USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 739 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 7 GLN : amide:sc= 0 K(o=-0.031,f=-0.56) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= -0.0309 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -2.32 K(o=-4.1,f=-2.7) USER MOD Set 2.2: A 72 SER OG : rot 102:sc= -1.75! USER MOD Single : A 9 LYS NZ :NH3+ -136:sc= -0.45 (180deg=-1.87) USER MOD Single : A 11 SER OG : rot -178:sc= -1.85! USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00178) USER MOD Single : A 17 HIS : no HD1:sc= -7.05! C(o=-7!,f=-8.4!) USER MOD Single : A 18 GLN : amide:sc= -8.97! C(o=-9!,f=-7.3!) USER MOD Single : A 37 THR OG1 : rot 31:sc= 0.0223 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.11) USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= -0.0272 (180deg=-0.418) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0945 X(o=-0.095,f=0) USER MOD Single : A 65 THR OG1 : rot -73:sc= -2.84! USER MOD Single : A 68 SER OG : rot -104:sc= -2.29! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.688 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -2.07! C(o=-2.1!,f=-6.9!) USER MOD Single : A 87 MET CE :methyl 153:sc= -8.57! (180deg=-10.2!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0185) USER MOD Single : A 95 THR OG1 : rot 108:sc= -1.34! USER MOD Single : A 96 TYR OH : rot 30:sc= -2.22! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 140:sc= -0.0125 USER MOD Single : A 109 THR OG1 : rot 90:sc= -0.57 USER MOD Single : A 111 SER OG : rot 171:sc= 0.265 USER MOD Single : A 114 HIS : no HE2:sc= -12.7! C(o=-13!,f=-18!) USER MOD Single : A 117 LYS NZ :NH3+ -102:sc= -0.611 (180deg=-2.32!) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.0588 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 17.316 6.146 2.206 1.00 0.00 N ATOM 93 CA GLN A 7 16.243 6.552 1.250 1.00 0.00 C ATOM 94 C GLN A 7 15.554 5.315 0.670 1.00 0.00 C ATOM 95 O GLN A 7 16.159 4.520 -0.021 1.00 0.00 O ATOM 96 CB GLN A 7 16.959 7.334 0.149 1.00 0.00 C ATOM 97 CG GLN A 7 16.021 8.407 -0.407 1.00 0.00 C ATOM 98 CD GLN A 7 16.679 9.092 -1.606 1.00 0.00 C ATOM 99 OE1 GLN A 7 17.251 8.438 -2.456 1.00 0.00 O ATOM 100 NE2 GLN A 7 16.622 10.391 -1.712 1.00 0.00 N ATOM 0 HA GLN A 7 15.469 7.149 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.863 7.796 0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 7 17.270 6.659 -0.648 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.074 7.957 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.794 9.142 0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 7 16.142 10.940 -0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.057 10.857 -2.508 1.00 0.00 H new ATOM 109 N VAL A 8 14.293 5.139 0.944 1.00 0.00 N ATOM 110 CA VAL A 8 13.591 3.941 0.402 1.00 0.00 C ATOM 111 C VAL A 8 12.511 4.344 -0.604 1.00 0.00 C ATOM 112 O VAL A 8 11.448 4.803 -0.236 1.00 0.00 O ATOM 113 CB VAL A 8 12.956 3.257 1.618 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.331 4.306 2.534 1.00 0.00 C ATOM 115 CG2 VAL A 8 11.863 2.294 1.152 1.00 0.00 C ATOM 0 H VAL A 8 13.722 5.764 1.513 1.00 0.00 H new ATOM 0 HA VAL A 8 14.279 3.283 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 8 13.728 2.709 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.881 3.814 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.101 4.999 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.564 4.855 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.413 1.808 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.098 2.848 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.298 1.538 0.498 1.00 0.00 H new ATOM 125 N LYS A 9 12.757 4.146 -1.871 1.00 0.00 N ATOM 126 CA LYS A 9 11.717 4.489 -2.877 1.00 0.00 C ATOM 127 C LYS A 9 10.664 3.382 -2.882 1.00 0.00 C ATOM 128 O LYS A 9 10.890 2.313 -2.350 1.00 0.00 O ATOM 129 CB LYS A 9 12.433 4.542 -4.226 1.00 0.00 C ATOM 130 CG LYS A 9 13.407 5.722 -4.245 1.00 0.00 C ATOM 131 CD LYS A 9 13.266 6.546 -5.539 1.00 0.00 C ATOM 132 CE LYS A 9 12.941 5.646 -6.736 1.00 0.00 C ATOM 133 NZ LYS A 9 14.017 4.614 -6.756 1.00 0.00 N ATOM 0 H LYS A 9 13.625 3.765 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 9 11.224 5.437 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.971 3.610 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.706 4.645 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.222 6.362 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.429 5.354 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.479 7.290 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.191 7.090 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.958 5.187 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.926 6.217 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.349 4.478 -7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.810 4.928 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.643 3.716 -6.389 1.00 0.00 H new ATOM 147 N ALA A 10 9.519 3.601 -3.468 1.00 0.00 N ATOM 148 CA ALA A 10 8.503 2.503 -3.464 1.00 0.00 C ATOM 149 C ALA A 10 7.161 2.932 -4.055 1.00 0.00 C ATOM 150 O ALA A 10 6.812 4.095 -4.085 1.00 0.00 O ATOM 151 CB ALA A 10 8.308 2.157 -1.988 1.00 0.00 C ATOM 0 H ALA A 10 9.245 4.464 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 10 8.849 1.668 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.574 1.356 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.257 1.831 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.953 3.037 -1.452 1.00 0.00 H new ATOM 157 N SER A 11 6.392 1.967 -4.481 1.00 0.00 N ATOM 158 CA SER A 11 5.038 2.248 -5.030 1.00 0.00 C ATOM 159 C SER A 11 4.023 1.647 -4.058 1.00 0.00 C ATOM 160 O SER A 11 4.411 1.023 -3.092 1.00 0.00 O ATOM 161 CB SER A 11 4.991 1.528 -6.379 1.00 0.00 C ATOM 162 OG SER A 11 6.104 0.650 -6.484 1.00 0.00 O ATOM 0 H SER A 11 6.651 0.980 -4.471 1.00 0.00 H new ATOM 0 HA SER A 11 4.821 3.309 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.061 0.967 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.008 2.254 -7.192 1.00 0.00 H new ATOM 0 HG SER A 11 6.092 0.210 -7.360 1.00 0.00 H new ATOM 168 N HIS A 12 2.739 1.799 -4.265 1.00 0.00 N ATOM 169 CA HIS A 12 1.815 1.173 -3.263 1.00 0.00 C ATOM 170 C HIS A 12 0.332 1.260 -3.650 1.00 0.00 C ATOM 171 O HIS A 12 -0.053 1.913 -4.599 1.00 0.00 O ATOM 172 CB HIS A 12 2.069 1.939 -1.961 1.00 0.00 C ATOM 173 CG HIS A 12 1.384 3.277 -2.012 1.00 0.00 C ATOM 174 ND1 HIS A 12 0.896 3.901 -0.874 1.00 0.00 N ATOM 175 CD2 HIS A 12 1.098 4.122 -3.055 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.347 5.068 -1.256 1.00 0.00 C ATOM 177 NE2 HIS A 12 0.443 5.252 -2.576 1.00 0.00 N ATOM 0 H HIS A 12 2.305 2.301 -5.040 1.00 0.00 H new ATOM 0 HA HIS A 12 2.017 0.105 -3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.699 1.364 -1.112 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.140 2.075 -1.812 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.344 3.938 -4.090 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.115 5.771 -0.578 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.108 6.050 -3.116 1.00 0.00 H new ATOM 185 N ILE A 13 -0.492 0.584 -2.884 1.00 0.00 N ATOM 186 CA ILE A 13 -1.967 0.574 -3.128 1.00 0.00 C ATOM 187 C ILE A 13 -2.696 0.464 -1.782 1.00 0.00 C ATOM 188 O ILE A 13 -2.076 0.271 -0.759 1.00 0.00 O ATOM 189 CB ILE A 13 -2.219 -0.686 -3.961 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.671 -0.483 -5.376 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.722 -0.962 -4.030 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.244 -1.552 -6.313 1.00 0.00 C ATOM 0 H ILE A 13 -0.195 0.027 -2.083 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.319 1.474 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.716 -1.534 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.934 0.511 -5.739 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.583 -0.541 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.900 -1.859 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.111 -1.110 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.227 -0.114 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.851 -1.403 -7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.958 -2.541 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.331 -1.473 -6.333 1.00 0.00 H new ATOM 204 N LEU A 14 -4.000 0.567 -1.769 1.00 0.00 N ATOM 205 CA LEU A 14 -4.742 0.442 -0.474 1.00 0.00 C ATOM 206 C LEU A 14 -6.054 -0.317 -0.690 1.00 0.00 C ATOM 207 O LEU A 14 -6.916 0.116 -1.426 1.00 0.00 O ATOM 208 CB LEU A 14 -5.027 1.876 -0.019 1.00 0.00 C ATOM 209 CG LEU A 14 -6.020 1.859 1.154 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.279 2.121 2.466 1.00 0.00 C ATOM 211 CD2 LEU A 14 -7.079 2.945 0.941 1.00 0.00 C ATOM 0 H LEU A 14 -4.581 0.731 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.167 -0.109 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.100 2.363 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.436 2.456 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.501 0.882 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.988 2.108 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.527 1.347 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.793 3.095 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.784 2.934 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.595 3.920 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.613 2.755 0.010 1.00 0.00 H new ATOM 223 N ILE A 15 -6.216 -1.442 -0.046 1.00 0.00 N ATOM 224 CA ILE A 15 -7.479 -2.218 -0.213 1.00 0.00 C ATOM 225 C ILE A 15 -8.495 -1.813 0.858 1.00 0.00 C ATOM 226 O ILE A 15 -8.143 -1.525 1.985 1.00 0.00 O ATOM 227 CB ILE A 15 -7.073 -3.683 -0.050 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.242 -4.110 -1.263 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.328 -4.554 0.042 1.00 0.00 C ATOM 230 CD1 ILE A 15 -6.120 -5.635 -1.297 1.00 0.00 C ATOM 0 H ILE A 15 -5.531 -1.856 0.586 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.951 -2.036 -1.179 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.484 -3.802 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.710 -3.753 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.251 -3.658 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.038 -5.598 0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.923 -4.245 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.917 -4.440 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.528 -5.933 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.632 -5.981 -0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.113 -6.078 -1.367 1.00 0.00 H new ATOM 242 N LYS A 16 -9.754 -1.784 0.514 1.00 0.00 N ATOM 243 CA LYS A 16 -10.791 -1.394 1.511 1.00 0.00 C ATOM 244 C LYS A 16 -11.037 -2.544 2.490 1.00 0.00 C ATOM 245 O LYS A 16 -10.873 -3.701 2.158 1.00 0.00 O ATOM 246 CB LYS A 16 -12.049 -1.106 0.687 1.00 0.00 C ATOM 247 CG LYS A 16 -12.541 -2.395 0.025 1.00 0.00 C ATOM 248 CD LYS A 16 -13.468 -2.046 -1.143 1.00 0.00 C ATOM 249 CE LYS A 16 -14.120 -3.321 -1.683 1.00 0.00 C ATOM 250 NZ LYS A 16 -13.107 -3.910 -2.603 1.00 0.00 N ATOM 0 H LYS A 16 -10.109 -2.014 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.491 -0.530 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.829 -0.695 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.833 -0.355 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.693 -2.980 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.070 -3.011 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.235 -1.345 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.903 -1.552 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.368 -4.010 -0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.048 -3.098 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.494 -4.771 -3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.870 -3.221 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.249 -4.150 -2.067 1.00 0.00 H new ATOM 264 N HIS A 17 -11.430 -2.237 3.695 1.00 0.00 N ATOM 265 CA HIS A 17 -11.684 -3.317 4.691 1.00 0.00 C ATOM 266 C HIS A 17 -12.380 -2.749 5.930 1.00 0.00 C ATOM 267 O HIS A 17 -12.756 -1.594 5.967 1.00 0.00 O ATOM 268 CB HIS A 17 -10.300 -3.867 5.051 1.00 0.00 C ATOM 269 CG HIS A 17 -9.508 -2.836 5.815 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.929 -1.521 5.961 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.307 -2.919 6.474 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.994 -0.875 6.681 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.984 -1.680 7.020 1.00 0.00 N ATOM 0 H HIS A 17 -11.586 -1.287 4.033 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.337 -4.094 4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.405 -4.771 5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.765 -4.147 4.143 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.704 -3.811 6.556 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -9.053 0.169 6.952 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.154 -1.439 7.562 1.00 0.00 H new ATOM 281 N GLN A 18 -12.553 -3.550 6.943 1.00 0.00 N ATOM 282 CA GLN A 18 -13.223 -3.053 8.177 1.00 0.00 C ATOM 283 C GLN A 18 -12.514 -1.790 8.681 1.00 0.00 C ATOM 284 O GLN A 18 -13.146 -0.805 9.007 1.00 0.00 O ATOM 285 CB GLN A 18 -13.114 -4.219 9.176 1.00 0.00 C ATOM 286 CG GLN A 18 -12.958 -3.698 10.613 1.00 0.00 C ATOM 287 CD GLN A 18 -11.481 -3.418 10.950 1.00 0.00 C ATOM 288 OE1 GLN A 18 -11.198 -2.749 11.924 1.00 0.00 O ATOM 289 NE2 GLN A 18 -10.520 -3.900 10.203 1.00 0.00 N ATOM 0 H GLN A 18 -12.260 -4.527 6.970 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.264 -2.770 8.019 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.003 -4.846 9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.260 -4.846 8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.541 -2.785 10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.360 -4.430 11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.745 -4.463 9.383 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.546 -3.713 10.441 1.00 0.00 H new ATOM 298 N GLY A 19 -11.210 -1.814 8.730 1.00 0.00 N ATOM 299 CA GLY A 19 -10.443 -0.620 9.199 1.00 0.00 C ATOM 300 C GLY A 19 -11.189 0.066 10.347 1.00 0.00 C ATOM 301 O GLY A 19 -11.658 -0.573 11.265 1.00 0.00 O ATOM 0 H GLY A 19 -10.637 -2.615 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.450 -0.923 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.305 0.080 8.375 1.00 0.00 H new ATOM 594 N THR A 37 -15.079 -7.141 3.109 1.00 0.00 N ATOM 595 CA THR A 37 -13.708 -7.490 3.582 1.00 0.00 C ATOM 596 C THR A 37 -13.518 -6.990 5.017 1.00 0.00 C ATOM 597 O THR A 37 -14.106 -6.007 5.421 1.00 0.00 O ATOM 598 CB THR A 37 -12.762 -6.761 2.624 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.802 -7.391 1.351 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.334 -6.809 3.173 1.00 0.00 C ATOM 0 HA THR A 37 -13.524 -8.564 3.588 1.00 0.00 H new ATOM 0 HB THR A 37 -13.076 -5.722 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.692 -7.775 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.663 -6.289 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.303 -6.325 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.017 -7.847 3.273 1.00 0.00 H new ATOM 608 N THR A 38 -12.706 -7.654 5.794 1.00 0.00 N ATOM 609 CA THR A 38 -12.495 -7.203 7.200 1.00 0.00 C ATOM 610 C THR A 38 -11.010 -7.254 7.565 1.00 0.00 C ATOM 611 O THR A 38 -10.157 -7.442 6.720 1.00 0.00 O ATOM 612 CB THR A 38 -13.286 -8.187 8.060 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.936 -9.515 7.700 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.784 -7.971 7.842 1.00 0.00 C ATOM 0 H THR A 38 -12.182 -8.485 5.519 1.00 0.00 H new ATOM 0 HA THR A 38 -12.822 -6.174 7.348 1.00 0.00 H new ATOM 0 HB THR A 38 -13.050 -8.023 9.111 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.441 -10.148 8.252 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.346 -8.674 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.049 -6.952 8.122 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.026 -8.133 6.792 1.00 0.00 H new ATOM 622 N ARG A 39 -10.699 -7.089 8.821 1.00 0.00 N ATOM 623 CA ARG A 39 -9.271 -7.129 9.248 1.00 0.00 C ATOM 624 C ARG A 39 -8.596 -8.384 8.697 1.00 0.00 C ATOM 625 O ARG A 39 -7.660 -8.310 7.926 1.00 0.00 O ATOM 626 CB ARG A 39 -9.322 -7.161 10.778 1.00 0.00 C ATOM 627 CG ARG A 39 -7.952 -7.549 11.342 1.00 0.00 C ATOM 628 CD ARG A 39 -8.118 -8.017 12.790 1.00 0.00 C ATOM 629 NE ARG A 39 -6.733 -8.267 13.276 1.00 0.00 N ATOM 630 CZ ARG A 39 -6.540 -8.883 14.412 1.00 0.00 C ATOM 631 NH1 ARG A 39 -7.217 -8.531 15.470 1.00 0.00 N ATOM 632 NH2 ARG A 39 -5.668 -9.851 14.488 1.00 0.00 N ATOM 0 H ARG A 39 -11.372 -6.928 9.571 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.698 -6.278 8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.618 -6.184 11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.076 -7.875 11.110 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.509 -8.342 10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.273 -6.698 11.298 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.618 -7.260 13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.725 -8.921 12.845 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.935 -7.957 12.722 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.898 -7.774 15.411 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.065 -9.013 16.356 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.138 -10.126 13.661 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.517 -10.333 15.374 1.00 0.00 H new ATOM 646 N GLU A 40 -9.067 -9.534 9.082 1.00 0.00 N ATOM 647 CA GLU A 40 -8.455 -10.795 8.576 1.00 0.00 C ATOM 648 C GLU A 40 -8.638 -10.887 7.061 1.00 0.00 C ATOM 649 O GLU A 40 -7.683 -10.910 6.310 1.00 0.00 O ATOM 650 CB GLU A 40 -9.219 -11.918 9.275 1.00 0.00 C ATOM 651 CG GLU A 40 -8.545 -13.258 8.969 1.00 0.00 C ATOM 652 CD GLU A 40 -9.110 -14.339 9.891 1.00 0.00 C ATOM 653 OE1 GLU A 40 -10.286 -14.638 9.768 1.00 0.00 O ATOM 654 OE2 GLU A 40 -8.356 -14.851 10.701 1.00 0.00 O ATOM 0 H GLU A 40 -9.849 -9.658 9.725 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.385 -10.848 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.238 -11.745 10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.255 -11.934 8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.712 -13.531 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.467 -13.174 9.108 1.00 0.00 H new ATOM 661 N ALA A 41 -9.860 -10.934 6.607 1.00 0.00 N ATOM 662 CA ALA A 41 -10.105 -11.016 5.140 1.00 0.00 C ATOM 663 C ALA A 41 -9.188 -10.036 4.410 1.00 0.00 C ATOM 664 O ALA A 41 -8.543 -10.375 3.438 1.00 0.00 O ATOM 665 CB ALA A 41 -11.571 -10.619 4.960 1.00 0.00 C ATOM 0 H ALA A 41 -10.698 -10.919 7.188 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.904 -12.008 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.830 -10.655 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.206 -11.311 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.723 -9.608 5.337 1.00 0.00 H new ATOM 671 N ALA A 42 -9.122 -8.824 4.882 1.00 0.00 N ATOM 672 CA ALA A 42 -8.241 -7.815 4.227 1.00 0.00 C ATOM 673 C ALA A 42 -6.851 -8.410 4.007 1.00 0.00 C ATOM 674 O ALA A 42 -6.352 -8.459 2.901 1.00 0.00 O ATOM 675 CB ALA A 42 -8.180 -6.646 5.211 1.00 0.00 C ATOM 0 H ALA A 42 -9.640 -8.487 5.693 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.614 -7.502 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.548 -5.858 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.185 -6.256 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.764 -6.989 6.158 1.00 0.00 H new ATOM 681 N VAL A 43 -6.230 -8.876 5.052 1.00 0.00 N ATOM 682 CA VAL A 43 -4.878 -9.484 4.899 1.00 0.00 C ATOM 683 C VAL A 43 -4.949 -10.604 3.864 1.00 0.00 C ATOM 684 O VAL A 43 -4.081 -10.749 3.026 1.00 0.00 O ATOM 685 CB VAL A 43 -4.524 -10.037 6.282 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.143 -10.694 6.234 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.507 -8.892 7.299 1.00 0.00 C ATOM 0 H VAL A 43 -6.597 -8.863 6.003 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.128 -8.771 4.558 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.268 -10.777 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.893 -11.087 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.153 -11.509 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.398 -9.955 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.255 -9.284 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.763 -8.152 7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.490 -8.423 7.336 1.00 0.00 H new ATOM 697 N GLU A 44 -5.993 -11.384 3.901 1.00 0.00 N ATOM 698 CA GLU A 44 -6.137 -12.478 2.903 1.00 0.00 C ATOM 699 C GLU A 44 -6.262 -11.865 1.510 1.00 0.00 C ATOM 700 O GLU A 44 -5.569 -12.241 0.586 1.00 0.00 O ATOM 701 CB GLU A 44 -7.423 -13.208 3.291 1.00 0.00 C ATOM 702 CG GLU A 44 -7.078 -14.577 3.881 1.00 0.00 C ATOM 703 CD GLU A 44 -8.055 -14.907 5.010 1.00 0.00 C ATOM 704 OE1 GLU A 44 -7.909 -14.337 6.078 1.00 0.00 O ATOM 705 OE2 GLU A 44 -8.934 -15.724 4.787 1.00 0.00 O ATOM 0 H GLU A 44 -6.752 -11.311 4.579 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.285 -13.158 2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.983 -12.618 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.063 -13.328 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.129 -15.342 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.056 -14.575 4.259 1.00 0.00 H new ATOM 712 N GLN A 45 -7.129 -10.902 1.364 1.00 0.00 N ATOM 713 CA GLN A 45 -7.289 -10.238 0.042 1.00 0.00 C ATOM 714 C GLN A 45 -5.925 -9.742 -0.433 1.00 0.00 C ATOM 715 O GLN A 45 -5.649 -9.672 -1.615 1.00 0.00 O ATOM 716 CB GLN A 45 -8.234 -9.062 0.297 1.00 0.00 C ATOM 717 CG GLN A 45 -9.555 -9.298 -0.437 1.00 0.00 C ATOM 718 CD GLN A 45 -10.228 -10.553 0.119 1.00 0.00 C ATOM 719 OE1 GLN A 45 -10.680 -11.397 -0.629 1.00 0.00 O ATOM 720 NE2 GLN A 45 -10.314 -10.713 1.412 1.00 0.00 N ATOM 0 H GLN A 45 -7.734 -10.546 2.104 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.684 -10.905 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.415 -8.953 1.366 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.777 -8.134 -0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.211 -8.436 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.374 -9.412 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.934 -10.004 2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.761 -11.547 1.794 1.00 0.00 H new ATOM 729 N LEU A 46 -5.064 -9.408 0.489 1.00 0.00 N ATOM 730 CA LEU A 46 -3.707 -8.928 0.111 1.00 0.00 C ATOM 731 C LEU A 46 -2.784 -10.127 -0.112 1.00 0.00 C ATOM 732 O LEU A 46 -2.116 -10.233 -1.120 1.00 0.00 O ATOM 733 CB LEU A 46 -3.235 -8.093 1.303 1.00 0.00 C ATOM 734 CG LEU A 46 -3.161 -6.619 0.899 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.302 -5.849 1.567 1.00 0.00 C ATOM 736 CD2 LEU A 46 -1.822 -6.034 1.353 1.00 0.00 C ATOM 0 H LEU A 46 -5.244 -9.448 1.492 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.707 -8.346 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.921 -8.217 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.257 -8.439 1.638 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.249 -6.535 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.250 -4.799 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.258 -6.265 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.213 -5.933 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.768 -4.984 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.736 -6.119 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.007 -6.582 0.881 1.00 0.00 H new ATOM 748 N LYS A 47 -2.754 -11.038 0.821 1.00 0.00 N ATOM 749 CA LYS A 47 -1.884 -12.240 0.663 1.00 0.00 C ATOM 750 C LYS A 47 -2.030 -12.801 -0.754 1.00 0.00 C ATOM 751 O LYS A 47 -1.074 -13.235 -1.366 1.00 0.00 O ATOM 752 CB LYS A 47 -2.397 -13.245 1.698 1.00 0.00 C ATOM 753 CG LYS A 47 -1.241 -13.684 2.602 1.00 0.00 C ATOM 754 CD LYS A 47 -1.576 -13.364 4.062 1.00 0.00 C ATOM 755 CE LYS A 47 -2.816 -14.152 4.489 1.00 0.00 C ATOM 756 NZ LYS A 47 -2.342 -15.555 4.656 1.00 0.00 N ATOM 0 H LYS A 47 -3.294 -11.003 1.686 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.828 -12.014 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.189 -12.795 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.829 -14.111 1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.062 -14.753 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.324 -13.173 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.732 -13.619 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.754 -12.295 4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.231 -13.762 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.603 -14.088 3.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.865 -16.178 4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.326 -15.606 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.504 -15.862 5.636 1.00 0.00 H new ATOM 770 N SER A 48 -3.223 -12.786 -1.280 1.00 0.00 N ATOM 771 CA SER A 48 -3.443 -13.307 -2.660 1.00 0.00 C ATOM 772 C SER A 48 -3.076 -12.232 -3.685 1.00 0.00 C ATOM 773 O SER A 48 -2.653 -12.529 -4.785 1.00 0.00 O ATOM 774 CB SER A 48 -4.935 -13.629 -2.727 1.00 0.00 C ATOM 775 OG SER A 48 -5.194 -14.813 -1.985 1.00 0.00 O ATOM 0 H SER A 48 -4.059 -12.434 -0.813 1.00 0.00 H new ATOM 0 HA SER A 48 -2.831 -14.181 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.516 -12.799 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.244 -13.761 -3.764 1.00 0.00 H new ATOM 0 HG SER A 48 -6.151 -15.021 -2.025 1.00 0.00 H new ATOM 781 N ILE A 49 -3.226 -10.984 -3.330 1.00 0.00 N ATOM 782 CA ILE A 49 -2.874 -9.896 -4.287 1.00 0.00 C ATOM 783 C ILE A 49 -1.362 -9.909 -4.533 1.00 0.00 C ATOM 784 O ILE A 49 -0.906 -9.867 -5.658 1.00 0.00 O ATOM 785 CB ILE A 49 -3.354 -8.596 -3.617 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.997 -7.697 -4.675 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.188 -7.847 -2.959 1.00 0.00 C ATOM 788 CD1 ILE A 49 -3.051 -7.555 -5.870 1.00 0.00 C ATOM 0 H ILE A 49 -3.575 -10.672 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.342 -10.010 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.077 -8.853 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.947 -8.121 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.214 -6.717 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.558 -6.933 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.731 -8.481 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.445 -7.594 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.510 -6.914 -6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.112 -7.111 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.857 -8.538 -6.299 1.00 0.00 H new ATOM 800 N ARG A 50 -0.584 -9.999 -3.490 1.00 0.00 N ATOM 801 CA ARG A 50 0.893 -10.052 -3.676 1.00 0.00 C ATOM 802 C ARG A 50 1.237 -11.369 -4.367 1.00 0.00 C ATOM 803 O ARG A 50 2.198 -11.475 -5.103 1.00 0.00 O ATOM 804 CB ARG A 50 1.490 -10.000 -2.268 1.00 0.00 C ATOM 805 CG ARG A 50 1.231 -11.325 -1.547 1.00 0.00 C ATOM 806 CD ARG A 50 2.376 -12.299 -1.839 1.00 0.00 C ATOM 807 NE ARG A 50 2.557 -13.071 -0.579 1.00 0.00 N ATOM 808 CZ ARG A 50 3.756 -13.394 -0.178 1.00 0.00 C ATOM 809 NH1 ARG A 50 4.753 -13.369 -1.018 1.00 0.00 N ATOM 810 NH2 ARG A 50 3.957 -13.741 1.064 1.00 0.00 N ATOM 0 H ARG A 50 -0.905 -10.038 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 50 1.280 -9.236 -4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.562 -9.809 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.049 -9.177 -1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.148 -11.157 -0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.284 -11.752 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.131 -12.957 -2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.288 -11.766 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 50 1.744 -13.347 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.596 -13.097 -1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.690 -13.621 -0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.177 -13.760 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.894 -13.994 1.378 1.00 0.00 H new ATOM 824 N GLU A 51 0.427 -12.369 -4.146 1.00 0.00 N ATOM 825 CA GLU A 51 0.652 -13.687 -4.796 1.00 0.00 C ATOM 826 C GLU A 51 0.268 -13.572 -6.264 1.00 0.00 C ATOM 827 O GLU A 51 1.035 -13.868 -7.158 1.00 0.00 O ATOM 828 CB GLU A 51 -0.301 -14.630 -4.064 1.00 0.00 C ATOM 829 CG GLU A 51 -0.544 -15.896 -4.890 1.00 0.00 C ATOM 830 CD GLU A 51 0.765 -16.370 -5.528 1.00 0.00 C ATOM 831 OE1 GLU A 51 1.708 -16.605 -4.791 1.00 0.00 O ATOM 832 OE2 GLU A 51 0.800 -16.491 -6.741 1.00 0.00 O ATOM 0 H GLU A 51 -0.389 -12.326 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 51 1.684 -14.033 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.117 -14.897 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.248 -14.125 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.952 -16.681 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.284 -15.697 -5.665 1.00 0.00 H new ATOM 839 N ASP A 52 -0.918 -13.116 -6.511 1.00 0.00 N ATOM 840 CA ASP A 52 -1.362 -12.940 -7.921 1.00 0.00 C ATOM 841 C ASP A 52 -0.336 -12.074 -8.646 1.00 0.00 C ATOM 842 O ASP A 52 0.146 -12.416 -9.707 1.00 0.00 O ATOM 843 CB ASP A 52 -2.710 -12.221 -7.837 1.00 0.00 C ATOM 844 CG ASP A 52 -3.809 -13.115 -8.413 1.00 0.00 C ATOM 845 OD1 ASP A 52 -3.494 -14.217 -8.829 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.949 -12.681 -8.430 1.00 0.00 O ATOM 0 H ASP A 52 -1.603 -12.856 -5.802 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.454 -13.882 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.936 -11.973 -6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.667 -11.281 -8.388 1.00 0.00 H new ATOM 851 N ILE A 53 0.021 -10.960 -8.065 1.00 0.00 N ATOM 852 CA ILE A 53 1.038 -10.084 -8.704 1.00 0.00 C ATOM 853 C ILE A 53 2.382 -10.815 -8.723 1.00 0.00 C ATOM 854 O ILE A 53 3.272 -10.492 -9.485 1.00 0.00 O ATOM 855 CB ILE A 53 1.111 -8.838 -7.820 1.00 0.00 C ATOM 856 CG1 ILE A 53 -0.186 -8.039 -7.957 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.290 -7.968 -8.261 1.00 0.00 C ATOM 858 CD1 ILE A 53 -0.073 -6.741 -7.155 1.00 0.00 C ATOM 0 H ILE A 53 -0.349 -10.621 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 53 0.788 -9.823 -9.732 1.00 0.00 H new ATOM 0 HB ILE A 53 1.247 -9.138 -6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.379 -7.815 -9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.029 -8.629 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.342 -7.080 -7.631 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.216 -8.535 -8.166 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.153 -7.668 -9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.997 -6.171 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.099 -6.976 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.760 -6.149 -7.536 1.00 0.00 H new ATOM 870 N VAL A 54 2.526 -11.811 -7.887 1.00 0.00 N ATOM 871 CA VAL A 54 3.799 -12.585 -7.847 1.00 0.00 C ATOM 872 C VAL A 54 3.890 -13.479 -9.091 1.00 0.00 C ATOM 873 O VAL A 54 4.902 -13.529 -9.761 1.00 0.00 O ATOM 874 CB VAL A 54 3.709 -13.407 -6.543 1.00 0.00 C ATOM 875 CG1 VAL A 54 4.022 -14.888 -6.794 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.708 -12.853 -5.528 1.00 0.00 C ATOM 0 H VAL A 54 1.812 -12.121 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 54 4.693 -11.961 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 54 2.691 -13.329 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.950 -15.439 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.307 -15.295 -7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.031 -14.984 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.648 -13.431 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.717 -12.923 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.473 -11.809 -5.319 1.00 0.00 H new ATOM 886 N SER A 55 2.834 -14.176 -9.401 1.00 0.00 N ATOM 887 CA SER A 55 2.844 -15.062 -10.602 1.00 0.00 C ATOM 888 C SER A 55 2.329 -14.291 -11.818 1.00 0.00 C ATOM 889 O SER A 55 2.413 -14.746 -12.942 1.00 0.00 O ATOM 890 CB SER A 55 1.890 -16.202 -10.255 1.00 0.00 C ATOM 891 OG SER A 55 2.605 -17.433 -10.237 1.00 0.00 O ATOM 0 H SER A 55 1.961 -14.172 -8.874 1.00 0.00 H new ATOM 0 HA SER A 55 3.843 -15.424 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.430 -16.022 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.082 -16.249 -10.986 1.00 0.00 H new ATOM 0 HG SER A 55 1.992 -18.164 -10.012 1.00 0.00 H new ATOM 897 N GLY A 56 1.799 -13.125 -11.592 1.00 0.00 N ATOM 898 CA GLY A 56 1.274 -12.301 -12.713 1.00 0.00 C ATOM 899 C GLY A 56 1.459 -10.827 -12.362 1.00 0.00 C ATOM 900 O GLY A 56 0.617 -10.219 -11.736 1.00 0.00 O ATOM 0 H GLY A 56 1.706 -12.702 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.801 -12.539 -13.637 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.220 -12.520 -12.882 1.00 0.00 H new ATOM 904 N LYS A 57 2.563 -10.257 -12.754 1.00 0.00 N ATOM 905 CA LYS A 57 2.832 -8.822 -12.448 1.00 0.00 C ATOM 906 C LYS A 57 1.817 -7.930 -13.163 1.00 0.00 C ATOM 907 O LYS A 57 2.166 -7.081 -13.961 1.00 0.00 O ATOM 908 CB LYS A 57 4.245 -8.561 -12.971 1.00 0.00 C ATOM 909 CG LYS A 57 4.690 -7.153 -12.570 1.00 0.00 C ATOM 910 CD LYS A 57 5.853 -7.247 -11.579 1.00 0.00 C ATOM 911 CE LYS A 57 6.020 -5.909 -10.855 1.00 0.00 C ATOM 912 NZ LYS A 57 7.249 -5.305 -11.440 1.00 0.00 N ATOM 0 H LYS A 57 3.300 -10.728 -13.279 1.00 0.00 H new ATOM 0 HA LYS A 57 2.748 -8.604 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.936 -9.301 -12.566 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.267 -8.665 -14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.995 -6.592 -13.453 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.858 -6.612 -12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.665 -8.042 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.772 -7.505 -12.105 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.153 -5.266 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.124 -6.052 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.429 -4.383 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.059 -5.935 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.118 -5.174 -12.463 1.00 0.00 H new ATOM 926 N ALA A 58 0.563 -8.121 -12.877 1.00 0.00 N ATOM 927 CA ALA A 58 -0.496 -7.303 -13.517 1.00 0.00 C ATOM 928 C ALA A 58 -0.057 -5.838 -13.605 1.00 0.00 C ATOM 929 O ALA A 58 0.870 -5.416 -12.944 1.00 0.00 O ATOM 930 CB ALA A 58 -1.693 -7.459 -12.584 1.00 0.00 C ATOM 0 H ALA A 58 0.223 -8.820 -12.217 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.719 -7.616 -14.537 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.535 -6.887 -12.973 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.969 -8.511 -12.519 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.432 -7.091 -11.592 1.00 0.00 H new ATOM 936 N ASN A 59 -0.714 -5.064 -14.424 1.00 0.00 N ATOM 937 CA ASN A 59 -0.336 -3.629 -14.566 1.00 0.00 C ATOM 938 C ASN A 59 -0.152 -2.978 -13.192 1.00 0.00 C ATOM 939 O ASN A 59 0.723 -2.159 -13.001 1.00 0.00 O ATOM 940 CB ASN A 59 -1.507 -2.985 -15.308 1.00 0.00 C ATOM 941 CG ASN A 59 -1.005 -2.361 -16.611 1.00 0.00 C ATOM 942 OD1 ASN A 59 -0.886 -3.035 -17.615 1.00 0.00 O ATOM 943 ND2 ASN A 59 -0.704 -1.091 -16.639 1.00 0.00 N ATOM 0 H ASN A 59 -1.499 -5.364 -15.003 1.00 0.00 H new ATOM 0 HA ASN A 59 0.608 -3.507 -15.098 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.271 -3.732 -15.521 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.972 -2.223 -14.683 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.369 -0.665 -17.503 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.804 -0.525 -15.797 1.00 0.00 H new ATOM 950 N PHE A 60 -0.983 -3.325 -12.242 1.00 0.00 N ATOM 951 CA PHE A 60 -0.875 -2.725 -10.876 1.00 0.00 C ATOM 952 C PHE A 60 -1.153 -1.211 -10.925 1.00 0.00 C ATOM 953 O PHE A 60 -1.080 -0.525 -9.925 1.00 0.00 O ATOM 954 CB PHE A 60 0.565 -3.014 -10.431 1.00 0.00 C ATOM 955 CG PHE A 60 0.766 -2.580 -8.996 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.039 -1.238 -8.704 1.00 0.00 C ATOM 957 CD2 PHE A 60 0.685 -3.519 -7.957 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.230 -0.833 -7.378 1.00 0.00 C ATOM 959 CE2 PHE A 60 0.877 -3.112 -6.631 1.00 0.00 C ATOM 960 CZ PHE A 60 1.148 -1.770 -6.341 1.00 0.00 C ATOM 0 H PHE A 60 -1.737 -4.003 -12.354 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.603 -3.143 -10.181 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.777 -4.079 -10.530 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.266 -2.488 -11.079 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.102 -0.514 -9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.475 -4.555 -8.180 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.441 0.202 -7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.816 -3.835 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.294 -1.457 -5.318 1.00 0.00 H new ATOM 970 N GLU A 61 -1.488 -0.685 -12.076 1.00 0.00 N ATOM 971 CA GLU A 61 -1.775 0.773 -12.173 1.00 0.00 C ATOM 972 C GLU A 61 -3.270 1.025 -11.973 1.00 0.00 C ATOM 973 O GLU A 61 -3.702 1.442 -10.917 1.00 0.00 O ATOM 974 CB GLU A 61 -1.347 1.161 -13.587 1.00 0.00 C ATOM 975 CG GLU A 61 0.176 1.073 -13.703 1.00 0.00 C ATOM 976 CD GLU A 61 0.705 2.295 -14.456 1.00 0.00 C ATOM 977 OE1 GLU A 61 0.429 3.401 -14.020 1.00 0.00 O ATOM 978 OE2 GLU A 61 1.376 2.105 -15.457 1.00 0.00 O ATOM 0 H GLU A 61 -1.574 -1.204 -12.950 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.251 1.355 -11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.816 0.499 -14.315 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.682 2.173 -13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.624 1.023 -12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.459 0.160 -14.227 1.00 0.00 H new ATOM 985 N GLU A 62 -4.065 0.768 -12.979 1.00 0.00 N ATOM 986 CA GLU A 62 -5.534 0.983 -12.839 1.00 0.00 C ATOM 987 C GLU A 62 -5.996 0.462 -11.480 1.00 0.00 C ATOM 988 O GLU A 62 -6.941 0.959 -10.899 1.00 0.00 O ATOM 989 CB GLU A 62 -6.164 0.171 -13.971 1.00 0.00 C ATOM 990 CG GLU A 62 -7.052 1.080 -14.822 1.00 0.00 C ATOM 991 CD GLU A 62 -7.496 0.328 -16.077 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.648 0.052 -16.909 1.00 0.00 O ATOM 993 OE2 GLU A 62 -8.677 0.038 -16.184 1.00 0.00 O ATOM 0 H GLU A 62 -3.761 0.420 -13.888 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.814 2.035 -12.897 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.385 -0.275 -14.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.753 -0.649 -13.560 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.923 1.397 -14.248 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.507 1.982 -15.099 1.00 0.00 H new ATOM 1000 N VAL A 63 -5.324 -0.529 -10.964 1.00 0.00 N ATOM 1001 CA VAL A 63 -5.708 -1.074 -9.636 1.00 0.00 C ATOM 1002 C VAL A 63 -5.353 -0.058 -8.553 1.00 0.00 C ATOM 1003 O VAL A 63 -6.192 0.374 -7.788 1.00 0.00 O ATOM 1004 CB VAL A 63 -4.879 -2.350 -9.474 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.976 -2.847 -8.031 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -5.413 -3.428 -10.419 1.00 0.00 C ATOM 0 H VAL A 63 -4.525 -0.984 -11.406 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.775 -1.279 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.837 -2.136 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.385 -3.756 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.595 -2.081 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.017 -3.059 -7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.823 -4.337 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.455 -3.639 -10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.342 -3.077 -11.448 1.00 0.00 H new ATOM 1016 N ALA A 64 -4.113 0.335 -8.495 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.690 1.335 -7.473 1.00 0.00 C ATOM 1018 C ALA A 64 -4.504 2.622 -7.623 1.00 0.00 C ATOM 1019 O ALA A 64 -4.653 3.381 -6.690 1.00 0.00 O ATOM 1020 CB ALA A 64 -2.216 1.597 -7.772 1.00 0.00 C ATOM 0 H ALA A 64 -3.370 0.007 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.846 0.979 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.825 2.326 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.656 0.666 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.114 1.986 -8.785 1.00 0.00 H new ATOM 1026 N THR A 65 -5.032 2.876 -8.786 1.00 0.00 N ATOM 1027 CA THR A 65 -5.834 4.119 -8.978 1.00 0.00 C ATOM 1028 C THR A 65 -7.242 3.936 -8.400 1.00 0.00 C ATOM 1029 O THR A 65 -7.876 4.881 -7.977 1.00 0.00 O ATOM 1030 CB THR A 65 -5.903 4.325 -10.493 1.00 0.00 C ATOM 1031 OG1 THR A 65 -5.441 3.155 -11.154 1.00 0.00 O ATOM 1032 CG2 THR A 65 -5.030 5.517 -10.887 1.00 0.00 C ATOM 0 H THR A 65 -4.945 2.281 -9.610 1.00 0.00 H new ATOM 0 HA THR A 65 -5.388 4.975 -8.471 1.00 0.00 H new ATOM 0 HB THR A 65 -6.935 4.521 -10.786 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.468 3.089 -11.059 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.079 5.663 -11.966 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.389 6.414 -10.382 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.998 5.325 -10.594 1.00 0.00 H new ATOM 1040 N ARG A 66 -7.736 2.729 -8.385 1.00 0.00 N ATOM 1041 CA ARG A 66 -9.105 2.488 -7.842 1.00 0.00 C ATOM 1042 C ARG A 66 -9.040 2.039 -6.377 1.00 0.00 C ATOM 1043 O ARG A 66 -9.727 2.563 -5.522 1.00 0.00 O ATOM 1044 CB ARG A 66 -9.681 1.379 -8.722 1.00 0.00 C ATOM 1045 CG ARG A 66 -11.034 0.931 -8.168 1.00 0.00 C ATOM 1046 CD ARG A 66 -11.409 -0.421 -8.777 1.00 0.00 C ATOM 1047 NE ARG A 66 -12.799 -0.243 -9.280 1.00 0.00 N ATOM 1048 CZ ARG A 66 -13.806 -0.365 -8.461 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -14.254 -1.551 -8.148 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -14.365 0.698 -7.952 1.00 0.00 N ATOM 0 H ARG A 66 -7.252 1.898 -8.725 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.718 3.389 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.797 1.737 -9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.993 0.534 -8.756 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.987 0.853 -7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.798 1.672 -8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.729 -0.693 -9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.357 -1.217 -8.034 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.963 -0.026 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.816 -2.383 -8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.042 -1.646 -7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.014 1.625 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.153 0.603 -7.311 1.00 0.00 H new ATOM 1064 N VAL A 67 -8.221 1.068 -6.087 1.00 0.00 N ATOM 1065 CA VAL A 67 -8.103 0.567 -4.684 1.00 0.00 C ATOM 1066 C VAL A 67 -6.948 1.272 -3.970 1.00 0.00 C ATOM 1067 O VAL A 67 -5.976 0.657 -3.585 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.813 -0.929 -4.828 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.622 -1.135 -5.764 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.482 -1.520 -3.459 1.00 0.00 C ATOM 0 H VAL A 67 -7.623 0.595 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.001 0.755 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.692 -1.426 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.418 -2.201 -5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.852 -0.716 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.745 -0.635 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.276 -2.585 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.605 -1.019 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.329 -1.378 -2.787 1.00 0.00 H new ATOM 1080 N SER A 68 -7.037 2.562 -3.808 1.00 0.00 N ATOM 1081 CA SER A 68 -5.926 3.307 -3.141 1.00 0.00 C ATOM 1082 C SER A 68 -6.448 4.244 -2.048 1.00 0.00 C ATOM 1083 O SER A 68 -7.636 4.450 -1.898 1.00 0.00 O ATOM 1084 CB SER A 68 -5.305 4.125 -4.264 1.00 0.00 C ATOM 1085 OG SER A 68 -6.268 4.296 -5.293 1.00 0.00 O ATOM 0 H SER A 68 -7.827 3.134 -4.106 1.00 0.00 H new ATOM 0 HA SER A 68 -5.224 2.631 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.978 5.095 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.421 3.620 -4.654 1.00 0.00 H new ATOM 0 HG SER A 68 -6.056 3.701 -6.042 1.00 0.00 H new ATOM 1091 N ASP A 69 -5.551 4.822 -1.290 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.964 5.761 -0.207 1.00 0.00 C ATOM 1093 C ASP A 69 -6.533 7.037 -0.821 1.00 0.00 C ATOM 1094 O ASP A 69 -5.957 8.100 -0.711 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.678 6.060 0.566 1.00 0.00 C ATOM 1096 CG ASP A 69 -5.009 6.883 1.811 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -6.158 6.867 2.220 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -4.107 7.516 2.335 1.00 0.00 O ATOM 0 H ASP A 69 -4.544 4.682 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.736 5.344 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.189 5.129 0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.979 6.606 -0.068 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.658 6.933 -1.473 1.00 0.00 N ATOM 1104 CA CYS A 70 -8.275 8.130 -2.110 1.00 0.00 C ATOM 1105 C CYS A 70 -7.209 8.925 -2.873 1.00 0.00 C ATOM 1106 O CYS A 70 -6.952 8.679 -4.039 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.850 8.953 -0.955 1.00 0.00 C ATOM 1108 SG CYS A 70 -9.313 10.597 -1.555 1.00 0.00 S ATOM 0 H CYS A 70 -8.179 6.065 -1.592 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.048 7.864 -2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.720 8.450 -0.534 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.114 9.040 -0.155 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.803 11.295 -0.574 1.00 0.00 H new ATOM 1114 N SER A 71 -6.570 9.861 -2.222 1.00 0.00 N ATOM 1115 CA SER A 71 -5.505 10.642 -2.906 1.00 0.00 C ATOM 1116 C SER A 71 -4.638 9.680 -3.704 1.00 0.00 C ATOM 1117 O SER A 71 -4.374 9.874 -4.874 1.00 0.00 O ATOM 1118 CB SER A 71 -4.703 11.270 -1.775 1.00 0.00 C ATOM 1119 OG SER A 71 -3.702 12.120 -2.319 1.00 0.00 O ATOM 0 H SER A 71 -6.741 10.116 -1.249 1.00 0.00 H new ATOM 0 HA SER A 71 -5.890 11.396 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.362 11.840 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.243 10.492 -1.166 1.00 0.00 H new ATOM 0 HG SER A 71 -3.187 12.526 -1.591 1.00 0.00 H new ATOM 1125 N SER A 72 -4.218 8.623 -3.071 1.00 0.00 N ATOM 1126 CA SER A 72 -3.390 7.613 -3.782 1.00 0.00 C ATOM 1127 C SER A 72 -4.092 7.226 -5.080 1.00 0.00 C ATOM 1128 O SER A 72 -3.469 7.042 -6.098 1.00 0.00 O ATOM 1129 CB SER A 72 -3.301 6.418 -2.835 1.00 0.00 C ATOM 1130 OG SER A 72 -2.874 5.273 -3.562 1.00 0.00 O ATOM 0 H SER A 72 -4.412 8.415 -2.092 1.00 0.00 H new ATOM 0 HA SER A 72 -2.397 7.983 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.602 6.631 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.272 6.230 -2.376 1.00 0.00 H new ATOM 0 HG SER A 72 -1.921 5.115 -3.394 1.00 0.00 H new ATOM 1136 N ALA A 73 -5.390 7.133 -5.071 1.00 0.00 N ATOM 1137 CA ALA A 73 -6.092 6.796 -6.338 1.00 0.00 C ATOM 1138 C ALA A 73 -5.566 7.730 -7.421 1.00 0.00 C ATOM 1139 O ALA A 73 -5.321 7.332 -8.542 1.00 0.00 O ATOM 1140 CB ALA A 73 -7.572 7.034 -6.060 1.00 0.00 C ATOM 0 H ALA A 73 -5.987 7.273 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.934 5.770 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.152 6.805 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.897 6.391 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.727 8.077 -5.785 1.00 0.00 H new ATOM 1146 N LYS A 74 -5.341 8.965 -7.069 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.771 9.924 -8.054 1.00 0.00 C ATOM 1148 C LYS A 74 -3.294 9.575 -8.245 1.00 0.00 C ATOM 1149 O LYS A 74 -2.718 9.762 -9.299 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.921 11.300 -7.404 1.00 0.00 C ATOM 1151 CG LYS A 74 -4.548 12.384 -8.416 1.00 0.00 C ATOM 1152 CD LYS A 74 -3.181 12.968 -8.054 1.00 0.00 C ATOM 1153 CE LYS A 74 -3.367 14.344 -7.411 1.00 0.00 C ATOM 1154 NZ LYS A 74 -2.855 15.312 -8.421 1.00 0.00 N ATOM 0 H LYS A 74 -5.527 9.351 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.261 9.896 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.946 11.443 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.280 11.371 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.522 11.965 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.303 13.170 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.659 12.301 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.562 13.053 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.415 14.533 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.814 14.421 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.949 16.280 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.853 15.112 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.405 15.221 -9.299 1.00 0.00 H new ATOM 1168 N ARG A 75 -2.694 9.049 -7.211 1.00 0.00 N ATOM 1169 CA ARG A 75 -1.260 8.645 -7.264 1.00 0.00 C ATOM 1170 C ARG A 75 -1.155 7.121 -7.122 1.00 0.00 C ATOM 1171 O ARG A 75 -0.382 6.611 -6.337 1.00 0.00 O ATOM 1172 CB ARG A 75 -0.628 9.332 -6.053 1.00 0.00 C ATOM 1173 CG ARG A 75 0.816 9.699 -6.372 1.00 0.00 C ATOM 1174 CD ARG A 75 1.399 10.536 -5.230 1.00 0.00 C ATOM 1175 NE ARG A 75 1.448 11.927 -5.760 1.00 0.00 N ATOM 1176 CZ ARG A 75 2.526 12.644 -5.608 1.00 0.00 C ATOM 1177 NH1 ARG A 75 3.118 12.695 -4.447 1.00 0.00 N ATOM 1178 NH2 ARG A 75 3.013 13.312 -6.618 1.00 0.00 N ATOM 0 H ARG A 75 -3.148 8.879 -6.313 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.772 8.922 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.193 10.227 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.663 8.671 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.409 8.795 -6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.861 10.259 -7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.776 10.475 -4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.392 10.185 -4.950 1.00 0.00 H new ATOM 0 HE ARG A 75 0.639 12.318 -6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.738 12.174 -3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.961 13.256 -4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.550 13.273 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.856 13.873 -6.499 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.950 6.396 -7.863 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.929 4.908 -7.762 1.00 0.00 C ATOM 1194 C GLY A 76 -0.583 4.383 -8.236 1.00 0.00 C ATOM 1195 O GLY A 76 -0.260 3.224 -8.068 1.00 0.00 O ATOM 0 H GLY A 76 -2.616 6.773 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.108 4.601 -6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.730 4.481 -8.366 1.00 0.00 H new ATOM 1199 N GLY A 77 0.208 5.224 -8.826 1.00 0.00 N ATOM 1200 CA GLY A 77 1.532 4.764 -9.306 1.00 0.00 C ATOM 1201 C GLY A 77 2.436 4.484 -8.107 1.00 0.00 C ATOM 1202 O GLY A 77 2.302 3.480 -7.417 1.00 0.00 O ATOM 0 H GLY A 77 -0.003 6.207 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.420 3.863 -9.909 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.983 5.522 -9.946 1.00 0.00 H new ATOM 1206 N ASP A 78 3.362 5.356 -7.847 1.00 0.00 N ATOM 1207 CA ASP A 78 4.271 5.115 -6.702 1.00 0.00 C ATOM 1208 C ASP A 78 4.630 6.412 -5.976 1.00 0.00 C ATOM 1209 O ASP A 78 4.353 7.502 -6.436 1.00 0.00 O ATOM 1210 CB ASP A 78 5.515 4.480 -7.329 1.00 0.00 C ATOM 1211 CG ASP A 78 6.434 5.567 -7.898 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.951 6.347 -7.115 1.00 0.00 O ATOM 1213 OD2 ASP A 78 6.603 5.602 -9.106 1.00 0.00 O ATOM 0 H ASP A 78 3.528 6.215 -8.371 1.00 0.00 H new ATOM 0 HA ASP A 78 3.808 4.479 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.051 3.896 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.221 3.791 -8.121 1.00 0.00 H new ATOM 1218 N LEU A 79 5.264 6.282 -4.845 1.00 0.00 N ATOM 1219 CA LEU A 79 5.677 7.479 -4.064 1.00 0.00 C ATOM 1220 C LEU A 79 6.879 8.128 -4.739 1.00 0.00 C ATOM 1221 O LEU A 79 6.779 9.135 -5.411 1.00 0.00 O ATOM 1222 CB LEU A 79 6.105 6.928 -2.701 1.00 0.00 C ATOM 1223 CG LEU A 79 4.882 6.539 -1.874 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.053 5.493 -2.622 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.346 5.947 -0.544 1.00 0.00 C ATOM 0 H LEU A 79 5.516 5.388 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 79 4.882 8.221 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.749 6.060 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.690 7.677 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 79 4.271 7.425 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.183 5.222 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.723 5.904 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.661 4.606 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.478 5.667 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.957 5.064 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.935 6.687 -0.002 1.00 0.00 H new ATOM 1237 N GLY A 80 8.018 7.535 -4.545 1.00 0.00 N ATOM 1238 CA GLY A 80 9.272 8.053 -5.135 1.00 0.00 C ATOM 1239 C GLY A 80 10.410 7.622 -4.232 1.00 0.00 C ATOM 1240 O GLY A 80 10.902 6.523 -4.337 1.00 0.00 O ATOM 0 H GLY A 80 8.132 6.689 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.412 7.662 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.237 9.139 -5.217 1.00 0.00 H new ATOM 1244 N SER A 81 10.810 8.470 -3.327 1.00 0.00 N ATOM 1245 CA SER A 81 11.913 8.100 -2.398 1.00 0.00 C ATOM 1246 C SER A 81 11.737 8.787 -1.041 1.00 0.00 C ATOM 1247 O SER A 81 11.425 9.958 -0.960 1.00 0.00 O ATOM 1248 CB SER A 81 13.182 8.590 -3.081 1.00 0.00 C ATOM 1249 OG SER A 81 13.415 9.949 -2.738 1.00 0.00 O ATOM 0 H SER A 81 10.421 9.403 -3.190 1.00 0.00 H new ATOM 0 HA SER A 81 11.936 7.028 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.030 7.977 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.087 8.489 -4.162 1.00 0.00 H new ATOM 0 HG SER A 81 14.233 10.262 -3.178 1.00 0.00 H new ATOM 1255 N PHE A 82 11.945 8.064 0.026 1.00 0.00 N ATOM 1256 CA PHE A 82 11.802 8.666 1.382 1.00 0.00 C ATOM 1257 C PHE A 82 12.480 7.772 2.423 1.00 0.00 C ATOM 1258 O PHE A 82 11.916 6.801 2.881 1.00 0.00 O ATOM 1259 CB PHE A 82 10.296 8.755 1.633 1.00 0.00 C ATOM 1260 CG PHE A 82 9.634 7.425 1.365 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.444 6.978 0.050 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.197 6.642 2.437 1.00 0.00 C ATOM 1263 CE1 PHE A 82 8.819 5.753 -0.189 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.573 5.415 2.197 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.383 4.972 0.883 1.00 0.00 C ATOM 0 H PHE A 82 12.209 7.079 0.016 1.00 0.00 H new ATOM 0 HA PHE A 82 12.272 9.647 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.111 9.059 2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.859 9.521 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.782 7.582 -0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.342 6.985 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.673 5.410 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.237 4.809 3.025 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.898 4.025 0.698 1.00 0.00 H new ATOM 1275 N GLY A 83 13.692 8.087 2.794 1.00 0.00 N ATOM 1276 CA GLY A 83 14.408 7.247 3.796 1.00 0.00 C ATOM 1277 C GLY A 83 13.574 7.137 5.074 1.00 0.00 C ATOM 1278 O GLY A 83 12.723 6.279 5.198 1.00 0.00 O ATOM 0 H GLY A 83 14.217 8.890 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.593 6.254 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.380 7.685 4.022 1.00 0.00 H new ATOM 1282 N ARG A 84 13.812 7.997 6.026 1.00 0.00 N ATOM 1283 CA ARG A 84 13.032 7.935 7.297 1.00 0.00 C ATOM 1284 C ARG A 84 12.060 9.115 7.380 1.00 0.00 C ATOM 1285 O ARG A 84 12.163 9.961 8.247 1.00 0.00 O ATOM 1286 CB ARG A 84 14.078 8.013 8.411 1.00 0.00 C ATOM 1287 CG ARG A 84 15.061 6.849 8.271 1.00 0.00 C ATOM 1288 CD ARG A 84 14.539 5.641 9.052 1.00 0.00 C ATOM 1289 NE ARG A 84 14.297 6.149 10.431 1.00 0.00 N ATOM 1290 CZ ARG A 84 15.292 6.260 11.269 1.00 0.00 C ATOM 1291 NH1 ARG A 84 16.000 7.357 11.300 1.00 0.00 N ATOM 1292 NH2 ARG A 84 15.581 5.274 12.073 1.00 0.00 N ATOM 0 H ARG A 84 14.511 8.739 5.980 1.00 0.00 H new ATOM 0 HA ARG A 84 12.432 7.028 7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.612 8.962 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.591 7.976 9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.186 6.589 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.042 7.141 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.623 5.250 8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.265 4.828 9.053 1.00 0.00 H new ATOM 0 HE ARG A 84 13.354 6.410 10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.776 8.127 10.670 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.777 7.444 11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 84 15.030 4.416 12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.358 5.361 12.728 1.00 0.00 H new ATOM 1306 N GLY A 85 11.114 9.173 6.483 1.00 0.00 N ATOM 1307 CA GLY A 85 10.128 10.292 6.501 1.00 0.00 C ATOM 1308 C GLY A 85 8.901 9.893 5.678 1.00 0.00 C ATOM 1309 O GLY A 85 8.856 8.823 5.107 1.00 0.00 O ATOM 0 H GLY A 85 10.981 8.492 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.835 10.519 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.578 11.196 6.091 1.00 0.00 H new ATOM 1313 N GLN A 86 7.909 10.743 5.614 1.00 0.00 N ATOM 1314 CA GLN A 86 6.680 10.413 4.826 1.00 0.00 C ATOM 1315 C GLN A 86 5.942 9.231 5.452 1.00 0.00 C ATOM 1316 O GLN A 86 4.800 9.333 5.853 1.00 0.00 O ATOM 1317 CB GLN A 86 7.183 10.028 3.432 1.00 0.00 C ATOM 1318 CG GLN A 86 8.225 11.037 2.967 1.00 0.00 C ATOM 1319 CD GLN A 86 7.905 11.484 1.539 1.00 0.00 C ATOM 1320 OE1 GLN A 86 8.589 11.114 0.606 1.00 0.00 O ATOM 1321 NE2 GLN A 86 6.886 12.272 1.327 1.00 0.00 N ATOM 0 H GLN A 86 7.895 11.653 6.074 1.00 0.00 H new ATOM 0 HA GLN A 86 5.985 11.252 4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.615 9.028 3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.350 10.000 2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.235 11.898 3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.219 10.592 3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.311 12.583 2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.665 12.576 0.379 1.00 0.00 H new ATOM 1330 N MET A 87 6.589 8.106 5.517 1.00 0.00 N ATOM 1331 CA MET A 87 5.949 6.895 6.091 1.00 0.00 C ATOM 1332 C MET A 87 6.565 6.570 7.455 1.00 0.00 C ATOM 1333 O MET A 87 7.766 6.453 7.591 1.00 0.00 O ATOM 1334 CB MET A 87 6.258 5.817 5.063 1.00 0.00 C ATOM 1335 CG MET A 87 5.053 5.667 4.136 1.00 0.00 C ATOM 1336 SD MET A 87 5.623 5.513 2.428 1.00 0.00 S ATOM 1337 CE MET A 87 6.017 7.261 2.167 1.00 0.00 C ATOM 0 H MET A 87 7.547 7.972 5.193 1.00 0.00 H new ATOM 0 HA MET A 87 4.879 7.004 6.268 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.145 6.085 4.489 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.473 4.871 5.560 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.471 4.789 4.417 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.395 6.530 4.235 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.797 7.349 1.411 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.125 7.789 1.831 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.367 7.699 3.102 1.00 0.00 H new ATOM 1347 N GLN A 88 5.749 6.447 8.470 1.00 0.00 N ATOM 1348 CA GLN A 88 6.281 6.153 9.834 1.00 0.00 C ATOM 1349 C GLN A 88 7.091 4.846 9.846 1.00 0.00 C ATOM 1350 O GLN A 88 7.851 4.567 8.941 1.00 0.00 O ATOM 1351 CB GLN A 88 5.040 6.042 10.726 1.00 0.00 C ATOM 1352 CG GLN A 88 4.252 7.352 10.671 1.00 0.00 C ATOM 1353 CD GLN A 88 4.734 8.288 11.780 1.00 0.00 C ATOM 1354 OE1 GLN A 88 5.921 8.454 11.979 1.00 0.00 O ATOM 1355 NE2 GLN A 88 3.855 8.913 12.517 1.00 0.00 N ATOM 0 H GLN A 88 4.735 6.538 8.413 1.00 0.00 H new ATOM 0 HA GLN A 88 6.964 6.929 10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.413 5.214 10.394 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.335 5.826 11.753 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.383 7.826 9.698 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.187 7.152 10.787 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.858 8.774 12.350 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.165 9.540 13.259 1.00 0.00 H new ATOM 1364 N LYS A 89 6.950 4.056 10.879 1.00 0.00 N ATOM 1365 CA LYS A 89 7.730 2.783 10.965 1.00 0.00 C ATOM 1366 C LYS A 89 7.002 1.566 10.345 1.00 0.00 C ATOM 1367 O LYS A 89 7.645 0.576 10.059 1.00 0.00 O ATOM 1368 CB LYS A 89 7.945 2.563 12.463 1.00 0.00 C ATOM 1369 CG LYS A 89 6.606 2.268 13.142 1.00 0.00 C ATOM 1370 CD LYS A 89 6.818 2.145 14.652 1.00 0.00 C ATOM 1371 CE LYS A 89 6.462 0.728 15.106 1.00 0.00 C ATOM 1372 NZ LYS A 89 7.631 -0.109 14.712 1.00 0.00 N ATOM 0 H LYS A 89 6.329 4.237 11.667 1.00 0.00 H new ATOM 0 HA LYS A 89 8.657 2.869 10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.634 1.734 12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.401 3.447 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.894 3.065 12.927 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.181 1.345 12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.855 2.369 14.903 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.199 2.872 15.177 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.294 0.689 16.182 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.547 0.378 14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.507 -1.074 15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.702 -0.140 13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.501 0.302 15.106 1.00 0.00 H new ATOM 1386 N PRO A 90 5.701 1.641 10.154 1.00 0.00 N ATOM 1387 CA PRO A 90 4.981 0.483 9.571 1.00 0.00 C ATOM 1388 C PRO A 90 5.280 0.372 8.075 1.00 0.00 C ATOM 1389 O PRO A 90 5.860 -0.595 7.619 1.00 0.00 O ATOM 1390 CB PRO A 90 3.511 0.800 9.822 1.00 0.00 C ATOM 1391 CG PRO A 90 3.445 2.287 9.949 1.00 0.00 C ATOM 1392 CD PRO A 90 4.791 2.759 10.437 1.00 0.00 C ATOM 0 HA PRO A 90 5.276 -0.471 10.009 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.887 0.447 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.152 0.311 10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.203 2.744 8.989 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.660 2.578 10.647 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.104 3.666 9.920 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.768 2.991 11.502 1.00 0.00 H new ATOM 1400 N PHE A 91 4.900 1.351 7.305 1.00 0.00 N ATOM 1401 CA PHE A 91 5.180 1.280 5.847 1.00 0.00 C ATOM 1402 C PHE A 91 6.678 1.133 5.608 1.00 0.00 C ATOM 1403 O PHE A 91 7.137 0.162 5.040 1.00 0.00 O ATOM 1404 CB PHE A 91 4.684 2.609 5.261 1.00 0.00 C ATOM 1405 CG PHE A 91 4.952 2.623 3.768 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.266 2.593 3.283 1.00 0.00 C ATOM 1407 CD2 PHE A 91 3.883 2.631 2.869 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.511 2.571 1.916 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.130 2.615 1.487 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.446 2.582 1.012 1.00 0.00 C ATOM 0 H PHE A 91 4.412 2.190 7.619 1.00 0.00 H new ATOM 0 HA PHE A 91 4.687 0.425 5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.618 2.730 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.192 3.445 5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.094 2.587 3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.868 2.649 3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.527 2.545 1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.305 2.628 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.638 2.565 -0.051 1.00 0.00 H new ATOM 1420 N GLU A 92 7.437 2.116 6.004 1.00 0.00 N ATOM 1421 CA GLU A 92 8.909 2.074 5.773 1.00 0.00 C ATOM 1422 C GLU A 92 9.452 0.666 5.996 1.00 0.00 C ATOM 1423 O GLU A 92 9.963 0.037 5.091 1.00 0.00 O ATOM 1424 CB GLU A 92 9.502 3.050 6.789 1.00 0.00 C ATOM 1425 CG GLU A 92 9.337 4.483 6.277 1.00 0.00 C ATOM 1426 CD GLU A 92 10.198 5.427 7.117 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.953 4.935 7.939 1.00 0.00 O ATOM 1428 OE2 GLU A 92 10.087 6.626 6.924 1.00 0.00 O ATOM 0 H GLU A 92 7.099 2.952 6.481 1.00 0.00 H new ATOM 0 HA GLU A 92 9.167 2.346 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.003 2.937 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.557 2.829 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.630 4.542 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.290 4.782 6.332 1.00 0.00 H new ATOM 1435 N GLU A 93 9.346 0.165 7.190 1.00 0.00 N ATOM 1436 CA GLU A 93 9.858 -1.205 7.459 1.00 0.00 C ATOM 1437 C GLU A 93 9.394 -2.152 6.353 1.00 0.00 C ATOM 1438 O GLU A 93 10.047 -3.129 6.043 1.00 0.00 O ATOM 1439 CB GLU A 93 9.256 -1.600 8.808 1.00 0.00 C ATOM 1440 CG GLU A 93 10.050 -0.935 9.934 1.00 0.00 C ATOM 1441 CD GLU A 93 11.430 -1.586 10.038 1.00 0.00 C ATOM 1442 OE1 GLU A 93 11.482 -2.784 10.264 1.00 0.00 O ATOM 1443 OE2 GLU A 93 12.411 -0.876 9.889 1.00 0.00 O ATOM 0 H GLU A 93 8.929 0.641 7.990 1.00 0.00 H new ATOM 0 HA GLU A 93 10.947 -1.250 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.211 -1.294 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.277 -2.684 8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.153 0.132 9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.516 -1.036 10.879 1.00 0.00 H new ATOM 1450 N ALA A 94 8.274 -1.865 5.748 1.00 0.00 N ATOM 1451 CA ALA A 94 7.775 -2.742 4.651 1.00 0.00 C ATOM 1452 C ALA A 94 8.660 -2.587 3.420 1.00 0.00 C ATOM 1453 O ALA A 94 9.212 -3.541 2.908 1.00 0.00 O ATOM 1454 CB ALA A 94 6.366 -2.236 4.349 1.00 0.00 C ATOM 0 H ALA A 94 7.683 -1.062 5.965 1.00 0.00 H new ATOM 0 HA ALA A 94 7.782 -3.796 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.929 -2.833 3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.749 -2.321 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.413 -1.192 4.039 1.00 0.00 H new ATOM 1460 N THR A 95 8.801 -1.387 2.944 1.00 0.00 N ATOM 1461 CA THR A 95 9.653 -1.162 1.748 1.00 0.00 C ATOM 1462 C THR A 95 11.117 -1.380 2.124 1.00 0.00 C ATOM 1463 O THR A 95 11.928 -1.776 1.311 1.00 0.00 O ATOM 1464 CB THR A 95 9.406 0.289 1.340 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.007 0.527 1.285 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.023 0.539 -0.036 1.00 0.00 C ATOM 0 H THR A 95 8.363 -0.551 3.331 1.00 0.00 H new ATOM 0 HA THR A 95 9.420 -1.845 0.931 1.00 0.00 H new ATOM 0 HB THR A 95 9.861 0.960 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.742 1.095 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.849 1.574 -0.330 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.096 0.350 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.565 -0.128 -0.767 1.00 0.00 H new ATOM 1474 N TYR A 96 11.454 -1.140 3.361 1.00 0.00 N ATOM 1475 CA TYR A 96 12.858 -1.353 3.799 1.00 0.00 C ATOM 1476 C TYR A 96 13.119 -2.857 3.907 1.00 0.00 C ATOM 1477 O TYR A 96 14.234 -3.318 3.761 1.00 0.00 O ATOM 1478 CB TYR A 96 12.957 -0.677 5.167 1.00 0.00 C ATOM 1479 CG TYR A 96 13.517 0.718 5.000 1.00 0.00 C ATOM 1480 CD1 TYR A 96 14.868 0.899 4.675 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.683 1.831 5.166 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.383 2.192 4.518 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.201 3.123 5.008 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.549 3.302 4.685 1.00 0.00 C ATOM 1485 OH TYR A 96 15.058 4.576 4.532 1.00 0.00 O ATOM 0 H TYR A 96 10.818 -0.806 4.085 1.00 0.00 H new ATOM 0 HA TYR A 96 13.592 -0.942 3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 96 11.973 -0.632 5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.598 -1.261 5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.512 0.042 4.546 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.641 1.693 5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.424 2.332 4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.558 3.981 5.136 1.00 0.00 H new ATOM 0 HH TYR A 96 15.794 4.559 3.886 1.00 0.00 H new ATOM 1495 N ALA A 97 12.088 -3.626 4.144 1.00 0.00 N ATOM 1496 CA ALA A 97 12.263 -5.103 4.243 1.00 0.00 C ATOM 1497 C ALA A 97 12.441 -5.693 2.842 1.00 0.00 C ATOM 1498 O ALA A 97 13.025 -6.744 2.665 1.00 0.00 O ATOM 1499 CB ALA A 97 10.970 -5.615 4.879 1.00 0.00 C ATOM 0 H ALA A 97 11.132 -3.293 4.273 1.00 0.00 H new ATOM 0 HA ALA A 97 13.139 -5.383 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.021 -6.699 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.842 -5.159 5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.124 -5.353 4.244 1.00 0.00 H new ATOM 1505 N LEU A 98 11.937 -5.017 1.846 1.00 0.00 N ATOM 1506 CA LEU A 98 12.071 -5.523 0.450 1.00 0.00 C ATOM 1507 C LEU A 98 13.351 -4.969 -0.183 1.00 0.00 C ATOM 1508 O LEU A 98 13.749 -3.852 0.082 1.00 0.00 O ATOM 1509 CB LEU A 98 10.835 -4.988 -0.276 1.00 0.00 C ATOM 1510 CG LEU A 98 10.347 -6.016 -1.298 1.00 0.00 C ATOM 1511 CD1 LEU A 98 9.546 -7.108 -0.587 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.452 -5.320 -2.327 1.00 0.00 C ATOM 0 H LEU A 98 11.437 -4.133 1.939 1.00 0.00 H new ATOM 0 HA LEU A 98 12.135 -6.610 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.044 -4.773 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.074 -4.050 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 98 11.205 -6.465 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.199 -7.839 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.179 -7.603 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.688 -6.661 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.102 -6.049 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.596 -4.873 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.020 -4.541 -2.836 1.00 0.00 H new ATOM 1524 N LYS A 99 14.001 -5.738 -1.013 1.00 0.00 N ATOM 1525 CA LYS A 99 15.255 -5.243 -1.652 1.00 0.00 C ATOM 1526 C LYS A 99 14.923 -4.262 -2.782 1.00 0.00 C ATOM 1527 O LYS A 99 14.738 -3.082 -2.552 1.00 0.00 O ATOM 1528 CB LYS A 99 15.946 -6.493 -2.198 1.00 0.00 C ATOM 1529 CG LYS A 99 16.758 -7.151 -1.080 1.00 0.00 C ATOM 1530 CD LYS A 99 17.297 -8.501 -1.558 1.00 0.00 C ATOM 1531 CE LYS A 99 18.827 -8.464 -1.578 1.00 0.00 C ATOM 1532 NZ LYS A 99 19.231 -9.713 -2.282 1.00 0.00 N ATOM 0 H LYS A 99 13.721 -6.683 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 99 15.893 -4.706 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.205 -7.192 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.599 -6.228 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.584 -6.502 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.133 -7.290 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.951 -9.297 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.915 -8.724 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.194 -7.580 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.235 -8.430 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.268 -9.761 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.873 -10.538 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.834 -9.714 -3.243 1.00 0.00 H new ATOM 1546 N VAL A 100 14.846 -4.732 -3.999 1.00 0.00 N ATOM 1547 CA VAL A 100 14.525 -3.809 -5.126 1.00 0.00 C ATOM 1548 C VAL A 100 13.289 -4.307 -5.885 1.00 0.00 C ATOM 1549 O VAL A 100 12.541 -3.532 -6.441 1.00 0.00 O ATOM 1550 CB VAL A 100 15.785 -3.803 -6.015 1.00 0.00 C ATOM 1551 CG1 VAL A 100 15.583 -4.665 -7.268 1.00 0.00 C ATOM 1552 CG2 VAL A 100 16.088 -2.366 -6.446 1.00 0.00 C ATOM 0 H VAL A 100 14.990 -5.707 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 100 14.282 -2.802 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 100 16.614 -4.215 -5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.488 -4.642 -7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 100 15.371 -5.692 -6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 100 14.747 -4.274 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.978 -2.355 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 100 15.242 -1.968 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 100 16.260 -1.750 -5.563 1.00 0.00 H new ATOM 1562 N GLY A 101 13.072 -5.591 -5.920 1.00 0.00 N ATOM 1563 CA GLY A 101 11.891 -6.115 -6.650 1.00 0.00 C ATOM 1564 C GLY A 101 10.922 -6.755 -5.661 1.00 0.00 C ATOM 1565 O GLY A 101 10.402 -6.106 -4.776 1.00 0.00 O ATOM 0 H GLY A 101 13.660 -6.296 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.396 -5.307 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.206 -6.848 -7.393 1.00 0.00 H new ATOM 1569 N ASP A 102 10.682 -8.027 -5.805 1.00 0.00 N ATOM 1570 CA ASP A 102 9.745 -8.726 -4.878 1.00 0.00 C ATOM 1571 C ASP A 102 8.482 -7.882 -4.659 1.00 0.00 C ATOM 1572 O ASP A 102 8.291 -6.856 -5.281 1.00 0.00 O ATOM 1573 CB ASP A 102 10.524 -8.882 -3.571 1.00 0.00 C ATOM 1574 CG ASP A 102 11.917 -9.438 -3.869 1.00 0.00 C ATOM 1575 OD1 ASP A 102 12.162 -9.788 -5.012 1.00 0.00 O ATOM 1576 OD2 ASP A 102 12.716 -9.503 -2.950 1.00 0.00 O ATOM 0 H ASP A 102 11.095 -8.617 -6.527 1.00 0.00 H new ATOM 0 HA ASP A 102 9.415 -9.687 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.606 -7.919 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.991 -9.551 -2.895 1.00 0.00 H new ATOM 1581 N ILE A 103 7.619 -8.306 -3.778 1.00 0.00 N ATOM 1582 CA ILE A 103 6.374 -7.527 -3.513 1.00 0.00 C ATOM 1583 C ILE A 103 6.094 -7.510 -2.009 1.00 0.00 C ATOM 1584 O ILE A 103 5.771 -8.522 -1.418 1.00 0.00 O ATOM 1585 CB ILE A 103 5.262 -8.263 -4.268 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.525 -8.180 -5.775 1.00 0.00 C ATOM 1587 CG2 ILE A 103 3.913 -7.608 -3.960 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.817 -9.336 -6.484 1.00 0.00 C ATOM 0 H ILE A 103 7.721 -9.159 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 103 6.452 -6.490 -3.840 1.00 0.00 H new ATOM 0 HB ILE A 103 5.244 -9.307 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.167 -7.227 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.597 -8.222 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.123 -8.132 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.719 -7.660 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.935 -6.565 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.005 -9.275 -7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.196 -10.284 -6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.744 -9.274 -6.300 1.00 0.00 H new ATOM 1600 N SER A 104 6.231 -6.368 -1.387 1.00 0.00 N ATOM 1601 CA SER A 104 5.987 -6.274 0.083 1.00 0.00 C ATOM 1602 C SER A 104 4.798 -7.148 0.489 1.00 0.00 C ATOM 1603 O SER A 104 3.962 -7.492 -0.323 1.00 0.00 O ATOM 1604 CB SER A 104 5.682 -4.799 0.336 1.00 0.00 C ATOM 1605 OG SER A 104 6.230 -4.413 1.588 1.00 0.00 O ATOM 0 H SER A 104 6.502 -5.493 -1.836 1.00 0.00 H new ATOM 0 HA SER A 104 6.841 -6.622 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.103 -4.187 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.605 -4.633 0.331 1.00 0.00 H new ATOM 0 HG SER A 104 6.620 -3.517 1.512 1.00 0.00 H new ATOM 1611 N ASP A 105 4.721 -7.514 1.739 1.00 0.00 N ATOM 1612 CA ASP A 105 3.591 -8.371 2.197 1.00 0.00 C ATOM 1613 C ASP A 105 2.457 -7.506 2.758 1.00 0.00 C ATOM 1614 O ASP A 105 2.509 -6.293 2.719 1.00 0.00 O ATOM 1615 CB ASP A 105 4.186 -9.253 3.295 1.00 0.00 C ATOM 1616 CG ASP A 105 4.435 -8.412 4.548 1.00 0.00 C ATOM 1617 OD1 ASP A 105 5.481 -7.788 4.621 1.00 0.00 O ATOM 1618 OD2 ASP A 105 3.576 -8.405 5.413 1.00 0.00 O ATOM 0 H ASP A 105 5.392 -7.257 2.463 1.00 0.00 H new ATOM 0 HA ASP A 105 3.165 -8.959 1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 105 3.507 -10.074 3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 105 5.120 -9.698 2.952 1.00 0.00 H new ATOM 1623 N ILE A 106 1.433 -8.125 3.278 1.00 0.00 N ATOM 1624 CA ILE A 106 0.292 -7.348 3.843 1.00 0.00 C ATOM 1625 C ILE A 106 0.799 -6.150 4.653 1.00 0.00 C ATOM 1626 O ILE A 106 1.440 -6.304 5.674 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.455 -8.330 4.751 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.562 -9.099 5.632 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.277 -9.288 3.880 1.00 0.00 C ATOM 1630 CD1 ILE A 106 0.243 -10.602 5.673 1.00 0.00 C ATOM 0 H ILE A 106 1.336 -9.139 3.336 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.350 -6.947 3.059 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.135 -7.794 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.569 -8.950 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.548 -8.695 6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.812 -9.991 4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.993 -8.718 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.611 -9.837 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.975 -11.112 6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.755 -10.751 6.086 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.282 -11.010 4.663 1.00 0.00 H new ATOM 1642 N VAL A 107 0.505 -4.957 4.207 1.00 0.00 N ATOM 1643 CA VAL A 107 0.956 -3.744 4.950 1.00 0.00 C ATOM 1644 C VAL A 107 -0.262 -3.036 5.557 1.00 0.00 C ATOM 1645 O VAL A 107 -0.871 -2.187 4.936 1.00 0.00 O ATOM 1646 CB VAL A 107 1.627 -2.866 3.890 1.00 0.00 C ATOM 1647 CG1 VAL A 107 1.907 -1.478 4.467 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.947 -3.507 3.458 1.00 0.00 C ATOM 0 H VAL A 107 -0.029 -4.770 3.358 1.00 0.00 H new ATOM 0 HA VAL A 107 1.636 -3.973 5.771 1.00 0.00 H new ATOM 0 HB VAL A 107 0.963 -2.774 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.384 -0.858 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.969 -1.016 4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.567 -1.569 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.425 -2.882 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.606 -3.601 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.752 -4.495 3.041 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.633 -3.391 6.759 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.827 -2.749 7.393 1.00 0.00 C ATOM 1660 C ASP A 108 -1.408 -1.554 8.256 1.00 0.00 C ATOM 1661 O ASP A 108 -0.876 -1.709 9.339 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.490 -3.831 8.263 1.00 0.00 C ATOM 1663 CG ASP A 108 -2.123 -5.235 7.762 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.957 -5.585 7.844 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -3.014 -5.932 7.307 1.00 0.00 O ATOM 0 H ASP A 108 -0.164 -4.095 7.329 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.514 -2.371 6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.173 -3.715 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.573 -3.705 8.245 1.00 0.00 H new ATOM 1670 N THR A 109 -1.658 -0.363 7.784 1.00 0.00 N ATOM 1671 CA THR A 109 -1.294 0.854 8.567 1.00 0.00 C ATOM 1672 C THR A 109 -1.783 2.108 7.838 1.00 0.00 C ATOM 1673 O THR A 109 -2.647 2.045 6.987 1.00 0.00 O ATOM 1674 CB THR A 109 0.234 0.847 8.653 1.00 0.00 C ATOM 1675 OG1 THR A 109 0.661 1.942 9.455 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.832 0.969 7.249 1.00 0.00 C ATOM 0 H THR A 109 -2.101 -0.179 6.884 1.00 0.00 H new ATOM 0 HA THR A 109 -1.750 0.855 9.557 1.00 0.00 H new ATOM 0 HB THR A 109 0.571 -0.088 9.101 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.713 1.660 10.392 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.920 0.964 7.315 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.501 0.129 6.638 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.501 1.902 6.792 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.237 3.246 8.164 1.00 0.00 N ATOM 1685 CA ASP A 110 -1.670 4.505 7.490 1.00 0.00 C ATOM 1686 C ASP A 110 -3.199 4.637 7.533 1.00 0.00 C ATOM 1687 O ASP A 110 -3.759 5.120 8.497 1.00 0.00 O ATOM 1688 CB ASP A 110 -1.180 4.373 6.047 1.00 0.00 C ATOM 1689 CG ASP A 110 0.191 5.039 5.911 1.00 0.00 C ATOM 1690 OD1 ASP A 110 0.942 5.003 6.871 1.00 0.00 O ATOM 1691 OD2 ASP A 110 0.465 5.573 4.849 1.00 0.00 O ATOM 0 H ASP A 110 -0.509 3.360 8.869 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.265 5.392 7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.114 3.321 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.892 4.839 5.366 1.00 0.00 H new ATOM 1696 N SER A 111 -3.879 4.214 6.499 1.00 0.00 N ATOM 1697 CA SER A 111 -5.368 4.321 6.489 1.00 0.00 C ATOM 1698 C SER A 111 -5.997 2.941 6.684 1.00 0.00 C ATOM 1699 O SER A 111 -7.070 2.805 7.238 1.00 0.00 O ATOM 1700 CB SER A 111 -5.718 4.870 5.107 1.00 0.00 C ATOM 1701 OG SER A 111 -6.078 6.240 5.222 1.00 0.00 O ATOM 0 H SER A 111 -3.468 3.800 5.662 1.00 0.00 H new ATOM 0 HA SER A 111 -5.739 4.960 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.868 4.761 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.541 4.301 4.675 1.00 0.00 H new ATOM 0 HG SER A 111 -6.154 6.634 4.328 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.333 1.916 6.230 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.882 0.541 6.383 1.00 0.00 C ATOM 1709 C GLY A 112 -4.827 -0.470 5.945 1.00 0.00 C ATOM 1710 O GLY A 112 -3.802 -0.626 6.576 1.00 0.00 O ATOM 0 H GLY A 112 -4.431 1.972 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.166 0.363 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.784 0.427 5.782 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.062 -1.147 4.859 1.00 0.00 N ATOM 1715 CA VAL A 113 -4.064 -2.134 4.369 1.00 0.00 C ATOM 1716 C VAL A 113 -3.572 -1.704 2.991 1.00 0.00 C ATOM 1717 O VAL A 113 -4.350 -1.456 2.090 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.809 -3.465 4.308 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -5.031 -3.992 5.727 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -6.160 -3.254 3.644 1.00 0.00 C ATOM 0 H VAL A 113 -5.903 -1.060 4.289 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.187 -2.211 5.012 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.221 -4.183 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.563 -4.942 5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.068 -4.138 6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.621 -3.272 6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.695 -4.202 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.742 -2.536 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.013 -2.871 2.634 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.287 -1.581 2.828 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.754 -1.131 1.516 1.00 0.00 C ATOM 1732 C HIS A 114 -0.769 -2.149 0.938 1.00 0.00 C ATOM 1733 O HIS A 114 -0.451 -3.152 1.550 1.00 0.00 O ATOM 1734 CB HIS A 114 -1.019 0.182 1.810 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.816 1.040 2.758 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -2.110 2.367 2.480 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.360 0.789 3.994 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.799 2.858 3.525 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.979 1.938 4.476 1.00 0.00 N ATOM 0 H HIS A 114 -1.585 -1.772 3.543 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.555 -1.014 0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.041 -0.032 2.241 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.846 0.724 0.880 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -1.851 2.878 1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.314 -0.157 4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.163 3.873 3.588 1.00 0.00 H new ATOM 1747 N ILE A 115 -0.273 -1.872 -0.236 1.00 0.00 N ATOM 1748 CA ILE A 115 0.715 -2.781 -0.884 1.00 0.00 C ATOM 1749 C ILE A 115 1.959 -1.964 -1.238 1.00 0.00 C ATOM 1750 O ILE A 115 1.909 -0.752 -1.271 1.00 0.00 O ATOM 1751 CB ILE A 115 0.036 -3.302 -2.160 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -1.470 -3.476 -1.923 1.00 0.00 C ATOM 1753 CG2 ILE A 115 0.645 -4.651 -2.548 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -2.115 -4.113 -3.155 1.00 0.00 C ATOM 0 H ILE A 115 -0.513 -1.044 -0.781 1.00 0.00 H new ATOM 0 HA ILE A 115 1.014 -3.608 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 115 0.191 -2.582 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.640 -4.102 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.930 -2.509 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 115 0.163 -5.021 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 115 1.713 -4.530 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 115 0.493 -5.365 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -3.184 -4.235 -2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.957 -3.471 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.663 -5.088 -3.339 1.00 0.00 H new ATOM 1766 N ILE A 116 3.070 -2.595 -1.501 1.00 0.00 N ATOM 1767 CA ILE A 116 4.292 -1.808 -1.846 1.00 0.00 C ATOM 1768 C ILE A 116 5.166 -2.573 -2.849 1.00 0.00 C ATOM 1769 O ILE A 116 5.229 -3.787 -2.840 1.00 0.00 O ATOM 1770 CB ILE A 116 5.029 -1.609 -0.513 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.458 -0.393 0.216 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.521 -1.372 -0.764 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.072 -0.796 1.638 1.00 0.00 C ATOM 0 H ILE A 116 3.187 -3.608 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 116 4.046 -0.857 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 116 4.897 -2.505 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.194 0.410 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.587 -0.011 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.032 -1.232 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.944 -2.233 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.650 -0.481 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.664 0.068 2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.322 -1.586 1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.954 -1.158 2.166 1.00 0.00 H new ATOM 1785 N LYS A 117 5.849 -1.861 -3.705 1.00 0.00 N ATOM 1786 CA LYS A 117 6.735 -2.521 -4.706 1.00 0.00 C ATOM 1787 C LYS A 117 8.053 -1.748 -4.805 1.00 0.00 C ATOM 1788 O LYS A 117 8.209 -0.704 -4.204 1.00 0.00 O ATOM 1789 CB LYS A 117 5.970 -2.454 -6.028 1.00 0.00 C ATOM 1790 CG LYS A 117 4.630 -3.174 -5.876 1.00 0.00 C ATOM 1791 CD LYS A 117 4.213 -3.768 -7.223 1.00 0.00 C ATOM 1792 CE LYS A 117 4.191 -2.666 -8.284 1.00 0.00 C ATOM 1793 NZ LYS A 117 5.444 -2.863 -9.063 1.00 0.00 N ATOM 0 H LYS A 117 5.830 -0.842 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 117 6.978 -3.549 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.807 -1.415 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.555 -2.915 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.712 -3.963 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.869 -2.478 -5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.908 -4.555 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.228 -4.227 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.311 -2.749 -8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.161 -1.677 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.153 -2.164 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.811 -3.822 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.245 -2.742 -10.077 1.00 0.00 H new ATOM 1807 N ARG A 118 9.002 -2.246 -5.548 1.00 0.00 N ATOM 1808 CA ARG A 118 10.305 -1.526 -5.663 1.00 0.00 C ATOM 1809 C ARG A 118 10.869 -1.644 -7.083 1.00 0.00 C ATOM 1810 O ARG A 118 10.182 -2.035 -8.006 1.00 0.00 O ATOM 1811 CB ARG A 118 11.225 -2.225 -4.662 1.00 0.00 C ATOM 1812 CG ARG A 118 10.826 -1.830 -3.239 1.00 0.00 C ATOM 1813 CD ARG A 118 12.026 -1.209 -2.523 1.00 0.00 C ATOM 1814 NE ARG A 118 12.255 0.090 -3.214 1.00 0.00 N ATOM 1815 CZ ARG A 118 13.466 0.559 -3.333 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.199 0.221 -4.359 1.00 0.00 N ATOM 1817 NH2 ARG A 118 13.945 1.363 -2.424 1.00 0.00 N ATOM 0 H ARG A 118 8.935 -3.115 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 118 10.203 -0.460 -5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.157 -3.306 -4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.262 -1.948 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 118 9.999 -1.121 -3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.477 -2.706 -2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 118 11.820 -1.062 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.903 -1.853 -2.591 1.00 0.00 H new ATOM 0 HE ARG A 118 11.466 0.612 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.825 -0.410 -5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.146 0.588 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.372 1.624 -1.621 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.892 1.730 -2.516 1.00 0.00 H new ATOM 1831 N THR A 119 12.119 -1.307 -7.258 1.00 0.00 N ATOM 1832 CA THR A 119 12.742 -1.396 -8.611 1.00 0.00 C ATOM 1833 C THR A 119 12.790 -2.852 -9.081 1.00 0.00 C ATOM 1834 O THR A 119 11.869 -3.614 -8.866 1.00 0.00 O ATOM 1835 CB THR A 119 14.156 -0.839 -8.429 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.191 -0.013 -7.274 1.00 0.00 O ATOM 1837 CG2 THR A 119 14.544 -0.017 -9.659 1.00 0.00 C ATOM 0 H THR A 119 12.738 -0.973 -6.519 1.00 0.00 H new ATOM 0 HA THR A 119 12.179 -0.844 -9.363 1.00 0.00 H new ATOM 0 HB THR A 119 14.860 -1.662 -8.309 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.096 0.344 -7.154 1.00 0.00 H new ATOM 0 HG21 THR A 119 15.551 0.379 -9.529 1.00 0.00 H new ATOM 0 HG22 THR A 119 14.516 -0.652 -10.545 1.00 0.00 H new ATOM 0 HG23 THR A 119 13.842 0.808 -9.781 1.00 0.00 H new ATOM 1845 N ALA A 120 13.858 -3.244 -9.726 1.00 0.00 N ATOM 1846 CA ALA A 120 13.970 -4.651 -10.217 1.00 0.00 C ATOM 1847 C ALA A 120 13.021 -4.876 -11.398 1.00 0.00 C ATOM 1848 O ALA A 120 13.491 -4.846 -12.524 1.00 0.00 O ATOM 1849 CB ALA A 120 13.568 -5.532 -9.032 1.00 0.00 C ATOM 1850 OXT ALA A 120 11.842 -5.077 -11.156 1.00 0.00 O ATOM 0 H ALA A 120 14.660 -2.649 -9.935 1.00 0.00 H new ATOM 0 HA ALA A 120 14.977 -4.881 -10.566 1.00 0.00 H new ATOM 0 HB1 ALA A 120 13.627 -6.581 -9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.243 -5.348 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 120 12.547 -5.296 -8.733 1.00 0.00 H new