USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 773 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 91 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.4!) USER MOD Single : A 13 CYS SG : rot 22:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0648) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= -0.545 (180deg=-2.02!) USER MOD Single : A 32 HIS : no HD1:sc= -4.76! C(o=-4.8!,f=-5.3!) USER MOD Single : A 33 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.4!) USER MOD Single : A 39 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.93) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -128:sc= -0.791 (180deg=-2.62!) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= -0.111 (180deg=-0.519) USER MOD Single : A 55 ASN : amide:sc= 0.0043 X(o=0.0043,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.7!) USER MOD Single : A 69 SER OG : rot 180:sc=0.000419 USER MOD Single : A 79 ASN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 92 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.5!) USER MOD Single : A 96 GLN : amide:sc= -0.0287 X(o=-0.029,f=-0.49) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0449 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -61:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.354 12.123 -17.227 1.00 0.00 N ATOM 84 CA ALA A 9 10.917 11.476 -16.048 1.00 0.00 C ATOM 85 C ALA A 9 11.241 10.012 -16.327 1.00 0.00 C ATOM 86 O ALA A 9 10.805 9.451 -17.332 1.00 0.00 O ATOM 87 CB ALA A 9 9.956 11.591 -14.874 1.00 0.00 C ATOM 0 HA ALA A 9 11.847 11.985 -15.794 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.389 11.104 -14.000 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.778 12.643 -14.652 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.012 11.109 -15.128 1.00 0.00 H new ATOM 93 N ALA A 10 12.007 9.399 -15.431 1.00 0.00 N ATOM 94 CA ALA A 10 12.388 8.000 -15.581 1.00 0.00 C ATOM 95 C ALA A 10 11.657 7.121 -14.572 1.00 0.00 C ATOM 96 O ALA A 10 11.201 7.583 -13.526 1.00 0.00 O ATOM 97 CB ALA A 10 13.894 7.844 -15.427 1.00 0.00 C ATOM 0 H ALA A 10 12.376 9.849 -14.593 1.00 0.00 H new ATOM 0 HA ALA A 10 12.101 7.676 -16.581 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.165 6.794 -15.541 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.401 8.435 -16.190 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.197 8.191 -14.439 1.00 0.00 H new ATOM 103 N PRO A 11 11.541 5.824 -14.892 1.00 0.00 N ATOM 104 CA PRO A 11 10.865 4.853 -14.026 1.00 0.00 C ATOM 105 C PRO A 11 11.650 4.569 -12.750 1.00 0.00 C ATOM 106 O PRO A 11 12.843 4.266 -12.797 1.00 0.00 O ATOM 107 CB PRO A 11 10.786 3.596 -14.896 1.00 0.00 C ATOM 108 CG PRO A 11 11.915 3.731 -15.859 1.00 0.00 C ATOM 109 CD PRO A 11 12.060 5.205 -16.122 1.00 0.00 C ATOM 0 HA PRO A 11 9.894 5.216 -13.688 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.884 2.692 -14.295 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.829 3.532 -15.414 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.834 3.316 -15.444 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.708 3.188 -16.781 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.099 5.481 -16.303 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.491 5.515 -16.999 1.00 0.00 H new ATOM 117 N LEU A 12 10.975 4.670 -11.610 1.00 0.00 N ATOM 118 CA LEU A 12 11.609 4.423 -10.320 1.00 0.00 C ATOM 119 C LEU A 12 11.314 3.009 -9.830 1.00 0.00 C ATOM 120 O LEU A 12 10.266 2.441 -10.137 1.00 0.00 O ATOM 121 CB LEU A 12 11.126 5.444 -9.289 1.00 0.00 C ATOM 122 CG LEU A 12 9.748 5.183 -8.680 1.00 0.00 C ATOM 123 CD1 LEU A 12 9.859 4.239 -7.493 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.092 6.491 -8.264 1.00 0.00 C ATOM 0 H LEU A 12 9.988 4.921 -11.553 1.00 0.00 H new ATOM 0 HA LEU A 12 12.687 4.526 -10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.856 5.487 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.113 6.427 -9.760 1.00 0.00 H new ATOM 0 HG LEU A 12 9.122 4.710 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.868 4.065 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.286 3.291 -7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.502 4.683 -6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.112 6.286 -7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.716 6.992 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.977 7.134 -9.137 1.00 0.00 H new ATOM 136 N CYS A 13 12.244 2.448 -9.065 1.00 0.00 N ATOM 137 CA CYS A 13 12.084 1.101 -8.530 1.00 0.00 C ATOM 138 C CYS A 13 12.043 1.122 -7.006 1.00 0.00 C ATOM 139 O CYS A 13 12.842 1.802 -6.362 1.00 0.00 O ATOM 140 CB CYS A 13 13.223 0.200 -9.009 1.00 0.00 C ATOM 141 SG CYS A 13 12.875 -1.569 -8.870 1.00 0.00 S ATOM 0 H CYS A 13 13.117 2.905 -8.801 1.00 0.00 H new ATOM 0 HA CYS A 13 11.137 0.703 -8.895 1.00 0.00 H new ATOM 0 HB2 CYS A 13 13.444 0.435 -10.050 1.00 0.00 H new ATOM 0 HB3 CYS A 13 14.120 0.429 -8.433 1.00 0.00 H new ATOM 0 HG CYS A 13 11.589 -1.757 -8.833 1.00 0.00 H new ATOM 147 N VAL A 14 11.105 0.374 -6.433 1.00 0.00 N ATOM 148 CA VAL A 14 10.959 0.307 -4.984 1.00 0.00 C ATOM 149 C VAL A 14 10.777 -1.132 -4.516 1.00 0.00 C ATOM 150 O VAL A 14 10.272 -1.978 -5.255 1.00 0.00 O ATOM 151 CB VAL A 14 9.762 1.148 -4.502 1.00 0.00 C ATOM 152 CG1 VAL A 14 10.014 2.627 -4.749 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.482 0.695 -5.188 1.00 0.00 C ATOM 0 H VAL A 14 10.435 -0.194 -6.951 1.00 0.00 H new ATOM 0 HA VAL A 14 11.875 0.712 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 14 9.644 0.999 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.157 3.205 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.906 2.940 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.159 2.798 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.647 1.300 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.586 0.813 -6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.295 -0.353 -4.954 1.00 0.00 H new ATOM 163 N LYS A 15 11.190 -1.405 -3.283 1.00 0.00 N ATOM 164 CA LYS A 15 11.072 -2.741 -2.713 1.00 0.00 C ATOM 165 C LYS A 15 9.910 -2.812 -1.728 1.00 0.00 C ATOM 166 O LYS A 15 9.950 -2.200 -0.660 1.00 0.00 O ATOM 167 CB LYS A 15 12.374 -3.136 -2.012 1.00 0.00 C ATOM 168 CG LYS A 15 13.446 -3.643 -2.961 1.00 0.00 C ATOM 169 CD LYS A 15 14.835 -3.499 -2.360 1.00 0.00 C ATOM 170 CE LYS A 15 15.413 -2.116 -2.617 1.00 0.00 C ATOM 171 NZ LYS A 15 16.443 -1.749 -1.606 1.00 0.00 N ATOM 0 H LYS A 15 11.610 -0.717 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 15 10.878 -3.440 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.760 -2.274 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.159 -3.908 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.258 -4.690 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.395 -3.089 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.789 -3.681 -1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.496 -4.255 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.855 -2.086 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.611 -1.378 -2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.813 -0.800 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.016 -1.752 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.221 -2.438 -1.637 1.00 0.00 H new ATOM 185 N VAL A 16 8.875 -3.563 -2.093 1.00 0.00 N ATOM 186 CA VAL A 16 7.703 -3.716 -1.240 1.00 0.00 C ATOM 187 C VAL A 16 7.774 -5.007 -0.433 1.00 0.00 C ATOM 188 O VAL A 16 8.280 -6.022 -0.912 1.00 0.00 O ATOM 189 CB VAL A 16 6.403 -3.711 -2.066 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.199 -3.953 -1.169 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.259 -2.400 -2.825 1.00 0.00 C ATOM 0 H VAL A 16 8.825 -4.075 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 16 7.695 -2.865 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 16 6.452 -4.521 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.290 -3.946 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.301 -4.920 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.142 -3.167 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.335 -2.414 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.232 -1.571 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.107 -2.275 -3.499 1.00 0.00 H new ATOM 201 N GLU A 17 7.265 -4.961 0.794 1.00 0.00 N ATOM 202 CA GLU A 17 7.272 -6.128 1.668 1.00 0.00 C ATOM 203 C GLU A 17 6.026 -6.157 2.548 1.00 0.00 C ATOM 204 O GLU A 17 5.712 -5.181 3.231 1.00 0.00 O ATOM 205 CB GLU A 17 8.528 -6.131 2.542 1.00 0.00 C ATOM 206 CG GLU A 17 8.854 -7.491 3.135 1.00 0.00 C ATOM 207 CD GLU A 17 9.597 -7.391 4.452 1.00 0.00 C ATOM 208 OE1 GLU A 17 8.948 -7.099 5.479 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.828 -7.603 4.458 1.00 0.00 O ATOM 0 H GLU A 17 6.843 -4.128 1.205 1.00 0.00 H new ATOM 0 HA GLU A 17 7.273 -7.019 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.375 -5.791 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.399 -5.413 3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.929 -8.048 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.456 -8.058 2.425 1.00 0.00 H new ATOM 216 N PHE A 18 5.318 -7.281 2.526 1.00 0.00 N ATOM 217 CA PHE A 18 4.105 -7.437 3.320 1.00 0.00 C ATOM 218 C PHE A 18 4.326 -8.426 4.462 1.00 0.00 C ATOM 219 O PHE A 18 5.064 -9.400 4.320 1.00 0.00 O ATOM 220 CB PHE A 18 2.949 -7.911 2.437 1.00 0.00 C ATOM 221 CG PHE A 18 2.532 -6.903 1.405 1.00 0.00 C ATOM 222 CD1 PHE A 18 1.569 -5.951 1.697 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.102 -6.908 0.142 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.182 -5.023 0.749 1.00 0.00 C ATOM 225 CE2 PHE A 18 2.719 -5.982 -0.810 1.00 0.00 C ATOM 226 CZ PHE A 18 1.759 -5.038 -0.506 1.00 0.00 C ATOM 0 H PHE A 18 5.563 -8.098 1.967 1.00 0.00 H new ATOM 0 HA PHE A 18 3.853 -6.466 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.240 -8.834 1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.093 -8.148 3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.115 -5.934 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.854 -7.644 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.429 -4.287 0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.171 -5.997 -1.791 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.460 -4.313 -1.248 1.00 0.00 H new ATOM 236 N GLY A 19 3.680 -8.166 5.595 1.00 0.00 N ATOM 237 CA GLY A 19 3.819 -9.040 6.745 1.00 0.00 C ATOM 238 C GLY A 19 2.535 -9.157 7.543 1.00 0.00 C ATOM 239 O GLY A 19 2.081 -8.185 8.145 1.00 0.00 O ATOM 0 H GLY A 19 3.063 -7.366 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.126 -10.031 6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.611 -8.662 7.391 1.00 0.00 H new ATOM 243 N GLY A 20 1.948 -10.349 7.546 1.00 0.00 N ATOM 244 CA GLY A 20 0.713 -10.567 8.277 1.00 0.00 C ATOM 245 C GLY A 20 -0.366 -11.196 7.419 1.00 0.00 C ATOM 246 O GLY A 20 -1.540 -10.845 7.529 1.00 0.00 O ATOM 0 H GLY A 20 2.305 -11.169 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.911 -11.210 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.353 -9.615 8.668 1.00 0.00 H new ATOM 250 N GLY A 21 0.032 -12.129 6.560 1.00 0.00 N ATOM 251 CA GLY A 21 -0.922 -12.793 5.690 1.00 0.00 C ATOM 252 C GLY A 21 -1.139 -12.045 4.390 1.00 0.00 C ATOM 253 O GLY A 21 -1.458 -12.647 3.365 1.00 0.00 O ATOM 0 H GLY A 21 0.998 -12.437 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.569 -13.801 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.874 -12.895 6.211 1.00 0.00 H new ATOM 257 N ALA A 22 -0.967 -10.728 4.431 1.00 0.00 N ATOM 258 CA ALA A 22 -1.146 -9.897 3.247 1.00 0.00 C ATOM 259 C ALA A 22 -0.297 -10.405 2.086 1.00 0.00 C ATOM 260 O ALA A 22 -0.748 -10.434 0.942 1.00 0.00 O ATOM 261 CB ALA A 22 -0.801 -8.448 3.561 1.00 0.00 C ATOM 0 H ALA A 22 -0.704 -10.214 5.272 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.193 -9.953 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.939 -7.839 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.453 -8.082 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.237 -8.384 3.887 1.00 0.00 H new ATOM 267 N GLU A 23 0.934 -10.803 2.390 1.00 0.00 N ATOM 268 CA GLU A 23 1.846 -11.309 1.370 1.00 0.00 C ATOM 269 C GLU A 23 1.134 -12.288 0.441 1.00 0.00 C ATOM 270 O GLU A 23 1.475 -12.403 -0.737 1.00 0.00 O ATOM 271 CB GLU A 23 3.049 -11.992 2.024 1.00 0.00 C ATOM 272 CG GLU A 23 2.673 -13.157 2.923 1.00 0.00 C ATOM 273 CD GLU A 23 2.288 -12.715 4.321 1.00 0.00 C ATOM 274 OE1 GLU A 23 2.665 -11.590 4.712 1.00 0.00 O ATOM 275 OE2 GLU A 23 1.612 -13.493 5.025 1.00 0.00 O ATOM 0 H GLU A 23 1.323 -10.785 3.333 1.00 0.00 H new ATOM 0 HA GLU A 23 2.195 -10.463 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.722 -12.348 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.600 -11.256 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.841 -13.702 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.512 -13.850 2.983 1.00 0.00 H new ATOM 282 N LEU A 24 0.144 -12.991 0.979 1.00 0.00 N ATOM 283 CA LEU A 24 -0.616 -13.962 0.199 1.00 0.00 C ATOM 284 C LEU A 24 -1.378 -13.276 -0.930 1.00 0.00 C ATOM 285 O LEU A 24 -1.444 -13.787 -2.049 1.00 0.00 O ATOM 286 CB LEU A 24 -1.592 -14.718 1.102 1.00 0.00 C ATOM 287 CG LEU A 24 -0.963 -15.641 2.146 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.016 -16.131 3.129 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.272 -16.817 1.472 1.00 0.00 C ATOM 0 H LEU A 24 -0.151 -12.907 1.952 1.00 0.00 H new ATOM 0 HA LEU A 24 0.087 -14.670 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.216 -13.989 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.253 -15.313 0.471 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.214 -15.074 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.550 -16.787 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.465 -15.277 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.788 -16.681 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.170 -17.463 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.001 -17.384 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.511 -16.448 0.809 1.00 0.00 H new ATOM 301 N LEU A 25 -1.950 -12.114 -0.631 1.00 0.00 N ATOM 302 CA LEU A 25 -2.706 -11.356 -1.622 1.00 0.00 C ATOM 303 C LEU A 25 -1.811 -10.935 -2.784 1.00 0.00 C ATOM 304 O LEU A 25 -2.292 -10.447 -3.806 1.00 0.00 O ATOM 305 CB LEU A 25 -3.336 -10.121 -0.976 1.00 0.00 C ATOM 306 CG LEU A 25 -4.607 -10.365 -0.162 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.722 -9.351 0.966 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.835 -10.309 -1.059 1.00 0.00 C ATOM 0 H LEU A 25 -1.904 -11.677 0.289 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.496 -11.999 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.595 -9.658 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.564 -9.401 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.548 -11.361 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.633 -9.541 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.858 -9.440 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.758 -8.345 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.730 -10.485 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.899 -9.327 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.757 -11.075 -1.831 1.00 0.00 H new ATOM 320 N PHE A 26 -0.507 -11.129 -2.620 1.00 0.00 N ATOM 321 CA PHE A 26 0.456 -10.771 -3.655 1.00 0.00 C ATOM 322 C PHE A 26 1.361 -11.953 -3.988 1.00 0.00 C ATOM 323 O PHE A 26 2.467 -12.070 -3.460 1.00 0.00 O ATOM 324 CB PHE A 26 1.301 -9.578 -3.204 1.00 0.00 C ATOM 325 CG PHE A 26 0.484 -8.405 -2.742 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.017 -8.359 -1.450 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.217 -7.349 -3.598 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.768 -7.282 -1.021 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.534 -6.269 -3.174 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.028 -6.235 -1.885 1.00 0.00 C ATOM 0 H PHE A 26 -0.092 -11.532 -1.780 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.098 -10.496 -4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.958 -9.894 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.940 -9.263 -4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.182 -9.175 -0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.600 -7.370 -4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.152 -7.258 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.734 -5.452 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.616 -5.392 -1.553 1.00 0.00 H new ATOM 340 N ASP A 27 0.883 -12.827 -4.868 1.00 0.00 N ATOM 341 CA ASP A 27 1.649 -14.000 -5.273 1.00 0.00 C ATOM 342 C ASP A 27 2.385 -14.606 -4.082 1.00 0.00 C ATOM 343 O ASP A 27 3.479 -15.150 -4.227 1.00 0.00 O ATOM 344 CB ASP A 27 2.647 -13.630 -6.371 1.00 0.00 C ATOM 345 CG ASP A 27 1.967 -13.303 -7.686 1.00 0.00 C ATOM 346 OD1 ASP A 27 1.123 -14.108 -8.132 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.278 -12.243 -8.268 1.00 0.00 O ATOM 0 H ASP A 27 -0.031 -12.745 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 27 0.952 -14.742 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.237 -12.773 -6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.341 -14.457 -6.520 1.00 0.00 H new ATOM 352 N GLY A 28 1.777 -14.507 -2.904 1.00 0.00 N ATOM 353 CA GLY A 28 2.390 -15.049 -1.705 1.00 0.00 C ATOM 354 C GLY A 28 3.898 -14.889 -1.702 1.00 0.00 C ATOM 355 O GLY A 28 4.632 -15.858 -1.897 1.00 0.00 O ATOM 0 H GLY A 28 0.871 -14.061 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.973 -14.550 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.140 -16.106 -1.619 1.00 0.00 H new ATOM 359 N VAL A 29 4.361 -13.663 -1.482 1.00 0.00 N ATOM 360 CA VAL A 29 5.791 -13.380 -1.455 1.00 0.00 C ATOM 361 C VAL A 29 6.127 -12.350 -0.382 1.00 0.00 C ATOM 362 O VAL A 29 5.324 -11.468 -0.078 1.00 0.00 O ATOM 363 CB VAL A 29 6.287 -12.864 -2.819 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.639 -12.182 -2.673 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.361 -14.003 -3.824 1.00 0.00 C ATOM 0 H VAL A 29 3.767 -12.850 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 29 6.295 -14.319 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 29 5.574 -12.128 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.973 -11.824 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.549 -11.339 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.365 -12.894 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.713 -13.621 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.052 -14.764 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.371 -14.442 -3.950 1.00 0.00 H new ATOM 375 N LYS A 30 7.321 -12.468 0.190 1.00 0.00 N ATOM 376 CA LYS A 30 7.766 -11.548 1.229 1.00 0.00 C ATOM 377 C LYS A 30 8.258 -10.238 0.621 1.00 0.00 C ATOM 378 O LYS A 30 7.885 -9.154 1.070 1.00 0.00 O ATOM 379 CB LYS A 30 8.880 -12.186 2.062 1.00 0.00 C ATOM 380 CG LYS A 30 8.515 -13.549 2.623 1.00 0.00 C ATOM 381 CD LYS A 30 9.741 -14.291 3.130 1.00 0.00 C ATOM 382 CE LYS A 30 9.380 -15.672 3.654 1.00 0.00 C ATOM 383 NZ LYS A 30 8.987 -16.597 2.555 1.00 0.00 N ATOM 0 H LYS A 30 7.998 -13.193 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 30 6.916 -11.332 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.773 -12.284 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.133 -11.519 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.799 -13.429 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.024 -14.141 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.469 -14.385 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.216 -13.713 3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.230 -16.089 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.560 -15.587 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.880 -17.560 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.084 -16.284 2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.722 -16.594 1.819 1.00 0.00 H new ATOM 397 N LYS A 31 9.097 -10.345 -0.404 1.00 0.00 N ATOM 398 CA LYS A 31 9.638 -9.170 -1.076 1.00 0.00 C ATOM 399 C LYS A 31 9.142 -9.091 -2.516 1.00 0.00 C ATOM 400 O LYS A 31 9.237 -10.059 -3.271 1.00 0.00 O ATOM 401 CB LYS A 31 11.168 -9.205 -1.054 1.00 0.00 C ATOM 402 CG LYS A 31 11.757 -9.184 0.346 1.00 0.00 C ATOM 403 CD LYS A 31 13.219 -8.773 0.330 1.00 0.00 C ATOM 404 CE LYS A 31 13.373 -7.260 0.321 1.00 0.00 C ATOM 405 NZ LYS A 31 13.322 -6.705 -1.060 1.00 0.00 N ATOM 0 H LYS A 31 9.417 -11.234 -0.787 1.00 0.00 H new ATOM 0 HA LYS A 31 9.293 -8.285 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.510 -10.102 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.551 -8.351 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.191 -8.492 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.661 -10.172 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.724 -9.186 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.707 -9.195 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.582 -6.811 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.320 -6.989 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.967 -5.892 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.612 -7.437 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.352 -6.398 -1.275 1.00 0.00 H new ATOM 419 N HIS A 32 8.614 -7.930 -2.892 1.00 0.00 N ATOM 420 CA HIS A 32 8.105 -7.724 -4.243 1.00 0.00 C ATOM 421 C HIS A 32 8.767 -6.513 -4.894 1.00 0.00 C ATOM 422 O HIS A 32 8.664 -5.394 -4.394 1.00 0.00 O ATOM 423 CB HIS A 32 6.588 -7.536 -4.216 1.00 0.00 C ATOM 424 CG HIS A 32 5.897 -8.392 -3.200 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.107 -9.472 -3.537 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.881 -8.324 -1.848 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.635 -10.029 -2.436 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.090 -9.352 -1.397 1.00 0.00 N ATOM 0 H HIS A 32 8.528 -7.118 -2.280 1.00 0.00 H new ATOM 0 HA HIS A 32 8.344 -8.609 -4.833 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.363 -6.489 -4.011 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.185 -7.761 -5.203 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.395 -7.596 -1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.987 -10.892 -2.393 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.887 -9.559 -0.419 1.00 0.00 H new ATOM 437 N GLN A 33 9.447 -6.747 -6.012 1.00 0.00 N ATOM 438 CA GLN A 33 10.128 -5.676 -6.730 1.00 0.00 C ATOM 439 C GLN A 33 9.151 -4.908 -7.615 1.00 0.00 C ATOM 440 O GLN A 33 8.489 -5.488 -8.475 1.00 0.00 O ATOM 441 CB GLN A 33 11.265 -6.245 -7.580 1.00 0.00 C ATOM 442 CG GLN A 33 12.258 -5.194 -8.049 1.00 0.00 C ATOM 443 CD GLN A 33 12.945 -5.577 -9.345 1.00 0.00 C ATOM 444 OE1 GLN A 33 12.363 -6.254 -10.193 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.191 -5.146 -9.506 1.00 0.00 N ATOM 0 H GLN A 33 9.541 -7.668 -6.440 1.00 0.00 H new ATOM 0 HA GLN A 33 10.544 -4.987 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.795 -7.002 -7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.841 -6.747 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.740 -4.245 -8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.010 -5.040 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.636 -4.587 -8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.703 -5.374 -10.358 1.00 0.00 H new ATOM 454 N VAL A 34 9.067 -3.599 -7.398 1.00 0.00 N ATOM 455 CA VAL A 34 8.172 -2.751 -8.176 1.00 0.00 C ATOM 456 C VAL A 34 8.955 -1.743 -9.008 1.00 0.00 C ATOM 457 O VAL A 34 9.937 -1.167 -8.541 1.00 0.00 O ATOM 458 CB VAL A 34 7.185 -1.994 -7.267 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.183 -1.212 -8.102 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.473 -2.960 -6.332 1.00 0.00 C ATOM 0 H VAL A 34 9.608 -3.103 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 34 7.611 -3.408 -8.841 1.00 0.00 H new ATOM 0 HB VAL A 34 7.748 -1.285 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.494 -0.684 -7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.713 -0.492 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.623 -1.899 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.780 -2.408 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.921 -3.694 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.207 -3.471 -5.709 1.00 0.00 H new ATOM 470 N ALA A 35 8.514 -1.534 -10.244 1.00 0.00 N ATOM 471 CA ALA A 35 9.173 -0.593 -11.142 1.00 0.00 C ATOM 472 C ALA A 35 8.163 0.351 -11.785 1.00 0.00 C ATOM 473 O ALA A 35 7.634 0.071 -12.862 1.00 0.00 O ATOM 474 CB ALA A 35 9.954 -1.342 -12.211 1.00 0.00 C ATOM 0 H ALA A 35 7.703 -2.004 -10.647 1.00 0.00 H new ATOM 0 HA ALA A 35 9.868 0.007 -10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.441 -0.627 -12.874 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.709 -1.970 -11.737 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.273 -1.967 -12.789 1.00 0.00 H new ATOM 480 N LEU A 36 7.898 1.470 -11.119 1.00 0.00 N ATOM 481 CA LEU A 36 6.949 2.456 -11.625 1.00 0.00 C ATOM 482 C LEU A 36 7.468 3.101 -12.906 1.00 0.00 C ATOM 483 O LEU A 36 8.670 3.290 -13.093 1.00 0.00 O ATOM 484 CB LEU A 36 6.688 3.530 -10.569 1.00 0.00 C ATOM 485 CG LEU A 36 6.442 3.027 -9.146 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.410 4.190 -8.166 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.146 2.233 -9.077 1.00 0.00 C ATOM 0 H LEU A 36 8.327 1.717 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 36 6.014 1.943 -11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.541 4.208 -10.551 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.823 4.115 -10.881 1.00 0.00 H new ATOM 0 HG LEU A 36 7.264 2.367 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.234 3.812 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.364 4.716 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.609 4.876 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.988 1.883 -8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.313 2.869 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.208 1.377 -9.749 1.00 0.00 H new ATOM 499 N PRO A 37 6.540 3.451 -13.810 1.00 0.00 N ATOM 500 CA PRO A 37 6.879 4.084 -15.088 1.00 0.00 C ATOM 501 C PRO A 37 7.387 5.511 -14.912 1.00 0.00 C ATOM 502 O PRO A 37 7.474 6.015 -13.793 1.00 0.00 O ATOM 503 CB PRO A 37 5.552 4.079 -15.850 1.00 0.00 C ATOM 504 CG PRO A 37 4.506 4.051 -14.789 1.00 0.00 C ATOM 505 CD PRO A 37 5.089 3.256 -13.654 1.00 0.00 C ATOM 0 HA PRO A 37 7.683 3.558 -15.602 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.454 4.963 -16.480 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.475 3.211 -16.505 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.249 5.060 -14.467 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.589 3.591 -15.157 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.737 3.617 -12.688 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.816 2.203 -13.719 1.00 0.00 H new ATOM 513 N GLY A 38 7.721 6.158 -16.025 1.00 0.00 N ATOM 514 CA GLY A 38 8.215 7.521 -15.971 1.00 0.00 C ATOM 515 C GLY A 38 7.236 8.516 -16.561 1.00 0.00 C ATOM 516 O GLY A 38 6.718 8.310 -17.658 1.00 0.00 O ATOM 0 H GLY A 38 7.658 5.762 -16.963 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.420 7.789 -14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.161 7.583 -16.510 1.00 0.00 H new ATOM 520 N GLN A 39 6.981 9.597 -15.831 1.00 0.00 N ATOM 521 CA GLN A 39 6.055 10.627 -16.289 1.00 0.00 C ATOM 522 C GLN A 39 6.413 11.984 -15.694 1.00 0.00 C ATOM 523 O GLN A 39 7.295 12.085 -14.842 1.00 0.00 O ATOM 524 CB GLN A 39 4.619 10.255 -15.914 1.00 0.00 C ATOM 525 CG GLN A 39 4.486 9.681 -14.513 1.00 0.00 C ATOM 526 CD GLN A 39 3.073 9.782 -13.973 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.134 10.082 -14.711 1.00 0.00 O ATOM 528 NE2 GLN A 39 2.914 9.531 -12.679 1.00 0.00 N ATOM 0 H GLN A 39 7.402 9.783 -14.921 1.00 0.00 H new ATOM 0 HA GLN A 39 6.134 10.694 -17.374 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.990 11.141 -15.996 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.241 9.528 -16.633 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.794 8.635 -14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.166 10.207 -13.843 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.720 9.286 -12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.986 9.583 -12.260 1.00 0.00 H new ATOM 537 N GLU A 40 5.723 13.025 -16.149 1.00 0.00 N ATOM 538 CA GLU A 40 5.970 14.377 -15.661 1.00 0.00 C ATOM 539 C GLU A 40 5.687 14.476 -14.165 1.00 0.00 C ATOM 540 O GLU A 40 6.367 15.203 -13.441 1.00 0.00 O ATOM 541 CB GLU A 40 5.105 15.384 -16.422 1.00 0.00 C ATOM 542 CG GLU A 40 5.373 15.409 -17.917 1.00 0.00 C ATOM 543 CD GLU A 40 6.518 16.331 -18.289 1.00 0.00 C ATOM 544 OE1 GLU A 40 6.326 17.564 -18.246 1.00 0.00 O ATOM 545 OE2 GLU A 40 7.607 15.819 -18.623 1.00 0.00 O ATOM 0 H GLU A 40 4.989 12.958 -16.854 1.00 0.00 H new ATOM 0 HA GLU A 40 7.021 14.610 -15.831 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.054 15.148 -16.254 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.277 16.380 -16.014 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.599 14.399 -18.259 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.471 15.728 -18.439 1.00 0.00 H new ATOM 552 N GLU A 41 4.678 13.739 -13.709 1.00 0.00 N ATOM 553 CA GLU A 41 4.305 13.745 -12.299 1.00 0.00 C ATOM 554 C GLU A 41 4.958 12.582 -11.559 1.00 0.00 C ATOM 555 O GLU A 41 4.921 11.433 -11.999 1.00 0.00 O ATOM 556 CB GLU A 41 2.784 13.669 -12.152 1.00 0.00 C ATOM 557 CG GLU A 41 2.328 13.235 -10.769 1.00 0.00 C ATOM 558 CD GLU A 41 0.951 13.764 -10.416 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.717 14.977 -10.597 1.00 0.00 O ATOM 560 OE2 GLU A 41 0.108 12.965 -9.957 1.00 0.00 O ATOM 0 H GLU A 41 4.105 13.131 -14.295 1.00 0.00 H new ATOM 0 HA GLU A 41 4.659 14.677 -11.859 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.356 14.646 -12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.390 12.971 -12.891 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.319 12.146 -10.719 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.048 13.582 -10.028 1.00 0.00 H new ATOM 567 N PRO A 42 5.572 12.885 -10.405 1.00 0.00 N ATOM 568 CA PRO A 42 6.245 11.880 -9.578 1.00 0.00 C ATOM 569 C PRO A 42 5.262 10.921 -8.916 1.00 0.00 C ATOM 570 O PRO A 42 4.165 11.317 -8.521 1.00 0.00 O ATOM 571 CB PRO A 42 6.970 12.717 -8.521 1.00 0.00 C ATOM 572 CG PRO A 42 6.185 13.980 -8.435 1.00 0.00 C ATOM 573 CD PRO A 42 5.655 14.234 -9.819 1.00 0.00 C ATOM 0 HA PRO A 42 6.908 11.246 -10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.999 12.203 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.003 12.912 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.371 13.885 -7.717 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.811 14.807 -8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.680 14.722 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.320 14.881 -10.392 1.00 0.00 H new ATOM 581 N TRP A 43 5.661 9.660 -8.798 1.00 0.00 N ATOM 582 CA TRP A 43 4.814 8.645 -8.183 1.00 0.00 C ATOM 583 C TRP A 43 4.659 8.898 -6.687 1.00 0.00 C ATOM 584 O TRP A 43 5.641 8.911 -5.945 1.00 0.00 O ATOM 585 CB TRP A 43 5.399 7.251 -8.418 1.00 0.00 C ATOM 586 CG TRP A 43 4.960 6.633 -9.711 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.573 6.750 -10.925 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.811 5.803 -9.917 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.876 6.043 -11.875 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.791 5.453 -11.282 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.800 5.321 -9.083 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.798 4.644 -11.827 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.815 4.518 -9.626 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.820 4.186 -10.987 1.00 0.00 C ATOM 0 H TRP A 43 6.566 9.316 -9.120 1.00 0.00 H new ATOM 0 HA TRP A 43 3.829 8.701 -8.647 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.487 7.314 -8.405 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.108 6.599 -7.595 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.474 7.316 -11.112 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.126 5.969 -12.861 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.788 5.571 -8.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.800 4.387 -12.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.028 4.140 -8.990 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.036 3.556 -11.381 1.00 0.00 H new ATOM 605 N ASP A 44 3.420 9.099 -6.251 1.00 0.00 N ATOM 606 CA ASP A 44 3.137 9.352 -4.843 1.00 0.00 C ATOM 607 C ASP A 44 2.342 8.201 -4.234 1.00 0.00 C ATOM 608 O ASP A 44 1.629 7.485 -4.938 1.00 0.00 O ATOM 609 CB ASP A 44 2.365 10.662 -4.683 1.00 0.00 C ATOM 610 CG ASP A 44 2.781 11.708 -5.699 1.00 0.00 C ATOM 611 OD1 ASP A 44 3.958 11.693 -6.116 1.00 0.00 O ATOM 612 OD2 ASP A 44 1.931 12.541 -6.076 1.00 0.00 O ATOM 0 H ASP A 44 2.596 9.092 -6.852 1.00 0.00 H new ATOM 0 HA ASP A 44 4.087 9.433 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.298 10.466 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.523 11.053 -3.678 1.00 0.00 H new ATOM 617 N ILE A 45 2.471 8.029 -2.922 1.00 0.00 N ATOM 618 CA ILE A 45 1.764 6.965 -2.219 1.00 0.00 C ATOM 619 C ILE A 45 0.367 6.759 -2.795 1.00 0.00 C ATOM 620 O ILE A 45 0.071 5.714 -3.373 1.00 0.00 O ATOM 621 CB ILE A 45 1.648 7.266 -0.714 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.036 7.477 -0.105 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.918 6.137 -0.002 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.948 6.279 -0.251 1.00 0.00 C ATOM 0 H ILE A 45 3.058 8.612 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 45 2.348 6.055 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 45 1.072 8.183 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.504 8.340 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.927 7.714 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.844 6.365 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.083 6.030 -0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.469 5.206 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.914 6.500 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.501 5.419 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.087 6.054 -1.308 1.00 0.00 H new ATOM 636 N ARG A 46 -0.487 7.764 -2.633 1.00 0.00 N ATOM 637 CA ARG A 46 -1.854 7.694 -3.136 1.00 0.00 C ATOM 638 C ARG A 46 -1.912 6.904 -4.441 1.00 0.00 C ATOM 639 O ARG A 46 -2.837 6.124 -4.664 1.00 0.00 O ATOM 640 CB ARG A 46 -2.412 9.101 -3.355 1.00 0.00 C ATOM 641 CG ARG A 46 -1.599 9.935 -4.331 1.00 0.00 C ATOM 642 CD ARG A 46 -2.216 11.309 -4.539 1.00 0.00 C ATOM 643 NE ARG A 46 -1.902 12.221 -3.442 1.00 0.00 N ATOM 644 CZ ARG A 46 -2.640 13.282 -3.135 1.00 0.00 C ATOM 645 NH1 ARG A 46 -3.728 13.564 -3.839 1.00 0.00 N ATOM 646 NH2 ARG A 46 -2.290 14.065 -2.122 1.00 0.00 N ATOM 0 H ARG A 46 -0.257 8.636 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.463 7.181 -2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.436 9.023 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.455 9.618 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.581 10.045 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.533 9.416 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.854 11.731 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.298 11.211 -4.631 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.071 12.033 -2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.000 12.965 -4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.293 14.379 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.454 13.852 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.857 14.879 -1.887 1.00 0.00 H new ATOM 660 N ASN A 47 -0.919 7.112 -5.298 1.00 0.00 N ATOM 661 CA ASN A 47 -0.858 6.421 -6.580 1.00 0.00 C ATOM 662 C ASN A 47 -0.246 5.032 -6.421 1.00 0.00 C ATOM 663 O ASN A 47 -0.741 4.055 -6.983 1.00 0.00 O ATOM 664 CB ASN A 47 -0.043 7.237 -7.586 1.00 0.00 C ATOM 665 CG ASN A 47 -0.884 8.274 -8.305 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.708 7.939 -9.157 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.680 9.541 -7.964 1.00 0.00 N ATOM 0 H ASN A 47 -0.145 7.754 -5.128 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.876 6.310 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.777 7.734 -7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.404 6.564 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.217 10.283 -8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.013 9.772 -7.253 1.00 0.00 H new ATOM 674 N LEU A 48 0.834 4.953 -5.652 1.00 0.00 N ATOM 675 CA LEU A 48 1.515 3.684 -5.417 1.00 0.00 C ATOM 676 C LEU A 48 0.525 2.607 -4.985 1.00 0.00 C ATOM 677 O LEU A 48 0.762 1.415 -5.183 1.00 0.00 O ATOM 678 CB LEU A 48 2.599 3.853 -4.351 1.00 0.00 C ATOM 679 CG LEU A 48 3.496 2.639 -4.107 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.580 2.554 -5.170 1.00 0.00 C ATOM 681 CD2 LEU A 48 4.113 2.703 -2.717 1.00 0.00 C ATOM 0 H LEU A 48 1.257 5.752 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 48 1.980 3.371 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.231 4.695 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.117 4.118 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 48 2.883 1.740 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.209 1.684 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.119 2.461 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.191 3.456 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.748 1.831 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.712 3.609 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.321 2.714 -1.968 1.00 0.00 H new ATOM 693 N LEU A 49 -0.586 3.034 -4.395 1.00 0.00 N ATOM 694 CA LEU A 49 -1.614 2.106 -3.937 1.00 0.00 C ATOM 695 C LEU A 49 -2.378 1.513 -5.116 1.00 0.00 C ATOM 696 O LEU A 49 -2.608 0.305 -5.176 1.00 0.00 O ATOM 697 CB LEU A 49 -2.585 2.817 -2.992 1.00 0.00 C ATOM 698 CG LEU A 49 -2.223 2.782 -1.507 1.00 0.00 C ATOM 699 CD1 LEU A 49 -1.778 1.386 -1.098 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.136 3.802 -1.199 1.00 0.00 C ATOM 0 H LEU A 49 -0.798 4.017 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.123 1.294 -3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.664 3.859 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.572 2.372 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.111 3.041 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.525 1.381 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.586 0.678 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.904 1.097 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.891 3.763 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.246 3.574 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.492 4.801 -1.453 1.00 0.00 H new ATOM 712 N VAL A 50 -2.766 2.371 -6.055 1.00 0.00 N ATOM 713 CA VAL A 50 -3.501 1.931 -7.235 1.00 0.00 C ATOM 714 C VAL A 50 -2.747 0.830 -7.973 1.00 0.00 C ATOM 715 O VAL A 50 -3.312 -0.216 -8.291 1.00 0.00 O ATOM 716 CB VAL A 50 -3.757 3.101 -8.204 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.422 2.603 -9.478 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.605 4.171 -7.534 1.00 0.00 C ATOM 0 H VAL A 50 -2.584 3.374 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.457 1.541 -6.886 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.798 3.545 -8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.595 3.443 -10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.774 1.875 -9.966 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.374 2.133 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.776 4.990 -8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.562 3.743 -7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.086 4.548 -6.653 1.00 0.00 H new ATOM 728 N TRP A 51 -1.469 1.073 -8.241 1.00 0.00 N ATOM 729 CA TRP A 51 -0.637 0.102 -8.941 1.00 0.00 C ATOM 730 C TRP A 51 -0.520 -1.191 -8.142 1.00 0.00 C ATOM 731 O TRP A 51 -0.900 -2.262 -8.616 1.00 0.00 O ATOM 732 CB TRP A 51 0.753 0.683 -9.201 1.00 0.00 C ATOM 733 CG TRP A 51 1.600 -0.176 -10.092 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.801 -0.017 -11.433 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.356 -1.328 -9.704 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.637 -1.001 -11.903 1.00 0.00 N ATOM 737 CE2 TRP A 51 2.992 -1.817 -10.861 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.560 -1.992 -8.492 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.816 -2.940 -10.840 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.376 -3.107 -8.472 1.00 0.00 C ATOM 741 CH2 TRP A 51 3.997 -3.571 -9.639 1.00 0.00 C ATOM 0 H TRP A 51 -0.987 1.934 -7.984 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.112 -0.124 -9.896 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.648 1.669 -9.653 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.265 0.821 -8.249 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.367 0.767 -12.036 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.943 -1.107 -12.870 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.088 -1.640 -7.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.295 -3.300 -11.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.538 -3.630 -7.541 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.631 -4.444 -9.590 1.00 0.00 H new ATOM 752 N ILE A 52 0.009 -1.084 -6.927 1.00 0.00 N ATOM 753 CA ILE A 52 0.174 -2.246 -6.062 1.00 0.00 C ATOM 754 C ILE A 52 -1.151 -2.971 -5.856 1.00 0.00 C ATOM 755 O ILE A 52 -1.179 -4.172 -5.585 1.00 0.00 O ATOM 756 CB ILE A 52 0.748 -1.848 -4.689 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.184 -1.342 -4.840 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.694 -3.028 -3.730 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.795 -0.862 -3.542 1.00 0.00 C ATOM 0 H ILE A 52 0.330 -0.206 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 52 0.876 -2.914 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 52 0.140 -1.042 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.801 -2.142 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.199 -0.526 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.103 -2.731 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.341 -3.347 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.281 -3.853 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.813 -0.518 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.201 -0.041 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.812 -1.681 -2.823 1.00 0.00 H new ATOM 771 N LYS A 53 -2.249 -2.234 -5.987 1.00 0.00 N ATOM 772 CA LYS A 53 -3.580 -2.806 -5.818 1.00 0.00 C ATOM 773 C LYS A 53 -4.110 -3.349 -7.142 1.00 0.00 C ATOM 774 O LYS A 53 -5.094 -4.089 -7.172 1.00 0.00 O ATOM 775 CB LYS A 53 -4.543 -1.755 -5.263 1.00 0.00 C ATOM 776 CG LYS A 53 -4.288 -1.405 -3.808 1.00 0.00 C ATOM 777 CD LYS A 53 -5.068 -0.171 -3.386 1.00 0.00 C ATOM 778 CE LYS A 53 -6.566 -0.371 -3.562 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.002 -0.095 -4.959 1.00 0.00 N ATOM 0 H LYS A 53 -2.243 -1.239 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.507 -3.631 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.465 -0.849 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.565 -2.120 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.568 -2.247 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.223 -1.233 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.851 0.059 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.742 0.686 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.830 -1.394 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.103 0.286 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.793 0.580 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.209 0.310 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.308 -0.981 -5.409 1.00 0.00 H new ATOM 793 N LYS A 54 -3.452 -2.978 -8.235 1.00 0.00 N ATOM 794 CA LYS A 54 -3.855 -3.430 -9.561 1.00 0.00 C ATOM 795 C LYS A 54 -2.952 -4.558 -10.049 1.00 0.00 C ATOM 796 O LYS A 54 -3.401 -5.689 -10.233 1.00 0.00 O ATOM 797 CB LYS A 54 -3.815 -2.264 -10.553 1.00 0.00 C ATOM 798 CG LYS A 54 -4.947 -1.269 -10.368 1.00 0.00 C ATOM 799 CD LYS A 54 -6.160 -1.643 -11.202 1.00 0.00 C ATOM 800 CE LYS A 54 -7.042 -0.434 -11.476 1.00 0.00 C ATOM 801 NZ LYS A 54 -6.352 0.574 -12.327 1.00 0.00 N ATOM 0 H LYS A 54 -2.637 -2.365 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.875 -3.808 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.864 -1.742 -10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.853 -2.660 -11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.227 -1.227 -9.315 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.606 -0.272 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.833 -2.078 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.739 -2.407 -10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.959 -0.758 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.332 0.026 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.059 1.132 -12.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.785 1.206 -11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.729 0.089 -13.004 1.00 0.00 H new ATOM 815 N ASN A 55 -1.678 -4.243 -10.257 1.00 0.00 N ATOM 816 CA ASN A 55 -0.712 -5.231 -10.723 1.00 0.00 C ATOM 817 C ASN A 55 -0.326 -6.187 -9.598 1.00 0.00 C ATOM 818 O ASN A 55 -0.757 -7.340 -9.573 1.00 0.00 O ATOM 819 CB ASN A 55 0.537 -4.536 -11.268 1.00 0.00 C ATOM 820 CG ASN A 55 0.317 -3.950 -12.650 1.00 0.00 C ATOM 821 OD1 ASN A 55 0.338 -4.667 -13.651 1.00 0.00 O ATOM 822 ND2 ASN A 55 0.103 -2.641 -12.710 1.00 0.00 N ATOM 0 H ASN A 55 -1.290 -3.311 -10.110 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.177 -5.808 -11.523 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.836 -3.742 -10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.359 -5.250 -11.306 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.053 -2.190 -13.612 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.094 -2.086 -11.854 1.00 0.00 H new ATOM 829 N LEU A 56 0.489 -5.699 -8.669 1.00 0.00 N ATOM 830 CA LEU A 56 0.933 -6.509 -7.540 1.00 0.00 C ATOM 831 C LEU A 56 -0.231 -7.290 -6.938 1.00 0.00 C ATOM 832 O LEU A 56 -0.099 -8.471 -6.615 1.00 0.00 O ATOM 833 CB LEU A 56 1.574 -5.622 -6.471 1.00 0.00 C ATOM 834 CG LEU A 56 2.675 -6.272 -5.632 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.000 -6.248 -6.378 1.00 0.00 C ATOM 836 CD2 LEU A 56 2.804 -5.570 -4.288 1.00 0.00 C ATOM 0 H LEU A 56 0.855 -4.747 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 56 1.674 -7.221 -7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.990 -4.741 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.790 -5.274 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 56 2.403 -7.312 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.771 -6.715 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.900 -6.796 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.280 -5.216 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.592 -6.045 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.053 -4.521 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.859 -5.640 -3.749 1.00 0.00 H new ATOM 848 N LEU A 57 -1.370 -6.623 -6.791 1.00 0.00 N ATOM 849 CA LEU A 57 -2.560 -7.255 -6.230 1.00 0.00 C ATOM 850 C LEU A 57 -3.465 -7.790 -7.335 1.00 0.00 C ATOM 851 O LEU A 57 -3.757 -7.091 -8.306 1.00 0.00 O ATOM 852 CB LEU A 57 -3.330 -6.257 -5.363 1.00 0.00 C ATOM 853 CG LEU A 57 -4.497 -6.829 -4.557 1.00 0.00 C ATOM 854 CD1 LEU A 57 -3.987 -7.563 -3.326 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.463 -5.723 -4.159 1.00 0.00 C ATOM 0 H LEU A 57 -1.495 -5.645 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.239 -8.093 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.629 -5.792 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.713 -5.466 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.032 -7.542 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.832 -7.963 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.336 -8.381 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.428 -6.872 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.287 -6.148 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.941 -4.985 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.854 -5.242 -5.055 1.00 0.00 H new ATOM 867 N LYS A 58 -3.907 -9.033 -7.180 1.00 0.00 N ATOM 868 CA LYS A 58 -4.782 -9.662 -8.162 1.00 0.00 C ATOM 869 C LYS A 58 -6.137 -9.999 -7.547 1.00 0.00 C ATOM 870 O LYS A 58 -7.128 -10.161 -8.258 1.00 0.00 O ATOM 871 CB LYS A 58 -4.132 -10.932 -8.715 1.00 0.00 C ATOM 872 CG LYS A 58 -4.213 -12.118 -7.770 1.00 0.00 C ATOM 873 CD LYS A 58 -5.480 -12.927 -7.997 1.00 0.00 C ATOM 874 CE LYS A 58 -5.272 -14.005 -9.049 1.00 0.00 C ATOM 875 NZ LYS A 58 -4.562 -15.191 -8.495 1.00 0.00 N ATOM 0 H LYS A 58 -3.673 -9.625 -6.383 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.938 -8.956 -8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.613 -11.195 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.085 -10.727 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.342 -12.757 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.185 -11.765 -6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.792 -13.387 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.286 -12.263 -8.309 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.238 -14.314 -9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.700 -13.595 -9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.440 -15.903 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.630 -14.901 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.120 -15.598 -7.718 1.00 0.00 H new ATOM 889 N GLU A 59 -6.172 -10.100 -6.222 1.00 0.00 N ATOM 890 CA GLU A 59 -7.406 -10.416 -5.512 1.00 0.00 C ATOM 891 C GLU A 59 -8.224 -9.154 -5.255 1.00 0.00 C ATOM 892 O GLU A 59 -7.868 -8.067 -5.710 1.00 0.00 O ATOM 893 CB GLU A 59 -7.094 -11.114 -4.187 1.00 0.00 C ATOM 894 CG GLU A 59 -6.957 -12.623 -4.312 1.00 0.00 C ATOM 895 CD GLU A 59 -8.104 -13.251 -5.079 1.00 0.00 C ATOM 896 OE1 GLU A 59 -9.213 -12.678 -5.062 1.00 0.00 O ATOM 897 OE2 GLU A 59 -7.892 -14.316 -5.697 1.00 0.00 O ATOM 0 H GLU A 59 -5.360 -9.968 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.993 -11.088 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.169 -10.706 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.884 -10.887 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.018 -12.859 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.907 -13.063 -3.316 1.00 0.00 H new ATOM 904 N ARG A 60 -9.322 -9.307 -4.522 1.00 0.00 N ATOM 905 CA ARG A 60 -10.192 -8.181 -4.205 1.00 0.00 C ATOM 906 C ARG A 60 -9.387 -7.013 -3.642 1.00 0.00 C ATOM 907 O ARG A 60 -8.708 -7.130 -2.622 1.00 0.00 O ATOM 908 CB ARG A 60 -11.265 -8.605 -3.200 1.00 0.00 C ATOM 909 CG ARG A 60 -12.523 -9.158 -3.850 1.00 0.00 C ATOM 910 CD ARG A 60 -13.533 -8.058 -4.134 1.00 0.00 C ATOM 911 NE ARG A 60 -14.634 -8.528 -4.970 1.00 0.00 N ATOM 912 CZ ARG A 60 -14.566 -8.618 -6.293 1.00 0.00 C ATOM 913 NH1 ARG A 60 -13.454 -8.272 -6.928 1.00 0.00 N ATOM 914 NH2 ARG A 60 -15.610 -9.055 -6.985 1.00 0.00 N ATOM 0 H ARG A 60 -9.630 -10.200 -4.137 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.675 -7.857 -5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.848 -9.360 -2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.532 -7.747 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.262 -9.662 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.972 -9.906 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.930 -7.678 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.033 -7.225 -4.628 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.503 -8.802 -4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.649 -7.936 -6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.404 -8.342 -7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.467 -9.323 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.556 -9.123 -8.001 1.00 0.00 H new ATOM 928 N PRO A 61 -9.463 -5.860 -4.323 1.00 0.00 N ATOM 929 CA PRO A 61 -8.747 -4.649 -3.910 1.00 0.00 C ATOM 930 C PRO A 61 -9.319 -4.046 -2.631 1.00 0.00 C ATOM 931 O PRO A 61 -8.585 -3.769 -1.683 1.00 0.00 O ATOM 932 CB PRO A 61 -8.953 -3.696 -5.090 1.00 0.00 C ATOM 933 CG PRO A 61 -10.214 -4.158 -5.734 1.00 0.00 C ATOM 934 CD PRO A 61 -10.252 -5.649 -5.547 1.00 0.00 C ATOM 0 HA PRO A 61 -7.700 -4.850 -3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.036 -2.662 -4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.114 -3.739 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.082 -3.685 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.230 -3.897 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.273 -6.014 -5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.819 -6.172 -6.399 1.00 0.00 H new ATOM 942 N GLU A 62 -10.633 -3.844 -2.613 1.00 0.00 N ATOM 943 CA GLU A 62 -11.302 -3.273 -1.450 1.00 0.00 C ATOM 944 C GLU A 62 -11.029 -4.107 -0.202 1.00 0.00 C ATOM 945 O GLU A 62 -11.169 -3.625 0.923 1.00 0.00 O ATOM 946 CB GLU A 62 -12.809 -3.181 -1.695 1.00 0.00 C ATOM 947 CG GLU A 62 -13.496 -4.533 -1.780 1.00 0.00 C ATOM 948 CD GLU A 62 -13.266 -5.222 -3.111 1.00 0.00 C ATOM 949 OE1 GLU A 62 -12.121 -5.652 -3.365 1.00 0.00 O ATOM 950 OE2 GLU A 62 -14.229 -5.332 -3.898 1.00 0.00 O ATOM 0 H GLU A 62 -11.255 -4.067 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.905 -2.270 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.264 -2.602 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.985 -2.635 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.131 -5.173 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.567 -4.403 -1.623 1.00 0.00 H new ATOM 957 N LEU A 63 -10.638 -5.360 -0.408 1.00 0.00 N ATOM 958 CA LEU A 63 -10.345 -6.262 0.700 1.00 0.00 C ATOM 959 C LEU A 63 -9.110 -5.800 1.467 1.00 0.00 C ATOM 960 O LEU A 63 -9.173 -5.545 2.670 1.00 0.00 O ATOM 961 CB LEU A 63 -10.134 -7.686 0.182 1.00 0.00 C ATOM 962 CG LEU A 63 -10.539 -8.813 1.133 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.046 -8.822 1.339 1.00 0.00 C ATOM 964 CD2 LEU A 63 -10.063 -10.157 0.601 1.00 0.00 C ATOM 0 H LEU A 63 -10.517 -5.774 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.197 -6.251 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.695 -7.801 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.080 -7.808 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.062 -8.638 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.316 -9.631 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.361 -7.870 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.543 -8.972 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.360 -10.947 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.510 -10.341 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.977 -10.147 0.507 1.00 0.00 H new ATOM 976 N PHE A 64 -7.989 -5.692 0.763 1.00 0.00 N ATOM 977 CA PHE A 64 -6.739 -5.259 1.377 1.00 0.00 C ATOM 978 C PHE A 64 -6.759 -3.758 1.651 1.00 0.00 C ATOM 979 O PHE A 64 -6.556 -3.320 2.784 1.00 0.00 O ATOM 980 CB PHE A 64 -5.554 -5.608 0.474 1.00 0.00 C ATOM 981 CG PHE A 64 -4.223 -5.233 1.060 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.809 -5.765 2.270 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.385 -4.348 0.400 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.585 -5.421 2.811 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.160 -4.001 0.936 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.759 -4.539 2.143 1.00 0.00 C ATOM 0 H PHE A 64 -7.920 -5.898 -0.234 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.630 -5.783 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.564 -6.679 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.676 -5.102 -0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.450 -6.456 2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.693 -3.925 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.275 -5.842 3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.517 -3.310 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.801 -4.270 2.564 1.00 0.00 H new ATOM 996 N ILE A 65 -7.005 -2.975 0.606 1.00 0.00 N ATOM 997 CA ILE A 65 -7.052 -1.524 0.733 1.00 0.00 C ATOM 998 C ILE A 65 -8.290 -0.952 0.052 1.00 0.00 C ATOM 999 O ILE A 65 -8.771 -1.497 -0.942 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.798 -0.864 0.130 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.564 -1.201 0.971 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -5.985 0.642 0.035 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.257 -0.958 0.249 1.00 0.00 C ATOM 0 H ILE A 65 -7.175 -3.321 -0.338 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.092 -1.303 1.800 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.648 -1.255 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.582 -0.605 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.614 -2.247 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.090 1.093 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.842 0.863 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.157 1.051 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.426 -1.218 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.218 -1.574 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.185 0.094 -0.029 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.801 0.150 0.592 1.00 0.00 N ATOM 1016 CA GLN A 66 -9.983 0.796 0.035 1.00 0.00 C ATOM 1017 C GLN A 66 -9.636 2.167 -0.538 1.00 0.00 C ATOM 1018 O GLN A 66 -9.338 3.102 0.203 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.066 0.938 1.106 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.466 1.100 0.538 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.456 1.619 1.563 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.071 2.053 2.649 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -14.738 1.576 1.222 1.00 0.00 N ATOM 0 H GLN A 66 -8.415 0.614 1.414 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.361 0.169 -0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.044 0.060 1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.835 1.800 1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.433 1.785 -0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.813 0.139 0.158 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.011 1.208 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.450 1.911 1.871 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.676 2.277 -1.862 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.362 3.536 -2.512 1.00 0.00 C ATOM 1034 C GLY A 67 -7.872 3.806 -2.566 1.00 0.00 C ATOM 1035 O GLY A 67 -7.063 2.903 -2.348 1.00 0.00 O ATOM 0 H GLY A 67 -9.920 1.517 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.763 3.528 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.856 4.349 -1.980 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.507 5.049 -2.858 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.103 5.435 -2.941 1.00 0.00 C ATOM 1041 C ASP A 68 -5.435 5.350 -1.572 1.00 0.00 C ATOM 1042 O ASP A 68 -4.217 5.197 -1.473 1.00 0.00 O ATOM 1043 CB ASP A 68 -5.974 6.853 -3.499 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.127 7.745 -3.085 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -7.573 7.637 -1.923 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -7.585 8.551 -3.922 1.00 0.00 O ATOM 0 H ASP A 68 -8.164 5.807 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.600 4.741 -3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.037 7.292 -3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.925 6.809 -4.587 1.00 0.00 H new ATOM 1051 N SER A 69 -6.239 5.452 -0.519 1.00 0.00 N ATOM 1052 CA SER A 69 -5.725 5.392 0.844 1.00 0.00 C ATOM 1053 C SER A 69 -5.818 3.973 1.398 1.00 0.00 C ATOM 1054 O SER A 69 -6.755 3.235 1.093 1.00 0.00 O ATOM 1055 CB SER A 69 -6.500 6.355 1.747 1.00 0.00 C ATOM 1056 OG SER A 69 -7.897 6.147 1.635 1.00 0.00 O ATOM 0 H SER A 69 -7.249 5.577 -0.584 1.00 0.00 H new ATOM 0 HA SER A 69 -4.676 5.688 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.190 6.216 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.260 7.384 1.478 1.00 0.00 H new ATOM 0 HG SER A 69 -8.369 6.773 2.223 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.838 3.598 2.214 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.808 2.269 2.812 1.00 0.00 C ATOM 1064 C VAL A 70 -5.852 2.139 3.915 1.00 0.00 C ATOM 1065 O VAL A 70 -6.041 3.054 4.716 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.419 1.947 3.394 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.352 2.038 2.313 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.097 2.880 4.552 1.00 0.00 C ATOM 0 H VAL A 70 -4.054 4.196 2.476 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.034 1.559 2.017 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.432 0.925 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.377 1.807 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.576 1.325 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.337 3.047 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.112 2.638 4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.103 3.912 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.845 2.759 5.335 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.527 0.994 3.952 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.553 0.744 4.957 1.00 0.00 C ATOM 1080 C ARG A 71 -7.118 1.272 6.321 1.00 0.00 C ATOM 1081 O ARG A 71 -5.938 1.518 6.571 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.852 -0.753 5.049 1.00 0.00 C ATOM 1083 CG ARG A 71 -8.969 -1.209 4.123 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.538 -2.551 4.556 1.00 0.00 C ATOM 1085 NE ARG A 71 -8.487 -3.520 4.857 1.00 0.00 N ATOM 1086 CZ ARG A 71 -8.723 -4.795 5.145 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -9.967 -5.252 5.171 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -7.714 -5.615 5.407 1.00 0.00 N ATOM 0 H ARG A 71 -6.381 0.225 3.298 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.458 1.270 4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.946 -1.311 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.120 -0.999 6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.763 -0.462 4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.590 -1.285 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.165 -2.412 5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.179 -2.945 3.767 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.519 -3.200 4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.745 -4.624 4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.146 -6.231 5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.756 -5.267 5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.897 -6.594 5.628 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.092 1.450 7.225 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.835 1.949 8.579 1.00 0.00 C ATOM 1104 C PRO A 72 -7.088 0.935 9.439 1.00 0.00 C ATOM 1105 O PRO A 72 -6.842 1.171 10.621 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.238 2.196 9.139 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.120 1.272 8.372 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.521 1.176 6.995 1.00 0.00 C ATOM 0 HA PRO A 72 -7.202 2.836 8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.280 1.987 10.208 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.541 3.235 9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.166 0.292 8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.140 1.653 8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.676 0.190 6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.964 1.901 6.312 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.729 -0.194 8.836 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.014 -1.227 9.563 1.00 0.00 C ATOM 1118 C GLY A 73 -4.611 -1.444 9.031 1.00 0.00 C ATOM 1119 O GLY A 73 -3.677 -1.671 9.800 1.00 0.00 O ATOM 0 H GLY A 73 -6.920 -0.412 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.962 -0.955 10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.571 -2.162 9.502 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.463 -1.376 7.712 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.164 -1.567 7.079 1.00 0.00 C ATOM 1125 C ILE A 74 -2.166 -0.511 7.542 1.00 0.00 C ATOM 1126 O ILE A 74 -2.420 0.689 7.433 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.273 -1.515 5.544 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.380 -2.452 5.058 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -1.942 -1.884 4.906 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.118 -3.910 5.367 1.00 0.00 C ATOM 0 H ILE A 74 -5.226 -1.190 7.061 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.810 -2.554 7.377 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.527 -0.498 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.323 -2.156 5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.499 -2.333 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.035 -1.843 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.175 -1.181 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.661 -2.893 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.944 -4.515 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.192 -4.223 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.029 -4.043 6.445 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.029 -0.965 8.058 1.00 0.00 N ATOM 1143 CA LEU A 75 0.010 -0.060 8.537 1.00 0.00 C ATOM 1144 C LEU A 75 1.214 -0.070 7.601 1.00 0.00 C ATOM 1145 O LEU A 75 1.981 -1.033 7.569 1.00 0.00 O ATOM 1146 CB LEU A 75 0.444 -0.452 9.950 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.570 -0.184 11.063 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.088 -0.775 12.378 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.821 1.310 11.207 1.00 0.00 C ATOM 0 H LEU A 75 -0.803 -1.955 8.155 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.402 0.949 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.684 -1.515 9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.364 0.083 10.187 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.510 -0.666 10.795 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.822 -0.574 13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.039 -1.852 12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.865 -0.323 12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.545 1.482 12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.114 1.814 11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.212 1.705 10.269 1.00 0.00 H new ATOM 1161 N VAL A 76 1.377 1.009 6.842 1.00 0.00 N ATOM 1162 CA VAL A 76 2.491 1.126 5.908 1.00 0.00 C ATOM 1163 C VAL A 76 3.698 1.778 6.572 1.00 0.00 C ATOM 1164 O VAL A 76 3.583 2.383 7.639 1.00 0.00 O ATOM 1165 CB VAL A 76 2.097 1.946 4.665 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.879 1.336 3.987 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.836 3.396 5.044 1.00 0.00 C ATOM 0 H VAL A 76 0.752 1.815 6.856 1.00 0.00 H new ATOM 0 HA VAL A 76 2.753 0.114 5.599 1.00 0.00 H new ATOM 0 HB VAL A 76 2.926 1.923 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.615 1.929 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.107 0.315 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.041 1.326 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.559 3.961 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.024 3.442 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.738 3.826 5.480 1.00 0.00 H new ATOM 1177 N LEU A 77 4.857 1.652 5.934 1.00 0.00 N ATOM 1178 CA LEU A 77 6.088 2.230 6.461 1.00 0.00 C ATOM 1179 C LEU A 77 7.081 2.513 5.339 1.00 0.00 C ATOM 1180 O LEU A 77 7.478 1.607 4.606 1.00 0.00 O ATOM 1181 CB LEU A 77 6.717 1.289 7.490 1.00 0.00 C ATOM 1182 CG LEU A 77 6.281 1.493 8.941 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.327 0.177 9.703 1.00 0.00 C ATOM 1184 CD2 LEU A 77 7.159 2.535 9.620 1.00 0.00 C ATOM 0 H LEU A 77 4.970 1.154 5.051 1.00 0.00 H new ATOM 0 HA LEU A 77 5.838 3.174 6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.486 0.263 7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.800 1.398 7.438 1.00 0.00 H new ATOM 0 HG LEU A 77 5.253 1.855 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.013 0.342 10.734 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.657 -0.541 9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.344 -0.215 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.834 2.668 10.652 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.197 2.201 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.075 3.483 9.089 1.00 0.00 H new ATOM 1196 N ILE A 78 7.481 3.774 5.213 1.00 0.00 N ATOM 1197 CA ILE A 78 8.430 4.174 4.183 1.00 0.00 C ATOM 1198 C ILE A 78 9.862 4.128 4.707 1.00 0.00 C ATOM 1199 O ILE A 78 10.215 4.846 5.641 1.00 0.00 O ATOM 1200 CB ILE A 78 8.132 5.593 3.663 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.712 5.664 3.096 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.150 5.995 2.606 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.130 7.060 3.100 1.00 0.00 C ATOM 0 H ILE A 78 7.162 4.536 5.812 1.00 0.00 H new ATOM 0 HA ILE A 78 8.322 3.465 3.362 1.00 0.00 H new ATOM 0 HB ILE A 78 8.207 6.292 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.718 5.284 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.064 5.007 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.926 7.000 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.150 5.979 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.104 5.295 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.123 7.035 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.092 7.435 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.756 7.717 2.496 1.00 0.00 H new ATOM 1215 N ASN A 79 10.682 3.279 4.096 1.00 0.00 N ATOM 1216 CA ASN A 79 12.077 3.139 4.500 1.00 0.00 C ATOM 1217 C ASN A 79 12.199 3.080 6.020 1.00 0.00 C ATOM 1218 O ASN A 79 13.033 3.766 6.612 1.00 0.00 O ATOM 1219 CB ASN A 79 12.906 4.303 3.955 1.00 0.00 C ATOM 1220 CG ASN A 79 13.273 4.118 2.495 1.00 0.00 C ATOM 1221 OD1 ASN A 79 14.378 3.682 2.171 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.344 4.450 1.605 1.00 0.00 N ATOM 0 H ASN A 79 10.405 2.678 3.320 1.00 0.00 H new ATOM 0 HA ASN A 79 12.458 2.205 4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.345 5.230 4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.816 4.405 4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.533 4.347 0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.442 4.807 1.919 1.00 0.00 H new ATOM 1229 N ASP A 80 11.365 2.257 6.644 1.00 0.00 N ATOM 1230 CA ASP A 80 11.380 2.106 8.094 1.00 0.00 C ATOM 1231 C ASP A 80 11.035 3.424 8.781 1.00 0.00 C ATOM 1232 O ASP A 80 11.705 3.836 9.728 1.00 0.00 O ATOM 1233 CB ASP A 80 12.751 1.616 8.563 1.00 0.00 C ATOM 1234 CG ASP A 80 12.981 0.151 8.249 1.00 0.00 C ATOM 1235 OD1 ASP A 80 11.984 -0.586 8.097 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.157 -0.259 8.156 1.00 0.00 O ATOM 0 H ASP A 80 10.669 1.683 6.168 1.00 0.00 H new ATOM 0 HA ASP A 80 10.626 1.367 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.529 2.213 8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.841 1.773 9.638 1.00 0.00 H new ATOM 1241 N ALA A 81 9.987 4.082 8.296 1.00 0.00 N ATOM 1242 CA ALA A 81 9.553 5.352 8.863 1.00 0.00 C ATOM 1243 C ALA A 81 8.070 5.591 8.604 1.00 0.00 C ATOM 1244 O ALA A 81 7.640 5.700 7.455 1.00 0.00 O ATOM 1245 CB ALA A 81 10.381 6.495 8.293 1.00 0.00 C ATOM 0 H ALA A 81 9.423 3.756 7.511 1.00 0.00 H new ATOM 0 HA ALA A 81 9.704 5.310 9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.046 7.438 8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.432 6.338 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.258 6.528 7.210 1.00 0.00 H new ATOM 1251 N ASP A 82 7.292 5.670 9.677 1.00 0.00 N ATOM 1252 CA ASP A 82 5.855 5.896 9.566 1.00 0.00 C ATOM 1253 C ASP A 82 5.544 6.861 8.426 1.00 0.00 C ATOM 1254 O ASP A 82 6.119 7.946 8.344 1.00 0.00 O ATOM 1255 CB ASP A 82 5.300 6.445 10.881 1.00 0.00 C ATOM 1256 CG ASP A 82 5.807 5.680 12.088 1.00 0.00 C ATOM 1257 OD1 ASP A 82 7.017 5.768 12.382 1.00 0.00 O ATOM 1258 OD2 ASP A 82 4.992 4.993 12.739 1.00 0.00 O ATOM 0 H ASP A 82 7.632 5.581 10.635 1.00 0.00 H new ATOM 0 HA ASP A 82 5.377 4.940 9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.576 7.495 10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.211 6.402 10.858 1.00 0.00 H new ATOM 1263 N TRP A 83 4.632 6.457 7.549 1.00 0.00 N ATOM 1264 CA TRP A 83 4.245 7.286 6.413 1.00 0.00 C ATOM 1265 C TRP A 83 3.389 8.463 6.864 1.00 0.00 C ATOM 1266 O TRP A 83 3.331 9.493 6.193 1.00 0.00 O ATOM 1267 CB TRP A 83 3.484 6.451 5.382 1.00 0.00 C ATOM 1268 CG TRP A 83 2.088 6.111 5.807 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.674 5.767 7.062 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.922 6.081 4.976 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.321 5.525 7.062 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.164 5.712 5.794 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.689 6.332 3.621 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.459 5.587 5.300 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.597 6.208 3.132 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.658 5.839 3.969 1.00 0.00 C ATOM 0 H TRP A 83 4.147 5.561 7.602 1.00 0.00 H new ATOM 0 HA TRP A 83 5.153 7.677 5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.446 6.997 4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.034 5.529 5.195 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.316 5.696 7.928 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.232 5.251 7.874 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.500 6.618 2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.278 5.301 5.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.788 6.399 2.086 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.652 5.752 3.556 1.00 0.00 H new ATOM 1287 N GLU A 84 2.725 8.304 8.005 1.00 0.00 N ATOM 1288 CA GLU A 84 1.870 9.355 8.544 1.00 0.00 C ATOM 1289 C GLU A 84 2.706 10.520 9.066 1.00 0.00 C ATOM 1290 O GLU A 84 2.237 11.658 9.123 1.00 0.00 O ATOM 1291 CB GLU A 84 0.989 8.802 9.666 1.00 0.00 C ATOM 1292 CG GLU A 84 1.703 7.807 10.566 1.00 0.00 C ATOM 1293 CD GLU A 84 1.050 7.679 11.928 1.00 0.00 C ATOM 1294 OE1 GLU A 84 0.030 6.967 12.033 1.00 0.00 O ATOM 1295 OE2 GLU A 84 1.559 8.292 12.890 1.00 0.00 O ATOM 0 H GLU A 84 2.763 7.458 8.573 1.00 0.00 H new ATOM 0 HA GLU A 84 1.233 9.719 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.624 9.631 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.116 8.320 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.718 6.831 10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.740 8.117 10.692 1.00 0.00 H new ATOM 1302 N LEU A 85 3.944 10.229 9.447 1.00 0.00 N ATOM 1303 CA LEU A 85 4.846 11.251 9.965 1.00 0.00 C ATOM 1304 C LEU A 85 5.331 12.168 8.846 1.00 0.00 C ATOM 1305 O LEU A 85 5.544 13.363 9.055 1.00 0.00 O ATOM 1306 CB LEU A 85 6.043 10.599 10.660 1.00 0.00 C ATOM 1307 CG LEU A 85 5.882 10.325 12.156 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.822 9.260 12.393 1.00 0.00 C ATOM 1309 CD2 LEU A 85 7.210 9.903 12.767 1.00 0.00 C ATOM 0 H LEU A 85 4.347 9.293 9.407 1.00 0.00 H new ATOM 0 HA LEU A 85 4.296 11.852 10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.259 9.655 10.159 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.913 11.241 10.520 1.00 0.00 H new ATOM 0 HG LEU A 85 5.558 11.246 12.641 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.722 9.078 13.463 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.868 9.601 11.992 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.116 8.336 11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.076 9.712 13.832 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.564 8.996 12.277 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.943 10.698 12.630 1.00 0.00 H new ATOM 1321 N LEU A 86 5.502 11.601 7.657 1.00 0.00 N ATOM 1322 CA LEU A 86 5.960 12.367 6.503 1.00 0.00 C ATOM 1323 C LEU A 86 4.779 12.858 5.672 1.00 0.00 C ATOM 1324 O LEU A 86 4.517 14.057 5.595 1.00 0.00 O ATOM 1325 CB LEU A 86 6.889 11.514 5.636 1.00 0.00 C ATOM 1326 CG LEU A 86 7.912 10.661 6.387 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.232 9.398 5.602 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.179 11.460 6.655 1.00 0.00 C ATOM 0 H LEU A 86 5.330 10.614 7.467 1.00 0.00 H new ATOM 0 HA LEU A 86 6.509 13.235 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.276 10.854 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.426 12.175 4.955 1.00 0.00 H new ATOM 0 HG LEU A 86 7.481 10.370 7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.962 8.803 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.321 8.816 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.643 9.668 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.896 10.837 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.613 11.782 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.937 12.335 7.259 1.00 0.00 H new ATOM 1340 N GLY A 87 4.067 11.921 5.052 1.00 0.00 N ATOM 1341 CA GLY A 87 2.921 12.278 4.237 1.00 0.00 C ATOM 1342 C GLY A 87 2.181 11.063 3.714 1.00 0.00 C ATOM 1343 O GLY A 87 2.488 10.560 2.634 1.00 0.00 O ATOM 0 H GLY A 87 4.264 10.921 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.238 12.891 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.253 12.887 3.396 1.00 0.00 H new ATOM 1347 N GLU A 88 1.204 10.590 4.482 1.00 0.00 N ATOM 1348 CA GLU A 88 0.421 9.425 4.089 1.00 0.00 C ATOM 1349 C GLU A 88 0.226 9.385 2.576 1.00 0.00 C ATOM 1350 O GLU A 88 0.568 8.399 1.921 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.940 9.438 4.789 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.848 9.306 6.300 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.145 8.828 6.923 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -2.776 7.914 6.352 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.530 9.367 7.982 1.00 0.00 O ATOM 0 H GLU A 88 0.936 10.996 5.379 1.00 0.00 H new ATOM 0 HA GLU A 88 0.969 8.533 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.456 10.366 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.548 8.623 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.049 8.608 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.577 10.270 6.730 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.325 10.462 2.028 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.566 10.551 0.592 1.00 0.00 C ATOM 1364 C LEU A 89 0.191 11.728 -0.016 1.00 0.00 C ATOM 1365 O LEU A 89 0.467 11.748 -1.215 1.00 0.00 O ATOM 1366 CB LEU A 89 -2.063 10.695 0.314 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.950 9.549 0.804 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.420 9.915 0.666 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.643 8.272 0.036 1.00 0.00 C ATOM 0 H LEU A 89 -0.613 11.286 2.556 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.204 9.632 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.411 11.620 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.204 10.803 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.737 9.376 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.036 9.088 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.631 10.804 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.648 10.116 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.283 7.467 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.827 8.433 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.598 8.000 0.186 1.00 0.00 H new ATOM 1381 N ASP A 90 0.524 12.705 0.820 1.00 0.00 N ATOM 1382 CA ASP A 90 1.253 13.884 0.367 1.00 0.00 C ATOM 1383 C ASP A 90 2.697 13.532 0.025 1.00 0.00 C ATOM 1384 O ASP A 90 3.374 14.272 -0.689 1.00 0.00 O ATOM 1385 CB ASP A 90 1.220 14.973 1.440 1.00 0.00 C ATOM 1386 CG ASP A 90 2.316 16.004 1.252 1.00 0.00 C ATOM 1387 OD1 ASP A 90 2.225 16.798 0.293 1.00 0.00 O ATOM 1388 OD2 ASP A 90 3.266 16.015 2.063 1.00 0.00 O ATOM 0 H ASP A 90 0.301 12.704 1.815 1.00 0.00 H new ATOM 0 HA ASP A 90 0.767 14.258 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.250 15.470 1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.322 14.514 2.423 1.00 0.00 H new ATOM 1393 N TYR A 91 3.163 12.400 0.540 1.00 0.00 N ATOM 1394 CA TYR A 91 4.528 11.952 0.292 1.00 0.00 C ATOM 1395 C TYR A 91 4.689 11.465 -1.145 1.00 0.00 C ATOM 1396 O TYR A 91 3.866 10.701 -1.648 1.00 0.00 O ATOM 1397 CB TYR A 91 4.905 10.835 1.266 1.00 0.00 C ATOM 1398 CG TYR A 91 6.381 10.504 1.266 1.00 0.00 C ATOM 1399 CD1 TYR A 91 6.943 9.750 0.243 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.212 10.944 2.288 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.291 9.444 0.239 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.560 10.645 2.292 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.095 9.895 1.265 1.00 0.00 C ATOM 1404 OH TYR A 91 10.438 9.593 1.266 1.00 0.00 O ATOM 0 H TYR A 91 2.615 11.776 1.132 1.00 0.00 H new ATOM 0 HA TYR A 91 5.195 12.800 0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.607 11.126 2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.340 9.938 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.316 9.397 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.796 11.531 3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.712 8.855 -0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.192 10.996 3.094 1.00 0.00 H new ATOM 0 HH TYR A 91 10.861 9.987 2.057 1.00 0.00 H new ATOM 1414 N GLN A 92 5.756 11.913 -1.798 1.00 0.00 N ATOM 1415 CA GLN A 92 6.026 11.524 -3.177 1.00 0.00 C ATOM 1416 C GLN A 92 7.317 10.718 -3.273 1.00 0.00 C ATOM 1417 O GLN A 92 8.414 11.262 -3.136 1.00 0.00 O ATOM 1418 CB GLN A 92 6.117 12.762 -4.071 1.00 0.00 C ATOM 1419 CG GLN A 92 4.942 13.713 -3.915 1.00 0.00 C ATOM 1420 CD GLN A 92 4.889 14.761 -5.009 1.00 0.00 C ATOM 1421 OE1 GLN A 92 4.200 14.590 -6.015 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.618 15.854 -4.818 1.00 0.00 N ATOM 0 H GLN A 92 6.447 12.545 -1.395 1.00 0.00 H new ATOM 0 HA GLN A 92 5.202 10.898 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.039 13.297 -3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.181 12.444 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.014 13.141 -3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.007 14.208 -2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.174 15.954 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.622 16.594 -5.520 1.00 0.00 H new ATOM 1431 N LEU A 93 7.181 9.417 -3.507 1.00 0.00 N ATOM 1432 CA LEU A 93 8.337 8.535 -3.621 1.00 0.00 C ATOM 1433 C LEU A 93 9.286 9.018 -4.712 1.00 0.00 C ATOM 1434 O LEU A 93 8.851 9.502 -5.756 1.00 0.00 O ATOM 1435 CB LEU A 93 7.884 7.105 -3.920 1.00 0.00 C ATOM 1436 CG LEU A 93 7.034 6.430 -2.842 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.941 4.934 -3.094 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.608 6.706 -1.460 1.00 0.00 C ATOM 0 H LEU A 93 6.282 8.950 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 93 8.869 8.550 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.316 7.112 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.770 6.493 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 93 6.028 6.847 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.333 4.471 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.483 4.757 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.941 4.500 -3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.991 6.218 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.625 6.317 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.620 7.781 -1.279 1.00 0.00 H new ATOM 1450 N GLN A 94 10.585 8.882 -4.463 1.00 0.00 N ATOM 1451 CA GLN A 94 11.595 9.304 -5.426 1.00 0.00 C ATOM 1452 C GLN A 94 12.127 8.112 -6.215 1.00 0.00 C ATOM 1453 O GLN A 94 11.840 7.963 -7.403 1.00 0.00 O ATOM 1454 CB GLN A 94 12.747 10.012 -4.710 1.00 0.00 C ATOM 1455 CG GLN A 94 12.305 11.204 -3.878 1.00 0.00 C ATOM 1456 CD GLN A 94 11.525 10.797 -2.643 1.00 0.00 C ATOM 1457 OE1 GLN A 94 11.665 9.679 -2.147 1.00 0.00 O ATOM 1458 NE2 GLN A 94 10.696 11.705 -2.140 1.00 0.00 N ATOM 0 H GLN A 94 10.962 8.483 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 94 11.128 9.999 -6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.256 9.297 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.474 10.346 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 94 13.182 11.777 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.689 11.862 -4.491 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.611 12.620 -2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.144 11.488 -1.310 1.00 0.00 H new ATOM 1467 N ASP A 95 12.903 7.265 -5.547 1.00 0.00 N ATOM 1468 CA ASP A 95 13.474 6.085 -6.185 1.00 0.00 C ATOM 1469 C ASP A 95 14.212 5.221 -5.168 1.00 0.00 C ATOM 1470 O ASP A 95 14.436 5.638 -4.032 1.00 0.00 O ATOM 1471 CB ASP A 95 14.426 6.498 -7.309 1.00 0.00 C ATOM 1472 CG ASP A 95 15.183 5.319 -7.889 1.00 0.00 C ATOM 1473 OD1 ASP A 95 14.564 4.517 -8.619 1.00 0.00 O ATOM 1474 OD2 ASP A 95 16.395 5.199 -7.612 1.00 0.00 O ATOM 0 H ASP A 95 13.151 7.374 -4.564 1.00 0.00 H new ATOM 0 HA ASP A 95 12.658 5.499 -6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.858 6.987 -8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.137 7.231 -6.928 1.00 0.00 H new ATOM 1479 N GLN A 96 14.587 4.015 -5.585 1.00 0.00 N ATOM 1480 CA GLN A 96 15.298 3.092 -4.709 1.00 0.00 C ATOM 1481 C GLN A 96 14.757 3.166 -3.285 1.00 0.00 C ATOM 1482 O GLN A 96 15.503 3.011 -2.318 1.00 0.00 O ATOM 1483 CB GLN A 96 16.796 3.402 -4.714 1.00 0.00 C ATOM 1484 CG GLN A 96 17.511 2.930 -5.970 1.00 0.00 C ATOM 1485 CD GLN A 96 17.864 1.456 -5.921 1.00 0.00 C ATOM 1486 OE1 GLN A 96 18.359 0.958 -4.910 1.00 0.00 O ATOM 1487 NE2 GLN A 96 17.609 0.749 -7.016 1.00 0.00 N ATOM 0 H GLN A 96 14.410 3.655 -6.523 1.00 0.00 H new ATOM 0 HA GLN A 96 15.142 2.081 -5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.936 4.478 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.258 2.934 -3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.878 3.120 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.421 3.514 -6.106 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.198 1.203 -7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 96 17.824 -0.248 -7.041 1.00 0.00 H new ATOM 1496 N ASP A 97 13.455 3.404 -3.164 1.00 0.00 N ATOM 1497 CA ASP A 97 12.814 3.498 -1.858 1.00 0.00 C ATOM 1498 C ASP A 97 12.117 2.189 -1.500 1.00 0.00 C ATOM 1499 O ASP A 97 11.477 1.563 -2.345 1.00 0.00 O ATOM 1500 CB ASP A 97 11.805 4.648 -1.843 1.00 0.00 C ATOM 1501 CG ASP A 97 12.477 6.006 -1.790 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.218 6.264 -0.818 1.00 0.00 O ATOM 1503 OD2 ASP A 97 12.261 6.812 -2.719 1.00 0.00 O ATOM 0 H ASP A 97 12.824 3.535 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 97 13.587 3.693 -1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.179 4.590 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.146 4.538 -0.982 1.00 0.00 H new ATOM 1508 N SER A 98 12.246 1.781 -0.241 1.00 0.00 N ATOM 1509 CA SER A 98 11.633 0.544 0.228 1.00 0.00 C ATOM 1510 C SER A 98 10.343 0.832 0.990 1.00 0.00 C ATOM 1511 O SER A 98 10.342 1.573 1.974 1.00 0.00 O ATOM 1512 CB SER A 98 12.606 -0.225 1.123 1.00 0.00 C ATOM 1513 OG SER A 98 13.644 -0.815 0.359 1.00 0.00 O ATOM 0 H SER A 98 12.769 2.289 0.472 1.00 0.00 H new ATOM 0 HA SER A 98 11.392 -0.066 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.034 0.450 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.068 -0.999 1.670 1.00 0.00 H new ATOM 0 HG SER A 98 14.254 -1.299 0.954 1.00 0.00 H new ATOM 1519 N ILE A 99 9.246 0.242 0.528 1.00 0.00 N ATOM 1520 CA ILE A 99 7.949 0.434 1.166 1.00 0.00 C ATOM 1521 C ILE A 99 7.503 -0.829 1.896 1.00 0.00 C ATOM 1522 O ILE A 99 7.745 -1.945 1.433 1.00 0.00 O ATOM 1523 CB ILE A 99 6.870 0.828 0.140 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.452 1.785 -0.903 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.679 1.462 0.842 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.971 3.078 -0.313 1.00 0.00 C ATOM 0 H ILE A 99 9.229 -0.373 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 99 8.068 1.244 1.886 1.00 0.00 H new ATOM 0 HB ILE A 99 6.529 -0.072 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.264 1.284 -1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.685 2.014 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.925 1.735 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.253 0.751 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.004 2.355 1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.369 3.707 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.158 3.600 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.761 2.859 0.405 1.00 0.00 H new ATOM 1538 N LEU A 100 6.850 -0.645 3.038 1.00 0.00 N ATOM 1539 CA LEU A 100 6.368 -1.770 3.832 1.00 0.00 C ATOM 1540 C LEU A 100 4.869 -1.651 4.091 1.00 0.00 C ATOM 1541 O LEU A 100 4.334 -0.548 4.203 1.00 0.00 O ATOM 1542 CB LEU A 100 7.122 -1.842 5.161 1.00 0.00 C ATOM 1543 CG LEU A 100 6.657 -2.921 6.139 1.00 0.00 C ATOM 1544 CD1 LEU A 100 7.121 -4.294 5.679 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.169 -2.626 7.542 1.00 0.00 C ATOM 0 H LEU A 100 6.642 0.271 3.435 1.00 0.00 H new ATOM 0 HA LEU A 100 6.550 -2.685 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.179 -2.004 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.041 -0.873 5.654 1.00 0.00 H new ATOM 0 HG LEU A 100 5.567 -2.917 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.781 -5.049 6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.706 -4.507 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.210 -4.311 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.828 -3.404 8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.259 -2.602 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.787 -1.660 7.873 1.00 0.00 H new ATOM 1557 N PHE A 101 4.198 -2.794 4.187 1.00 0.00 N ATOM 1558 CA PHE A 101 2.761 -2.818 4.434 1.00 0.00 C ATOM 1559 C PHE A 101 2.391 -3.956 5.381 1.00 0.00 C ATOM 1560 O PHE A 101 2.705 -5.118 5.124 1.00 0.00 O ATOM 1561 CB PHE A 101 1.998 -2.967 3.117 1.00 0.00 C ATOM 1562 CG PHE A 101 2.300 -1.882 2.123 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.477 -1.901 1.393 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.406 -0.843 1.918 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.758 -0.904 0.478 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.681 0.157 1.005 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.858 0.126 0.283 1.00 0.00 C ATOM 0 H PHE A 101 4.626 -3.715 4.098 1.00 0.00 H new ATOM 0 HA PHE A 101 2.482 -1.874 4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.240 -3.933 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.928 -2.971 3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.184 -2.704 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.483 -0.815 2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.680 -0.930 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.976 0.962 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.074 0.905 -0.433 1.00 0.00 H new ATOM 1577 N ILE A 102 1.723 -3.612 6.477 1.00 0.00 N ATOM 1578 CA ILE A 102 1.309 -4.604 7.462 1.00 0.00 C ATOM 1579 C ILE A 102 -0.209 -4.646 7.596 1.00 0.00 C ATOM 1580 O ILE A 102 -0.880 -3.619 7.491 1.00 0.00 O ATOM 1581 CB ILE A 102 1.928 -4.318 8.843 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.451 -4.458 8.783 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.345 -5.256 9.889 1.00 0.00 C ATOM 1584 CD1 ILE A 102 4.146 -4.051 10.063 1.00 0.00 C ATOM 0 H ILE A 102 1.457 -2.654 6.705 1.00 0.00 H new ATOM 0 HA ILE A 102 1.666 -5.570 7.106 1.00 0.00 H new ATOM 0 HB ILE A 102 1.687 -3.294 9.127 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.704 -5.494 8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.832 -3.849 7.963 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.792 -5.042 10.860 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.266 -5.111 9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.558 -6.288 9.611 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.223 -4.176 9.948 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.923 -3.007 10.282 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.794 -4.677 10.883 1.00 0.00 H new ATOM 1596 N SER A 103 -0.744 -5.839 7.831 1.00 0.00 N ATOM 1597 CA SER A 103 -2.184 -6.016 7.979 1.00 0.00 C ATOM 1598 C SER A 103 -2.526 -6.557 9.364 1.00 0.00 C ATOM 1599 O SER A 103 -2.412 -7.756 9.621 1.00 0.00 O ATOM 1600 CB SER A 103 -2.716 -6.964 6.903 1.00 0.00 C ATOM 1601 OG SER A 103 -4.128 -7.062 6.962 1.00 0.00 O ATOM 0 H SER A 103 -0.202 -6.698 7.923 1.00 0.00 H new ATOM 0 HA SER A 103 -2.658 -5.042 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.414 -6.607 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.274 -7.952 7.034 1.00 0.00 H new ATOM 0 HG SER A 103 -4.443 -7.673 6.263 1.00 0.00 H new ATOM 1607 N THR A 104 -2.948 -5.664 10.254 1.00 0.00 N ATOM 1608 CA THR A 104 -3.305 -6.049 11.613 1.00 0.00 C ATOM 1609 C THR A 104 -4.726 -5.612 11.952 1.00 0.00 C ATOM 1610 O THR A 104 -4.943 -4.847 12.893 1.00 0.00 O ATOM 1611 CB THR A 104 -2.334 -5.443 12.643 1.00 0.00 C ATOM 1612 OG1 THR A 104 -2.827 -5.661 13.970 1.00 0.00 O ATOM 1613 CG2 THR A 104 -2.153 -3.951 12.404 1.00 0.00 C ATOM 0 H THR A 104 -3.051 -4.668 10.057 1.00 0.00 H new ATOM 0 HA THR A 104 -3.240 -7.136 11.661 1.00 0.00 H new ATOM 0 HB THR A 104 -1.367 -5.934 12.529 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.700 -5.227 14.070 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.463 -3.545 13.144 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.750 -3.789 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.116 -3.449 12.493 1.00 0.00 H new