATOM 615 N GLN A 45 1.212 -11.674 -4.887 1.00 0.00 N ATOM 616 CA GLN A 45 1.474 -10.731 -3.805 1.00 0.00 C ATOM 617 C GLN A 45 0.786 -9.396 -4.069 1.00 0.00 C ATOM 618 O GLN A 45 0.812 -8.883 -5.188 1.00 0.00 O ATOM 619 CB GLN A 45 2.980 -10.518 -3.640 1.00 0.00 C ATOM 620 CG GLN A 45 3.666 -11.617 -2.847 1.00 0.00 C ATOM 621 CD GLN A 45 4.404 -12.602 -3.734 1.00 0.00 C ATOM 622 OE1 GLN A 45 3.799 -13.499 -4.322 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.718 -12.439 -3.835 1.00 0.00 N ATOM 0 H GLN A 45 1.911 -11.669 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 45 1.070 -11.151 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.439 -10.452 -4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.151 -9.563 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.369 -11.169 -2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.923 -12.152 -2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.178 -11.682 -3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.267 -13.071 -4.418 1.00 0.00 H new ATOM 632 N TRP A 46 0.171 -8.838 -3.031 1.00 0.00 N ATOM 633 CA TRP A 46 -0.523 -7.561 -3.151 1.00 0.00 C ATOM 634 C TRP A 46 -0.355 -6.729 -1.884 1.00 0.00 C ATOM 635 O TRP A 46 0.110 -7.228 -0.859 1.00 0.00 O ATOM 636 CB TRP A 46 -2.010 -7.789 -3.432 1.00 0.00 C ATOM 637 CG TRP A 46 -2.273 -8.403 -4.773 1.00 0.00 C ATOM 638 CD1 TRP A 46 -1.994 -9.682 -5.158 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.868 -7.762 -5.907 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.380 -9.876 -6.463 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.919 -8.713 -6.945 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.365 -6.477 -6.147 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.445 -8.418 -8.200 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.886 -6.186 -7.394 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.922 -7.153 -8.406 1.00 0.00 C ATOM 0 H TRP A 46 0.139 -9.250 -2.098 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.082 -7.014 -3.984 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.424 -8.434 -2.657 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.535 -6.836 -3.367 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.537 -10.432 -4.530 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.281 -10.745 -6.987 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.342 -5.725 -5.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.475 -9.162 -8.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.272 -5.197 -7.591 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.335 -6.894 -9.370 1.00 0.00 H new ATOM 656 N VAL A 47 -0.737 -5.459 -1.962 1.00 0.00 N ATOM 657 CA VAL A 47 -0.629 -4.557 -0.821 1.00 0.00 C ATOM 658 C VAL A 47 -1.699 -3.472 -0.877 1.00 0.00 C ATOM 659 O VAL A 47 -1.978 -2.916 -1.940 1.00 0.00 O ATOM 660 CB VAL A 47 0.759 -3.892 -0.761 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.838 -4.931 -0.501 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.041 -3.127 -2.046 1.00 0.00 C ATOM 0 H VAL A 47 -1.124 -5.031 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.773 -5.160 0.075 1.00 0.00 H new ATOM 0 HB VAL A 47 0.766 -3.181 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.812 -4.443 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.643 -5.428 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.834 -5.668 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.026 -2.664 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.015 -3.814 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.285 -2.354 -2.183 1.00 0.00 H new ATOM 672 N GLY A 48 -2.292 -3.173 0.273 1.00 0.00 N ATOM 673 CA GLY A 48 -3.323 -2.154 0.334 1.00 0.00 C ATOM 674 C GLY A 48 -2.782 -0.805 0.762 1.00 0.00 C ATOM 675 O GLY A 48 -2.211 -0.673 1.844 1.00 0.00 O ATOM 0 H GLY A 48 -2.077 -3.618 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.794 -2.059 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.099 -2.468 1.032 1.00 0.00 H new ATOM 679 N VAL A 49 -2.959 0.199 -0.090 1.00 0.00 N ATOM 680 CA VAL A 49 -2.483 1.545 0.207 1.00 0.00 C ATOM 681 C VAL A 49 -3.605 2.568 0.059 1.00 0.00 C ATOM 682 O VAL A 49 -4.481 2.426 -0.794 1.00 0.00 O ATOM 683 CB VAL A 49 -1.315 1.945 -0.715 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.731 3.283 -0.290 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.242 0.864 -0.718 1.00 0.00 C ATOM 0 H VAL A 49 -3.428 0.106 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.134 1.537 1.240 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.698 2.049 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.092 3.548 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.503 4.051 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.363 3.211 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.575 1.164 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.138 0.726 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.670 -0.072 -1.076 1.00 0.00 H new ATOM 695 N GLU A 50 -3.573 3.598 0.899 1.00 0.00 N ATOM 696 CA GLU A 50 -4.587 4.645 0.864 1.00 0.00 C ATOM 697 C GLU A 50 -4.058 5.891 0.162 1.00 0.00 C ATOM 698 O GLU A 50 -3.171 6.575 0.675 1.00 0.00 O ATOM 699 CB GLU A 50 -5.038 4.996 2.283 1.00 0.00 C ATOM 700 CG GLU A 50 -6.519 5.326 2.387 1.00 0.00 C ATOM 701 CD GLU A 50 -6.769 6.745 2.862 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.908 7.290 3.582 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.828 7.308 2.514 1.00 0.00 O ATOM 0 H GLU A 50 -2.856 3.730 1.612 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.442 4.269 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.814 4.159 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.459 5.848 2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.988 5.185 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.996 4.627 3.075 1.00 0.00 H new ATOM 710 N LEU A 51 -4.607 6.182 -1.012 1.00 0.00 N ATOM 711 CA LEU A 51 -4.191 7.346 -1.785 1.00 0.00 C ATOM 712 C LEU A 51 -4.507 8.637 -1.036 1.00 0.00 C ATOM 713 O LEU A 51 -5.655 8.887 -0.667 1.00 0.00 O ATOM 714 CB LEU A 51 -4.882 7.353 -3.150 1.00 0.00 C ATOM 715 CG LEU A 51 -4.500 6.195 -4.074 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.679 5.800 -4.949 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.301 6.571 -4.930 1.00 0.00 C ATOM 0 H LEU A 51 -5.342 5.627 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.113 7.286 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.961 7.333 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.650 8.292 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.228 5.338 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.389 4.975 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.512 5.489 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.982 6.652 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.043 5.736 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.546 7.442 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.453 6.805 -4.286 1.00 0.00 H new ATOM 729 N ASP A 52 -3.483 9.454 -0.815 1.00 0.00 N ATOM 730 CA ASP A 52 -3.652 10.719 -0.112 1.00 0.00 C ATOM 731 C ASP A 52 -4.616 11.634 -0.860 1.00 0.00 C ATOM 732 O ASP A 52 -5.330 12.430 -0.253 1.00 0.00 O ATOM 733 CB ASP A 52 -2.300 11.414 0.063 1.00 0.00 C ATOM 734 CG ASP A 52 -1.378 10.659 0.999 1.00 0.00 C ATOM 735 OD1 ASP A 52 -1.829 10.284 2.102 1.00 0.00 O ATOM 736 OD2 ASP A 52 -0.204 10.443 0.630 1.00 0.00 O ATOM 0 H ASP A 52 -2.527 9.262 -1.113 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.073 10.506 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.820 11.518 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.460 12.421 0.449 1.00 0.00 H new ATOM 741 N GLU A 53 -4.629 11.513 -2.184 1.00 0.00 N ATOM 742 CA GLU A 53 -5.505 12.329 -3.017 1.00 0.00 C ATOM 743 C GLU A 53 -6.905 11.722 -3.094 1.00 0.00 C ATOM 744 O GLU A 53 -7.091 10.535 -2.824 1.00 0.00 O ATOM 745 CB GLU A 53 -4.918 12.473 -4.424 1.00 0.00 C ATOM 746 CG GLU A 53 -4.192 13.789 -4.647 1.00 0.00 C ATOM 747 CD GLU A 53 -4.379 14.326 -6.052 1.00 0.00 C ATOM 748 OE1 GLU A 53 -3.563 13.982 -6.933 1.00 0.00 O ATOM 749 OE2 GLU A 53 -5.341 15.092 -6.272 1.00 0.00 O ATOM 0 H GLU A 53 -4.043 10.858 -2.702 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.582 13.316 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.226 11.650 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.721 12.382 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.553 14.525 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.128 13.650 -4.453 1.00 0.00 H new ATOM 756 N PRO A 54 -7.911 12.532 -3.466 1.00 0.00 N ATOM 757 CA PRO A 54 -9.297 12.070 -3.578 1.00 0.00 C ATOM 758 C PRO A 54 -9.504 11.144 -4.772 1.00 0.00 C ATOM 759 O PRO A 54 -10.262 11.457 -5.691 1.00 0.00 O ATOM 760 CB PRO A 54 -10.089 13.365 -3.760 1.00 0.00 C ATOM 761 CG PRO A 54 -9.121 14.315 -4.376 1.00 0.00 C ATOM 762 CD PRO A 54 -7.775 13.962 -3.807 1.00 0.00 C ATOM 0 HA PRO A 54 -9.604 11.486 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.957 13.212 -4.402 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.460 13.740 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.122 14.223 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.385 15.347 -4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.977 14.128 -4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.540 14.564 -2.929 1.00 0.00 H new ATOM 770 N GLU A 55 -8.824 10.001 -4.753 1.00 0.00 N ATOM 771 CA GLU A 55 -8.934 9.030 -5.834 1.00 0.00 C ATOM 772 C GLU A 55 -8.556 7.633 -5.351 1.00 0.00 C ATOM 773 O GLU A 55 -7.838 7.480 -4.363 1.00 0.00 O ATOM 774 CB GLU A 55 -8.037 9.436 -7.006 1.00 0.00 C ATOM 775 CG GLU A 55 -8.638 9.125 -8.367 1.00 0.00 C ATOM 776 CD GLU A 55 -8.447 10.253 -9.361 1.00 0.00 C ATOM 777 OE1 GLU A 55 -9.228 11.226 -9.311 1.00 0.00 O ATOM 778 OE2 GLU A 55 -7.516 10.164 -10.189 1.00 0.00 O ATOM 0 H GLU A 55 -8.192 9.726 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.971 9.012 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.833 10.505 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.080 8.923 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.183 8.217 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.703 8.924 -8.252 1.00 0.00 H new ATOM 785 N GLY A 56 -9.044 6.617 -6.054 1.00 0.00 N ATOM 786 CA GLY A 56 -8.749 5.246 -5.681 1.00 0.00 C ATOM 787 C GLY A 56 -9.829 4.279 -6.122 1.00 0.00 C ATOM 788 O GLY A 56 -9.543 3.130 -6.461 1.00 0.00 O ATOM 0 H GLY A 56 -9.639 6.718 -6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.798 4.949 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.631 5.185 -4.599 1.00 0.00 H new ATOM 792 N LYS A 57 -11.074 4.743 -6.118 1.00 0.00 N ATOM 793 CA LYS A 57 -12.201 3.911 -6.521 1.00 0.00 C ATOM 794 C LYS A 57 -12.318 2.681 -5.625 1.00 0.00 C ATOM 795 O LYS A 57 -12.708 1.605 -6.079 1.00 0.00 O ATOM 796 CB LYS A 57 -12.050 3.480 -7.981 1.00 0.00 C ATOM 797 CG LYS A 57 -13.365 3.433 -8.740 1.00 0.00 C ATOM 798 CD LYS A 57 -13.406 2.268 -9.717 1.00 0.00 C ATOM 799 CE LYS A 57 -12.349 2.409 -10.800 1.00 0.00 C ATOM 800 NZ LYS A 57 -11.239 1.432 -10.624 1.00 0.00 N ATOM 0 H LYS A 57 -11.328 5.691 -5.840 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.111 4.502 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.373 4.169 -8.486 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.586 2.494 -8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.191 3.346 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.507 4.368 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.252 1.334 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.393 2.212 -10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.809 2.263 -11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.947 3.422 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.630 1.443 -11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.678 1.691 -9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.633 0.478 -10.494 1.00 0.00 H new ATOM 814 N ASN A 58 -11.979 2.850 -4.352 1.00 0.00 N ATOM 815 CA ASN A 58 -12.045 1.754 -3.392 1.00 0.00 C ATOM 816 C ASN A 58 -12.215 2.285 -1.972 1.00 0.00 C ATOM 817 O ASN A 58 -11.654 3.322 -1.614 1.00 0.00 O ATOM 818 CB ASN A 58 -10.783 0.894 -3.479 1.00 0.00 C ATOM 819 CG ASN A 58 -10.683 0.147 -4.795 1.00 0.00 C ATOM 820 OD1 ASN A 58 -10.357 0.729 -5.829 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.963 -1.150 -4.761 1.00 0.00 N ATOM 0 H ASN A 58 -11.656 3.735 -3.961 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.912 1.140 -3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.905 1.528 -3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -10.777 0.179 -2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.912 -1.705 -5.615 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.229 -1.591 -3.881 1.00 0.00 H new ATOM 828 N ASP A 59 -12.992 1.569 -1.166 1.00 0.00 N ATOM 829 CA ASP A 59 -13.236 1.969 0.215 1.00 0.00 C ATOM 830 C ASP A 59 -12.522 1.033 1.186 1.00 0.00 C ATOM 831 O ASP A 59 -13.021 0.758 2.277 1.00 0.00 O ATOM 832 CB ASP A 59 -14.738 1.977 0.508 1.00 0.00 C ATOM 833 CG ASP A 59 -15.421 0.698 0.062 1.00 0.00 C ATOM 834 OD1 ASP A 59 -14.974 -0.390 0.480 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.403 0.786 -0.705 1.00 0.00 O ATOM 0 H ASP A 59 -13.464 0.709 -1.445 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.841 2.976 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.896 2.116 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.199 2.827 0.004 1.00 0.00 H new ATOM 840 N GLY A 60 -11.352 0.551 0.782 1.00 0.00 N ATOM 841 CA GLY A 60 -10.589 -0.348 1.629 1.00 0.00 C ATOM 842 C GLY A 60 -11.321 -1.645 1.908 1.00 0.00 C ATOM 843 O GLY A 60 -11.119 -2.268 2.950 1.00 0.00 O ATOM 0 H GLY A 60 -10.918 0.766 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.634 -0.569 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.366 0.149 2.573 1.00 0.00 H new ATOM 847 N SER A 61 -12.176 -2.052 0.975 1.00 0.00 N ATOM 848 CA SER A 61 -12.943 -3.284 1.125 1.00 0.00 C ATOM 849 C SER A 61 -13.291 -3.877 -0.235 1.00 0.00 C ATOM 850 O SER A 61 -13.464 -3.152 -1.214 1.00 0.00 O ATOM 851 CB SER A 61 -14.221 -3.019 1.922 1.00 0.00 C ATOM 852 OG SER A 61 -14.776 -4.228 2.412 1.00 0.00 O ATOM 0 H SER A 61 -12.355 -1.547 0.107 1.00 0.00 H new ATOM 0 HA SER A 61 -12.328 -4.002 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.002 -2.352 2.755 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.949 -2.511 1.290 1.00 0.00 H new ATOM 0 HG SER A 61 -14.141 -4.961 2.269 1.00 0.00 H new ATOM 858 N VAL A 62 -13.391 -5.201 -0.289 1.00 0.00 N ATOM 859 CA VAL A 62 -13.719 -5.893 -1.531 1.00 0.00 C ATOM 860 C VAL A 62 -14.464 -7.194 -1.254 1.00 0.00 C ATOM 861 O VAL A 62 -13.935 -8.098 -0.607 1.00 0.00 O ATOM 862 CB VAL A 62 -12.454 -6.204 -2.352 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.826 -6.741 -3.725 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.580 -4.964 -2.475 1.00 0.00 C ATOM 0 H VAL A 62 -13.250 -5.816 0.512 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.360 -5.225 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.884 -6.973 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.919 -6.955 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.408 -7.656 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.419 -5.998 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.691 -5.202 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.140 -4.172 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.283 -4.628 -1.481 1.00 0.00 H new ATOM 874 N GLY A 63 -15.695 -7.282 -1.749 1.00 0.00 N ATOM 875 CA GLY A 63 -16.492 -8.478 -1.545 1.00 0.00 C ATOM 876 C GLY A 63 -16.792 -8.731 -0.081 1.00 0.00 C ATOM 877 O GLY A 63 -17.389 -7.891 0.593 1.00 0.00 O ATOM 0 H GLY A 63 -16.154 -6.547 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.429 -8.385 -2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -15.964 -9.338 -1.959 1.00 0.00 H new ATOM 881 N GLY A 64 -16.376 -9.892 0.414 1.00 0.00 N ATOM 882 CA GLY A 64 -16.611 -10.233 1.804 1.00 0.00 C ATOM 883 C GLY A 64 -15.367 -10.085 2.657 1.00 0.00 C ATOM 884 O GLY A 64 -15.198 -10.792 3.650 1.00 0.00 O ATOM 0 H GLY A 64 -15.880 -10.603 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.399 -9.594 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.970 -11.260 1.867 1.00 0.00 H new ATOM 888 N VAL A 65 -14.492 -9.162 2.268 1.00 0.00 N ATOM 889 CA VAL A 65 -13.256 -8.924 3.002 1.00 0.00 C ATOM 890 C VAL A 65 -13.023 -7.432 3.216 1.00 0.00 C ATOM 891 O VAL A 65 -13.474 -6.603 2.426 1.00 0.00 O ATOM 892 CB VAL A 65 -12.041 -9.521 2.269 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.797 -9.439 3.140 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.320 -10.958 1.857 1.00 0.00 C ATOM 0 H VAL A 65 -14.617 -8.567 1.449 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.364 -9.416 3.969 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.861 -8.937 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.949 -9.866 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.588 -8.396 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.961 -9.996 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.450 -11.364 1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.527 -11.557 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.183 -10.985 1.191 1.00 0.00 H new ATOM 904 N ARG A 66 -12.316 -7.097 4.291 1.00 0.00 N ATOM 905 CA ARG A 66 -12.022 -5.705 4.609 1.00 0.00 C ATOM 906 C ARG A 66 -10.523 -5.495 4.800 1.00 0.00 C ATOM 907 O ARG A 66 -9.800 -6.420 5.170 1.00 0.00 O ATOM 908 CB ARG A 66 -12.773 -5.280 5.872 1.00 0.00 C ATOM 909 CG ARG A 66 -13.278 -3.846 5.825 1.00 0.00 C ATOM 910 CD ARG A 66 -13.764 -3.382 7.190 1.00 0.00 C ATOM 911 NE ARG A 66 -15.216 -3.477 7.314 1.00 0.00 N ATOM 912 CZ ARG A 66 -16.065 -2.589 6.801 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.610 -1.539 6.128 1.00 0.00 N ATOM 914 NH2 ARG A 66 -17.370 -2.750 6.960 1.00 0.00 N ATOM 0 H ARG A 66 -11.936 -7.771 4.956 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.353 -5.089 3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.619 -5.950 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.115 -5.397 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.480 -3.189 5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.090 -3.769 5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.293 -3.985 7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.453 -2.350 7.355 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.603 -4.271 7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.606 -1.410 6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.264 -0.861 5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.725 -3.555 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.020 -2.069 6.567 1.00 0.00 H new ATOM 928 N TYR A 67 -10.064 -4.274 4.545 1.00 0.00 N ATOM 929 CA TYR A 67 -8.651 -3.944 4.688 1.00 0.00 C ATOM 930 C TYR A 67 -8.465 -2.717 5.575 1.00 0.00 C ATOM 931 O TYR A 67 -7.608 -2.701 6.458 1.00 0.00 O ATOM 932 CB TYR A 67 -8.022 -3.695 3.316 1.00 0.00 C ATOM 933 CG TYR A 67 -8.185 -4.851 2.357 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.321 -4.968 1.565 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.203 -5.826 2.242 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.473 -6.024 0.688 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.346 -6.886 1.366 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.483 -6.980 0.592 1.00 0.00 C ATOM 939 OH TYR A 67 -8.632 -8.033 -0.282 1.00 0.00 O ATOM 0 H TYR A 67 -10.650 -3.497 4.238 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.153 -4.791 5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.470 -2.804 2.877 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.960 -3.488 3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.098 -4.221 1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.312 -5.755 2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.362 -6.101 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.572 -7.635 1.289 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.846 -8.616 -0.229 1.00 0.00 H new ATOM 949 N PHE A 68 -9.274 -1.691 5.335 1.00 0.00 N ATOM 950 CA PHE A 68 -9.199 -0.460 6.112 1.00 0.00 C ATOM 951 C PHE A 68 -10.365 0.467 5.778 1.00 0.00 C ATOM 952 O PHE A 68 -11.053 0.277 4.776 1.00 0.00 O ATOM 953 CB PHE A 68 -7.873 0.254 5.846 1.00 0.00 C ATOM 954 CG PHE A 68 -7.589 0.468 4.387 1.00 0.00 C ATOM 955 CD1 PHE A 68 -8.205 1.495 3.690 1.00 0.00 C ATOM 956 CD2 PHE A 68 -6.705 -0.360 3.712 1.00 0.00 C ATOM 957 CE1 PHE A 68 -7.944 1.693 2.348 1.00 0.00 C ATOM 958 CE2 PHE A 68 -6.441 -0.166 2.369 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.062 0.861 1.686 1.00 0.00 C ATOM 0 H PHE A 68 -9.990 -1.688 4.608 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.258 -0.722 7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.882 1.220 6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.062 -0.328 6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.897 2.148 4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.217 -1.165 4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.429 2.498 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.750 -0.817 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.859 1.013 0.636 1.00 0.00 H new ATOM 969 N ILE A 69 -10.577 1.468 6.625 1.00 0.00 N ATOM 970 CA ILE A 69 -11.658 2.425 6.419 1.00 0.00 C ATOM 971 C ILE A 69 -11.119 3.762 5.924 1.00 0.00 C ATOM 972 O ILE A 69 -10.190 4.322 6.505 1.00 0.00 O ATOM 973 CB ILE A 69 -12.458 2.655 7.716 1.00 0.00 C ATOM 974 CG1 ILE A 69 -11.515 2.988 8.872 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.297 1.428 8.045 1.00 0.00 C ATOM 976 CD1 ILE A 69 -12.233 3.383 10.144 1.00 0.00 C ATOM 0 H ILE A 69 -10.016 1.638 7.460 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.319 2.000 5.664 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.129 3.501 7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.883 2.124 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.855 3.801 8.569 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.856 1.605 8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.992 1.233 7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.644 0.566 8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.501 3.605 10.921 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -12.844 4.266 9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.872 2.563 10.471 1.00 0.00 H new ATOM 988 N CYS A 70 -11.709 4.269 4.847 1.00 0.00 N ATOM 989 CA CYS A 70 -11.287 5.541 4.272 1.00 0.00 C ATOM 990 C CYS A 70 -12.448 6.226 3.554 1.00 0.00 C ATOM 991 O CYS A 70 -13.441 5.585 3.212 1.00 0.00 O ATOM 992 CB CYS A 70 -10.127 5.323 3.297 1.00 0.00 C ATOM 993 SG CYS A 70 -10.508 4.189 1.941 1.00 0.00 S ATOM 0 H CYS A 70 -12.481 3.819 4.355 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.954 6.187 5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.831 6.285 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.270 4.938 3.849 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.994 4.859 0.938 1.00 0.00 H new ATOM 999 N PRO A 71 -12.337 7.545 3.314 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.383 8.313 2.632 1.00 0.00 C ATOM 1001 C PRO A 71 -13.806 7.668 1.314 1.00 0.00 C ATOM 1002 O PRO A 71 -13.145 6.755 0.822 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.719 9.669 2.378 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.679 9.785 3.437 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.184 8.387 3.686 1.00 0.00 C ATOM 0 HA PRO A 71 -14.296 8.377 3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.277 9.713 1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.442 10.482 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.866 10.436 3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.095 10.220 4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.307 8.157 3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.899 8.241 4.728 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.918 8.138 0.722 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.425 7.601 -0.545 1.00 0.00 C ATOM 1015 C PRO A 72 -14.380 7.660 -1.654 1.00 0.00 C ATOM 1016 O PRO A 72 -13.972 8.741 -2.079 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.620 8.505 -0.881 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.469 9.703 -0.003 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.767 9.223 1.233 1.00 0.00 C ATOM 0 HA PRO A 72 -15.693 6.548 -0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.616 8.786 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.564 7.995 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.892 10.482 -0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.440 10.133 0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.178 10.014 1.697 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.470 8.867 1.986 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.950 6.491 -2.118 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.952 6.406 -3.177 1.00 0.00 C ATOM 1029 C LYS A 73 -11.632 7.025 -2.731 1.00 0.00 C ATOM 1030 O LYS A 73 -11.446 8.240 -2.807 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.455 7.106 -4.441 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.733 6.503 -5.003 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.356 7.402 -6.061 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.753 6.615 -7.299 1.00 0.00 C ATOM 1035 NZ LYS A 73 -16.247 7.503 -8.387 1.00 0.00 N ATOM 0 H LYS A 73 -14.278 5.588 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.783 5.352 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.627 8.159 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.677 7.064 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.516 5.526 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.447 6.342 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.234 7.898 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.649 8.184 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.896 6.045 -7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.528 5.895 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.507 6.928 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.081 8.029 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.499 8.174 -8.654 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.716 6.181 -2.265 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.412 6.644 -1.806 1.00 0.00 C ATOM 1051 C GLN A 74 -8.402 5.502 -1.798 1.00 0.00 C ATOM 1052 O GLN A 74 -7.269 5.658 -2.256 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.526 7.251 -0.407 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.444 8.271 -0.096 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.906 9.330 0.886 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.085 9.683 0.926 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -7.977 9.845 1.682 1.00 0.00 N ATOM 0 H GLN A 74 -10.854 5.173 -2.196 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.062 7.410 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.502 7.726 -0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.482 6.451 0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.573 7.758 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.127 8.752 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.012 9.523 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.228 10.563 2.361 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.818 4.355 -1.274 1.00 0.00 N ATOM 1067 CA GLY A 75 -7.937 3.203 -1.216 1.00 0.00 C ATOM 1068 C GLY A 75 -7.565 2.687 -2.592 1.00 0.00 C ATOM 1069 O GLY A 75 -8.230 2.999 -3.579 1.00 0.00 O ATOM 0 H GLY A 75 -9.750 4.202 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.030 3.470 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.422 2.407 -0.652 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.499 1.896 -2.657 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.041 1.337 -3.924 1.00 0.00 C ATOM 1075 C LEU A 76 -5.153 0.119 -3.690 1.00 0.00 C ATOM 1076 O LEU A 76 -4.107 0.214 -3.046 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.276 2.393 -4.724 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.045 2.048 -6.196 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.334 2.197 -6.988 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -3.951 2.927 -6.782 1.00 0.00 C ATOM 0 H LEU A 76 -5.937 1.628 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.916 1.024 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.822 3.335 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.309 2.557 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.723 1.009 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.150 1.947 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.090 1.525 -6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.687 3.226 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.799 2.669 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.245 3.974 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.024 2.769 -6.231 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.576 -1.026 -4.217 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.818 -2.263 -4.065 1.00 0.00 C ATOM 1094 C PHE A 77 -3.996 -2.553 -5.317 1.00 0.00 C ATOM 1095 O PHE A 77 -4.500 -2.468 -6.437 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.762 -3.432 -3.779 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.739 -3.158 -2.672 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.325 -3.159 -1.350 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -8.071 -2.900 -2.954 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -7.222 -2.907 -0.329 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.972 -2.647 -1.937 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.547 -2.651 -0.623 1.00 0.00 C ATOM 0 H PHE A 77 -6.439 -1.123 -4.753 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.136 -2.142 -3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.313 -3.674 -4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.171 -4.311 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.290 -3.359 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.409 -2.897 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.887 -2.910 0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -10.007 -2.446 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 77 -9.250 -2.454 0.173 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.728 -2.896 -5.118 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.834 -3.199 -6.231 1.00 0.00 C ATOM 1114 C ALA A 78 -0.682 -4.089 -5.781 1.00 0.00 C ATOM 1115 O ALA A 78 -0.590 -4.462 -4.612 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.303 -1.912 -6.845 1.00 0.00 C ATOM 0 H ALA A 78 -2.296 -2.971 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.403 -3.741 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.637 -2.152 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.137 -1.312 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.754 -1.348 -6.091 1.00 0.00 H new ATOM 1122 N SER A 79 0.197 -4.429 -6.719 1.00 0.00 N ATOM 1123 CA SER A 79 1.345 -5.276 -6.419 1.00 0.00 C ATOM 1124 C SER A 79 2.527 -4.441 -5.937 1.00 0.00 C ATOM 1125 O SER A 79 2.655 -3.268 -6.288 1.00 0.00 O ATOM 1126 CB SER A 79 1.748 -6.082 -7.656 1.00 0.00 C ATOM 1127 OG SER A 79 0.653 -6.833 -8.153 1.00 0.00 O ATOM 0 H SER A 79 0.136 -4.131 -7.693 1.00 0.00 H new ATOM 0 HA SER A 79 1.059 -5.963 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.112 -5.408 -8.431 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.570 -6.753 -7.405 1.00 0.00 H new ATOM 0 HG SER A 79 0.935 -7.338 -8.944 1.00 0.00 H new ATOM 1133 N VAL A 80 3.386 -5.053 -5.129 1.00 0.00 N ATOM 1134 CA VAL A 80 4.557 -4.366 -4.598 1.00 0.00 C ATOM 1135 C VAL A 80 5.464 -3.877 -5.722 1.00 0.00 C ATOM 1136 O VAL A 80 6.143 -2.860 -5.587 1.00 0.00 O ATOM 1137 CB VAL A 80 5.368 -5.280 -3.661 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.636 -5.480 -2.343 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.649 -6.616 -4.331 1.00 0.00 C ATOM 0 H VAL A 80 3.293 -6.023 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 80 4.191 -3.510 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 80 6.322 -4.797 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.225 -6.129 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.492 -4.515 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.666 -5.940 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.223 -7.249 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.706 -7.106 -4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.219 -6.452 -5.245 1.00 0.00 H new ATOM 1149 N SER A 81 5.469 -4.609 -6.832 1.00 0.00 N ATOM 1150 CA SER A 81 6.292 -4.250 -7.981 1.00 0.00 C ATOM 1151 C SER A 81 5.913 -2.873 -8.514 1.00 0.00 C ATOM 1152 O SER A 81 6.754 -2.149 -9.047 1.00 0.00 O ATOM 1153 CB SER A 81 6.145 -5.297 -9.086 1.00 0.00 C ATOM 1154 OG SER A 81 7.173 -6.269 -9.011 1.00 0.00 O ATOM 0 H SER A 81 4.912 -5.454 -6.960 1.00 0.00 H new ATOM 0 HA SER A 81 7.332 -4.219 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.174 -5.784 -9.002 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.173 -4.808 -10.060 1.00 0.00 H new ATOM 0 HG SER A 81 7.054 -6.927 -9.728 1.00 0.00 H new ATOM 1160 N LYS A 82 4.641 -2.515 -8.367 1.00 0.00 N ATOM 1161 CA LYS A 82 4.151 -1.223 -8.835 1.00 0.00 C ATOM 1162 C LYS A 82 4.091 -0.214 -7.692 1.00 0.00 C ATOM 1163 O LYS A 82 3.285 0.717 -7.715 1.00 0.00 O ATOM 1164 CB LYS A 82 2.766 -1.379 -9.466 1.00 0.00 C ATOM 1165 CG LYS A 82 2.697 -2.471 -10.522 1.00 0.00 C ATOM 1166 CD LYS A 82 2.191 -1.934 -11.852 1.00 0.00 C ATOM 1167 CE LYS A 82 1.985 -3.052 -12.862 1.00 0.00 C ATOM 1168 NZ LYS A 82 1.163 -2.608 -14.021 1.00 0.00 N ATOM 0 H LYS A 82 3.931 -3.101 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 82 4.847 -0.850 -9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.041 -1.597 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.472 -0.431 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.686 -2.909 -10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.040 -3.270 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.251 -1.404 -11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.904 -1.211 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.954 -3.403 -13.217 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.499 -3.897 -12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.046 -3.399 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.229 -2.296 -13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.639 -1.818 -14.502 1.00 0.00 H new ATOM 1182 N ILE A 83 4.948 -0.403 -6.693 1.00 0.00 N ATOM 1183 CA ILE A 83 4.990 0.492 -5.544 1.00 0.00 C ATOM 1184 C ILE A 83 6.394 0.554 -4.949 1.00 0.00 C ATOM 1185 O ILE A 83 7.131 -0.431 -4.970 1.00 0.00 O ATOM 1186 CB ILE A 83 4.001 0.052 -4.448 1.00 0.00 C ATOM 1187 CG1 ILE A 83 2.624 -0.225 -5.055 1.00 0.00 C ATOM 1188 CG2 ILE A 83 3.905 1.116 -3.365 1.00 0.00 C ATOM 1189 CD1 ILE A 83 1.585 -0.644 -4.036 1.00 0.00 C ATOM 0 H ILE A 83 5.622 -1.168 -6.657 1.00 0.00 H new ATOM 0 HA ILE A 83 4.703 1.480 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 83 4.368 -0.868 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.276 0.671 -5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.719 -1.008 -5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.203 0.791 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.887 1.269 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.557 2.051 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.634 -0.823 -4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.911 -1.558 -3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.461 0.147 -3.296 1.00 0.00 H new ATOM 1201 N SER A 84 6.757 1.718 -4.420 1.00 0.00 N ATOM 1202 CA SER A 84 8.072 1.908 -3.821 1.00 0.00 C ATOM 1203 C SER A 84 7.949 2.394 -2.380 1.00 0.00 C ATOM 1204 O SER A 84 6.845 2.587 -1.871 1.00 0.00 O ATOM 1205 CB SER A 84 8.889 2.908 -4.640 1.00 0.00 C ATOM 1206 OG SER A 84 9.108 2.432 -5.957 1.00 0.00 O ATOM 0 H SER A 84 6.159 2.544 -4.394 1.00 0.00 H new ATOM 0 HA SER A 84 8.584 0.946 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.367 3.864 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.847 3.087 -4.151 1.00 0.00 H new ATOM 0 HG SER A 84 9.631 3.091 -6.460 1.00 0.00 H new ATOM 1212 N LYS A 85 9.090 2.591 -1.727 1.00 0.00 N ATOM 1213 CA LYS A 85 9.111 3.054 -0.345 1.00 0.00 C ATOM 1214 C LYS A 85 9.314 4.565 -0.282 1.00 0.00 C ATOM 1215 O LYS A 85 10.061 5.067 0.559 1.00 0.00 O ATOM 1216 CB LYS A 85 10.220 2.345 0.435 1.00 0.00 C ATOM 1217 CG LYS A 85 11.582 2.421 -0.238 1.00 0.00 C ATOM 1218 CD LYS A 85 12.683 2.745 0.760 1.00 0.00 C ATOM 1219 CE LYS A 85 13.452 1.497 1.164 1.00 0.00 C ATOM 1220 NZ LYS A 85 14.708 1.831 1.891 1.00 0.00 N ATOM 0 H LYS A 85 10.013 2.437 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 85 8.149 2.815 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.291 2.784 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.947 1.298 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.801 1.471 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.561 3.183 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.369 3.471 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.248 3.209 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.822 0.871 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.691 0.914 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.203 0.954 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.320 2.407 1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.478 2.366 2.753 1.00 0.00 H new ATOM 1234 N ALA A 86 8.643 5.285 -1.175 1.00 0.00 N ATOM 1235 CA ALA A 86 8.750 6.739 -1.219 1.00 0.00 C ATOM 1236 C ALA A 86 10.183 7.175 -1.498 1.00 0.00 C ATOM 1237 O ALA A 86 11.120 6.387 -1.370 1.00 0.00 O ATOM 1238 CB ALA A 86 8.256 7.344 0.086 1.00 0.00 C ATOM 0 H ALA A 86 8.020 4.886 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 86 8.123 7.101 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.342 8.430 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.213 7.069 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.859 6.968 0.913 1.00 0.00 H new