USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 433 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 13 TYR OH : rot -177:sc= -3.45! USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -1.2 F(o=-8.2!,f=-4.7) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -1.11 F(o=-2.2!,f=-1.1) USER MOD Single : A 17 ASN : amide:sc= -16! C(o=-16!,f=-22!) USER MOD Single : A 20 SER OG : rot -71:sc= 0.491 USER MOD Single : A 24 ASN : amide:sc= -3.56! C(o=-3.6!,f=-8.7!) USER MOD Single : A 29 ASN : amide:sc= -1.17! C(o=-1.2!,f=-3.8!) USER MOD Single : A 31 THR OG1 : rot 132:sc= -1.73! USER MOD Single : A 32 LYS NZ :NH3+ -131:sc= 0.448 (180deg=-0.191) USER MOD Single : A 33 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 38 THR OG1 : rot 96:sc= 0.499 USER MOD Single : A 39 SER OG : rot -63:sc= 0.0219 USER MOD Single : A 57 THR OG1 : rot -57:sc= -7.34! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -138:sc= -8.53! (180deg=-14.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 5.756 -1.867 10.004 1.00 0.00 N ATOM 105 CA GLU A 8 5.943 -0.901 8.929 1.00 0.00 C ATOM 106 C GLU A 8 4.599 -0.379 8.434 1.00 0.00 C ATOM 107 O GLU A 8 4.154 -0.722 7.338 1.00 0.00 O ATOM 108 CB GLU A 8 6.715 -1.537 7.772 1.00 0.00 C ATOM 109 CG GLU A 8 8.223 -1.389 7.893 1.00 0.00 C ATOM 110 CD GLU A 8 8.797 -0.411 6.887 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.605 -0.629 5.672 1.00 0.00 O ATOM 112 OE2 GLU A 8 9.438 0.571 7.313 1.00 0.00 O ATOM 0 HA GLU A 8 6.519 -0.062 9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.465 -2.597 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.388 -1.085 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.472 -1.056 8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.692 -2.363 7.755 1.00 0.00 H new ATOM 119 N LYS A 9 3.955 0.450 9.248 1.00 0.00 N ATOM 120 CA LYS A 9 2.660 1.015 8.890 1.00 0.00 C ATOM 121 C LYS A 9 2.780 2.502 8.565 1.00 0.00 C ATOM 122 O LYS A 9 3.322 3.280 9.349 1.00 0.00 O ATOM 123 CB LYS A 9 1.656 0.805 10.024 1.00 0.00 C ATOM 124 CG LYS A 9 1.725 1.869 11.107 1.00 0.00 C ATOM 125 CD LYS A 9 0.770 3.017 10.825 1.00 0.00 C ATOM 126 CE LYS A 9 1.366 4.350 11.243 1.00 0.00 C ATOM 127 NZ LYS A 9 1.000 4.708 12.641 1.00 0.00 N ATOM 0 H LYS A 9 4.308 0.745 10.158 1.00 0.00 H new ATOM 0 HA LYS A 9 2.303 0.499 7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.649 0.788 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.830 -0.172 10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.484 1.423 12.072 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.743 2.251 11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.532 3.041 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.166 2.852 11.358 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.451 4.307 11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.020 5.131 10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.426 5.624 12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.035 4.774 12.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.352 3.976 13.290 1.00 0.00 H new ATOM 141 N LYS A 10 2.262 2.883 7.403 1.00 0.00 N ATOM 142 CA LYS A 10 2.295 4.271 6.960 1.00 0.00 C ATOM 143 C LYS A 10 0.943 4.664 6.378 1.00 0.00 C ATOM 144 O LYS A 10 -0.033 3.927 6.508 1.00 0.00 O ATOM 145 CB LYS A 10 3.391 4.469 5.910 1.00 0.00 C ATOM 146 CG LYS A 10 4.478 5.443 6.334 1.00 0.00 C ATOM 147 CD LYS A 10 4.809 5.304 7.811 1.00 0.00 C ATOM 148 CE LYS A 10 6.153 5.933 8.142 1.00 0.00 C ATOM 149 NZ LYS A 10 6.006 7.138 9.003 1.00 0.00 N ATOM 0 H LYS A 10 1.811 2.245 6.747 1.00 0.00 H new ATOM 0 HA LYS A 10 2.513 4.906 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.847 3.504 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.936 4.826 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.376 5.268 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.154 6.463 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.028 5.777 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.823 4.249 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.782 5.200 8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.663 6.207 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.945 7.537 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.427 7.848 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.543 6.873 9.896 1.00 0.00 H new ATOM 163 N GLU A 11 0.889 5.822 5.732 1.00 0.00 N ATOM 164 CA GLU A 11 -0.351 6.294 5.131 1.00 0.00 C ATOM 165 C GLU A 11 -0.563 5.652 3.765 1.00 0.00 C ATOM 166 O GLU A 11 0.325 5.680 2.913 1.00 0.00 O ATOM 167 CB GLU A 11 -0.333 7.818 4.996 1.00 0.00 C ATOM 168 CG GLU A 11 0.368 8.523 6.146 1.00 0.00 C ATOM 169 CD GLU A 11 -0.098 9.956 6.322 1.00 0.00 C ATOM 170 OE1 GLU A 11 -0.718 10.498 5.384 1.00 0.00 O ATOM 171 OE2 GLU A 11 0.159 10.535 7.398 1.00 0.00 O ATOM 0 H GLU A 11 1.685 6.448 5.611 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.176 6.008 5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.161 8.086 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.359 8.181 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.190 7.971 7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.444 8.513 5.972 1.00 0.00 H new ATOM 178 N CYS A 12 -1.745 5.081 3.558 1.00 0.00 N ATOM 179 CA CYS A 12 -2.065 4.439 2.289 1.00 0.00 C ATOM 180 C CYS A 12 -2.412 5.494 1.248 1.00 0.00 C ATOM 181 O CYS A 12 -2.630 6.656 1.587 1.00 0.00 O ATOM 182 CB CYS A 12 -3.224 3.458 2.468 1.00 0.00 C ATOM 183 SG CYS A 12 -3.643 2.511 0.970 1.00 0.00 S ATOM 0 H CYS A 12 -2.494 5.050 4.250 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.195 3.881 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.974 2.760 3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.106 4.011 2.793 1.00 0.00 H new ATOM 188 N TYR A 13 -2.442 5.103 -0.020 1.00 0.00 N ATOM 189 CA TYR A 13 -2.747 6.048 -1.083 1.00 0.00 C ATOM 190 C TYR A 13 -3.559 5.407 -2.199 1.00 0.00 C ATOM 191 O TYR A 13 -3.010 4.729 -3.067 1.00 0.00 O ATOM 192 CB TYR A 13 -1.456 6.628 -1.658 1.00 0.00 C ATOM 193 CG TYR A 13 -0.929 7.805 -0.879 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.455 7.655 0.416 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.915 9.066 -1.442 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.018 8.739 1.127 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.448 10.155 -0.741 1.00 0.00 C ATOM 198 CZ TYR A 13 0.017 9.987 0.544 1.00 0.00 C ATOM 199 OH TYR A 13 0.477 11.070 1.248 1.00 0.00 O ATOM 0 H TYR A 13 -2.261 4.149 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.348 6.845 -0.646 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.695 5.848 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.632 6.934 -2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.456 6.677 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.277 9.200 -2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.387 8.610 2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.446 11.134 -1.196 1.00 0.00 H new ATOM 0 HH TYR A 13 0.364 11.882 0.710 1.00 0.00 H new ATOM 209 N TYR A 14 -4.866 5.648 -2.190 1.00 0.00 N ATOM 210 CA TYR A 14 -5.733 5.112 -3.227 1.00 0.00 C ATOM 211 C TYR A 14 -5.504 5.883 -4.521 1.00 0.00 C ATOM 212 O TYR A 14 -5.481 5.301 -5.606 1.00 0.00 O ATOM 213 CB TYR A 14 -7.194 5.187 -2.799 1.00 0.00 C ATOM 214 CG TYR A 14 -7.560 4.170 -1.740 1.00 0.00 C ATOM 215 CD1 TYR A 14 -7.670 2.819 -2.050 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.792 4.563 -0.429 1.00 0.00 C ATOM 217 CE1 TYR A 14 -8.002 1.890 -1.081 1.00 0.00 C ATOM 218 CE2 TYR A 14 -8.125 3.641 0.546 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.229 2.306 0.214 1.00 0.00 C ATOM 220 OH TYR A 14 -8.559 1.384 1.182 1.00 0.00 O ATOM 0 H TYR A 14 -5.343 6.206 -1.482 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.492 4.062 -3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.404 6.187 -2.420 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.829 5.037 -3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.493 2.490 -3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.711 5.607 -0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.083 0.844 -1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.303 3.964 1.561 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.685 1.841 2.040 1.00 0.00 H new ATOM 230 N ASN A 15 -5.280 7.192 -4.394 1.00 0.00 N ATOM 231 CA ASN A 15 -4.989 8.022 -5.554 1.00 0.00 C ATOM 232 C ASN A 15 -3.581 7.675 -6.019 1.00 0.00 C ATOM 233 O ASN A 15 -3.353 6.569 -6.494 1.00 0.00 O ATOM 234 CB ASN A 15 -5.107 9.508 -5.206 1.00 0.00 C ATOM 235 CG ASN A 15 -6.540 10.001 -5.258 1.00 0.00 C ATOM 236 OD1 ASN A 15 -7.352 9.564 -4.302 1.00 0.00 O flip ATOM 237 ND2 ASN A 15 -6.914 10.765 -6.148 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.295 7.693 -3.506 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.707 7.830 -6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.703 9.678 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.500 10.090 -5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.256 11.076 -6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.882 11.087 -6.170 1.00 0.00 H new ATOM 244 N LEU A 16 -2.619 8.575 -5.837 1.00 0.00 N ATOM 245 CA LEU A 16 -1.248 8.250 -6.199 1.00 0.00 C ATOM 246 C LEU A 16 -0.227 9.010 -5.366 1.00 0.00 C ATOM 247 O LEU A 16 -0.482 9.357 -4.221 1.00 0.00 O ATOM 248 CB LEU A 16 -0.983 8.398 -7.690 1.00 0.00 C ATOM 249 CG LEU A 16 -0.321 7.156 -8.298 1.00 0.00 C ATOM 250 CD1 LEU A 16 0.872 6.714 -7.466 1.00 0.00 C ATOM 251 CD2 LEU A 16 -1.328 6.025 -8.396 1.00 0.00 C ATOM 0 H LEU A 16 -2.759 9.509 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.123 7.193 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.924 8.592 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.343 9.265 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 16 0.032 7.413 -9.297 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.324 5.831 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.607 7.518 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.542 6.475 -6.455 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.848 5.147 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.700 5.781 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.160 6.333 -9.029 1.00 0.00 H new ATOM 263 N ASN A 17 0.951 9.229 -5.924 1.00 0.00 N ATOM 264 CA ASN A 17 2.009 9.888 -5.186 1.00 0.00 C ATOM 265 C ASN A 17 3.292 9.936 -5.995 1.00 0.00 C ATOM 266 O ASN A 17 4.111 10.840 -5.831 1.00 0.00 O ATOM 267 CB ASN A 17 2.282 9.081 -3.930 1.00 0.00 C ATOM 268 CG ASN A 17 2.708 7.667 -4.286 1.00 0.00 C ATOM 269 OD1 ASN A 17 3.902 7.366 -4.347 1.00 0.00 O ATOM 270 ND2 ASN A 17 1.742 6.793 -4.549 1.00 0.00 N ATOM 0 H ASN A 17 1.196 8.962 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 17 1.695 10.906 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.062 9.565 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.387 9.052 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.978 5.836 -4.812 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.765 7.079 -4.488 1.00 0.00 H new ATOM 277 N ASP A 18 3.483 8.922 -6.828 1.00 0.00 N ATOM 278 CA ASP A 18 4.692 8.819 -7.630 1.00 0.00 C ATOM 279 C ASP A 18 5.902 9.030 -6.733 1.00 0.00 C ATOM 280 O ASP A 18 6.962 9.465 -7.182 1.00 0.00 O ATOM 281 CB ASP A 18 4.683 9.851 -8.760 1.00 0.00 C ATOM 282 CG ASP A 18 5.675 9.514 -9.857 1.00 0.00 C ATOM 283 OD1 ASP A 18 5.400 8.581 -10.641 1.00 0.00 O ATOM 284 OD2 ASP A 18 6.727 10.182 -9.929 1.00 0.00 O ATOM 0 H ASP A 18 2.817 8.161 -6.965 1.00 0.00 H new ATOM 0 HA ASP A 18 4.739 7.828 -8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.681 9.912 -9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.916 10.835 -8.352 1.00 0.00 H new ATOM 289 N ALA A 19 5.718 8.728 -5.451 1.00 0.00 N ATOM 290 CA ALA A 19 6.771 8.891 -4.462 1.00 0.00 C ATOM 291 C ALA A 19 7.389 10.277 -4.568 1.00 0.00 C ATOM 292 O ALA A 19 8.596 10.449 -4.399 1.00 0.00 O ATOM 293 CB ALA A 19 7.828 7.811 -4.623 1.00 0.00 C ATOM 0 H ALA A 19 4.842 8.367 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 19 6.333 8.789 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.607 7.950 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.370 6.831 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.266 7.876 -5.619 1.00 0.00 H new ATOM 299 N SER A 20 6.545 11.268 -4.849 1.00 0.00 N ATOM 300 CA SER A 20 6.999 12.644 -4.978 1.00 0.00 C ATOM 301 C SER A 20 5.821 13.607 -5.108 1.00 0.00 C ATOM 302 O SER A 20 5.532 14.368 -4.185 1.00 0.00 O ATOM 303 CB SER A 20 7.936 12.781 -6.178 1.00 0.00 C ATOM 304 OG SER A 20 7.277 12.437 -7.384 1.00 0.00 O ATOM 0 H SER A 20 5.543 11.140 -4.991 1.00 0.00 H new ATOM 0 HA SER A 20 7.545 12.906 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.304 13.805 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.805 12.138 -6.039 1.00 0.00 H new ATOM 0 HG SER A 20 7.129 11.469 -7.411 1.00 0.00 H new ATOM 310 N LEU A 21 5.142 13.577 -6.253 1.00 0.00 N ATOM 311 CA LEU A 21 4.000 14.459 -6.475 1.00 0.00 C ATOM 312 C LEU A 21 3.089 14.470 -5.251 1.00 0.00 C ATOM 313 O LEU A 21 2.459 15.483 -4.945 1.00 0.00 O ATOM 314 CB LEU A 21 3.212 14.035 -7.718 1.00 0.00 C ATOM 315 CG LEU A 21 3.005 12.530 -7.869 1.00 0.00 C ATOM 316 CD1 LEU A 21 1.755 12.084 -7.126 1.00 0.00 C ATOM 317 CD2 LEU A 21 2.913 12.142 -9.336 1.00 0.00 C ATOM 0 H LEU A 21 5.360 12.958 -7.034 1.00 0.00 H new ATOM 0 HA LEU A 21 4.380 15.467 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.236 14.520 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.730 14.406 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 21 3.867 12.025 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.625 11.008 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.857 12.322 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.886 12.602 -7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.766 11.065 -9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.072 12.660 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.835 12.422 -9.845 1.00 0.00 H new ATOM 329 N CYS A 22 3.030 13.342 -4.546 1.00 0.00 N ATOM 330 CA CYS A 22 2.202 13.240 -3.348 1.00 0.00 C ATOM 331 C CYS A 22 0.722 13.377 -3.694 1.00 0.00 C ATOM 332 O CYS A 22 0.252 14.478 -3.984 1.00 0.00 O ATOM 333 CB CYS A 22 2.611 14.333 -2.358 1.00 0.00 C ATOM 334 SG CYS A 22 2.926 13.745 -0.666 1.00 0.00 S ATOM 0 H CYS A 22 3.542 12.492 -4.782 1.00 0.00 H new ATOM 0 HA CYS A 22 2.354 12.259 -2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.510 14.824 -2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.825 15.088 -2.326 1.00 0.00 H new ATOM 339 N ASP A 23 -0.018 12.266 -3.668 1.00 0.00 N ATOM 340 CA ASP A 23 -1.439 12.316 -3.989 1.00 0.00 C ATOM 341 C ASP A 23 -2.253 11.298 -3.191 1.00 0.00 C ATOM 342 O ASP A 23 -2.574 10.217 -3.686 1.00 0.00 O ATOM 343 CB ASP A 23 -1.651 12.092 -5.488 1.00 0.00 C ATOM 344 CG ASP A 23 -2.158 13.336 -6.191 1.00 0.00 C ATOM 345 OD1 ASP A 23 -1.775 14.450 -5.776 1.00 0.00 O ATOM 346 OD2 ASP A 23 -2.936 13.195 -7.158 1.00 0.00 O ATOM 0 H ASP A 23 0.338 11.340 -3.432 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.795 13.308 -3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.711 11.778 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.363 11.279 -5.634 1.00 0.00 H new ATOM 351 N ASN A 24 -2.603 11.663 -1.960 1.00 0.00 N ATOM 352 CA ASN A 24 -3.396 10.794 -1.092 1.00 0.00 C ATOM 353 C ASN A 24 -4.879 10.906 -1.415 1.00 0.00 C ATOM 354 O ASN A 24 -5.403 10.162 -2.244 1.00 0.00 O ATOM 355 CB ASN A 24 -3.160 11.152 0.379 1.00 0.00 C ATOM 356 CG ASN A 24 -4.179 10.509 1.299 1.00 0.00 C ATOM 357 OD1 ASN A 24 -4.694 9.428 1.016 1.00 0.00 O ATOM 358 ND2 ASN A 24 -4.476 11.175 2.409 1.00 0.00 N ATOM 0 H ASN A 24 -2.349 12.557 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.079 9.766 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.159 10.835 0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.199 12.235 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.156 10.793 3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.025 12.069 2.604 1.00 0.00 H new ATOM 365 N VAL A 25 -5.554 11.837 -0.751 1.00 0.00 N ATOM 366 CA VAL A 25 -6.978 12.040 -0.967 1.00 0.00 C ATOM 367 C VAL A 25 -7.782 10.869 -0.411 1.00 0.00 C ATOM 368 O VAL A 25 -8.395 10.112 -1.164 1.00 0.00 O ATOM 369 CB VAL A 25 -7.302 12.205 -2.464 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.473 13.156 -2.657 1.00 0.00 C ATOM 371 CG2 VAL A 25 -6.079 12.693 -3.225 1.00 0.00 C ATOM 0 H VAL A 25 -5.137 12.461 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.254 12.955 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.586 11.231 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.686 13.259 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.351 12.760 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.222 14.132 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.327 12.803 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.761 13.656 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.270 11.970 -3.116 1.00 0.00 H new ATOM 381 N LEU A 26 -7.772 10.726 0.912 1.00 0.00 N ATOM 382 CA LEU A 26 -8.500 9.648 1.572 1.00 0.00 C ATOM 383 C LEU A 26 -7.677 8.363 1.597 1.00 0.00 C ATOM 384 O LEU A 26 -7.534 7.686 0.579 1.00 0.00 O ATOM 385 CB LEU A 26 -9.833 9.400 0.863 1.00 0.00 C ATOM 386 CG LEU A 26 -11.049 9.312 1.785 1.00 0.00 C ATOM 387 CD1 LEU A 26 -12.122 10.298 1.346 1.00 0.00 C ATOM 388 CD2 LEU A 26 -11.601 7.897 1.806 1.00 0.00 C ATOM 0 H LEU A 26 -7.267 11.344 1.547 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.691 9.951 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.999 10.202 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.758 8.472 0.296 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.735 9.572 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.981 10.222 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.722 11.311 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.433 10.068 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.466 7.854 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.900 7.608 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.834 7.212 2.167 1.00 0.00 H new ATOM 400 N ALA A 27 -7.141 8.034 2.769 1.00 0.00 N ATOM 401 CA ALA A 27 -6.337 6.832 2.930 1.00 0.00 C ATOM 402 C ALA A 27 -5.881 6.668 4.375 1.00 0.00 C ATOM 403 O ALA A 27 -5.289 7.576 4.958 1.00 0.00 O ATOM 404 CB ALA A 27 -5.138 6.876 1.997 1.00 0.00 C ATOM 0 H ALA A 27 -7.251 8.585 3.620 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.954 5.971 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.543 5.972 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.482 6.940 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.527 7.748 2.230 1.00 0.00 H new ATOM 410 N PRO A 28 -6.161 5.502 4.974 1.00 0.00 N ATOM 411 CA PRO A 28 -5.789 5.211 6.361 1.00 0.00 C ATOM 412 C PRO A 28 -4.318 4.839 6.504 1.00 0.00 C ATOM 413 O PRO A 28 -3.662 4.474 5.528 1.00 0.00 O ATOM 414 CB PRO A 28 -6.672 4.013 6.702 1.00 0.00 C ATOM 415 CG PRO A 28 -6.834 3.301 5.404 1.00 0.00 C ATOM 416 CD PRO A 28 -6.872 4.372 4.346 1.00 0.00 C ATOM 0 HA PRO A 28 -5.927 6.073 7.014 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.205 3.374 7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.634 4.329 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.008 2.611 5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.750 2.710 5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.380 4.048 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.895 4.639 4.081 1.00 0.00 H new ATOM 424 N ASN A 29 -3.810 4.922 7.729 1.00 0.00 N ATOM 425 CA ASN A 29 -2.420 4.581 8.004 1.00 0.00 C ATOM 426 C ASN A 29 -2.300 3.105 8.367 1.00 0.00 C ATOM 427 O ASN A 29 -2.636 2.701 9.480 1.00 0.00 O ATOM 428 CB ASN A 29 -1.873 5.446 9.141 1.00 0.00 C ATOM 429 CG ASN A 29 -2.480 6.835 9.153 1.00 0.00 C ATOM 430 OD1 ASN A 29 -3.059 7.281 8.163 1.00 0.00 O ATOM 431 ND2 ASN A 29 -2.350 7.528 10.278 1.00 0.00 N ATOM 0 H ASN A 29 -4.340 5.222 8.547 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.833 4.772 7.105 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.073 4.957 10.094 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.790 5.526 9.044 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.738 8.469 10.345 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.862 7.119 11.075 1.00 0.00 H new ATOM 438 N VAL A 30 -1.836 2.301 7.417 1.00 0.00 N ATOM 439 CA VAL A 30 -1.692 0.869 7.637 1.00 0.00 C ATOM 440 C VAL A 30 -0.394 0.340 7.037 1.00 0.00 C ATOM 441 O VAL A 30 0.461 1.110 6.602 1.00 0.00 O ATOM 442 CB VAL A 30 -2.882 0.097 7.029 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.179 0.853 7.266 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.673 -0.145 5.539 1.00 0.00 C ATOM 0 H VAL A 30 -1.554 2.617 6.489 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.671 0.712 8.715 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.945 -0.872 7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.009 0.296 6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.342 0.970 8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.118 1.836 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.526 -0.691 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.578 0.811 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.765 -0.729 5.389 1.00 0.00 H new ATOM 454 N THR A 31 -0.264 -0.982 7.005 1.00 0.00 N ATOM 455 CA THR A 31 0.918 -1.618 6.442 1.00 0.00 C ATOM 456 C THR A 31 0.698 -1.904 4.962 1.00 0.00 C ATOM 457 O THR A 31 -0.342 -2.435 4.574 1.00 0.00 O ATOM 458 CB THR A 31 1.237 -2.914 7.189 1.00 0.00 C ATOM 459 OG1 THR A 31 0.049 -3.625 7.490 1.00 0.00 O ATOM 460 CG2 THR A 31 1.981 -2.690 8.487 1.00 0.00 C ATOM 0 H THR A 31 -0.963 -1.633 7.363 1.00 0.00 H new ATOM 0 HA THR A 31 1.765 -0.941 6.551 1.00 0.00 H new ATOM 0 HB THR A 31 1.878 -3.484 6.517 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.156 -4.565 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.175 -3.650 8.965 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.927 -2.189 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.378 -2.070 9.150 1.00 0.00 H new ATOM 468 N LYS A 32 1.673 -1.541 4.137 1.00 0.00 N ATOM 469 CA LYS A 32 1.569 -1.751 2.699 1.00 0.00 C ATOM 470 C LYS A 32 0.855 -3.064 2.391 1.00 0.00 C ATOM 471 O LYS A 32 0.144 -3.177 1.393 1.00 0.00 O ATOM 472 CB LYS A 32 2.958 -1.730 2.053 1.00 0.00 C ATOM 473 CG LYS A 32 3.719 -3.038 2.178 1.00 0.00 C ATOM 474 CD LYS A 32 4.583 -3.058 3.428 1.00 0.00 C ATOM 475 CE LYS A 32 5.962 -2.473 3.161 1.00 0.00 C ATOM 476 NZ LYS A 32 6.877 -2.656 4.321 1.00 0.00 N ATOM 0 H LYS A 32 2.542 -1.101 4.439 1.00 0.00 H new ATOM 0 HA LYS A 32 0.978 -0.937 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.852 -1.483 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.547 -0.934 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.015 -3.869 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.346 -3.182 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.093 -2.491 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.684 -4.083 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.393 -2.948 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.868 -1.410 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.338 -1.751 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.332 -2.981 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.601 -3.364 4.084 1.00 0.00 H new ATOM 490 N GLN A 33 1.045 -4.053 3.257 1.00 0.00 N ATOM 491 CA GLN A 33 0.413 -5.354 3.076 1.00 0.00 C ATOM 492 C GLN A 33 -1.104 -5.216 3.014 1.00 0.00 C ATOM 493 O GLN A 33 -1.749 -5.753 2.115 1.00 0.00 O ATOM 494 CB GLN A 33 0.808 -6.300 4.210 1.00 0.00 C ATOM 495 CG GLN A 33 2.309 -6.413 4.407 1.00 0.00 C ATOM 496 CD GLN A 33 2.758 -7.839 4.666 1.00 0.00 C ATOM 497 OE1 GLN A 33 2.853 -8.273 5.814 1.00 0.00 O ATOM 498 NE2 GLN A 33 3.033 -8.575 3.595 1.00 0.00 N ATOM 0 H GLN A 33 1.630 -3.979 4.089 1.00 0.00 H new ATOM 0 HA GLN A 33 0.760 -5.771 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.353 -5.953 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.400 -7.290 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.818 -6.031 3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.610 -5.783 5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.940 -8.173 2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.337 -9.542 3.705 1.00 0.00 H new ATOM 507 N GLU A 34 -1.666 -4.490 3.974 1.00 0.00 N ATOM 508 CA GLU A 34 -3.108 -4.281 4.026 1.00 0.00 C ATOM 509 C GLU A 34 -3.546 -3.243 2.998 1.00 0.00 C ATOM 510 O GLU A 34 -4.410 -3.506 2.163 1.00 0.00 O ATOM 511 CB GLU A 34 -3.531 -3.833 5.427 1.00 0.00 C ATOM 512 CG GLU A 34 -2.745 -4.501 6.544 1.00 0.00 C ATOM 513 CD GLU A 34 -2.869 -6.012 6.523 1.00 0.00 C ATOM 514 OE1 GLU A 34 -2.833 -6.596 5.418 1.00 0.00 O ATOM 515 OE2 GLU A 34 -3.002 -6.613 7.609 1.00 0.00 O ATOM 0 H GLU A 34 -1.146 -4.037 4.726 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.594 -5.228 3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.411 -2.753 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.591 -4.046 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.694 -4.225 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.096 -4.125 7.505 1.00 0.00 H new ATOM 522 N CYS A 35 -2.946 -2.060 3.067 1.00 0.00 N ATOM 523 CA CYS A 35 -3.274 -0.980 2.144 1.00 0.00 C ATOM 524 C CYS A 35 -3.322 -1.482 0.702 1.00 0.00 C ATOM 525 O CYS A 35 -4.372 -1.457 0.060 1.00 0.00 O ATOM 526 CB CYS A 35 -2.254 0.155 2.275 1.00 0.00 C ATOM 527 SG CYS A 35 -2.100 1.205 0.793 1.00 0.00 S ATOM 0 H CYS A 35 -2.229 -1.824 3.753 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.263 -0.602 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.533 0.782 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.279 -0.274 2.504 1.00 0.00 H new ATOM 532 N CYS A 36 -2.176 -1.927 0.199 1.00 0.00 N ATOM 533 CA CYS A 36 -2.083 -2.422 -1.170 1.00 0.00 C ATOM 534 C CYS A 36 -2.993 -3.626 -1.390 1.00 0.00 C ATOM 535 O CYS A 36 -3.677 -3.712 -2.409 1.00 0.00 O ATOM 536 CB CYS A 36 -0.634 -2.781 -1.504 1.00 0.00 C ATOM 537 SG CYS A 36 0.599 -1.627 -0.812 1.00 0.00 S ATOM 0 H CYS A 36 -1.299 -1.955 0.718 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.416 -1.628 -1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.425 -3.784 -1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.519 -2.811 -2.588 1.00 0.00 H new ATOM 542 N CYS A 37 -3.010 -4.555 -0.439 1.00 0.00 N ATOM 543 CA CYS A 37 -3.858 -5.733 -0.569 1.00 0.00 C ATOM 544 C CYS A 37 -5.265 -5.323 -0.991 1.00 0.00 C ATOM 545 O CYS A 37 -5.923 -6.023 -1.758 1.00 0.00 O ATOM 546 CB CYS A 37 -3.919 -6.519 0.742 1.00 0.00 C ATOM 547 SG CYS A 37 -5.178 -7.836 0.745 1.00 0.00 S ATOM 0 H CYS A 37 -2.456 -4.517 0.416 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.423 -6.377 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.942 -6.961 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.125 -5.829 1.560 1.00 0.00 H new ATOM 552 N THR A 38 -5.713 -4.174 -0.489 1.00 0.00 N ATOM 553 CA THR A 38 -7.036 -3.658 -0.818 1.00 0.00 C ATOM 554 C THR A 38 -7.106 -3.273 -2.292 1.00 0.00 C ATOM 555 O THR A 38 -8.183 -3.257 -2.886 1.00 0.00 O ATOM 556 CB THR A 38 -7.367 -2.442 0.051 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.380 -2.258 1.056 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.718 -2.538 0.730 1.00 0.00 C ATOM 0 H THR A 38 -5.177 -3.584 0.147 1.00 0.00 H new ATOM 0 HA THR A 38 -7.767 -4.442 -0.622 1.00 0.00 H new ATOM 0 HB THR A 38 -7.389 -1.594 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.721 -1.600 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.888 -1.644 1.329 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.499 -2.623 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.740 -3.417 1.375 1.00 0.00 H new ATOM 566 N SER A 39 -5.941 -2.965 -2.865 1.00 0.00 N ATOM 567 CA SER A 39 -5.833 -2.577 -4.270 1.00 0.00 C ATOM 568 C SER A 39 -5.843 -1.064 -4.422 1.00 0.00 C ATOM 569 O SER A 39 -6.675 -0.504 -5.136 1.00 0.00 O ATOM 570 CB SER A 39 -6.957 -3.200 -5.094 1.00 0.00 C ATOM 571 OG SER A 39 -6.683 -3.114 -6.482 1.00 0.00 O ATOM 0 H SER A 39 -5.050 -2.978 -2.369 1.00 0.00 H new ATOM 0 HA SER A 39 -4.881 -2.952 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.084 -4.245 -4.810 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.897 -2.693 -4.874 1.00 0.00 H new ATOM 0 HG SER A 39 -6.637 -2.172 -6.749 1.00 0.00 H new ATOM 577 N GLY A 40 -4.911 -0.409 -3.742 1.00 0.00 N ATOM 578 CA GLY A 40 -4.823 1.034 -3.811 1.00 0.00 C ATOM 579 C GLY A 40 -4.017 1.521 -5.001 1.00 0.00 C ATOM 580 O GLY A 40 -4.334 1.204 -6.148 1.00 0.00 O ATOM 0 H GLY A 40 -4.214 -0.853 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.828 1.452 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.370 1.409 -2.894 1.00 0.00 H new ATOM 584 N ALA A 41 -2.978 2.298 -4.723 1.00 0.00 N ATOM 585 CA ALA A 41 -2.119 2.845 -5.768 1.00 0.00 C ATOM 586 C ALA A 41 -0.706 3.090 -5.257 1.00 0.00 C ATOM 587 O ALA A 41 0.265 2.920 -5.993 1.00 0.00 O ATOM 588 CB ALA A 41 -2.712 4.126 -6.316 1.00 0.00 C ATOM 0 H ALA A 41 -2.708 2.566 -3.777 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.058 2.110 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.062 4.524 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.697 3.921 -6.736 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.805 4.857 -5.513 1.00 0.00 H new ATOM 594 N GLY A 42 -0.600 3.504 -3.997 1.00 0.00 N ATOM 595 CA GLY A 42 0.690 3.778 -3.403 1.00 0.00 C ATOM 596 C GLY A 42 0.643 3.671 -1.884 1.00 0.00 C ATOM 597 O GLY A 42 -0.401 3.898 -1.275 1.00 0.00 O ATOM 0 H GLY A 42 -1.394 3.655 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.428 3.078 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.017 4.778 -3.688 1.00 0.00 H new ATOM 601 N TRP A 43 1.767 3.319 -1.267 1.00 0.00 N ATOM 602 CA TRP A 43 1.832 3.192 0.189 1.00 0.00 C ATOM 603 C TRP A 43 3.167 3.701 0.729 1.00 0.00 C ATOM 604 O TRP A 43 4.228 3.200 0.356 1.00 0.00 O ATOM 605 CB TRP A 43 1.629 1.736 0.617 1.00 0.00 C ATOM 606 CG TRP A 43 1.677 1.538 2.104 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.616 1.515 2.965 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.848 1.336 2.905 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.056 1.308 4.249 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.421 1.195 4.239 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.217 1.258 2.626 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.312 0.980 5.288 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.099 1.045 3.671 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.643 0.908 4.986 1.00 0.00 C ATOM 0 H TRP A 43 2.643 3.117 -1.748 1.00 0.00 H new ATOM 0 HA TRP A 43 1.031 3.802 0.605 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.667 1.386 0.242 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.396 1.118 0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.417 1.641 2.678 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.462 1.248 5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.579 1.362 1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.963 0.874 6.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.158 0.984 3.467 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.357 0.742 5.779 1.00 0.00 H new ATOM 625 N GLY A 44 3.108 4.696 1.615 1.00 0.00 N ATOM 626 CA GLY A 44 4.319 5.246 2.198 1.00 0.00 C ATOM 627 C GLY A 44 4.049 6.398 3.144 1.00 0.00 C ATOM 628 O GLY A 44 2.961 6.507 3.711 1.00 0.00 O ATOM 0 H GLY A 44 2.243 5.129 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.848 4.458 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.979 5.586 1.399 1.00 0.00 H new ATOM 632 N ASP A 45 5.050 7.252 3.319 1.00 0.00 N ATOM 633 CA ASP A 45 4.929 8.401 4.210 1.00 0.00 C ATOM 634 C ASP A 45 4.829 9.707 3.425 1.00 0.00 C ATOM 635 O ASP A 45 5.843 10.318 3.087 1.00 0.00 O ATOM 636 CB ASP A 45 6.123 8.456 5.165 1.00 0.00 C ATOM 637 CG ASP A 45 7.451 8.397 4.436 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.887 7.281 4.086 1.00 0.00 O ATOM 639 OD2 ASP A 45 8.054 9.468 4.214 1.00 0.00 O ATOM 0 H ASP A 45 5.955 7.171 2.856 1.00 0.00 H new ATOM 0 HA ASP A 45 4.011 8.282 4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.074 9.374 5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.061 7.625 5.868 1.00 0.00 H new ATOM 644 N ASN A 46 3.595 10.124 3.150 1.00 0.00 N ATOM 645 CA ASN A 46 3.325 11.360 2.412 1.00 0.00 C ATOM 646 C ASN A 46 4.464 11.734 1.468 1.00 0.00 C ATOM 647 O ASN A 46 5.485 12.273 1.893 1.00 0.00 O ATOM 648 CB ASN A 46 3.063 12.511 3.381 1.00 0.00 C ATOM 649 CG ASN A 46 1.623 12.998 3.346 1.00 0.00 C ATOM 650 OD1 ASN A 46 1.080 13.211 2.148 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 0.999 13.182 4.392 1.00 0.00 N flip ATOM 0 H ASN A 46 2.755 9.618 3.431 1.00 0.00 H new ATOM 0 HA ASN A 46 2.438 11.179 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.308 12.190 4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.728 13.341 3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.448 13.008 5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.033 13.508 4.359 1.00 0.00 H new ATOM 658 N CYS A 47 4.261 11.466 0.182 1.00 0.00 N ATOM 659 CA CYS A 47 5.243 11.789 -0.850 1.00 0.00 C ATOM 660 C CYS A 47 6.277 10.680 -0.996 1.00 0.00 C ATOM 661 O CYS A 47 6.656 10.323 -2.110 1.00 0.00 O ATOM 662 CB CYS A 47 5.922 13.129 -0.553 1.00 0.00 C ATOM 663 SG CYS A 47 4.761 14.498 -0.211 1.00 0.00 S ATOM 0 H CYS A 47 3.415 11.021 -0.174 1.00 0.00 H new ATOM 0 HA CYS A 47 4.713 11.876 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.584 13.006 0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.548 13.402 -1.402 1.00 0.00 H new ATOM 668 N GLU A 48 6.709 10.115 0.124 1.00 0.00 N ATOM 669 CA GLU A 48 7.671 9.020 0.093 1.00 0.00 C ATOM 670 C GLU A 48 6.905 7.708 0.006 1.00 0.00 C ATOM 671 O GLU A 48 7.061 6.813 0.837 1.00 0.00 O ATOM 672 CB GLU A 48 8.557 9.039 1.340 1.00 0.00 C ATOM 673 CG GLU A 48 9.071 10.424 1.701 1.00 0.00 C ATOM 674 CD GLU A 48 9.957 11.016 0.622 1.00 0.00 C ATOM 675 OE1 GLU A 48 11.027 10.433 0.346 1.00 0.00 O ATOM 676 OE2 GLU A 48 9.581 12.061 0.053 1.00 0.00 O ATOM 0 H GLU A 48 6.411 10.394 1.059 1.00 0.00 H new ATOM 0 HA GLU A 48 8.321 9.130 -0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.993 8.639 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.407 8.375 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.224 11.088 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.630 10.368 2.635 1.00 0.00 H new ATOM 683 N ILE A 49 6.037 7.642 -0.995 1.00 0.00 N ATOM 684 CA ILE A 49 5.175 6.495 -1.222 1.00 0.00 C ATOM 685 C ILE A 49 5.696 5.584 -2.334 1.00 0.00 C ATOM 686 O ILE A 49 6.583 5.964 -3.100 1.00 0.00 O ATOM 687 CB ILE A 49 3.770 6.995 -1.587 1.00 0.00 C ATOM 688 CG1 ILE A 49 3.094 7.614 -0.371 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.921 5.876 -2.155 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.286 8.845 -0.711 1.00 0.00 C ATOM 0 H ILE A 49 5.912 8.391 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 49 5.153 5.906 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 49 3.874 7.760 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.442 6.874 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.853 7.876 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.932 6.260 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.394 5.481 -3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.826 5.081 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.828 9.241 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.940 9.600 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.507 8.582 -1.426 1.00 0.00 H new ATOM 702 N PHE A 50 5.128 4.378 -2.418 1.00 0.00 N ATOM 703 CA PHE A 50 5.523 3.409 -3.437 1.00 0.00 C ATOM 704 C PHE A 50 4.297 2.866 -4.169 1.00 0.00 C ATOM 705 O PHE A 50 3.363 2.362 -3.547 1.00 0.00 O ATOM 706 CB PHE A 50 6.304 2.256 -2.805 1.00 0.00 C ATOM 707 CG PHE A 50 6.842 2.571 -1.439 1.00 0.00 C ATOM 708 CD1 PHE A 50 7.842 3.516 -1.272 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.348 1.918 -0.323 1.00 0.00 C ATOM 710 CE1 PHE A 50 8.337 3.805 -0.015 1.00 0.00 C ATOM 711 CE2 PHE A 50 6.840 2.203 0.935 1.00 0.00 C ATOM 712 CZ PHE A 50 7.835 3.147 1.091 1.00 0.00 C ATOM 0 H PHE A 50 4.393 4.052 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 50 6.164 3.917 -4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.655 1.383 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.133 1.988 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.239 4.032 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.570 1.178 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.115 4.544 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.446 1.687 1.798 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.220 3.371 2.075 1.00 0.00 H new ATOM 722 N PRO A 51 4.288 2.973 -5.506 1.00 0.00 N ATOM 723 CA PRO A 51 3.173 2.504 -6.339 1.00 0.00 C ATOM 724 C PRO A 51 2.727 1.080 -6.009 1.00 0.00 C ATOM 725 O PRO A 51 3.372 0.110 -6.403 1.00 0.00 O ATOM 726 CB PRO A 51 3.748 2.565 -7.755 1.00 0.00 C ATOM 727 CG PRO A 51 4.773 3.642 -7.694 1.00 0.00 C ATOM 728 CD PRO A 51 5.367 3.572 -6.314 1.00 0.00 C ATOM 0 HA PRO A 51 2.280 3.110 -6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.190 1.612 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.975 2.794 -8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.538 3.496 -8.456 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.324 4.618 -7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.269 2.961 -6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.644 4.560 -5.945 1.00 0.00 H new ATOM 736 N CYS A 52 1.610 0.965 -5.294 1.00 0.00 N ATOM 737 CA CYS A 52 1.064 -0.334 -4.922 1.00 0.00 C ATOM 738 C CYS A 52 -0.456 -0.315 -4.883 1.00 0.00 C ATOM 739 O CYS A 52 -1.088 0.680 -4.482 1.00 0.00 O ATOM 740 CB CYS A 52 1.586 -0.776 -3.561 1.00 0.00 C ATOM 741 SG CYS A 52 0.658 -0.096 -2.145 1.00 0.00 S ATOM 0 H CYS A 52 1.065 1.760 -4.961 1.00 0.00 H new ATOM 0 HA CYS A 52 1.389 -1.040 -5.686 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.558 -1.864 -3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.631 -0.480 -3.472 1.00 0.00 H new ATOM 746 N PRO A 53 -1.064 -1.433 -5.288 1.00 0.00 N ATOM 747 CA PRO A 53 -0.352 -2.613 -5.763 1.00 0.00 C ATOM 748 C PRO A 53 -0.200 -2.623 -7.282 1.00 0.00 C ATOM 749 O PRO A 53 -0.335 -1.589 -7.936 1.00 0.00 O ATOM 750 CB PRO A 53 -1.273 -3.740 -5.314 1.00 0.00 C ATOM 751 CG PRO A 53 -2.649 -3.148 -5.312 1.00 0.00 C ATOM 752 CD PRO A 53 -2.502 -1.641 -5.332 1.00 0.00 C ATOM 0 HA PRO A 53 0.666 -2.678 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.212 -4.592 -5.992 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.999 -4.101 -4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.213 -3.489 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.201 -3.467 -4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.942 -1.208 -6.230 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.999 -1.179 -4.479 1.00 0.00 H new ATOM 760 N VAL A 54 0.074 -3.800 -7.835 1.00 0.00 N ATOM 761 CA VAL A 54 0.234 -3.951 -9.276 1.00 0.00 C ATOM 762 C VAL A 54 -0.784 -4.940 -9.840 1.00 0.00 C ATOM 763 O VAL A 54 -0.900 -5.101 -11.055 1.00 0.00 O ATOM 764 CB VAL A 54 1.656 -4.430 -9.633 1.00 0.00 C ATOM 765 CG1 VAL A 54 1.899 -4.322 -11.131 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.696 -3.635 -8.858 1.00 0.00 C ATOM 0 H VAL A 54 0.190 -4.664 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 54 0.067 -2.970 -9.721 1.00 0.00 H new ATOM 0 HB VAL A 54 1.747 -5.479 -9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.908 -4.665 -11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.175 -4.940 -11.662 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.788 -3.284 -11.444 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.693 -3.986 -9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.606 -2.578 -9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.535 -3.771 -7.789 1.00 0.00 H new ATOM 776 N LEU A 55 -1.518 -5.601 -8.949 1.00 0.00 N ATOM 777 CA LEU A 55 -2.527 -6.575 -9.354 1.00 0.00 C ATOM 778 C LEU A 55 -1.911 -7.672 -10.215 1.00 0.00 C ATOM 779 O LEU A 55 -1.302 -7.396 -11.248 1.00 0.00 O ATOM 780 CB LEU A 55 -3.661 -5.887 -10.117 1.00 0.00 C ATOM 781 CG LEU A 55 -5.000 -5.837 -9.378 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.779 -5.671 -7.883 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.866 -4.709 -9.921 1.00 0.00 C ATOM 0 H LEU A 55 -1.433 -5.479 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.934 -7.031 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.355 -4.868 -10.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.806 -6.403 -11.066 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.521 -6.780 -9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.742 -5.637 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.198 -6.513 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.238 -4.744 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.814 -4.688 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.351 -3.758 -9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.053 -4.873 -10.982 1.00 0.00 H new ATOM 795 N GLY A 56 -2.073 -8.918 -9.781 1.00 0.00 N ATOM 796 CA GLY A 56 -1.527 -10.039 -10.523 1.00 0.00 C ATOM 797 C GLY A 56 -0.106 -9.788 -10.986 1.00 0.00 C ATOM 798 O GLY A 56 0.265 -10.152 -12.103 1.00 0.00 O ATOM 0 H GLY A 56 -2.573 -9.171 -8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.550 -10.931 -9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.158 -10.240 -11.389 1.00 0.00 H new ATOM 802 N THR A 57 0.692 -9.165 -10.126 1.00 0.00 N ATOM 803 CA THR A 57 2.081 -8.866 -10.451 1.00 0.00 C ATOM 804 C THR A 57 2.992 -9.152 -9.263 1.00 0.00 C ATOM 805 O THR A 57 2.621 -9.881 -8.343 1.00 0.00 O ATOM 806 CB THR A 57 2.227 -7.404 -10.878 1.00 0.00 C ATOM 807 OG1 THR A 57 0.975 -6.742 -10.837 1.00 0.00 O ATOM 808 CG2 THR A 57 2.783 -7.246 -12.277 1.00 0.00 C ATOM 0 H THR A 57 0.400 -8.857 -9.198 1.00 0.00 H new ATOM 0 HA THR A 57 2.378 -9.510 -11.279 1.00 0.00 H new ATOM 0 HB THR A 57 2.929 -6.963 -10.171 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.334 -7.219 -11.405 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.862 -6.186 -12.520 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.770 -7.705 -12.330 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.118 -7.733 -12.990 1.00 0.00 H new ATOM 816 N ALA A 58 4.189 -8.576 -9.294 1.00 0.00 N ATOM 817 CA ALA A 58 5.162 -8.770 -8.225 1.00 0.00 C ATOM 818 C ALA A 58 4.707 -8.114 -6.926 1.00 0.00 C ATOM 819 O ALA A 58 4.415 -8.796 -5.945 1.00 0.00 O ATOM 820 CB ALA A 58 6.516 -8.220 -8.646 1.00 0.00 C ATOM 0 H ALA A 58 4.509 -7.970 -10.049 1.00 0.00 H new ATOM 0 HA ALA A 58 5.249 -9.841 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.236 -8.370 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.858 -8.741 -9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.426 -7.155 -8.859 1.00 0.00 H new ATOM 826 N GLU A 59 4.660 -6.787 -6.919 1.00 0.00 N ATOM 827 CA GLU A 59 4.251 -6.049 -5.730 1.00 0.00 C ATOM 828 C GLU A 59 3.088 -6.744 -5.022 1.00 0.00 C ATOM 829 O GLU A 59 3.290 -7.438 -4.026 1.00 0.00 O ATOM 830 CB GLU A 59 3.880 -4.608 -6.095 1.00 0.00 C ATOM 831 CG GLU A 59 4.019 -3.635 -4.936 1.00 0.00 C ATOM 832 CD GLU A 59 4.601 -2.302 -5.362 1.00 0.00 C ATOM 833 OE1 GLU A 59 4.453 -1.944 -6.550 1.00 0.00 O ATOM 834 OE2 GLU A 59 5.204 -1.618 -4.510 1.00 0.00 O ATOM 0 H GLU A 59 4.899 -6.202 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 59 5.095 -6.025 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.514 -4.275 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.852 -4.586 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.041 -3.472 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.655 -4.077 -4.169 1.00 0.00 H new ATOM 841 N PHE A 60 1.871 -6.554 -5.531 1.00 0.00 N ATOM 842 CA PHE A 60 0.692 -7.166 -4.929 1.00 0.00 C ATOM 843 C PHE A 60 0.996 -8.562 -4.396 1.00 0.00 C ATOM 844 O PHE A 60 0.994 -8.789 -3.188 1.00 0.00 O ATOM 845 CB PHE A 60 -0.450 -7.249 -5.937 1.00 0.00 C ATOM 846 CG PHE A 60 -1.743 -7.683 -5.310 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.375 -6.875 -4.381 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.318 -8.899 -5.638 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.556 -7.270 -3.787 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.503 -9.300 -5.050 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.121 -8.482 -4.122 1.00 0.00 C ATOM 0 H PHE A 60 1.678 -5.984 -6.355 1.00 0.00 H new ATOM 0 HA PHE A 60 0.393 -6.532 -4.094 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.587 -6.275 -6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.181 -7.949 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.938 -5.923 -4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.836 -9.541 -6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.037 -6.631 -3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.945 -10.249 -5.315 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.046 -8.793 -3.660 1.00 0.00 H new ATOM 861 N THR A 61 1.242 -9.498 -5.306 1.00 0.00 N ATOM 862 CA THR A 61 1.531 -10.875 -4.923 1.00 0.00 C ATOM 863 C THR A 61 2.322 -10.936 -3.619 1.00 0.00 C ATOM 864 O THR A 61 2.199 -11.891 -2.853 1.00 0.00 O ATOM 865 CB THR A 61 2.292 -11.593 -6.043 1.00 0.00 C ATOM 866 OG1 THR A 61 2.168 -12.997 -5.910 1.00 0.00 O ATOM 867 CG2 THR A 61 3.769 -11.266 -6.080 1.00 0.00 C ATOM 0 H THR A 61 1.247 -9.329 -6.312 1.00 0.00 H new ATOM 0 HA THR A 61 0.580 -11.383 -4.761 1.00 0.00 H new ATOM 0 HB THR A 61 1.839 -11.238 -6.968 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.659 -13.439 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.242 -11.810 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.901 -10.195 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.230 -11.557 -5.136 1.00 0.00 H new ATOM 875 N GLU A 62 3.136 -9.913 -3.370 1.00 0.00 N ATOM 876 CA GLU A 62 3.942 -9.859 -2.156 1.00 0.00 C ATOM 877 C GLU A 62 3.118 -9.390 -0.960 1.00 0.00 C ATOM 878 O GLU A 62 3.115 -10.028 0.092 1.00 0.00 O ATOM 879 CB GLU A 62 5.143 -8.933 -2.355 1.00 0.00 C ATOM 880 CG GLU A 62 6.069 -9.368 -3.479 1.00 0.00 C ATOM 881 CD GLU A 62 7.428 -9.816 -2.972 1.00 0.00 C ATOM 882 OE1 GLU A 62 8.223 -8.946 -2.561 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.694 -11.036 -2.987 1.00 0.00 O ATOM 0 H GLU A 62 3.254 -9.113 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 62 4.297 -10.869 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.783 -7.925 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.711 -8.884 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.604 -10.184 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.200 -8.542 -4.178 1.00 0.00 H new ATOM 890 N MET A 63 2.430 -8.264 -1.123 1.00 0.00 N ATOM 891 CA MET A 63 1.615 -7.704 -0.050 1.00 0.00 C ATOM 892 C MET A 63 0.357 -8.535 0.200 1.00 0.00 C ATOM 893 O MET A 63 0.022 -8.833 1.347 1.00 0.00 O ATOM 894 CB MET A 63 1.236 -6.255 -0.367 1.00 0.00 C ATOM 895 CG MET A 63 0.757 -6.033 -1.794 1.00 0.00 C ATOM 896 SD MET A 63 1.961 -5.132 -2.790 1.00 0.00 S ATOM 897 CE MET A 63 2.431 -3.826 -1.659 1.00 0.00 C ATOM 0 H MET A 63 2.421 -7.722 -1.987 1.00 0.00 H new ATOM 0 HA MET A 63 2.214 -7.726 0.861 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.452 -5.938 0.321 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.100 -5.617 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.552 -6.997 -2.260 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.183 -5.481 -1.777 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.504 -2.883 -2.202 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.680 -3.736 -0.874 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.396 -4.062 -1.211 1.00 0.00 H new ATOM 907 N CYS A 64 -0.340 -8.904 -0.871 1.00 0.00 N ATOM 908 CA CYS A 64 -1.557 -9.696 -0.747 1.00 0.00 C ATOM 909 C CYS A 64 -1.566 -10.851 -1.745 1.00 0.00 C ATOM 910 O CYS A 64 -2.189 -10.765 -2.804 1.00 0.00 O ATOM 911 CB CYS A 64 -2.792 -8.821 -0.959 1.00 0.00 C ATOM 912 SG CYS A 64 -4.283 -9.453 -0.113 1.00 0.00 S ATOM 0 H CYS A 64 -0.084 -8.668 -1.830 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.581 -10.109 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.580 -7.813 -0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.995 -8.744 -2.027 1.00 0.00 H new ATOM 917 N PRO A 65 -0.876 -11.953 -1.414 1.00 0.00 N ATOM 918 CA PRO A 65 -0.806 -13.131 -2.281 1.00 0.00 C ATOM 919 C PRO A 65 -2.102 -13.934 -2.266 1.00 0.00 C ATOM 920 O PRO A 65 -2.401 -14.668 -3.208 1.00 0.00 O ATOM 921 CB PRO A 65 0.334 -13.946 -1.671 1.00 0.00 C ATOM 922 CG PRO A 65 0.335 -13.572 -0.230 1.00 0.00 C ATOM 923 CD PRO A 65 -0.110 -12.134 -0.168 1.00 0.00 C ATOM 0 HA PRO A 65 -0.647 -12.864 -3.326 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.171 -15.016 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.288 -13.708 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.339 -14.213 0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.329 -13.691 0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.725 -11.942 0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.740 -11.453 -0.118 1.00 0.00 H new ATOM 931 N LYS A 66 -2.868 -13.787 -1.190 1.00 0.00 N ATOM 932 CA LYS A 66 -4.134 -14.496 -1.046 1.00 0.00 C ATOM 933 C LYS A 66 -5.126 -14.063 -2.120 1.00 0.00 C ATOM 934 O LYS A 66 -5.450 -14.831 -3.026 1.00 0.00 O ATOM 935 CB LYS A 66 -4.726 -14.242 0.341 1.00 0.00 C ATOM 936 CG LYS A 66 -4.955 -15.508 1.148 1.00 0.00 C ATOM 937 CD LYS A 66 -3.673 -15.980 1.817 1.00 0.00 C ATOM 938 CE LYS A 66 -3.958 -17.009 2.897 1.00 0.00 C ATOM 939 NZ LYS A 66 -4.183 -18.365 2.325 1.00 0.00 N ATOM 0 H LYS A 66 -2.633 -13.182 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.941 -15.562 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.058 -13.583 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.674 -13.715 0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.717 -15.325 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.337 -16.293 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.008 -16.410 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.153 -15.127 2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.122 -17.044 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.836 -16.705 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.374 -19.039 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.997 -18.338 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.335 -18.667 1.803 1.00 0.00 H new ATOM 953 N GLY A 67 -5.606 -12.829 -2.012 1.00 0.00 N ATOM 954 CA GLY A 67 -6.556 -12.312 -2.978 1.00 0.00 C ATOM 955 C GLY A 67 -6.640 -10.799 -2.956 1.00 0.00 C ATOM 956 O GLY A 67 -5.868 -10.138 -2.260 1.00 0.00 O ATOM 0 H GLY A 67 -5.353 -12.176 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.270 -12.642 -3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.541 -12.731 -2.774 1.00 0.00 H new ATOM 960 N LYS A 68 -7.578 -10.248 -3.719 1.00 0.00 N ATOM 961 CA LYS A 68 -7.758 -8.802 -3.784 1.00 0.00 C ATOM 962 C LYS A 68 -8.977 -8.366 -2.979 1.00 0.00 C ATOM 963 O LYS A 68 -10.019 -8.031 -3.543 1.00 0.00 O ATOM 964 CB LYS A 68 -7.906 -8.352 -5.238 1.00 0.00 C ATOM 965 CG LYS A 68 -8.266 -6.884 -5.389 1.00 0.00 C ATOM 966 CD LYS A 68 -9.663 -6.709 -5.964 1.00 0.00 C ATOM 967 CE LYS A 68 -9.784 -5.412 -6.747 1.00 0.00 C ATOM 968 NZ LYS A 68 -9.297 -5.559 -8.147 1.00 0.00 N ATOM 0 H LYS A 68 -8.225 -10.780 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.875 -8.332 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.972 -8.544 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.674 -8.957 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.207 -6.392 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.540 -6.395 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.898 -7.551 -6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.394 -6.717 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.825 -5.090 -6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.214 -4.631 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.397 -4.652 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.296 -5.841 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.858 -6.286 -8.635 1.00 0.00 H new ATOM 982 N GLY A 69 -8.840 -8.369 -1.656 1.00 0.00 N ATOM 983 CA GLY A 69 -9.939 -7.969 -0.797 1.00 0.00 C ATOM 984 C GLY A 69 -9.797 -8.497 0.617 1.00 0.00 C ATOM 985 O GLY A 69 -10.785 -8.859 1.255 1.00 0.00 O ATOM 0 H GLY A 69 -7.989 -8.641 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.997 -6.881 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.876 -8.328 -1.222 1.00 0.00 H new ATOM 989 N PHE A 70 -8.564 -8.534 1.108 1.00 0.00 N ATOM 990 CA PHE A 70 -8.289 -9.012 2.457 1.00 0.00 C ATOM 991 C PHE A 70 -8.227 -7.843 3.433 1.00 0.00 C ATOM 992 O PHE A 70 -7.699 -7.966 4.538 1.00 0.00 O ATOM 993 CB PHE A 70 -6.971 -9.788 2.484 1.00 0.00 C ATOM 994 CG PHE A 70 -7.004 -11.004 3.367 1.00 0.00 C ATOM 995 CD1 PHE A 70 -7.656 -12.155 2.957 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.382 -10.993 4.604 1.00 0.00 C ATOM 997 CE1 PHE A 70 -7.688 -13.275 3.766 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.410 -12.110 5.418 1.00 0.00 C ATOM 999 CZ PHE A 70 -7.064 -13.253 4.998 1.00 0.00 C ATOM 0 H PHE A 70 -7.737 -8.238 0.590 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.097 -9.678 2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.719 -10.094 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.176 -9.124 2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.145 -12.178 1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.870 -10.102 4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.200 -14.166 3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.921 -12.090 6.381 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.087 -14.127 5.632 1.00 0.00 H new