USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 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 85 THR OG1 : rot 180:sc= -0.0956 USER MOD Set 1.2: A 117 THR OG1 : rot 180:sc= -2.52! USER MOD Set 2.1: A 50 ASN : amide:sc= -2.38! C(o=-1.6!,f=-7.7!) USER MOD Set 2.2: A 52 THR OG1 : rot 82:sc= 0.821 USER MOD Set 3.1: A 43 HIS :FLIP no HD1:sc= -1.93 X(o=-3.1!,f=-2.7) USER MOD Set 3.2: A 45 GLN :FLIP amide:sc= -0.781 F(o=-3.3!,f=-2.7) USER MOD Set 4.1: A 16 ASN : amide:sc= -1.33 K(o=-2.8,f=-13!) USER MOD Set 4.2: A 94 TYR OH : rot 180:sc= -1.48! USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= -3.6 (180deg=-3.67) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 8:sc= -0.208 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -5.75! C(o=-5.8!,f=-9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.297 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0892 USER MOD Single : A 71 GLN : amide:sc= -0.402 X(o=-0.4,f=0) USER MOD Single : A 76 SER OG : rot -112:sc= -0.123 USER MOD Single : A 80 MET CE :methyl -133:sc= -0.504 (180deg=-4.17) USER MOD Single : A 87 MET CE :methyl 176:sc= 0 (180deg=-0.00803) USER MOD Single : A 89 THR OG1 : rot 46:sc= 0.674 USER MOD Single : A 92 SER OG : rot 100:sc= -0.566 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 70:sc= -0.692 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0122 K(o=-0.012,f=-1.2) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HE2:sc= -0.128 F(o=-0.66,f=-0.13) USER MOD Single : A 113 CYS SG : rot 180:sc= -0.288 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.450 -11.567 3.476 1.00 0.00 N ATOM 121 CA LEU A 11 -7.394 -11.453 2.370 1.00 0.00 C ATOM 122 C LEU A 11 -6.687 -11.626 1.030 1.00 0.00 C ATOM 123 O LEU A 11 -5.638 -11.029 0.789 1.00 0.00 O ATOM 124 CB LEU A 11 -8.102 -10.098 2.415 1.00 0.00 C ATOM 125 CG LEU A 11 -8.960 -9.748 1.199 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.126 -8.860 1.606 1.00 0.00 C ATOM 127 CD2 LEU A 11 -8.118 -9.068 0.129 1.00 0.00 C ATOM 0 HA LEU A 11 -8.134 -12.246 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.736 -10.071 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.348 -9.321 2.538 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.361 -10.673 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.725 -8.621 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.744 -9.383 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.745 -7.939 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.746 -8.826 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.687 -8.152 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.318 -9.738 -0.184 1.00 0.00 H new ATOM 139 N ASP A 12 -7.270 -12.444 0.160 1.00 0.00 N ATOM 140 CA ASP A 12 -6.698 -12.693 -1.158 1.00 0.00 C ATOM 141 C ASP A 12 -7.295 -11.749 -2.196 1.00 0.00 C ATOM 142 O ASP A 12 -8.395 -11.979 -2.699 1.00 0.00 O ATOM 143 CB ASP A 12 -6.935 -14.146 -1.574 1.00 0.00 C ATOM 144 CG ASP A 12 -6.054 -15.117 -0.814 1.00 0.00 C ATOM 145 OD1 ASP A 12 -6.113 -15.120 0.433 1.00 0.00 O ATOM 146 OD2 ASP A 12 -5.305 -15.875 -1.467 1.00 0.00 O ATOM 0 H ASP A 12 -8.139 -12.946 0.344 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.625 -12.510 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.981 -14.402 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.748 -14.250 -2.643 1.00 0.00 H new ATOM 151 N ILE A 13 -6.562 -10.686 -2.513 1.00 0.00 N ATOM 152 CA ILE A 13 -7.019 -9.708 -3.491 1.00 0.00 C ATOM 153 C ILE A 13 -7.020 -10.296 -4.898 1.00 0.00 C ATOM 154 O ILE A 13 -7.891 -9.988 -5.712 1.00 0.00 O ATOM 155 CB ILE A 13 -6.140 -8.443 -3.476 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.221 -7.756 -2.111 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.566 -7.489 -4.582 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.025 -6.883 -1.803 1.00 0.00 C ATOM 0 H ILE A 13 -5.649 -10.481 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.037 -9.436 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.105 -8.735 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.125 -7.148 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.315 -8.516 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.936 -6.600 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.462 -7.982 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.606 -7.200 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.150 -6.428 -0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.120 -7.490 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.942 -6.101 -2.557 1.00 0.00 H new ATOM 170 N LEU A 14 -6.038 -11.146 -5.178 1.00 0.00 N ATOM 171 CA LEU A 14 -5.925 -11.781 -6.487 1.00 0.00 C ATOM 172 C LEU A 14 -6.437 -13.217 -6.442 1.00 0.00 C ATOM 173 O LEU A 14 -6.908 -13.751 -7.446 1.00 0.00 O ATOM 174 CB LEU A 14 -4.471 -11.760 -6.962 1.00 0.00 C ATOM 175 CG LEU A 14 -3.847 -10.378 -7.152 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.357 -10.499 -7.435 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.546 -9.627 -8.276 1.00 0.00 C ATOM 0 H LEU A 14 -5.309 -11.412 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.539 -11.218 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.867 -12.314 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.411 -12.297 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.976 -9.812 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.930 -9.505 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.867 -10.996 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.205 -11.083 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.089 -8.645 -8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.449 -10.189 -9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.602 -9.508 -8.032 1.00 0.00 H new ATOM 189 N GLY A 15 -6.344 -13.837 -5.269 1.00 0.00 N ATOM 190 CA GLY A 15 -6.804 -15.204 -5.115 1.00 0.00 C ATOM 191 C GLY A 15 -5.659 -16.194 -5.028 1.00 0.00 C ATOM 192 O GLY A 15 -5.747 -17.194 -4.316 1.00 0.00 O ATOM 0 H GLY A 15 -5.958 -13.417 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.415 -15.280 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.444 -15.466 -5.958 1.00 0.00 H new ATOM 196 N ASN A 16 -4.582 -15.916 -5.755 1.00 0.00 N ATOM 197 CA ASN A 16 -3.415 -16.792 -5.758 1.00 0.00 C ATOM 198 C ASN A 16 -2.813 -16.902 -4.361 1.00 0.00 C ATOM 199 O ASN A 16 -2.536 -17.999 -3.877 1.00 0.00 O ATOM 200 CB ASN A 16 -2.363 -16.270 -6.739 1.00 0.00 C ATOM 201 CG ASN A 16 -2.392 -14.760 -6.869 1.00 0.00 C ATOM 202 OD1 ASN A 16 -2.563 -14.044 -5.882 1.00 0.00 O ATOM 203 ND2 ASN A 16 -2.225 -14.267 -8.091 1.00 0.00 N ATOM 0 H ASN A 16 -4.493 -15.092 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.737 -17.784 -6.074 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.373 -16.584 -6.407 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.529 -16.719 -7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.235 -13.258 -8.240 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.086 -14.897 -8.881 1.00 0.00 H new ATOM 210 N GLY A 17 -2.615 -15.756 -3.716 1.00 0.00 N ATOM 211 CA GLY A 17 -2.048 -15.746 -2.380 1.00 0.00 C ATOM 212 C GLY A 17 -0.874 -14.795 -2.256 1.00 0.00 C ATOM 213 O GLY A 17 -0.431 -14.484 -1.149 1.00 0.00 O ATOM 0 H GLY A 17 -2.837 -14.835 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.819 -15.462 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.725 -16.754 -2.118 1.00 0.00 H new ATOM 217 N LEU A 18 -0.366 -14.333 -3.393 1.00 0.00 N ATOM 218 CA LEU A 18 0.766 -13.412 -3.408 1.00 0.00 C ATOM 219 C LEU A 18 0.393 -12.081 -2.763 1.00 0.00 C ATOM 220 O LEU A 18 0.917 -11.722 -1.708 1.00 0.00 O ATOM 221 CB LEU A 18 1.242 -13.182 -4.843 1.00 0.00 C ATOM 222 CG LEU A 18 2.005 -14.338 -5.491 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.374 -14.500 -4.850 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.207 -15.629 -5.384 1.00 0.00 C ATOM 0 H LEU A 18 -0.720 -14.581 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 18 1.575 -13.859 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.373 -12.955 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.881 -12.299 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 18 2.147 -14.108 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.902 -15.327 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.947 -13.582 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.256 -14.707 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.765 -16.441 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.034 -15.864 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.250 -15.508 -5.891 1.00 0.00 H new ATOM 236 N LEU A 19 -0.515 -11.353 -3.403 1.00 0.00 N ATOM 237 CA LEU A 19 -0.960 -10.062 -2.892 1.00 0.00 C ATOM 238 C LEU A 19 -2.062 -10.239 -1.851 1.00 0.00 C ATOM 239 O LEU A 19 -3.197 -10.578 -2.185 1.00 0.00 O ATOM 240 CB LEU A 19 -1.463 -9.183 -4.038 1.00 0.00 C ATOM 241 CG LEU A 19 -2.157 -7.882 -3.632 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.141 -6.868 -3.131 1.00 0.00 C ATOM 243 CD2 LEU A 19 -2.950 -7.313 -4.800 1.00 0.00 C ATOM 0 H LEU A 19 -0.958 -11.635 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.109 -9.575 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.616 -8.935 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.157 -9.769 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.851 -8.101 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.654 -5.949 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.618 -7.274 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.422 -6.653 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.437 -6.388 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.276 -7.110 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.705 -8.034 -5.113 1.00 0.00 H new ATOM 255 N ARG A 20 -1.718 -10.005 -0.588 1.00 0.00 N ATOM 256 CA ARG A 20 -2.678 -10.137 0.501 1.00 0.00 C ATOM 257 C ARG A 20 -2.918 -8.792 1.181 1.00 0.00 C ATOM 258 O ARG A 20 -2.181 -7.831 0.958 1.00 0.00 O ATOM 259 CB ARG A 20 -2.180 -11.157 1.527 1.00 0.00 C ATOM 260 CG ARG A 20 -2.115 -12.578 0.991 1.00 0.00 C ATOM 261 CD ARG A 20 -1.054 -13.397 1.709 1.00 0.00 C ATOM 262 NE ARG A 20 -1.393 -13.622 3.112 1.00 0.00 N ATOM 263 CZ ARG A 20 -0.781 -14.515 3.882 1.00 0.00 C ATOM 264 NH1 ARG A 20 0.196 -15.262 3.387 1.00 0.00 N ATOM 265 NH2 ARG A 20 -1.146 -14.661 5.149 1.00 0.00 N ATOM 0 H ARG A 20 -0.783 -9.723 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.621 -10.485 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.188 -10.861 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.837 -11.135 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.087 -13.057 1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.898 -12.555 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.935 -14.357 1.206 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.095 -12.883 1.646 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.141 -13.063 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.479 -15.152 2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.665 -15.947 3.980 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.897 -14.087 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.676 -15.347 5.739 1.00 0.00 H new ATOM 279 N LYS A 21 -3.954 -8.731 2.011 1.00 0.00 N ATOM 280 CA LYS A 21 -4.292 -7.505 2.724 1.00 0.00 C ATOM 281 C LYS A 21 -4.716 -7.809 4.158 1.00 0.00 C ATOM 282 O LYS A 21 -5.379 -8.813 4.420 1.00 0.00 O ATOM 283 CB LYS A 21 -5.413 -6.760 1.997 1.00 0.00 C ATOM 284 CG LYS A 21 -5.982 -5.595 2.788 1.00 0.00 C ATOM 285 CD LYS A 21 -7.404 -5.272 2.359 1.00 0.00 C ATOM 286 CE LYS A 21 -7.456 -4.799 0.915 1.00 0.00 C ATOM 287 NZ LYS A 21 -6.699 -3.531 0.718 1.00 0.00 N ATOM 0 H LYS A 21 -4.574 -9.517 2.206 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.404 -6.874 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.034 -6.391 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.216 -7.461 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.967 -5.834 3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.351 -4.717 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.030 -6.156 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.816 -4.501 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.045 -5.572 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.494 -4.652 0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.801 -3.215 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.074 -2.800 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.693 -3.691 0.928 1.00 0.00 H new ATOM 301 N LYS A 22 -4.330 -6.936 5.082 1.00 0.00 N ATOM 302 CA LYS A 22 -4.672 -7.109 6.489 1.00 0.00 C ATOM 303 C LYS A 22 -5.067 -5.777 7.120 1.00 0.00 C ATOM 304 O LYS A 22 -4.216 -4.933 7.398 1.00 0.00 O ATOM 305 CB LYS A 22 -3.492 -7.716 7.251 1.00 0.00 C ATOM 306 CG LYS A 22 -3.749 -7.880 8.739 1.00 0.00 C ATOM 307 CD LYS A 22 -2.546 -8.478 9.450 1.00 0.00 C ATOM 308 CE LYS A 22 -1.552 -7.403 9.861 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.424 -7.966 10.655 1.00 0.00 N ATOM 0 H LYS A 22 -3.780 -6.101 4.882 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.523 -7.787 6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.256 -8.690 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.615 -7.084 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.987 -6.911 9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.618 -8.520 8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.878 -9.025 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.055 -9.198 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.160 -6.911 8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.064 -6.640 10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.232 -7.202 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.796 -8.413 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.080 -8.676 10.087 1.00 0.00 H new ATOM 323 N THR A 23 -6.365 -5.596 7.345 1.00 0.00 N ATOM 324 CA THR A 23 -6.873 -4.369 7.943 1.00 0.00 C ATOM 325 C THR A 23 -6.331 -4.180 9.356 1.00 0.00 C ATOM 326 O THR A 23 -6.727 -4.887 10.283 1.00 0.00 O ATOM 327 CB THR A 23 -8.413 -4.362 7.992 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.945 -4.568 6.679 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.931 -3.048 8.555 1.00 0.00 C ATOM 0 H THR A 23 -7.083 -6.285 7.122 1.00 0.00 H new ATOM 0 HA THR A 23 -6.533 -3.547 7.313 1.00 0.00 H new ATOM 0 HB THR A 23 -8.738 -5.171 8.646 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.924 -4.564 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.021 -3.067 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.548 -2.909 9.566 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.597 -2.225 7.924 1.00 0.00 H new ATOM 337 N LEU A 24 -5.423 -3.223 9.513 1.00 0.00 N ATOM 338 CA LEU A 24 -4.826 -2.941 10.813 1.00 0.00 C ATOM 339 C LEU A 24 -5.777 -2.125 11.683 1.00 0.00 C ATOM 340 O LEU A 24 -5.929 -2.392 12.875 1.00 0.00 O ATOM 341 CB LEU A 24 -3.505 -2.189 10.638 1.00 0.00 C ATOM 342 CG LEU A 24 -2.427 -2.908 9.827 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.191 -2.032 9.688 1.00 0.00 C ATOM 344 CD2 LEU A 24 -2.070 -4.238 10.474 1.00 0.00 C ATOM 0 H LEU A 24 -5.084 -2.629 8.756 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.633 -3.892 11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.715 -1.233 10.159 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.102 -1.969 11.626 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.821 -3.106 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.434 -2.560 9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.457 -1.105 9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.795 -1.802 10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.301 -4.735 9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.696 -4.063 11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.957 -4.870 10.521 1.00 0.00 H new ATOM 356 N VAL A 25 -6.418 -1.129 11.078 1.00 0.00 N ATOM 357 CA VAL A 25 -7.357 -0.276 11.797 1.00 0.00 C ATOM 358 C VAL A 25 -8.494 0.176 10.888 1.00 0.00 C ATOM 359 O VAL A 25 -8.310 0.985 9.978 1.00 0.00 O ATOM 360 CB VAL A 25 -6.655 0.965 12.380 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.660 1.866 13.081 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.544 0.550 13.332 1.00 0.00 C ATOM 0 H VAL A 25 -6.304 -0.893 10.092 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.764 -0.871 12.615 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.208 1.528 11.560 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.146 2.738 13.487 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.417 2.191 12.367 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.138 1.316 13.892 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.059 1.439 13.735 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.965 -0.035 14.150 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.811 -0.052 12.795 1.00 0.00 H new ATOM 372 N PRO A 26 -9.699 -0.357 11.138 1.00 0.00 N ATOM 373 CA PRO A 26 -10.891 -0.021 10.353 1.00 0.00 C ATOM 374 C PRO A 26 -11.364 1.408 10.599 1.00 0.00 C ATOM 375 O PRO A 26 -11.145 1.968 11.672 1.00 0.00 O ATOM 376 CB PRO A 26 -11.936 -1.023 10.851 1.00 0.00 C ATOM 377 CG PRO A 26 -11.494 -1.380 12.228 1.00 0.00 C ATOM 378 CD PRO A 26 -9.991 -1.327 12.206 1.00 0.00 C ATOM 0 HA PRO A 26 -10.702 -0.077 9.281 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.934 -0.584 10.857 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.979 -1.903 10.209 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.899 -0.682 12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.846 -2.374 12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.586 -1.003 13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.558 -2.304 11.991 1.00 0.00 H new ATOM 386 N GLY A 27 -12.014 1.992 9.597 1.00 0.00 N ATOM 387 CA GLY A 27 -12.507 3.350 9.724 1.00 0.00 C ATOM 388 C GLY A 27 -13.938 3.403 10.221 1.00 0.00 C ATOM 389 O GLY A 27 -14.582 2.376 10.435 1.00 0.00 O ATOM 0 H GLY A 27 -12.208 1.548 8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.866 3.903 10.411 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.443 3.849 8.757 1.00 0.00 H new ATOM 393 N PRO A 28 -14.457 4.625 10.413 1.00 0.00 N ATOM 394 CA PRO A 28 -15.827 4.837 10.891 1.00 0.00 C ATOM 395 C PRO A 28 -16.871 4.450 9.849 1.00 0.00 C ATOM 396 O PRO A 28 -16.565 4.246 8.674 1.00 0.00 O ATOM 397 CB PRO A 28 -15.878 6.342 11.165 1.00 0.00 C ATOM 398 CG PRO A 28 -14.837 6.925 10.273 1.00 0.00 C ATOM 399 CD PRO A 28 -13.748 5.893 10.178 1.00 0.00 C ATOM 0 HA PRO A 28 -16.054 4.223 11.763 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.864 6.752 10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.670 6.561 12.212 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.248 7.150 9.289 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.454 7.861 10.680 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.265 5.908 9.201 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.969 6.061 10.922 1.00 0.00 H new ATOM 407 N PRO A 29 -18.135 4.346 10.286 1.00 0.00 N ATOM 408 CA PRO A 29 -19.250 3.984 9.406 1.00 0.00 C ATOM 409 C PRO A 29 -19.582 5.088 8.408 1.00 0.00 C ATOM 410 O PRO A 29 -20.409 4.902 7.515 1.00 0.00 O ATOM 411 CB PRO A 29 -20.414 3.773 10.377 1.00 0.00 C ATOM 412 CG PRO A 29 -20.072 4.604 11.565 1.00 0.00 C ATOM 413 CD PRO A 29 -18.572 4.575 11.673 1.00 0.00 C ATOM 0 HA PRO A 29 -19.022 3.109 8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.360 4.085 9.935 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.519 2.722 10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.435 5.625 11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.536 4.205 12.467 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.179 5.512 12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -18.232 3.781 12.338 1.00 0.00 H new ATOM 421 N GLY A 30 -18.933 6.237 8.564 1.00 0.00 N ATOM 422 CA GLY A 30 -19.173 7.353 7.669 1.00 0.00 C ATOM 423 C GLY A 30 -18.308 7.297 6.426 1.00 0.00 C ATOM 424 O GLY A 30 -18.755 7.646 5.334 1.00 0.00 O ATOM 0 H GLY A 30 -18.244 6.415 9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.223 7.361 7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -18.983 8.287 8.198 1.00 0.00 H new ATOM 428 N SER A 31 -17.065 6.856 6.592 1.00 0.00 N ATOM 429 CA SER A 31 -16.132 6.760 5.475 1.00 0.00 C ATOM 430 C SER A 31 -16.709 5.895 4.359 1.00 0.00 C ATOM 431 O SER A 31 -17.730 5.232 4.537 1.00 0.00 O ATOM 432 CB SER A 31 -14.797 6.182 5.946 1.00 0.00 C ATOM 433 OG SER A 31 -14.991 5.209 6.958 1.00 0.00 O ATOM 0 H SER A 31 -16.681 6.560 7.489 1.00 0.00 H new ATOM 0 HA SER A 31 -15.967 7.764 5.084 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.273 5.734 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.163 6.984 6.325 1.00 0.00 H new ATOM 0 HG SER A 31 -15.949 5.025 7.055 1.00 0.00 H new ATOM 439 N SER A 32 -16.046 5.907 3.207 1.00 0.00 N ATOM 440 CA SER A 32 -16.493 5.126 2.059 1.00 0.00 C ATOM 441 C SER A 32 -15.400 5.044 0.999 1.00 0.00 C ATOM 442 O SER A 32 -14.763 6.044 0.669 1.00 0.00 O ATOM 443 CB SER A 32 -17.757 5.743 1.458 1.00 0.00 C ATOM 444 OG SER A 32 -17.710 7.158 1.512 1.00 0.00 O ATOM 0 H SER A 32 -15.197 6.449 3.044 1.00 0.00 H new ATOM 0 HA SER A 32 -16.718 4.116 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.867 5.419 0.423 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.633 5.384 1.999 1.00 0.00 H new ATOM 0 HG SER A 32 -18.529 7.528 1.120 1.00 0.00 H new ATOM 450 N ARG A 33 -15.188 3.844 0.468 1.00 0.00 N ATOM 451 CA ARG A 33 -14.171 3.629 -0.554 1.00 0.00 C ATOM 452 C ARG A 33 -14.134 4.795 -1.537 1.00 0.00 C ATOM 453 O ARG A 33 -15.166 5.306 -1.972 1.00 0.00 O ATOM 454 CB ARG A 33 -14.439 2.323 -1.305 1.00 0.00 C ATOM 455 CG ARG A 33 -14.424 1.093 -0.412 1.00 0.00 C ATOM 456 CD ARG A 33 -13.020 0.527 -0.267 1.00 0.00 C ATOM 457 NE ARG A 33 -12.924 -0.421 0.840 1.00 0.00 N ATOM 458 CZ ARG A 33 -13.473 -1.631 0.821 1.00 0.00 C ATOM 459 NH1 ARG A 33 -14.153 -2.037 -0.242 1.00 0.00 N ATOM 460 NH2 ARG A 33 -13.341 -2.436 1.867 1.00 0.00 N ATOM 0 H ARG A 33 -15.707 3.006 0.729 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.202 3.562 -0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.408 2.391 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.689 2.203 -2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.817 1.351 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.083 0.331 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.731 0.032 -1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.315 1.343 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.407 -0.139 1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.256 -1.420 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.573 -2.966 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.818 -2.126 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.763 -3.365 1.852 1.00 0.00 H new ATOM 474 N PRO A 34 -12.916 5.228 -1.897 1.00 0.00 N ATOM 475 CA PRO A 34 -12.715 6.338 -2.833 1.00 0.00 C ATOM 476 C PRO A 34 -13.114 5.974 -4.258 1.00 0.00 C ATOM 477 O PRO A 34 -13.743 4.943 -4.494 1.00 0.00 O ATOM 478 CB PRO A 34 -11.209 6.603 -2.750 1.00 0.00 C ATOM 479 CG PRO A 34 -10.619 5.306 -2.316 1.00 0.00 C ATOM 480 CD PRO A 34 -11.642 4.666 -1.418 1.00 0.00 C ATOM 0 HA PRO A 34 -13.329 7.202 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.809 6.917 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.986 7.397 -2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.400 4.670 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.679 5.462 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.626 3.579 -1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.465 4.908 -0.370 1.00 0.00 H new ATOM 488 N VAL A 35 -12.744 6.828 -5.208 1.00 0.00 N ATOM 489 CA VAL A 35 -13.062 6.595 -6.612 1.00 0.00 C ATOM 490 C VAL A 35 -11.796 6.506 -7.455 1.00 0.00 C ATOM 491 O VAL A 35 -10.776 7.114 -7.130 1.00 0.00 O ATOM 492 CB VAL A 35 -13.963 7.710 -7.175 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.500 9.072 -6.681 1.00 0.00 C ATOM 494 CG2 VAL A 35 -13.980 7.664 -8.696 1.00 0.00 C ATOM 0 H VAL A 35 -12.224 7.687 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.596 5.646 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.980 7.546 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.149 9.847 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.544 9.098 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.475 9.248 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.621 8.459 -9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.968 7.802 -9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.363 6.699 -9.027 1.00 0.00 H new ATOM 504 N LYS A 36 -11.867 5.743 -8.540 1.00 0.00 N ATOM 505 CA LYS A 36 -10.727 5.573 -9.433 1.00 0.00 C ATOM 506 C LYS A 36 -10.615 6.747 -10.401 1.00 0.00 C ATOM 507 O LYS A 36 -11.561 7.063 -11.120 1.00 0.00 O ATOM 508 CB LYS A 36 -10.855 4.264 -10.215 1.00 0.00 C ATOM 509 CG LYS A 36 -9.930 4.180 -11.417 1.00 0.00 C ATOM 510 CD LYS A 36 -10.147 2.895 -12.199 1.00 0.00 C ATOM 511 CE LYS A 36 -9.765 3.063 -13.662 1.00 0.00 C ATOM 512 NZ LYS A 36 -9.292 1.784 -14.261 1.00 0.00 N ATOM 0 H LYS A 36 -12.703 5.232 -8.823 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.823 5.538 -8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.645 3.429 -9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.886 4.151 -10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.100 5.037 -12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.893 4.234 -11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.555 2.094 -11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.193 2.596 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.625 3.431 -14.222 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.982 3.816 -13.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.041 1.940 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.456 1.446 -13.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.048 1.072 -14.201 1.00 0.00 H new ATOM 526 N GLY A 37 -9.450 7.388 -10.415 1.00 0.00 N ATOM 527 CA GLY A 37 -9.236 8.518 -11.300 1.00 0.00 C ATOM 528 C GLY A 37 -9.037 9.817 -10.543 1.00 0.00 C ATOM 529 O GLY A 37 -8.885 10.877 -11.149 1.00 0.00 O ATOM 0 H GLY A 37 -8.651 7.145 -9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.363 8.327 -11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.090 8.618 -11.970 1.00 0.00 H new ATOM 533 N GLN A 38 -9.040 9.734 -9.217 1.00 0.00 N ATOM 534 CA GLN A 38 -8.861 10.913 -8.378 1.00 0.00 C ATOM 535 C GLN A 38 -7.497 10.894 -7.696 1.00 0.00 C ATOM 536 O GLN A 38 -6.752 9.920 -7.802 1.00 0.00 O ATOM 537 CB GLN A 38 -9.969 10.989 -7.326 1.00 0.00 C ATOM 538 CG GLN A 38 -11.306 11.450 -7.883 1.00 0.00 C ATOM 539 CD GLN A 38 -12.149 12.175 -6.852 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.281 11.780 -6.570 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.601 13.242 -6.284 1.00 0.00 N ATOM 0 H GLN A 38 -9.164 8.863 -8.700 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.915 11.794 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.094 10.007 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.660 11.671 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.133 12.109 -8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.857 10.587 -8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.660 13.534 -6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.121 13.770 -5.583 1.00 0.00 H new ATOM 550 N VAL A 39 -7.176 11.977 -6.996 1.00 0.00 N ATOM 551 CA VAL A 39 -5.902 12.085 -6.296 1.00 0.00 C ATOM 552 C VAL A 39 -5.990 11.483 -4.898 1.00 0.00 C ATOM 553 O VAL A 39 -6.521 12.102 -3.976 1.00 0.00 O ATOM 554 CB VAL A 39 -5.445 13.552 -6.183 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.185 13.656 -5.338 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.221 14.147 -7.565 1.00 0.00 C ATOM 0 H VAL A 39 -7.781 12.792 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.171 11.529 -6.883 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.232 14.123 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.878 14.700 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.385 13.270 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.388 13.073 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.899 15.184 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.453 13.576 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.151 14.108 -8.133 1.00 0.00 H new ATOM 566 N VAL A 40 -5.465 10.271 -4.747 1.00 0.00 N ATOM 567 CA VAL A 40 -5.483 9.585 -3.461 1.00 0.00 C ATOM 568 C VAL A 40 -4.136 9.703 -2.757 1.00 0.00 C ATOM 569 O VAL A 40 -3.095 9.362 -3.321 1.00 0.00 O ATOM 570 CB VAL A 40 -5.835 8.095 -3.624 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.341 7.890 -3.548 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.282 7.557 -4.936 1.00 0.00 C ATOM 0 H VAL A 40 -5.022 9.744 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.250 10.068 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.375 7.540 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.570 6.831 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.707 8.236 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.826 8.456 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.540 6.503 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.712 8.115 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.198 7.668 -4.946 1.00 0.00 H new ATOM 582 N THR A 41 -4.161 10.187 -1.519 1.00 0.00 N ATOM 583 CA THR A 41 -2.943 10.351 -0.737 1.00 0.00 C ATOM 584 C THR A 41 -2.934 9.419 0.469 1.00 0.00 C ATOM 585 O THR A 41 -3.780 9.528 1.357 1.00 0.00 O ATOM 586 CB THR A 41 -2.779 11.803 -0.250 1.00 0.00 C ATOM 587 OG1 THR A 41 -2.976 12.711 -1.340 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.399 12.019 0.354 1.00 0.00 C ATOM 0 H THR A 41 -5.013 10.472 -1.036 1.00 0.00 H new ATOM 0 HA THR A 41 -2.110 10.099 -1.394 1.00 0.00 H new ATOM 0 HB THR A 41 -3.528 11.992 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.872 13.632 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.307 13.052 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.264 11.347 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.637 11.813 -0.397 1.00 0.00 H new ATOM 596 N VAL A 42 -1.972 8.502 0.496 1.00 0.00 N ATOM 597 CA VAL A 42 -1.852 7.551 1.594 1.00 0.00 C ATOM 598 C VAL A 42 -0.407 7.436 2.066 1.00 0.00 C ATOM 599 O VAL A 42 0.510 7.950 1.425 1.00 0.00 O ATOM 600 CB VAL A 42 -2.360 6.155 1.186 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.592 6.273 0.303 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.261 5.374 0.482 1.00 0.00 C ATOM 0 H VAL A 42 -1.264 8.398 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.468 7.930 2.409 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.640 5.610 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.937 5.277 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.381 6.791 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.342 6.835 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.637 4.390 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.948 5.912 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.410 5.259 1.153 1.00 0.00 H new ATOM 612 N HIS A 43 -0.210 6.757 3.192 1.00 0.00 N ATOM 613 CA HIS A 43 1.125 6.573 3.750 1.00 0.00 C ATOM 614 C HIS A 43 1.571 5.119 3.625 1.00 0.00 C ATOM 615 O HIS A 43 0.937 4.215 4.173 1.00 0.00 O ATOM 616 CB HIS A 43 1.152 7.002 5.217 1.00 0.00 C ATOM 617 CG HIS A 43 2.512 6.927 5.839 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.532 6.062 5.634 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 2.950 7.814 6.799 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.559 6.438 6.464 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.183 7.499 7.156 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.958 6.325 3.735 1.00 0.00 H new ATOM 0 HA HIS A 43 1.817 7.197 3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.782 8.024 5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.467 6.371 5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.376 8.637 7.197 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.518 5.947 6.539 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.748 7.991 7.848 1.00 0.00 H new ATOM 630 N LEU A 44 2.662 4.899 2.900 1.00 0.00 N ATOM 631 CA LEU A 44 3.192 3.555 2.703 1.00 0.00 C ATOM 632 C LEU A 44 4.684 3.505 3.017 1.00 0.00 C ATOM 633 O LEU A 44 5.363 4.531 3.006 1.00 0.00 O ATOM 634 CB LEU A 44 2.947 3.095 1.265 1.00 0.00 C ATOM 635 CG LEU A 44 4.115 3.274 0.294 1.00 0.00 C ATOM 636 CD1 LEU A 44 4.612 4.711 0.316 1.00 0.00 C ATOM 637 CD2 LEU A 44 5.243 2.312 0.635 1.00 0.00 C ATOM 0 H LEU A 44 3.197 5.635 2.439 1.00 0.00 H new ATOM 0 HA LEU A 44 2.673 2.883 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.675 2.040 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.088 3.639 0.872 1.00 0.00 H new ATOM 0 HG LEU A 44 3.764 3.049 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.443 4.819 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.803 5.380 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.947 4.965 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.066 2.453 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.593 2.506 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.880 1.287 0.567 1.00 0.00 H new ATOM 649 N GLN A 45 5.186 2.306 3.293 1.00 0.00 N ATOM 650 CA GLN A 45 6.598 2.124 3.609 1.00 0.00 C ATOM 651 C GLN A 45 7.087 0.756 3.145 1.00 0.00 C ATOM 652 O GLN A 45 6.635 -0.278 3.639 1.00 0.00 O ATOM 653 CB GLN A 45 6.831 2.280 5.112 1.00 0.00 C ATOM 654 CG GLN A 45 6.508 3.670 5.637 1.00 0.00 C ATOM 655 CD GLN A 45 7.014 3.892 7.049 1.00 0.00 C ATOM 656 OE1 GLN A 45 8.311 3.691 7.251 1.00 0.00 O flip ATOM 657 NE2 GLN A 45 6.248 4.241 7.948 1.00 0.00 N flip ATOM 0 H GLN A 45 4.637 1.447 3.304 1.00 0.00 H new ATOM 0 HA GLN A 45 7.164 2.891 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.221 1.549 5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.873 2.049 5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.949 4.416 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.429 3.821 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.258 4.384 7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.603 4.387 8.893 1.00 0.00 H new ATOM 666 N THR A 46 8.014 0.756 2.192 1.00 0.00 N ATOM 667 CA THR A 46 8.564 -0.485 1.661 1.00 0.00 C ATOM 668 C THR A 46 9.712 -0.993 2.526 1.00 0.00 C ATOM 669 O THR A 46 10.675 -0.270 2.782 1.00 0.00 O ATOM 670 CB THR A 46 9.066 -0.304 0.216 1.00 0.00 C ATOM 671 OG1 THR A 46 8.127 0.474 -0.535 1.00 0.00 O ATOM 672 CG2 THR A 46 9.270 -1.652 -0.459 1.00 0.00 C ATOM 0 H THR A 46 8.400 1.602 1.772 1.00 0.00 H new ATOM 0 HA THR A 46 7.756 -1.217 1.668 1.00 0.00 H new ATOM 0 HB THR A 46 10.023 0.216 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.454 0.586 -1.452 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.625 -1.499 -1.478 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.007 -2.230 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.325 -2.194 -0.482 1.00 0.00 H new ATOM 680 N SER A 47 9.603 -2.240 2.972 1.00 0.00 N ATOM 681 CA SER A 47 10.632 -2.844 3.812 1.00 0.00 C ATOM 682 C SER A 47 10.782 -4.330 3.503 1.00 0.00 C ATOM 683 O SER A 47 9.797 -5.029 3.264 1.00 0.00 O ATOM 684 CB SER A 47 10.292 -2.650 5.291 1.00 0.00 C ATOM 685 OG SER A 47 9.987 -1.295 5.571 1.00 0.00 O ATOM 0 H SER A 47 8.813 -2.852 2.766 1.00 0.00 H new ATOM 0 HA SER A 47 11.579 -2.349 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.443 -3.280 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.133 -2.971 5.906 1.00 0.00 H new ATOM 0 HG SER A 47 9.772 -1.198 6.522 1.00 0.00 H new ATOM 691 N LEU A 48 12.022 -4.807 3.509 1.00 0.00 N ATOM 692 CA LEU A 48 12.303 -6.211 3.230 1.00 0.00 C ATOM 693 C LEU A 48 11.661 -7.114 4.278 1.00 0.00 C ATOM 694 O LEU A 48 11.503 -6.723 5.434 1.00 0.00 O ATOM 695 CB LEU A 48 13.814 -6.450 3.190 1.00 0.00 C ATOM 696 CG LEU A 48 14.478 -6.320 1.819 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.035 -7.448 0.901 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.159 -4.968 1.199 1.00 0.00 C ATOM 0 H LEU A 48 12.849 -4.242 3.704 1.00 0.00 H new ATOM 0 HA LEU A 48 11.876 -6.455 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.291 -5.745 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.014 -7.450 3.575 1.00 0.00 H new ATOM 0 HG LEU A 48 15.558 -6.391 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.518 -7.338 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.316 -8.406 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.953 -7.410 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.640 -4.893 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.080 -4.867 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.528 -4.174 1.848 1.00 0.00 H new ATOM 710 N GLU A 49 11.295 -8.323 3.866 1.00 0.00 N ATOM 711 CA GLU A 49 10.671 -9.282 4.770 1.00 0.00 C ATOM 712 C GLU A 49 11.534 -9.501 6.010 1.00 0.00 C ATOM 713 O GLU A 49 11.072 -10.045 7.012 1.00 0.00 O ATOM 714 CB GLU A 49 10.439 -10.615 4.055 1.00 0.00 C ATOM 715 CG GLU A 49 9.494 -11.546 4.796 1.00 0.00 C ATOM 716 CD GLU A 49 9.530 -12.963 4.257 1.00 0.00 C ATOM 717 OE1 GLU A 49 10.423 -13.732 4.670 1.00 0.00 O ATOM 718 OE2 GLU A 49 8.664 -13.302 3.423 1.00 0.00 O ATOM 0 H GLU A 49 11.420 -8.662 2.912 1.00 0.00 H new ATOM 0 HA GLU A 49 9.710 -8.875 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.038 -10.419 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.397 -11.116 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.756 -11.557 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.478 -11.159 4.723 1.00 0.00 H new ATOM 725 N ASN A 50 12.790 -9.073 5.933 1.00 0.00 N ATOM 726 CA ASN A 50 13.718 -9.222 7.048 1.00 0.00 C ATOM 727 C ASN A 50 13.614 -8.039 8.005 1.00 0.00 C ATOM 728 O ASN A 50 13.513 -8.215 9.218 1.00 0.00 O ATOM 729 CB ASN A 50 15.152 -9.350 6.531 1.00 0.00 C ATOM 730 CG ASN A 50 15.413 -8.468 5.326 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.505 -7.246 5.445 1.00 0.00 O ATOM 732 ND2 ASN A 50 15.534 -9.084 4.156 1.00 0.00 N ATOM 0 H ASN A 50 13.188 -8.620 5.110 1.00 0.00 H new ATOM 0 HA ASN A 50 13.452 -10.129 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.847 -9.087 7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.349 -10.389 6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.710 -8.542 3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.451 -10.099 4.103 1.00 0.00 H new ATOM 739 N GLY A 51 13.640 -6.831 7.449 1.00 0.00 N ATOM 740 CA GLY A 51 13.547 -5.636 8.267 1.00 0.00 C ATOM 741 C GLY A 51 14.431 -4.515 7.758 1.00 0.00 C ATOM 742 O GLY A 51 15.025 -3.776 8.544 1.00 0.00 O ATOM 0 H GLY A 51 13.724 -6.659 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.512 -5.296 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.827 -5.878 9.292 1.00 0.00 H new ATOM 746 N THR A 52 14.522 -4.388 6.438 1.00 0.00 N ATOM 747 CA THR A 52 15.342 -3.351 5.824 1.00 0.00 C ATOM 748 C THR A 52 14.489 -2.379 5.018 1.00 0.00 C ATOM 749 O THR A 52 13.984 -2.722 3.948 1.00 0.00 O ATOM 750 CB THR A 52 16.418 -3.957 4.904 1.00 0.00 C ATOM 751 OG1 THR A 52 17.187 -4.928 5.623 1.00 0.00 O ATOM 752 CG2 THR A 52 17.339 -2.875 4.361 1.00 0.00 C ATOM 0 H THR A 52 14.037 -4.991 5.773 1.00 0.00 H new ATOM 0 HA THR A 52 15.830 -2.813 6.637 1.00 0.00 H new ATOM 0 HB THR A 52 15.917 -4.439 4.065 1.00 0.00 H new ATOM 0 HG1 THR A 52 16.707 -5.782 5.635 1.00 0.00 H new ATOM 0 HG21 THR A 52 18.090 -3.328 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.755 -2.153 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.832 -2.367 5.190 1.00 0.00 H new ATOM 760 N ARG A 53 14.331 -1.166 5.536 1.00 0.00 N ATOM 761 CA ARG A 53 13.538 -0.145 4.863 1.00 0.00 C ATOM 762 C ARG A 53 14.152 0.220 3.515 1.00 0.00 C ATOM 763 O ARG A 53 15.306 0.641 3.440 1.00 0.00 O ATOM 764 CB ARG A 53 13.426 1.104 5.740 1.00 0.00 C ATOM 765 CG ARG A 53 12.258 1.064 6.711 1.00 0.00 C ATOM 766 CD ARG A 53 11.727 2.459 7.003 1.00 0.00 C ATOM 767 NE ARG A 53 11.115 2.546 8.326 1.00 0.00 N ATOM 768 CZ ARG A 53 10.856 3.695 8.941 1.00 0.00 C ATOM 769 NH1 ARG A 53 11.153 4.846 8.355 1.00 0.00 N ATOM 770 NH2 ARG A 53 10.297 3.693 10.144 1.00 0.00 N ATOM 0 H ARG A 53 14.742 -0.866 6.420 1.00 0.00 H new ATOM 0 HA ARG A 53 12.541 -0.550 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.351 1.226 6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.325 1.980 5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.459 0.449 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.573 0.591 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.542 3.179 6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.993 2.733 6.245 1.00 0.00 H new ATOM 0 HE ARG A 53 10.873 1.678 8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.582 4.851 7.429 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.953 5.726 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.066 2.809 10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.098 4.575 10.616 1.00 0.00 H new ATOM 784 N VAL A 54 13.372 0.056 2.451 1.00 0.00 N ATOM 785 CA VAL A 54 13.838 0.368 1.105 1.00 0.00 C ATOM 786 C VAL A 54 13.370 1.752 0.669 1.00 0.00 C ATOM 787 O VAL A 54 14.173 2.585 0.250 1.00 0.00 O ATOM 788 CB VAL A 54 13.344 -0.674 0.084 1.00 0.00 C ATOM 789 CG1 VAL A 54 13.584 -0.185 -1.336 1.00 0.00 C ATOM 790 CG2 VAL A 54 14.027 -2.013 0.319 1.00 0.00 C ATOM 0 H VAL A 54 12.414 -0.291 2.495 1.00 0.00 H new ATOM 0 HA VAL A 54 14.927 0.348 1.135 1.00 0.00 H new ATOM 0 HB VAL A 54 12.271 -0.810 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.229 -0.934 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.045 0.749 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.650 -0.019 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.667 -2.738 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.105 -1.895 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.799 -2.366 1.325 1.00 0.00 H new ATOM 800 N GLN A 55 12.066 1.990 0.772 1.00 0.00 N ATOM 801 CA GLN A 55 11.491 3.273 0.388 1.00 0.00 C ATOM 802 C GLN A 55 10.615 3.833 1.503 1.00 0.00 C ATOM 803 O GLN A 55 9.706 3.160 1.987 1.00 0.00 O ATOM 804 CB GLN A 55 10.672 3.125 -0.896 1.00 0.00 C ATOM 805 CG GLN A 55 9.510 4.100 -0.991 1.00 0.00 C ATOM 806 CD GLN A 55 9.184 4.481 -2.422 1.00 0.00 C ATOM 807 OE1 GLN A 55 8.631 3.683 -3.179 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.525 5.708 -2.801 1.00 0.00 N ATOM 0 H GLN A 55 11.388 1.311 1.118 1.00 0.00 H new ATOM 0 HA GLN A 55 12.309 3.971 0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.328 3.270 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.287 2.107 -0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.629 3.656 -0.527 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.749 5.000 -0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.982 6.337 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.330 6.021 -3.752 1.00 0.00 H new ATOM 817 N GLU A 56 10.895 5.069 1.906 1.00 0.00 N ATOM 818 CA GLU A 56 10.132 5.718 2.965 1.00 0.00 C ATOM 819 C GLU A 56 9.409 6.953 2.436 1.00 0.00 C ATOM 820 O GLU A 56 10.014 8.009 2.255 1.00 0.00 O ATOM 821 CB GLU A 56 11.054 6.109 4.122 1.00 0.00 C ATOM 822 CG GLU A 56 10.320 6.706 5.311 1.00 0.00 C ATOM 823 CD GLU A 56 11.263 7.244 6.369 1.00 0.00 C ATOM 824 OE1 GLU A 56 12.456 6.877 6.343 1.00 0.00 O ATOM 825 OE2 GLU A 56 10.807 8.033 7.223 1.00 0.00 O ATOM 0 H GLU A 56 11.644 5.640 1.515 1.00 0.00 H new ATOM 0 HA GLU A 56 9.387 5.010 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.604 5.227 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.790 6.828 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.671 7.510 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.677 5.946 5.755 1.00 0.00 H new ATOM 832 N GLU A 57 8.110 6.811 2.191 1.00 0.00 N ATOM 833 CA GLU A 57 7.305 7.915 1.682 1.00 0.00 C ATOM 834 C GLU A 57 6.080 8.147 2.563 1.00 0.00 C ATOM 835 O GLU A 57 5.091 7.417 2.500 1.00 0.00 O ATOM 836 CB GLU A 57 6.865 7.634 0.243 1.00 0.00 C ATOM 837 CG GLU A 57 6.536 8.888 -0.549 1.00 0.00 C ATOM 838 CD GLU A 57 5.953 8.580 -1.914 1.00 0.00 C ATOM 839 OE1 GLU A 57 5.797 7.383 -2.235 1.00 0.00 O ATOM 840 OE2 GLU A 57 5.654 9.534 -2.661 1.00 0.00 O ATOM 0 H GLU A 57 7.593 5.944 2.337 1.00 0.00 H new ATOM 0 HA GLU A 57 7.919 8.816 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.657 7.088 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.989 6.985 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.828 9.494 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.440 9.484 -0.671 1.00 0.00 H new ATOM 847 N PRO A 58 6.147 9.189 3.406 1.00 0.00 N ATOM 848 CA PRO A 58 5.054 9.542 4.316 1.00 0.00 C ATOM 849 C PRO A 58 3.839 10.093 3.577 1.00 0.00 C ATOM 850 O PRO A 58 2.699 9.839 3.964 1.00 0.00 O ATOM 851 CB PRO A 58 5.671 10.621 5.209 1.00 0.00 C ATOM 852 CG PRO A 58 6.758 11.220 4.385 1.00 0.00 C ATOM 853 CD PRO A 58 7.295 10.102 3.534 1.00 0.00 C ATOM 0 HA PRO A 58 4.684 8.675 4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.932 11.370 5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.064 10.194 6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.377 12.033 3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.540 11.640 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.632 10.463 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.147 9.612 4.005 1.00 0.00 H new ATOM 861 N GLU A 59 4.092 10.847 2.512 1.00 0.00 N ATOM 862 CA GLU A 59 3.017 11.433 1.719 1.00 0.00 C ATOM 863 C GLU A 59 3.059 10.921 0.282 1.00 0.00 C ATOM 864 O GLU A 59 3.658 11.545 -0.594 1.00 0.00 O ATOM 865 CB GLU A 59 3.119 12.960 1.731 1.00 0.00 C ATOM 866 CG GLU A 59 1.840 13.658 1.303 1.00 0.00 C ATOM 867 CD GLU A 59 0.886 13.888 2.460 1.00 0.00 C ATOM 868 OE1 GLU A 59 0.760 12.986 3.314 1.00 0.00 O ATOM 869 OE2 GLU A 59 0.265 14.970 2.510 1.00 0.00 O ATOM 0 H GLU A 59 5.031 11.066 2.178 1.00 0.00 H new ATOM 0 HA GLU A 59 2.068 11.135 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.385 13.290 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.929 13.267 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.089 14.616 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.342 13.060 0.540 1.00 0.00 H new ATOM 876 N LEU A 60 2.420 9.780 0.049 1.00 0.00 N ATOM 877 CA LEU A 60 2.384 9.182 -1.281 1.00 0.00 C ATOM 878 C LEU A 60 1.085 9.531 -2.000 1.00 0.00 C ATOM 879 O LEU A 60 -0.004 9.184 -1.543 1.00 0.00 O ATOM 880 CB LEU A 60 2.533 7.662 -1.183 1.00 0.00 C ATOM 881 CG LEU A 60 2.184 6.871 -2.444 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.677 6.804 -2.633 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.849 7.492 -3.664 1.00 0.00 C ATOM 0 H LEU A 60 1.920 9.251 0.763 1.00 0.00 H new ATOM 0 HA LEU A 60 3.217 9.586 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.563 7.435 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.901 7.307 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 60 2.560 5.855 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.448 6.237 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.224 6.313 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.277 7.814 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.590 6.916 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.503 8.519 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.931 7.486 -3.531 1.00 0.00 H new ATOM 895 N VAL A 61 1.207 10.220 -3.131 1.00 0.00 N ATOM 896 CA VAL A 61 0.043 10.614 -3.916 1.00 0.00 C ATOM 897 C VAL A 61 0.120 10.053 -5.331 1.00 0.00 C ATOM 898 O VAL A 61 1.188 10.023 -5.942 1.00 0.00 O ATOM 899 CB VAL A 61 -0.091 12.147 -3.989 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.141 12.761 -4.636 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.351 12.535 -4.748 1.00 0.00 C ATOM 0 H VAL A 61 2.100 10.517 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.833 10.204 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.171 12.536 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.028 13.844 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.024 12.511 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.255 12.368 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.430 13.621 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.303 12.135 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.223 12.127 -4.237 1.00 0.00 H new ATOM 911 N PHE A 62 -1.022 9.610 -5.848 1.00 0.00 N ATOM 912 CA PHE A 62 -1.085 9.049 -7.192 1.00 0.00 C ATOM 913 C PHE A 62 -2.505 9.121 -7.746 1.00 0.00 C ATOM 914 O PHE A 62 -3.437 9.523 -7.048 1.00 0.00 O ATOM 915 CB PHE A 62 -0.601 7.597 -7.186 1.00 0.00 C ATOM 916 CG PHE A 62 -1.519 6.663 -6.449 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.779 6.375 -6.946 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.120 6.074 -5.261 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.626 5.516 -6.270 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.962 5.214 -4.580 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.216 4.934 -5.087 1.00 0.00 C ATOM 0 H PHE A 62 -1.916 9.629 -5.356 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.432 9.639 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.495 7.253 -8.215 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.389 7.554 -6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.104 6.826 -7.872 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.140 6.289 -4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.607 5.301 -6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.640 4.762 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.875 4.261 -4.559 1.00 0.00 H new ATOM 931 N THR A 63 -2.663 8.729 -9.006 1.00 0.00 N ATOM 932 CA THR A 63 -3.968 8.751 -9.655 1.00 0.00 C ATOM 933 C THR A 63 -4.547 7.345 -9.772 1.00 0.00 C ATOM 934 O THR A 63 -4.200 6.593 -10.684 1.00 0.00 O ATOM 935 CB THR A 63 -3.887 9.379 -11.059 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.492 10.752 -10.960 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.227 9.282 -11.774 1.00 0.00 C ATOM 0 H THR A 63 -1.903 8.392 -9.598 1.00 0.00 H new ATOM 0 HA THR A 63 -4.622 9.360 -9.030 1.00 0.00 H new ATOM 0 HB THR A 63 -3.144 8.828 -11.636 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.441 11.143 -11.857 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.145 9.732 -12.763 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.511 8.234 -11.874 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.986 9.810 -11.197 1.00 0.00 H new ATOM 945 N LEU A 64 -5.432 6.996 -8.845 1.00 0.00 N ATOM 946 CA LEU A 64 -6.061 5.680 -8.845 1.00 0.00 C ATOM 947 C LEU A 64 -6.573 5.321 -10.236 1.00 0.00 C ATOM 948 O LEU A 64 -7.303 6.091 -10.858 1.00 0.00 O ATOM 949 CB LEU A 64 -7.214 5.644 -7.839 1.00 0.00 C ATOM 950 CG LEU A 64 -7.846 4.274 -7.592 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.802 3.286 -7.094 1.00 0.00 C ATOM 952 CD2 LEU A 64 -8.993 4.387 -6.598 1.00 0.00 C ATOM 0 H LEU A 64 -5.730 7.606 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.310 4.946 -8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.851 6.032 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.993 6.324 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.245 3.904 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.270 2.317 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.014 3.182 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.372 3.650 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.431 3.402 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.618 4.779 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.753 5.061 -6.994 1.00 0.00 H new ATOM 964 N GLY A 65 -6.186 4.143 -10.718 1.00 0.00 N ATOM 965 CA GLY A 65 -6.618 3.701 -12.031 1.00 0.00 C ATOM 966 C GLY A 65 -5.461 3.545 -12.998 1.00 0.00 C ATOM 967 O GLY A 65 -5.445 2.622 -13.813 1.00 0.00 O ATOM 0 H GLY A 65 -5.581 3.488 -10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.140 2.749 -11.937 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.332 4.418 -12.436 1.00 0.00 H new ATOM 971 N ASP A 66 -4.492 4.449 -12.910 1.00 0.00 N ATOM 972 CA ASP A 66 -3.326 4.407 -13.785 1.00 0.00 C ATOM 973 C ASP A 66 -2.238 3.512 -13.200 1.00 0.00 C ATOM 974 O ASP A 66 -1.230 3.236 -13.851 1.00 0.00 O ATOM 975 CB ASP A 66 -2.778 5.818 -14.008 1.00 0.00 C ATOM 976 CG ASP A 66 -1.935 5.920 -15.264 1.00 0.00 C ATOM 977 OD1 ASP A 66 -2.206 5.168 -16.223 1.00 0.00 O ATOM 978 OD2 ASP A 66 -1.006 6.754 -15.288 1.00 0.00 O ATOM 0 H ASP A 66 -4.491 5.220 -12.242 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.637 3.990 -14.743 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.608 6.521 -14.073 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.178 6.112 -13.147 1.00 0.00 H new ATOM 983 N CYS A 67 -2.449 3.064 -11.967 1.00 0.00 N ATOM 984 CA CYS A 67 -1.485 2.201 -11.292 1.00 0.00 C ATOM 985 C CYS A 67 -0.106 2.852 -11.254 1.00 0.00 C ATOM 986 O CYS A 67 0.911 2.186 -11.448 1.00 0.00 O ATOM 987 CB CYS A 67 -1.403 0.845 -11.995 1.00 0.00 C ATOM 988 SG CYS A 67 -0.940 -0.523 -10.907 1.00 0.00 S ATOM 0 H CYS A 67 -3.278 3.284 -11.415 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.824 2.051 -10.267 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.369 0.624 -12.448 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.678 0.911 -12.806 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.899 -1.627 -11.592 1.00 0.00 H new ATOM 994 N ASP A 68 -0.080 4.157 -11.006 1.00 0.00 N ATOM 995 CA ASP A 68 1.174 4.898 -10.944 1.00 0.00 C ATOM 996 C ASP A 68 2.029 4.422 -9.774 1.00 0.00 C ATOM 997 O ASP A 68 3.207 4.765 -9.672 1.00 0.00 O ATOM 998 CB ASP A 68 0.899 6.397 -10.814 1.00 0.00 C ATOM 999 CG ASP A 68 2.001 7.243 -11.419 1.00 0.00 C ATOM 1000 OD1 ASP A 68 2.184 7.184 -12.653 1.00 0.00 O ATOM 1001 OD2 ASP A 68 2.683 7.963 -10.660 1.00 0.00 O ATOM 0 H ASP A 68 -0.913 4.723 -10.845 1.00 0.00 H new ATOM 0 HA ASP A 68 1.722 4.716 -11.869 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.046 6.634 -11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.786 6.652 -9.760 1.00 0.00 H new ATOM 1006 N VAL A 69 1.428 3.630 -8.891 1.00 0.00 N ATOM 1007 CA VAL A 69 2.134 3.107 -7.728 1.00 0.00 C ATOM 1008 C VAL A 69 2.250 1.588 -7.793 1.00 0.00 C ATOM 1009 O VAL A 69 1.853 0.967 -8.780 1.00 0.00 O ATOM 1010 CB VAL A 69 1.426 3.501 -6.418 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.538 4.999 -6.180 1.00 0.00 C ATOM 1012 CG2 VAL A 69 -0.031 3.065 -6.448 1.00 0.00 C ATOM 0 H VAL A 69 0.453 3.337 -8.960 1.00 0.00 H new ATOM 0 HA VAL A 69 3.132 3.546 -7.739 1.00 0.00 H new ATOM 0 HB VAL A 69 1.918 2.988 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.032 5.259 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.589 5.279 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.073 5.535 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.516 3.351 -5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.538 3.548 -7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.085 1.983 -6.568 1.00 0.00 H new ATOM 1022 N ILE A 70 2.796 0.996 -6.736 1.00 0.00 N ATOM 1023 CA ILE A 70 2.962 -0.450 -6.673 1.00 0.00 C ATOM 1024 C ILE A 70 1.649 -1.168 -6.965 1.00 0.00 C ATOM 1025 O ILE A 70 0.571 -0.654 -6.671 1.00 0.00 O ATOM 1026 CB ILE A 70 3.483 -0.897 -5.294 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.604 0.031 -4.823 1.00 0.00 C ATOM 1028 CG2 ILE A 70 3.970 -2.338 -5.353 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.638 0.320 -5.889 1.00 0.00 C ATOM 0 H ILE A 70 3.131 1.496 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 70 3.696 -0.717 -7.434 1.00 0.00 H new ATOM 0 HB ILE A 70 2.664 -0.840 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.168 0.972 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.098 -0.418 -3.961 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.335 -2.639 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.147 -2.988 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.777 -2.420 -6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.402 0.984 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.101 -0.613 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.157 0.798 -6.742 1.00 0.00 H new ATOM 1041 N GLN A 71 1.749 -2.361 -7.544 1.00 0.00 N ATOM 1042 CA GLN A 71 0.569 -3.150 -7.874 1.00 0.00 C ATOM 1043 C GLN A 71 -0.076 -3.719 -6.615 1.00 0.00 C ATOM 1044 O GLN A 71 -1.198 -4.223 -6.654 1.00 0.00 O ATOM 1045 CB GLN A 71 0.940 -4.287 -8.829 1.00 0.00 C ATOM 1046 CG GLN A 71 0.854 -3.901 -10.297 1.00 0.00 C ATOM 1047 CD GLN A 71 0.616 -5.094 -11.201 1.00 0.00 C ATOM 1048 OE1 GLN A 71 -0.041 -4.982 -12.236 1.00 0.00 O ATOM 1049 NE2 GLN A 71 1.150 -6.247 -10.814 1.00 0.00 N ATOM 0 H GLN A 71 2.635 -2.801 -7.794 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.150 -2.493 -8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.954 -4.619 -8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.280 -5.135 -8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.047 -3.181 -10.433 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.778 -3.404 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.688 -6.295 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.023 -7.084 -11.382 1.00 0.00 H new ATOM 1058 N ALA A 72 0.641 -3.634 -5.499 1.00 0.00 N ATOM 1059 CA ALA A 72 0.137 -4.139 -4.228 1.00 0.00 C ATOM 1060 C ALA A 72 -0.542 -3.032 -3.428 1.00 0.00 C ATOM 1061 O ALA A 72 -1.263 -3.300 -2.466 1.00 0.00 O ATOM 1062 CB ALA A 72 1.268 -4.758 -3.420 1.00 0.00 C ATOM 0 H ALA A 72 1.572 -3.220 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.607 -4.907 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.877 -5.131 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.707 -5.583 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.031 -4.004 -3.226 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.308 -1.788 -3.832 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.897 -0.640 -3.152 1.00 0.00 C ATOM 1070 C LEU A 73 -2.111 -0.119 -3.916 1.00 0.00 C ATOM 1071 O LEU A 73 -3.138 0.208 -3.321 1.00 0.00 O ATOM 1072 CB LEU A 73 0.140 0.474 -2.998 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.414 1.893 -2.865 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.239 2.027 -1.595 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.717 2.911 -2.878 1.00 0.00 C ATOM 0 H LEU A 73 0.285 -1.549 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.224 -0.962 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.747 0.259 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.806 0.445 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.063 2.090 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.625 3.043 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.072 1.324 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.613 1.810 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.304 3.915 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.392 2.716 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.266 2.833 -3.816 1.00 0.00 H new ATOM 1087 N ASP A 74 -1.985 -0.046 -5.236 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.073 0.432 -6.082 1.00 0.00 C ATOM 1089 C ASP A 74 -4.206 -0.588 -6.139 1.00 0.00 C ATOM 1090 O ASP A 74 -5.370 -0.229 -6.320 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.560 0.722 -7.494 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.410 1.745 -8.220 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -3.281 2.949 -7.915 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -4.205 1.342 -9.095 1.00 0.00 O ATOM 0 H ASP A 74 -1.141 -0.311 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.460 1.354 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.533 1.082 -7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.542 -0.204 -8.068 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.858 -1.860 -5.984 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.845 -2.933 -6.018 1.00 0.00 C ATOM 1101 C LEU A 75 -5.502 -3.113 -4.653 1.00 0.00 C ATOM 1102 O LEU A 75 -6.414 -3.924 -4.493 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.189 -4.243 -6.458 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.808 -4.340 -7.935 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.122 -3.063 -8.395 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.912 -5.546 -8.177 1.00 0.00 C ATOM 0 H LEU A 75 -2.899 -2.174 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.616 -2.660 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.290 -4.394 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.868 -5.063 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.720 -4.468 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.858 -3.151 -9.449 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.797 -2.218 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.218 -2.903 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.651 -5.599 -9.234 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.003 -5.449 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.439 -6.455 -7.888 1.00 0.00 H new ATOM 1118 N SER A 76 -5.033 -2.349 -3.671 1.00 0.00 N ATOM 1119 CA SER A 76 -5.573 -2.425 -2.319 1.00 0.00 C ATOM 1120 C SER A 76 -6.215 -1.102 -1.915 1.00 0.00 C ATOM 1121 O SER A 76 -7.125 -1.067 -1.087 1.00 0.00 O ATOM 1122 CB SER A 76 -4.469 -2.794 -1.326 1.00 0.00 C ATOM 1123 OG SER A 76 -3.304 -2.017 -1.547 1.00 0.00 O ATOM 0 H SER A 76 -4.280 -1.671 -3.787 1.00 0.00 H new ATOM 0 HA SER A 76 -6.339 -3.200 -2.304 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.825 -2.640 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.228 -3.853 -1.422 1.00 0.00 H new ATOM 0 HG SER A 76 -2.584 -2.594 -1.878 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.734 -0.013 -2.507 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.260 1.314 -2.211 1.00 0.00 C ATOM 1131 C VAL A 77 -7.781 1.337 -2.312 1.00 0.00 C ATOM 1132 O VAL A 77 -8.485 1.705 -1.372 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.677 2.375 -3.163 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.682 3.492 -3.398 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.372 2.928 -2.609 1.00 0.00 C ATOM 0 H VAL A 77 -4.981 -0.024 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.963 1.551 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.466 1.901 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.252 4.232 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.588 3.079 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.927 3.967 -2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.974 3.676 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.555 3.387 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.651 2.118 -2.498 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.302 0.935 -3.481 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.746 0.899 -3.734 1.00 0.00 C ATOM 1147 C PRO A 78 -10.447 -0.193 -2.933 1.00 0.00 C ATOM 1148 O PRO A 78 -11.655 -0.396 -3.066 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.836 0.604 -5.233 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.565 -0.101 -5.558 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.522 0.483 -4.646 1.00 0.00 C ATOM 0 HA PRO A 78 -10.235 1.827 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.702 -0.016 -5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.938 1.522 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.663 -1.175 -5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.294 0.045 -6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.773 -0.258 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.991 1.309 -5.119 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.684 -0.893 -2.101 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.233 -1.965 -1.278 1.00 0.00 C ATOM 1161 C LEU A 79 -10.288 -1.551 0.189 1.00 0.00 C ATOM 1162 O LEU A 79 -10.558 -2.371 1.066 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.393 -3.234 -1.431 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.130 -3.696 -2.864 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.683 -5.150 -2.883 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.373 -3.507 -3.722 1.00 0.00 C ATOM 0 H LEU A 79 -8.683 -0.738 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.249 -2.167 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.433 -3.071 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.891 -4.042 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.329 -3.086 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.501 -5.461 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.766 -5.256 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.462 -5.776 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.167 -3.841 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.194 -4.092 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.649 -2.453 -3.735 1.00 0.00 H new ATOM 1178 N MET A 80 -10.031 -0.273 0.448 1.00 0.00 N ATOM 1179 CA MET A 80 -10.055 0.251 1.809 1.00 0.00 C ATOM 1180 C MET A 80 -10.786 1.588 1.864 1.00 0.00 C ATOM 1181 O MET A 80 -10.670 2.408 0.953 1.00 0.00 O ATOM 1182 CB MET A 80 -8.629 0.413 2.340 1.00 0.00 C ATOM 1183 CG MET A 80 -7.649 0.931 1.300 1.00 0.00 C ATOM 1184 SD MET A 80 -5.929 0.684 1.783 1.00 0.00 S ATOM 1185 CE MET A 80 -5.862 1.640 3.297 1.00 0.00 C ATOM 0 H MET A 80 -9.804 0.419 -0.266 1.00 0.00 H new ATOM 0 HA MET A 80 -10.590 -0.461 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.641 1.097 3.188 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.277 -0.549 2.712 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.832 0.427 0.351 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.827 1.994 1.136 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.975 2.274 3.288 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.753 2.264 3.373 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.817 0.965 4.152 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.539 1.801 2.938 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.289 3.040 3.112 1.00 0.00 C ATOM 1197 C ASP A 81 -11.384 4.155 3.628 1.00 0.00 C ATOM 1198 O ASP A 81 -10.362 3.896 4.263 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.454 2.824 4.079 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.491 1.863 3.531 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -15.220 2.248 2.593 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -14.572 0.725 4.039 1.00 0.00 O ATOM 0 H ASP A 81 -11.646 1.132 3.701 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.683 3.337 2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.071 2.440 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.928 3.782 4.292 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.767 5.397 3.349 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.991 6.552 3.784 1.00 0.00 C ATOM 1209 C VAL A 82 -10.932 6.633 5.305 1.00 0.00 C ATOM 1210 O VAL A 82 -11.956 6.789 5.969 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.580 7.864 3.233 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -13.096 7.861 3.354 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.981 9.061 3.955 1.00 0.00 C ATOM 0 H VAL A 82 -12.610 5.629 2.824 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.983 6.422 3.391 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.324 7.941 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.494 8.796 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.505 7.025 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.377 7.760 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.408 9.980 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.204 8.993 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.901 9.070 3.810 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.724 6.527 5.851 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.554 6.591 7.291 1.00 0.00 C ATOM 1225 C GLY A 83 -9.288 5.230 7.905 1.00 0.00 C ATOM 1226 O GLY A 83 -9.297 5.082 9.126 1.00 0.00 O ATOM 0 H GLY A 83 -8.861 6.398 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.727 7.260 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.449 7.020 7.741 1.00 0.00 H new ATOM 1230 N GLU A 84 -9.053 4.235 7.055 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.787 2.880 7.522 1.00 0.00 C ATOM 1232 C GLU A 84 -7.381 2.436 7.129 1.00 0.00 C ATOM 1233 O GLU A 84 -7.022 2.441 5.951 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.820 1.907 6.950 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.343 0.465 6.913 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.363 -0.471 6.295 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.565 -0.327 6.603 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.959 -1.349 5.503 1.00 0.00 O ATOM 0 H GLU A 84 -9.042 4.342 6.041 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.860 2.877 8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.730 1.964 7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.081 2.220 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.413 0.408 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.119 0.134 7.927 1.00 0.00 H new ATOM 1245 N THR A 85 -6.588 2.051 8.124 1.00 0.00 N ATOM 1246 CA THR A 85 -5.221 1.605 7.884 1.00 0.00 C ATOM 1247 C THR A 85 -5.173 0.109 7.598 1.00 0.00 C ATOM 1248 O THR A 85 -5.509 -0.708 8.455 1.00 0.00 O ATOM 1249 CB THR A 85 -4.309 1.916 9.086 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.338 3.319 9.373 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.879 1.480 8.807 1.00 0.00 C ATOM 0 H THR A 85 -6.869 2.039 9.104 1.00 0.00 H new ATOM 0 HA THR A 85 -4.859 2.151 7.012 1.00 0.00 H new ATOM 0 HB THR A 85 -4.680 1.361 9.948 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.757 3.508 10.139 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.254 1.710 9.670 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.856 0.407 8.618 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.501 2.011 7.933 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.753 -0.245 6.388 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.658 -1.644 5.990 1.00 0.00 C ATOM 1261 C ALA A 86 -3.273 -1.966 5.441 1.00 0.00 C ATOM 1262 O ALA A 86 -2.652 -1.140 4.773 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.727 -1.973 4.958 1.00 0.00 C ATOM 0 H ALA A 86 -4.473 0.419 5.666 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.821 -2.259 6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.644 -3.021 4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.713 -1.791 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.590 -1.343 4.079 1.00 0.00 H new ATOM 1269 N MET A 87 -2.793 -3.172 5.729 1.00 0.00 N ATOM 1270 CA MET A 87 -1.480 -3.603 5.263 1.00 0.00 C ATOM 1271 C MET A 87 -1.604 -4.472 4.016 1.00 0.00 C ATOM 1272 O MET A 87 -2.651 -5.070 3.765 1.00 0.00 O ATOM 1273 CB MET A 87 -0.752 -4.373 6.366 1.00 0.00 C ATOM 1274 CG MET A 87 0.631 -4.855 5.959 1.00 0.00 C ATOM 1275 SD MET A 87 1.676 -5.245 7.376 1.00 0.00 S ATOM 1276 CE MET A 87 2.357 -3.631 7.749 1.00 0.00 C ATOM 0 H MET A 87 -3.293 -3.867 6.282 1.00 0.00 H new ATOM 0 HA MET A 87 -0.902 -2.714 5.008 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.661 -3.734 7.245 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.356 -5.232 6.658 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.533 -5.740 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.116 -4.088 5.355 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.970 -3.694 8.648 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.971 -3.293 6.914 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.545 -2.922 7.912 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.529 -4.539 3.237 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.518 -5.336 2.016 1.00 0.00 C ATOM 1288 C VAL A 88 0.837 -6.003 1.808 1.00 0.00 C ATOM 1289 O VAL A 88 1.881 -5.356 1.899 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.850 -4.477 0.782 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -2.176 -3.756 0.974 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.270 -3.486 0.506 1.00 0.00 C ATOM 0 H VAL A 88 0.346 -4.051 3.430 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.284 -6.103 2.132 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.943 -5.135 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.394 -3.154 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.971 -4.488 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.115 -3.109 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.019 -2.887 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.398 -2.832 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.198 -4.028 0.321 1.00 0.00 H new ATOM 1302 N THR A 89 0.815 -7.302 1.527 1.00 0.00 N ATOM 1303 CA THR A 89 2.041 -8.058 1.306 1.00 0.00 C ATOM 1304 C THR A 89 1.973 -8.848 0.004 1.00 0.00 C ATOM 1305 O THR A 89 1.336 -9.898 -0.063 1.00 0.00 O ATOM 1306 CB THR A 89 2.319 -9.030 2.469 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.194 -9.893 2.666 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.611 -8.268 3.753 1.00 0.00 C ATOM 0 H THR A 89 -0.040 -7.853 1.447 1.00 0.00 H new ATOM 0 HA THR A 89 2.853 -7.333 1.246 1.00 0.00 H new ATOM 0 HB THR A 89 3.194 -9.627 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.894 -10.242 1.801 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.804 -8.975 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.486 -7.634 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.752 -7.648 4.012 1.00 0.00 H new ATOM 1316 N ALA A 90 2.635 -8.335 -1.028 1.00 0.00 N ATOM 1317 CA ALA A 90 2.651 -8.995 -2.328 1.00 0.00 C ATOM 1318 C ALA A 90 4.072 -9.376 -2.732 1.00 0.00 C ATOM 1319 O ALA A 90 5.038 -8.738 -2.314 1.00 0.00 O ATOM 1320 CB ALA A 90 2.023 -8.097 -3.384 1.00 0.00 C ATOM 0 H ALA A 90 3.167 -7.465 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 90 2.065 -9.911 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.042 -8.603 -4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.991 -7.878 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.586 -7.166 -3.451 1.00 0.00 H new ATOM 1326 N ASP A 91 4.190 -10.419 -3.546 1.00 0.00 N ATOM 1327 CA ASP A 91 5.493 -10.884 -4.007 1.00 0.00 C ATOM 1328 C ASP A 91 6.203 -9.801 -4.813 1.00 0.00 C ATOM 1329 O ASP A 91 5.562 -8.931 -5.402 1.00 0.00 O ATOM 1330 CB ASP A 91 5.336 -12.148 -4.855 1.00 0.00 C ATOM 1331 CG ASP A 91 6.570 -12.445 -5.685 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.689 -12.345 -5.141 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.416 -12.776 -6.879 1.00 0.00 O ATOM 0 H ASP A 91 3.400 -10.958 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 91 6.099 -11.116 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.128 -12.996 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.476 -12.035 -5.515 1.00 0.00 H new ATOM 1338 N SER A 92 7.531 -9.861 -4.834 1.00 0.00 N ATOM 1339 CA SER A 92 8.329 -8.882 -5.563 1.00 0.00 C ATOM 1340 C SER A 92 7.729 -8.609 -6.939 1.00 0.00 C ATOM 1341 O SER A 92 7.742 -7.477 -7.422 1.00 0.00 O ATOM 1342 CB SER A 92 9.770 -9.375 -5.711 1.00 0.00 C ATOM 1343 OG SER A 92 9.882 -10.311 -6.770 1.00 0.00 O ATOM 0 H SER A 92 8.077 -10.577 -4.355 1.00 0.00 H new ATOM 0 HA SER A 92 8.328 -7.952 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.430 -8.528 -5.898 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.098 -9.835 -4.779 1.00 0.00 H new ATOM 0 HG SER A 92 10.236 -9.863 -7.567 1.00 0.00 H new ATOM 1349 N LYS A 93 7.204 -9.656 -7.567 1.00 0.00 N ATOM 1350 CA LYS A 93 6.597 -9.532 -8.887 1.00 0.00 C ATOM 1351 C LYS A 93 5.573 -8.403 -8.911 1.00 0.00 C ATOM 1352 O LYS A 93 5.480 -7.657 -9.886 1.00 0.00 O ATOM 1353 CB LYS A 93 5.930 -10.849 -9.289 1.00 0.00 C ATOM 1354 CG LYS A 93 4.628 -11.121 -8.555 1.00 0.00 C ATOM 1355 CD LYS A 93 3.906 -12.329 -9.128 1.00 0.00 C ATOM 1356 CE LYS A 93 4.617 -13.625 -8.770 1.00 0.00 C ATOM 1357 NZ LYS A 93 4.069 -14.785 -9.525 1.00 0.00 N ATOM 0 H LYS A 93 7.187 -10.601 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 93 7.386 -9.298 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.737 -10.836 -10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.622 -11.670 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.833 -11.287 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.982 -10.245 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.884 -12.357 -8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.842 -12.235 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.682 -13.525 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.519 -13.809 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.580 -15.649 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.059 -14.896 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.185 -14.621 -10.545 1.00 0.00 H new ATOM 1371 N TYR A 94 4.807 -8.281 -7.832 1.00 0.00 N ATOM 1372 CA TYR A 94 3.789 -7.243 -7.731 1.00 0.00 C ATOM 1373 C TYR A 94 4.390 -5.938 -7.216 1.00 0.00 C ATOM 1374 O TYR A 94 3.815 -4.864 -7.394 1.00 0.00 O ATOM 1375 CB TYR A 94 2.658 -7.696 -6.806 1.00 0.00 C ATOM 1376 CG TYR A 94 1.849 -8.848 -7.358 1.00 0.00 C ATOM 1377 CD1 TYR A 94 0.869 -8.635 -8.320 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.063 -10.148 -6.918 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.126 -9.684 -8.827 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.327 -11.203 -7.421 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.359 -10.966 -8.375 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.378 -12.014 -8.877 1.00 0.00 O ATOM 0 H TYR A 94 4.872 -8.888 -7.015 1.00 0.00 H new ATOM 0 HA TYR A 94 3.386 -7.068 -8.728 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.081 -7.988 -5.845 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.993 -6.853 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.685 -7.633 -8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.818 -10.337 -6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.633 -9.501 -9.573 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.508 -12.208 -7.069 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.089 -12.849 -8.454 1.00 0.00 H new ATOM 1392 N CYS A 95 5.550 -6.042 -6.577 1.00 0.00 N ATOM 1393 CA CYS A 95 6.231 -4.871 -6.035 1.00 0.00 C ATOM 1394 C CYS A 95 7.000 -4.135 -7.127 1.00 0.00 C ATOM 1395 O CYS A 95 6.656 -3.010 -7.492 1.00 0.00 O ATOM 1396 CB CYS A 95 7.185 -5.284 -4.913 1.00 0.00 C ATOM 1397 SG CYS A 95 6.374 -6.097 -3.516 1.00 0.00 S ATOM 0 H CYS A 95 6.038 -6.924 -6.422 1.00 0.00 H new ATOM 0 HA CYS A 95 5.476 -4.197 -5.631 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.940 -5.955 -5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.708 -4.399 -4.551 1.00 0.00 H new ATOM 0 HG CYS A 95 5.959 -7.274 -3.880 1.00 0.00 H new ATOM 1403 N TYR A 96 8.042 -4.776 -7.644 1.00 0.00 N ATOM 1404 CA TYR A 96 8.863 -4.181 -8.692 1.00 0.00 C ATOM 1405 C TYR A 96 9.042 -5.147 -9.858 1.00 0.00 C ATOM 1406 O TYR A 96 9.075 -4.739 -11.019 1.00 0.00 O ATOM 1407 CB TYR A 96 10.229 -3.779 -8.133 1.00 0.00 C ATOM 1408 CG TYR A 96 10.168 -2.632 -7.149 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.730 -2.831 -5.846 1.00 0.00 C ATOM 1410 CD2 TYR A 96 10.548 -1.349 -7.524 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.672 -1.786 -4.945 1.00 0.00 C ATOM 1412 CE2 TYR A 96 10.495 -0.299 -6.629 1.00 0.00 C ATOM 1413 CZ TYR A 96 10.055 -0.522 -5.341 1.00 0.00 C ATOM 1414 OH TYR A 96 10.000 0.522 -4.445 1.00 0.00 O ATOM 0 H TYR A 96 8.338 -5.708 -7.354 1.00 0.00 H new ATOM 0 HA TYR A 96 8.351 -3.290 -9.057 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.680 -4.642 -7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.883 -3.503 -8.960 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.430 -3.820 -5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.891 -1.170 -8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.328 -1.958 -3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.796 0.692 -6.936 1.00 0.00 H new ATOM 0 HH TYR A 96 10.305 1.344 -4.882 1.00 0.00 H new ATOM 1424 N GLY A 97 9.157 -6.433 -9.541 1.00 0.00 N ATOM 1425 CA GLY A 97 9.331 -7.439 -10.572 1.00 0.00 C ATOM 1426 C GLY A 97 10.400 -8.454 -10.218 1.00 0.00 C ATOM 1427 O GLY A 97 11.251 -8.217 -9.360 1.00 0.00 O ATOM 0 H GLY A 97 9.133 -6.796 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.385 -7.955 -10.735 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.594 -6.951 -11.510 1.00 0.00 H new ATOM 1431 N PRO A 98 10.364 -9.616 -10.887 1.00 0.00 N ATOM 1432 CA PRO A 98 11.330 -10.694 -10.655 1.00 0.00 C ATOM 1433 C PRO A 98 12.727 -10.338 -11.151 1.00 0.00 C ATOM 1434 O PRO A 98 13.662 -11.126 -11.015 1.00 0.00 O ATOM 1435 CB PRO A 98 10.757 -11.863 -11.460 1.00 0.00 C ATOM 1436 CG PRO A 98 9.941 -11.222 -12.529 1.00 0.00 C ATOM 1437 CD PRO A 98 9.378 -9.966 -11.924 1.00 0.00 C ATOM 0 HA PRO A 98 11.453 -10.910 -9.594 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.550 -12.479 -11.883 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.148 -12.514 -10.833 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.552 -10.994 -13.403 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.143 -11.886 -12.862 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.276 -9.174 -12.665 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.389 -10.133 -11.498 1.00 0.00 H new ATOM 1445 N GLN A 99 12.860 -9.147 -11.727 1.00 0.00 N ATOM 1446 CA GLN A 99 14.144 -8.688 -12.244 1.00 0.00 C ATOM 1447 C GLN A 99 14.825 -7.749 -11.254 1.00 0.00 C ATOM 1448 O GLN A 99 16.051 -7.654 -11.216 1.00 0.00 O ATOM 1449 CB GLN A 99 13.953 -7.981 -13.587 1.00 0.00 C ATOM 1450 CG GLN A 99 13.149 -6.695 -13.489 1.00 0.00 C ATOM 1451 CD GLN A 99 13.156 -5.903 -14.781 1.00 0.00 C ATOM 1452 OE1 GLN A 99 14.074 -6.025 -15.593 1.00 0.00 O ATOM 1453 NE2 GLN A 99 12.130 -5.084 -14.979 1.00 0.00 N ATOM 0 H GLN A 99 12.095 -8.483 -11.847 1.00 0.00 H new ATOM 0 HA GLN A 99 14.782 -9.560 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.931 -7.756 -14.012 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.453 -8.660 -14.278 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.120 -6.934 -13.219 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.554 -6.078 -12.687 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.391 -5.014 -14.280 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.081 -4.525 -15.831 1.00 0.00 H new ATOM 1462 N GLY A 100 14.021 -7.057 -10.453 1.00 0.00 N ATOM 1463 CA GLY A 100 14.565 -6.134 -9.474 1.00 0.00 C ATOM 1464 C GLY A 100 14.284 -4.686 -9.824 1.00 0.00 C ATOM 1465 O GLY A 100 13.669 -4.396 -10.850 1.00 0.00 O ATOM 0 H GLY A 100 13.003 -7.119 -10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.142 -6.357 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.642 -6.284 -9.397 1.00 0.00 H new ATOM 1529 N TYR A 105 16.905 0.545 -5.333 1.00 0.00 N ATOM 1530 CA TYR A 105 17.132 -0.813 -5.814 1.00 0.00 C ATOM 1531 C TYR A 105 16.501 -1.837 -4.876 1.00 0.00 C ATOM 1532 O TYR A 105 16.372 -1.598 -3.675 1.00 0.00 O ATOM 1533 CB TYR A 105 18.632 -1.084 -5.948 1.00 0.00 C ATOM 1534 CG TYR A 105 18.961 -2.527 -6.257 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.764 -3.523 -5.309 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.470 -2.894 -7.497 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.064 -4.843 -5.586 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.771 -4.211 -7.784 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.567 -5.182 -6.825 1.00 0.00 C ATOM 1540 OH TYR A 105 19.867 -6.495 -7.107 1.00 0.00 O ATOM 0 HA TYR A 105 16.663 -0.907 -6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.038 -0.451 -6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.129 -0.797 -5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.369 -3.261 -4.338 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.633 -2.136 -8.249 1.00 0.00 H new ATOM 0 HE1 TYR A 105 18.906 -5.605 -4.837 1.00 0.00 H new ATOM 0 HE2 TYR A 105 20.164 -4.479 -8.754 1.00 0.00 H new ATOM 0 HH TYR A 105 20.210 -6.563 -8.023 1.00 0.00 H new ATOM 1550 N ILE A 106 16.109 -2.977 -5.433 1.00 0.00 N ATOM 1551 CA ILE A 106 15.492 -4.039 -4.647 1.00 0.00 C ATOM 1552 C ILE A 106 15.785 -5.409 -5.249 1.00 0.00 C ATOM 1553 O ILE A 106 15.811 -5.587 -6.467 1.00 0.00 O ATOM 1554 CB ILE A 106 13.967 -3.851 -4.545 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.277 -4.419 -5.787 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.626 -2.378 -4.370 1.00 0.00 C ATOM 1557 CD1 ILE A 106 13.038 -5.911 -5.715 1.00 0.00 C ATOM 0 H ILE A 106 16.207 -3.190 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 106 15.924 -3.984 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 106 13.606 -4.394 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.322 -3.912 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.886 -4.198 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.545 -2.261 -4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.092 -2.002 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.997 -1.814 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.546 -6.245 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.992 -6.427 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.404 -6.137 -4.858 1.00 0.00 H new ATOM 1569 N PRO A 107 16.009 -6.403 -4.376 1.00 0.00 N ATOM 1570 CA PRO A 107 16.301 -7.776 -4.798 1.00 0.00 C ATOM 1571 C PRO A 107 15.089 -8.462 -5.419 1.00 0.00 C ATOM 1572 O PRO A 107 13.947 -8.241 -5.016 1.00 0.00 O ATOM 1573 CB PRO A 107 16.699 -8.471 -3.493 1.00 0.00 C ATOM 1574 CG PRO A 107 16.022 -7.685 -2.424 1.00 0.00 C ATOM 1575 CD PRO A 107 15.993 -6.263 -2.910 1.00 0.00 C ATOM 0 HA PRO A 107 17.072 -7.811 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.376 -9.512 -3.484 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.781 -8.472 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.013 -8.057 -2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.562 -7.764 -1.480 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.101 -5.739 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.853 -5.698 -2.551 1.00 0.00 H new ATOM 1583 N PRO A 108 15.341 -9.317 -6.421 1.00 0.00 N ATOM 1584 CA PRO A 108 14.282 -10.054 -7.118 1.00 0.00 C ATOM 1585 C PRO A 108 13.644 -11.122 -6.237 1.00 0.00 C ATOM 1586 O PRO A 108 14.260 -11.608 -5.288 1.00 0.00 O ATOM 1587 CB PRO A 108 15.016 -10.699 -8.296 1.00 0.00 C ATOM 1588 CG PRO A 108 16.431 -10.814 -7.844 1.00 0.00 C ATOM 1589 CD PRO A 108 16.678 -9.629 -6.953 1.00 0.00 C ATOM 0 HA PRO A 108 13.460 -9.404 -7.416 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.597 -11.676 -8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.936 -10.088 -9.195 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.594 -11.748 -7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 108 17.114 -10.812 -8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.382 -9.866 -6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 108 17.096 -8.789 -7.508 1.00 0.00 H new ATOM 1597 N HIS A 109 12.406 -11.486 -6.558 1.00 0.00 N ATOM 1598 CA HIS A 109 11.685 -12.499 -5.796 1.00 0.00 C ATOM 1599 C HIS A 109 11.787 -12.227 -4.298 1.00 0.00 C ATOM 1600 O HIS A 109 11.738 -13.150 -3.486 1.00 0.00 O ATOM 1601 CB HIS A 109 12.233 -13.891 -6.112 1.00 0.00 C ATOM 1602 CG HIS A 109 12.102 -14.273 -7.554 1.00 0.00 C ATOM 1603 ND1 HIS A 109 13.005 -14.795 -8.417 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.932 -14.128 -8.268 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.370 -14.956 -9.624 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.119 -14.547 -9.507 1.00 0.00 N flip ATOM 0 H HIS A 109 11.882 -11.094 -7.340 1.00 0.00 H new ATOM 0 HA HIS A 109 10.635 -12.456 -6.084 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.285 -13.932 -5.828 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.709 -14.626 -5.501 1.00 0.00 H new ATOM 0 HD1 HIS A 109 13.977 -15.026 -8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 109 10.006 -13.733 -7.876 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.820 -15.352 -10.522 1.00 0.00 H new ATOM 1615 N ALA A 110 11.930 -10.955 -3.941 1.00 0.00 N ATOM 1616 CA ALA A 110 12.038 -10.562 -2.542 1.00 0.00 C ATOM 1617 C ALA A 110 10.788 -9.818 -2.083 1.00 0.00 C ATOM 1618 O ALA A 110 10.619 -8.634 -2.372 1.00 0.00 O ATOM 1619 CB ALA A 110 13.275 -9.702 -2.329 1.00 0.00 C ATOM 0 H ALA A 110 11.974 -10.179 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 110 12.131 -11.467 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.343 -9.416 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.164 -10.267 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.206 -8.806 -2.946 1.00 0.00 H new ATOM 1625 N ALA A 111 9.917 -10.520 -1.367 1.00 0.00 N ATOM 1626 CA ALA A 111 8.683 -9.925 -0.867 1.00 0.00 C ATOM 1627 C ALA A 111 8.969 -8.657 -0.070 1.00 0.00 C ATOM 1628 O ALA A 111 10.072 -8.472 0.448 1.00 0.00 O ATOM 1629 CB ALA A 111 7.922 -10.928 -0.012 1.00 0.00 C ATOM 0 H ALA A 111 10.042 -11.502 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 111 8.066 -9.653 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.003 -10.470 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.677 -11.805 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.540 -11.228 0.834 1.00 0.00 H new ATOM 1635 N LEU A 112 7.971 -7.785 0.024 1.00 0.00 N ATOM 1636 CA LEU A 112 8.116 -6.533 0.758 1.00 0.00 C ATOM 1637 C LEU A 112 6.815 -6.160 1.460 1.00 0.00 C ATOM 1638 O LEU A 112 5.739 -6.207 0.862 1.00 0.00 O ATOM 1639 CB LEU A 112 8.537 -5.409 -0.190 1.00 0.00 C ATOM 1640 CG LEU A 112 9.745 -5.700 -1.082 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.689 -4.859 -2.348 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.040 -5.443 -0.326 1.00 0.00 C ATOM 0 H LEU A 112 7.053 -7.922 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 112 8.889 -6.671 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.689 -5.164 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.755 -4.522 0.405 1.00 0.00 H new ATOM 0 HG LEU A 112 9.717 -6.752 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.556 -5.080 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.778 -5.092 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.692 -3.802 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.889 -5.655 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.076 -4.400 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.084 -6.089 0.551 1.00 0.00 H new ATOM 1654 N CYS A 113 6.920 -5.787 2.731 1.00 0.00 N ATOM 1655 CA CYS A 113 5.751 -5.405 3.515 1.00 0.00 C ATOM 1656 C CYS A 113 5.427 -3.927 3.321 1.00 0.00 C ATOM 1657 O CYS A 113 6.275 -3.060 3.537 1.00 0.00 O ATOM 1658 CB CYS A 113 5.988 -5.697 4.998 1.00 0.00 C ATOM 1659 SG CYS A 113 5.533 -7.373 5.501 1.00 0.00 S ATOM 0 H CYS A 113 7.803 -5.741 3.240 1.00 0.00 H new ATOM 0 HA CYS A 113 4.902 -5.994 3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 113 7.041 -5.534 5.226 1.00 0.00 H new ATOM 0 HB3 CYS A 113 5.419 -4.983 5.594 1.00 0.00 H new ATOM 0 HG CYS A 113 5.771 -7.525 6.770 1.00 0.00 H new ATOM 1665 N LEU A 114 4.195 -3.646 2.912 1.00 0.00 N ATOM 1666 CA LEU A 114 3.758 -2.273 2.687 1.00 0.00 C ATOM 1667 C LEU A 114 2.482 -1.973 3.467 1.00 0.00 C ATOM 1668 O LEU A 114 1.484 -2.681 3.339 1.00 0.00 O ATOM 1669 CB LEU A 114 3.525 -2.029 1.195 1.00 0.00 C ATOM 1670 CG LEU A 114 4.510 -2.708 0.242 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.084 -2.501 -1.203 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.919 -2.179 0.466 1.00 0.00 C ATOM 0 H LEU A 114 3.481 -4.351 2.729 1.00 0.00 H new ATOM 0 HA LEU A 114 4.544 -1.606 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.519 -2.365 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.557 -0.955 1.014 1.00 0.00 H new ATOM 0 HG LEU A 114 4.508 -3.778 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.797 -2.991 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.093 -2.929 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.056 -1.434 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.607 -2.673 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.937 -1.104 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.224 -2.380 1.493 1.00 0.00 H new ATOM 1684 N GLU A 115 2.522 -0.917 4.274 1.00 0.00 N ATOM 1685 CA GLU A 115 1.368 -0.523 5.074 1.00 0.00 C ATOM 1686 C GLU A 115 0.617 0.630 4.413 1.00 0.00 C ATOM 1687 O GLU A 115 1.086 1.768 4.406 1.00 0.00 O ATOM 1688 CB GLU A 115 1.810 -0.118 6.482 1.00 0.00 C ATOM 1689 CG GLU A 115 0.662 -0.002 7.470 1.00 0.00 C ATOM 1690 CD GLU A 115 1.121 0.425 8.850 1.00 0.00 C ATOM 1691 OE1 GLU A 115 1.673 -0.424 9.581 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.929 1.608 9.200 1.00 0.00 O ATOM 0 H GLU A 115 3.340 -0.320 4.391 1.00 0.00 H new ATOM 0 HA GLU A 115 0.697 -1.379 5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.526 -0.851 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.331 0.838 6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.065 0.718 7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.151 -0.962 7.542 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.552 0.326 3.859 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.370 1.335 3.196 1.00 0.00 C ATOM 1701 C VAL A 116 -2.318 2.008 4.182 1.00 0.00 C ATOM 1702 O VAL A 116 -3.030 1.339 4.932 1.00 0.00 O ATOM 1703 CB VAL A 116 -2.192 0.724 2.046 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.653 1.810 1.085 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -1.380 -0.336 1.316 1.00 0.00 C ATOM 0 H VAL A 116 -0.954 -0.611 3.856 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.686 2.079 2.788 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.076 0.245 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.232 1.360 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.273 2.530 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.784 2.319 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.976 -0.757 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.477 0.116 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -1.104 -1.127 2.013 1.00 0.00 H new ATOM 1715 N THR A 117 -2.323 3.337 4.177 1.00 0.00 N ATOM 1716 CA THR A 117 -3.184 4.102 5.071 1.00 0.00 C ATOM 1717 C THR A 117 -3.894 5.225 4.323 1.00 0.00 C ATOM 1718 O THR A 117 -3.312 6.280 4.068 1.00 0.00 O ATOM 1719 CB THR A 117 -2.383 4.706 6.240 1.00 0.00 C ATOM 1720 OG1 THR A 117 -1.789 3.661 7.019 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.279 5.558 7.126 1.00 0.00 C ATOM 0 H THR A 117 -1.740 3.907 3.563 1.00 0.00 H new ATOM 0 HA THR A 117 -3.925 3.408 5.467 1.00 0.00 H new ATOM 0 HB THR A 117 -1.599 5.340 5.825 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.280 4.053 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.692 5.974 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.707 6.370 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.081 4.942 7.532 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.155 4.992 3.975 1.00 0.00 N ATOM 1730 CA LEU A 118 -5.946 5.985 3.257 1.00 0.00 C ATOM 1731 C LEU A 118 -6.234 7.195 4.140 1.00 0.00 C ATOM 1732 O LEU A 118 -6.962 7.096 5.128 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.259 5.367 2.774 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.841 5.948 1.485 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.420 7.332 1.736 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.777 6.003 0.397 1.00 0.00 C ATOM 0 H LEU A 118 -5.651 4.124 4.178 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.369 6.318 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.102 4.298 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.001 5.476 3.565 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.646 5.296 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.829 7.729 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.212 7.265 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.634 7.995 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.209 6.419 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -5.951 6.633 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.409 4.997 0.197 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.660 8.336 3.777 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.856 9.567 4.533 1.00 0.00 C ATOM 1750 C LYS A 119 -7.047 10.353 3.993 1.00 0.00 C ATOM 1751 O LYS A 119 -8.078 10.473 4.656 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.595 10.431 4.478 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.353 9.729 5.001 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.144 9.996 6.482 1.00 0.00 C ATOM 1755 CE LYS A 119 -3.787 8.916 7.339 1.00 0.00 C ATOM 1756 NZ LYS A 119 -3.844 9.309 8.774 1.00 0.00 N ATOM 0 H LYS A 119 -5.054 8.434 2.962 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.059 9.298 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.421 10.740 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.761 11.338 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.443 8.656 4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.480 10.067 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.077 10.045 6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.566 10.967 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.795 8.717 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.223 7.989 7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.289 8.547 9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.880 9.475 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.403 10.180 8.873 1.00 0.00 H new ATOM 1770 N THR A 120 -6.900 10.887 2.784 1.00 0.00 N ATOM 1771 CA THR A 120 -7.963 11.660 2.156 1.00 0.00 C ATOM 1772 C THR A 120 -7.943 11.491 0.641 1.00 0.00 C ATOM 1773 O THR A 120 -6.880 11.476 0.022 1.00 0.00 O ATOM 1774 CB THR A 120 -7.844 13.158 2.495 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.477 13.574 2.403 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.372 13.439 3.894 1.00 0.00 C ATOM 0 H THR A 120 -6.054 10.798 2.221 1.00 0.00 H new ATOM 0 HA THR A 120 -8.906 11.280 2.550 1.00 0.00 H new ATOM 0 HB THR A 120 -8.443 13.719 1.778 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.410 14.528 2.618 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.278 14.503 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.421 13.148 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.796 12.868 4.622 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.127 11.365 0.049 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.245 11.200 -1.395 1.00 0.00 C ATOM 1786 C ALA A 121 -9.913 12.413 -2.033 1.00 0.00 C ATOM 1787 O ALA A 121 -11.093 12.678 -1.802 1.00 0.00 O ATOM 1788 CB ALA A 121 -10.025 9.934 -1.719 1.00 0.00 C ATOM 0 H ALA A 121 -10.017 11.374 0.547 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.241 11.111 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -10.106 9.823 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.506 9.070 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -11.023 10.001 -1.286 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.151 13.149 -2.836 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.669 14.334 -3.508 1.00 0.00 C ATOM 1796 C VAL A 122 -9.261 14.356 -4.976 1.00 0.00 C ATOM 1797 O VAL A 122 -8.599 13.439 -5.461 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.175 15.626 -2.829 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.506 15.610 -1.345 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.680 15.803 -3.049 1.00 0.00 C ATOM 0 H VAL A 122 -8.172 12.945 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.756 14.288 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.689 16.474 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.149 16.530 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.585 15.533 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.021 14.755 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.347 16.720 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.147 14.953 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.474 15.863 -4.118 1.00 0.00 H new ATOM 1810 N ASP A 123 -9.660 15.410 -5.680 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.335 15.553 -7.094 1.00 0.00 C ATOM 1812 C ASP A 123 -8.215 16.570 -7.294 1.00 0.00 C ATOM 1813 O ASP A 123 -7.455 16.490 -8.259 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.573 15.978 -7.884 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.492 15.584 -9.346 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.676 14.386 -9.648 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -10.242 16.472 -10.187 1.00 0.00 O ATOM 0 H ASP A 123 -10.209 16.178 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 123 -8.994 14.586 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.458 15.525 -7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -10.695 17.058 -7.808 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.121 17.527 -6.376 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.096 18.561 -6.453 1.00 0.00 C ATOM 1824 C ARG A 124 -5.750 18.029 -5.969 1.00 0.00 C ATOM 1825 O ARG A 124 -5.664 17.283 -4.994 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.505 19.777 -5.621 1.00 0.00 C ATOM 1827 CG ARG A 124 -8.782 20.445 -6.105 1.00 0.00 C ATOM 1828 CD ARG A 124 -9.538 21.100 -4.960 1.00 0.00 C ATOM 1829 NE ARG A 124 -8.734 22.111 -4.280 1.00 0.00 N ATOM 1830 CZ ARG A 124 -9.200 22.894 -3.313 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -10.460 22.780 -2.914 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -8.407 23.791 -2.743 1.00 0.00 N ATOM 0 H ARG A 124 -8.742 17.608 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.995 18.861 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.637 19.469 -4.584 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -6.695 20.506 -5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.539 21.195 -6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -9.420 19.705 -6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.449 21.559 -5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.843 20.337 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.760 22.223 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -11.073 22.091 -3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.816 23.382 -2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.437 23.881 -3.047 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -8.767 24.391 -2.001 1.00 0.00 H new