USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 482 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 89 ASN : amide:sc= -1.62 K(o=-4.6,f=-14!) USER MOD Set 1.2: A 108 SER OG : rot -69:sc= -2.94! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.343) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 66 LYS NZ :NH3+ -101:sc= -0.0357 (180deg=-0.0939) USER MOD Single : A 67 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.21) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0.00934 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= -0.134 (180deg=-0.134) USER MOD Single : A 92 SER OG : rot 180:sc= -0.156 USER MOD Single : A 96 LYS NZ :NH3+ -107:sc= -6.74! (180deg=-9.03!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 98 TYR OH : rot -111:sc= -0.802 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.225 K(o=-0.23,f=-0.95) USER MOD Single : A 107 ASN : amide:sc= -0.0056 X(o=-0.0056,f=-0.047) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 72:sc= 0.123 USER MOD Single : A 115 SER OG : rot -150:sc= -1.25 USER MOD Single : A 117 MET CE :methyl 162:sc= -3.31! (180deg=-4.15!) USER MOD Single : A 119 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0185) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.810 -11.194 7.062 1.00 0.00 N ATOM 70 CA PRO A 9 -11.602 -10.496 6.657 1.00 0.00 C ATOM 71 C PRO A 9 -10.482 -10.701 7.678 1.00 0.00 C ATOM 72 O PRO A 9 -10.746 -10.997 8.842 1.00 0.00 O ATOM 73 CB PRO A 9 -12.018 -9.041 6.515 1.00 0.00 C ATOM 74 CG PRO A 9 -13.318 -8.901 7.289 1.00 0.00 C ATOM 75 CD PRO A 9 -13.841 -10.298 7.578 1.00 0.00 C ATOM 0 HA PRO A 9 -11.192 -10.873 5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.253 -8.375 6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.157 -8.775 5.467 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.152 -8.356 8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.047 -8.332 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.998 -10.449 8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.799 -10.472 7.087 1.00 0.00 H new ATOM 80 N LYS A 10 -9.256 -10.535 7.205 1.00 0.00 N ATOM 81 CA LYS A 10 -8.094 -10.696 8.063 1.00 0.00 C ATOM 82 C LYS A 10 -7.665 -9.330 8.598 1.00 0.00 C ATOM 83 O LYS A 10 -7.677 -8.341 7.867 1.00 0.00 O ATOM 84 CB LYS A 10 -6.983 -11.445 7.325 1.00 0.00 C ATOM 85 CG LYS A 10 -5.625 -11.202 7.986 1.00 0.00 C ATOM 86 CD LYS A 10 -5.517 -11.961 9.310 1.00 0.00 C ATOM 87 CE LYS A 10 -4.103 -12.505 9.519 1.00 0.00 C ATOM 88 NZ LYS A 10 -4.082 -13.481 10.631 1.00 0.00 N ATOM 0 H LYS A 10 -9.042 -10.291 6.238 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.342 -11.312 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.202 -12.513 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.949 -11.120 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.827 -11.520 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.488 -10.135 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.781 -11.299 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.232 -12.784 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.751 -12.980 8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.419 -11.684 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.115 -13.840 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.398 -13.017 11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.719 -14.273 10.410 1.00 0.00 H new ATOM 98 N THR A 11 -7.295 -9.317 9.871 1.00 0.00 N ATOM 99 CA THR A 11 -6.863 -8.087 10.512 1.00 0.00 C ATOM 100 C THR A 11 -5.474 -8.267 11.129 1.00 0.00 C ATOM 101 O THR A 11 -5.153 -9.337 11.644 1.00 0.00 O ATOM 102 CB THR A 11 -7.932 -7.684 11.530 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.073 -7.382 10.732 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.606 -6.362 12.228 1.00 0.00 C ATOM 0 H THR A 11 -7.286 -10.139 10.475 1.00 0.00 H new ATOM 0 HA THR A 11 -6.761 -7.278 9.788 1.00 0.00 H new ATOM 0 HB THR A 11 -8.039 -8.472 12.276 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.816 -7.112 11.312 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.396 -6.122 12.940 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.657 -6.454 12.756 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.533 -5.567 11.486 1.00 0.00 H new ATOM 112 N VAL A 12 -4.687 -7.203 11.055 1.00 0.00 N ATOM 113 CA VAL A 12 -3.341 -7.231 11.600 1.00 0.00 C ATOM 114 C VAL A 12 -3.001 -5.855 12.177 1.00 0.00 C ATOM 115 O VAL A 12 -3.076 -4.848 11.474 1.00 0.00 O ATOM 116 CB VAL A 12 -2.352 -7.690 10.527 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.126 -9.201 10.601 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.823 -7.272 9.133 1.00 0.00 C ATOM 0 H VAL A 12 -4.956 -6.317 10.626 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.273 -7.951 12.415 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.398 -7.200 10.718 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.419 -9.501 9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.725 -9.461 11.580 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.073 -9.718 10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.102 -7.610 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.795 -7.721 8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.908 -6.186 9.088 1.00 0.00 H new ATOM 128 N THR A 13 -2.635 -5.856 13.450 1.00 0.00 N ATOM 129 CA THR A 13 -2.283 -4.620 14.130 1.00 0.00 C ATOM 130 C THR A 13 -0.768 -4.410 14.103 1.00 0.00 C ATOM 131 O THR A 13 -0.008 -5.364 13.948 1.00 0.00 O ATOM 132 CB THR A 13 -2.865 -4.677 15.544 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.231 -5.025 15.345 1.00 0.00 O ATOM 134 CG2 THR A 13 -2.922 -3.300 16.209 1.00 0.00 C ATOM 0 H THR A 13 -2.574 -6.693 14.029 1.00 0.00 H new ATOM 0 HA THR A 13 -2.708 -3.754 13.623 1.00 0.00 H new ATOM 0 HB THR A 13 -2.265 -5.351 16.156 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.683 -5.085 16.212 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.343 -3.396 17.210 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.916 -2.887 16.277 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.548 -2.635 15.615 1.00 0.00 H new ATOM 142 N LEU A 14 -0.375 -3.154 14.256 1.00 0.00 N ATOM 143 CA LEU A 14 1.035 -2.806 14.251 1.00 0.00 C ATOM 144 C LEU A 14 1.293 -1.724 15.301 1.00 0.00 C ATOM 145 O LEU A 14 0.379 -0.995 15.684 1.00 0.00 O ATOM 146 CB LEU A 14 1.486 -2.414 12.842 1.00 0.00 C ATOM 147 CG LEU A 14 1.430 -3.521 11.788 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.041 -3.604 11.152 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.529 -3.337 10.740 1.00 0.00 C ATOM 0 H LEU A 14 -1.009 -2.365 14.384 1.00 0.00 H new ATOM 0 HA LEU A 14 1.640 -3.670 14.526 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.867 -1.584 12.502 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.510 -2.045 12.899 1.00 0.00 H new ATOM 0 HG LEU A 14 1.614 -4.474 12.285 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.029 -4.399 10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.700 -3.818 11.922 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.197 -2.654 10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.466 -4.137 10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.401 -2.375 10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.504 -3.367 11.226 1.00 0.00 H new ATOM 160 N LYS A 15 2.542 -1.653 15.738 1.00 0.00 N ATOM 161 CA LYS A 15 2.931 -0.671 16.736 1.00 0.00 C ATOM 162 C LYS A 15 4.184 0.065 16.261 1.00 0.00 C ATOM 163 O LYS A 15 5.238 -0.543 16.088 1.00 0.00 O ATOM 164 CB LYS A 15 3.092 -1.336 18.106 1.00 0.00 C ATOM 165 CG LYS A 15 1.741 -1.807 18.649 1.00 0.00 C ATOM 166 CD LYS A 15 1.440 -1.166 20.005 1.00 0.00 C ATOM 167 CE LYS A 15 0.582 -2.090 20.871 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.586 -2.580 20.106 1.00 0.00 N ATOM 0 H LYS A 15 3.298 -2.260 15.419 1.00 0.00 H new ATOM 0 HA LYS A 15 2.148 0.078 16.859 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.771 -2.185 18.025 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.544 -0.632 18.805 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.952 -1.554 17.940 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.744 -2.892 18.749 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.374 -0.942 20.521 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.923 -0.218 19.856 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.179 -2.934 21.215 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.244 -1.556 21.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.291 -2.973 20.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.009 -1.792 19.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.280 -3.320 19.442 1.00 0.00 H new ATOM 178 N ARG A 16 4.027 1.366 16.062 1.00 0.00 N ATOM 179 CA ARG A 16 5.133 2.192 15.610 1.00 0.00 C ATOM 180 C ARG A 16 6.396 1.877 16.413 1.00 0.00 C ATOM 181 O ARG A 16 6.452 2.138 17.614 1.00 0.00 O ATOM 182 CB ARG A 16 4.803 3.680 15.752 1.00 0.00 C ATOM 183 CG ARG A 16 5.984 4.547 15.313 1.00 0.00 C ATOM 184 CD ARG A 16 5.523 5.675 14.389 1.00 0.00 C ATOM 185 NE ARG A 16 6.653 6.586 14.098 1.00 0.00 N ATOM 186 CZ ARG A 16 7.181 7.435 14.990 1.00 0.00 C ATOM 187 NH1 ARG A 16 6.686 7.497 16.232 1.00 0.00 N ATOM 188 NH2 ARG A 16 8.206 8.225 14.636 1.00 0.00 N ATOM 0 H ARG A 16 3.151 1.868 16.206 1.00 0.00 H new ATOM 0 HA ARG A 16 5.304 1.968 14.557 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.927 3.921 15.150 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.549 3.903 16.788 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.476 4.968 16.190 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.721 3.930 14.800 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.133 5.259 13.460 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.709 6.230 14.857 1.00 0.00 H new ATOM 0 HE ARG A 16 7.054 6.566 13.161 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.906 6.897 16.501 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.089 8.144 16.910 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.582 8.179 13.689 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.609 8.872 15.314 1.00 0.00 H new ATOM 264 N GLY A 22 7.322 -1.849 10.216 1.00 0.00 N ATOM 265 CA GLY A 22 8.096 -3.000 9.788 1.00 0.00 C ATOM 266 C GLY A 22 7.910 -3.259 8.291 1.00 0.00 C ATOM 267 O GLY A 22 8.714 -2.810 7.476 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.151 -2.834 10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.790 -3.880 10.354 1.00 0.00 H new ATOM 271 N PHE A 23 6.847 -3.984 7.975 1.00 0.00 N ATOM 272 CA PHE A 23 6.546 -4.308 6.591 1.00 0.00 C ATOM 273 C PHE A 23 6.668 -3.070 5.699 1.00 0.00 C ATOM 274 O PHE A 23 6.795 -1.953 6.196 1.00 0.00 O ATOM 275 CB PHE A 23 5.101 -4.809 6.552 1.00 0.00 C ATOM 276 CG PHE A 23 4.055 -3.692 6.528 1.00 0.00 C ATOM 277 CD1 PHE A 23 3.886 -2.895 7.617 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.295 -3.495 5.418 1.00 0.00 C ATOM 279 CE1 PHE A 23 2.916 -1.858 7.595 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.326 -2.459 5.394 1.00 0.00 C ATOM 281 CZ PHE A 23 2.156 -1.662 6.484 1.00 0.00 C ATOM 0 H PHE A 23 6.183 -4.356 8.654 1.00 0.00 H new ATOM 0 HA PHE A 23 7.247 -5.058 6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.968 -5.436 5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.923 -5.441 7.422 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.490 -3.051 8.499 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.429 -4.128 4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.782 -1.225 8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.724 -2.303 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.418 -0.874 6.467 1.00 0.00 H new ATOM 290 N THR A 24 6.627 -3.313 4.397 1.00 0.00 N ATOM 291 CA THR A 24 6.731 -2.233 3.431 1.00 0.00 C ATOM 292 C THR A 24 6.094 -2.643 2.102 1.00 0.00 C ATOM 293 O THR A 24 5.987 -3.830 1.801 1.00 0.00 O ATOM 294 CB THR A 24 8.208 -1.852 3.306 1.00 0.00 C ATOM 295 OG1 THR A 24 8.217 -0.821 2.322 1.00 0.00 O ATOM 296 CG2 THR A 24 9.049 -2.968 2.686 1.00 0.00 C ATOM 0 H THR A 24 6.523 -4.242 3.989 1.00 0.00 H new ATOM 0 HA THR A 24 6.180 -1.352 3.761 1.00 0.00 H new ATOM 0 HB THR A 24 8.605 -1.604 4.291 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.136 -0.513 2.179 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.088 -2.646 2.620 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.984 -3.861 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.675 -3.194 1.687 1.00 0.00 H new ATOM 304 N LEU A 25 5.689 -1.635 1.342 1.00 0.00 N ATOM 305 CA LEU A 25 5.065 -1.876 0.051 1.00 0.00 C ATOM 306 C LEU A 25 6.025 -1.453 -1.061 1.00 0.00 C ATOM 307 O LEU A 25 7.043 -0.815 -0.797 1.00 0.00 O ATOM 308 CB LEU A 25 3.699 -1.189 -0.020 1.00 0.00 C ATOM 309 CG LEU A 25 2.876 -1.196 1.271 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.809 -2.601 1.869 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.417 -0.172 2.270 1.00 0.00 C ATOM 0 H LEU A 25 5.781 -0.651 1.595 1.00 0.00 H new ATOM 0 HA LEU A 25 4.868 -2.939 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.851 -0.154 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.113 -1.670 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 25 1.855 -0.901 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.219 -2.579 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.343 -3.279 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.817 -2.949 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.815 -0.197 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.452 -0.413 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.370 0.825 1.831 1.00 0.00 H new ATOM 322 N ARG A 26 5.667 -1.824 -2.282 1.00 0.00 N ATOM 323 CA ARG A 26 6.485 -1.490 -3.436 1.00 0.00 C ATOM 324 C ARG A 26 5.631 -1.480 -4.705 1.00 0.00 C ATOM 325 O ARG A 26 4.447 -1.807 -4.663 1.00 0.00 O ATOM 326 CB ARG A 26 7.630 -2.490 -3.605 1.00 0.00 C ATOM 327 CG ARG A 26 8.969 -1.767 -3.762 1.00 0.00 C ATOM 328 CD ARG A 26 9.689 -2.216 -5.037 1.00 0.00 C ATOM 329 NE ARG A 26 11.151 -2.242 -4.810 1.00 0.00 N ATOM 330 CZ ARG A 26 12.017 -2.920 -5.574 1.00 0.00 C ATOM 331 NH1 ARG A 26 11.575 -3.631 -6.621 1.00 0.00 N ATOM 332 NH2 ARG A 26 13.327 -2.887 -5.294 1.00 0.00 N ATOM 0 H ARG A 26 4.822 -2.353 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 26 6.906 -0.498 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.669 -3.153 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.446 -3.116 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.803 -0.690 -3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.598 -1.967 -2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.341 -3.206 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.452 -1.538 -5.857 1.00 0.00 H new ATOM 0 HE ARG A 26 11.522 -1.710 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.578 -3.656 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.235 -4.147 -7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.665 -2.345 -4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.986 -3.404 -5.876 1.00 0.00 H new ATOM 862 N ILE A 63 -2.116 -2.768 -3.599 1.00 0.00 N ATOM 863 CA ILE A 63 -1.142 -2.598 -2.534 1.00 0.00 C ATOM 864 C ILE A 63 -0.747 -3.971 -1.985 1.00 0.00 C ATOM 865 O ILE A 63 -1.480 -4.560 -1.193 1.00 0.00 O ATOM 866 CB ILE A 63 -1.676 -1.639 -1.468 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.813 -0.221 -2.024 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.806 -1.680 -0.209 1.00 0.00 C ATOM 869 CD1 ILE A 63 -3.281 0.209 -2.074 1.00 0.00 C ATOM 0 HA ILE A 63 -0.233 -2.136 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.674 -1.969 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.248 0.473 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.383 -0.176 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.207 -0.990 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.804 -2.691 0.199 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.214 -1.389 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.350 1.221 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.838 -0.473 -2.716 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.701 0.186 -1.069 1.00 0.00 H new ATOM 880 N PHE A 64 0.410 -4.440 -2.429 1.00 0.00 N ATOM 881 CA PHE A 64 0.911 -5.732 -1.992 1.00 0.00 C ATOM 882 C PHE A 64 2.121 -5.568 -1.072 1.00 0.00 C ATOM 883 O PHE A 64 2.801 -4.543 -1.111 1.00 0.00 O ATOM 884 CB PHE A 64 1.338 -6.493 -3.248 1.00 0.00 C ATOM 885 CG PHE A 64 0.318 -7.528 -3.727 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.817 -7.124 -4.356 1.00 0.00 C ATOM 887 CD2 PHE A 64 0.546 -8.853 -3.520 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.763 -8.085 -4.800 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.401 -9.814 -3.963 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.536 -9.409 -4.595 1.00 0.00 C ATOM 0 H PHE A 64 1.015 -3.948 -3.087 1.00 0.00 H new ATOM 0 HA PHE A 64 0.138 -6.264 -1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.518 -5.777 -4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.285 -6.996 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.999 -6.072 -4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.447 -9.174 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.664 -7.763 -5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.220 -10.866 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.256 -10.139 -4.933 1.00 0.00 H new ATOM 899 N VAL A 65 2.356 -6.593 -0.266 1.00 0.00 N ATOM 900 CA VAL A 65 3.474 -6.575 0.662 1.00 0.00 C ATOM 901 C VAL A 65 4.761 -6.917 -0.090 1.00 0.00 C ATOM 902 O VAL A 65 4.734 -7.665 -1.067 1.00 0.00 O ATOM 903 CB VAL A 65 3.196 -7.522 1.833 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.414 -7.628 2.753 1.00 0.00 C ATOM 905 CG2 VAL A 65 1.956 -7.079 2.614 1.00 0.00 C ATOM 0 H VAL A 65 1.791 -7.442 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 65 3.601 -5.580 1.088 1.00 0.00 H new ATOM 0 HB VAL A 65 2.998 -8.512 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.190 -8.306 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.264 -8.011 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.656 -6.643 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.781 -7.768 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.113 -6.074 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.090 -7.078 1.952 1.00 0.00 H new ATOM 915 N LYS A 66 5.858 -6.353 0.394 1.00 0.00 N ATOM 916 CA LYS A 66 7.154 -6.588 -0.222 1.00 0.00 C ATOM 917 C LYS A 66 8.031 -7.391 0.741 1.00 0.00 C ATOM 918 O LYS A 66 8.395 -8.530 0.451 1.00 0.00 O ATOM 919 CB LYS A 66 7.782 -5.267 -0.669 1.00 0.00 C ATOM 920 CG LYS A 66 9.221 -5.477 -1.144 1.00 0.00 C ATOM 921 CD LYS A 66 10.177 -4.511 -0.443 1.00 0.00 C ATOM 922 CE LYS A 66 11.634 -4.861 -0.751 1.00 0.00 C ATOM 923 NZ LYS A 66 12.490 -4.600 0.428 1.00 0.00 N ATOM 0 H LYS A 66 5.877 -5.734 1.205 1.00 0.00 H new ATOM 0 HA LYS A 66 7.044 -7.184 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.189 -4.832 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.768 -4.556 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.527 -6.504 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.277 -5.330 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.969 -3.490 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.011 -4.546 0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.709 -5.910 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.984 -4.273 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.991 -3.698 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.899 -4.550 1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.182 -5.369 0.531 1.00 0.00 H new ATOM 933 N GLN A 67 8.345 -6.768 1.867 1.00 0.00 N ATOM 934 CA GLN A 67 9.173 -7.409 2.873 1.00 0.00 C ATOM 935 C GLN A 67 8.590 -7.177 4.268 1.00 0.00 C ATOM 936 O GLN A 67 7.765 -6.284 4.460 1.00 0.00 O ATOM 937 CB GLN A 67 10.618 -6.914 2.793 1.00 0.00 C ATOM 938 CG GLN A 67 11.455 -7.807 1.874 1.00 0.00 C ATOM 939 CD GLN A 67 12.724 -8.285 2.582 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.702 -8.738 3.714 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.829 -8.159 1.853 1.00 0.00 N ATOM 0 H GLN A 67 8.040 -5.824 2.105 1.00 0.00 H new ATOM 0 HA GLN A 67 9.181 -8.481 2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.635 -5.889 2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.057 -6.900 3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.864 -8.667 1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.723 -7.257 0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.777 -7.771 0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.729 -8.450 2.236 1.00 0.00 H new ATOM 948 N VAL A 68 9.043 -7.993 5.208 1.00 0.00 N ATOM 949 CA VAL A 68 8.576 -7.887 6.580 1.00 0.00 C ATOM 950 C VAL A 68 9.777 -7.905 7.526 1.00 0.00 C ATOM 951 O VAL A 68 10.551 -8.862 7.535 1.00 0.00 O ATOM 952 CB VAL A 68 7.565 -8.997 6.876 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.282 -9.094 8.377 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.272 -8.788 6.087 1.00 0.00 C ATOM 0 H VAL A 68 9.729 -8.731 5.047 1.00 0.00 H new ATOM 0 HA VAL A 68 8.055 -6.942 6.734 1.00 0.00 H new ATOM 0 HB VAL A 68 8.003 -9.942 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.561 -9.890 8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.208 -9.314 8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.876 -8.147 8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.572 -9.591 6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.829 -7.831 6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.492 -8.793 5.020 1.00 0.00 H new ATOM 964 N LYS A 69 9.899 -6.837 8.298 1.00 0.00 N ATOM 965 CA LYS A 69 10.994 -6.716 9.244 1.00 0.00 C ATOM 966 C LYS A 69 11.001 -7.938 10.167 1.00 0.00 C ATOM 967 O LYS A 69 10.052 -8.161 10.915 1.00 0.00 O ATOM 968 CB LYS A 69 10.913 -5.384 9.992 1.00 0.00 C ATOM 969 CG LYS A 69 12.308 -4.801 10.226 1.00 0.00 C ATOM 970 CD LYS A 69 12.231 -3.307 10.552 1.00 0.00 C ATOM 971 CE LYS A 69 13.629 -2.716 10.744 1.00 0.00 C ATOM 972 NZ LYS A 69 13.811 -1.526 9.882 1.00 0.00 N ATOM 0 H LYS A 69 9.256 -6.045 8.288 1.00 0.00 H new ATOM 0 HA LYS A 69 11.950 -6.703 8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.311 -4.678 9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.411 -5.530 10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.795 -5.331 11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.923 -4.952 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.717 -2.781 9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.642 -3.158 11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.774 -2.441 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.383 -3.465 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.765 -1.137 10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.693 -1.798 8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.103 -0.806 10.130 1.00 0.00 H new ATOM 982 N GLU A 70 12.083 -8.698 10.079 1.00 0.00 N ATOM 983 CA GLU A 70 12.228 -9.892 10.894 1.00 0.00 C ATOM 984 C GLU A 70 12.452 -9.510 12.359 1.00 0.00 C ATOM 985 O GLU A 70 13.587 -9.300 12.782 1.00 0.00 O ATOM 986 CB GLU A 70 13.365 -10.775 10.377 1.00 0.00 C ATOM 987 CG GLU A 70 13.178 -12.226 10.826 1.00 0.00 C ATOM 988 CD GLU A 70 13.660 -13.198 9.747 1.00 0.00 C ATOM 989 OE1 GLU A 70 12.891 -13.406 8.783 1.00 0.00 O ATOM 990 OE2 GLU A 70 14.788 -13.714 9.909 1.00 0.00 O ATOM 0 H GLU A 70 12.868 -8.510 9.455 1.00 0.00 H new ATOM 0 HA GLU A 70 11.306 -10.469 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.400 -10.729 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.320 -10.397 10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.730 -12.399 11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.126 -12.411 11.044 1.00 0.00 H new ATOM 995 N GLY A 71 11.351 -9.431 13.093 1.00 0.00 N ATOM 996 CA GLY A 71 11.412 -9.078 14.500 1.00 0.00 C ATOM 997 C GLY A 71 10.837 -7.682 14.741 1.00 0.00 C ATOM 998 O GLY A 71 11.302 -6.958 15.621 1.00 0.00 O ATOM 0 H GLY A 71 10.411 -9.606 12.738 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.857 -9.810 15.086 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.446 -9.113 14.843 1.00 0.00 H new ATOM 1002 N GLY A 72 9.832 -7.345 13.946 1.00 0.00 N ATOM 1003 CA GLY A 72 9.187 -6.049 14.062 1.00 0.00 C ATOM 1004 C GLY A 72 7.707 -6.203 14.419 1.00 0.00 C ATOM 1005 O GLY A 72 7.307 -7.207 15.005 1.00 0.00 O ATOM 0 H GLY A 72 9.449 -7.948 13.218 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.689 -5.456 14.826 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.283 -5.505 13.122 1.00 0.00 H new ATOM 1009 N PRO A 73 6.914 -5.165 14.040 1.00 0.00 N ATOM 1010 CA PRO A 73 5.487 -5.175 14.314 1.00 0.00 C ATOM 1011 C PRO A 73 4.753 -6.126 13.366 1.00 0.00 C ATOM 1012 O PRO A 73 4.236 -7.156 13.793 1.00 0.00 O ATOM 1013 CB PRO A 73 5.047 -3.727 14.161 1.00 0.00 C ATOM 1014 CG PRO A 73 6.141 -3.042 13.358 1.00 0.00 C ATOM 1015 CD PRO A 73 7.353 -3.958 13.344 1.00 0.00 C ATOM 0 HA PRO A 73 5.253 -5.546 15.312 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.087 -3.662 13.648 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.921 -3.252 15.134 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.801 -2.844 12.342 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.395 -2.080 13.803 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.669 -4.181 12.325 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.203 -3.498 13.847 1.00 0.00 H new ATOM 1020 N ALA A 74 4.732 -5.745 12.097 1.00 0.00 N ATOM 1021 CA ALA A 74 4.071 -6.552 11.085 1.00 0.00 C ATOM 1022 C ALA A 74 4.382 -8.029 11.334 1.00 0.00 C ATOM 1023 O ALA A 74 3.475 -8.858 11.381 1.00 0.00 O ATOM 1024 CB ALA A 74 4.510 -6.088 9.695 1.00 0.00 C ATOM 0 H ALA A 74 5.162 -4.889 11.747 1.00 0.00 H new ATOM 0 HA ALA A 74 2.989 -6.430 11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.014 -6.693 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.239 -5.041 9.558 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.590 -6.199 9.599 1.00 0.00 H new ATOM 1030 N PHE A 75 5.667 -8.314 11.486 1.00 0.00 N ATOM 1031 CA PHE A 75 6.109 -9.677 11.727 1.00 0.00 C ATOM 1032 C PHE A 75 5.263 -10.342 12.815 1.00 0.00 C ATOM 1033 O PHE A 75 4.830 -11.482 12.658 1.00 0.00 O ATOM 1034 CB PHE A 75 7.560 -9.598 12.203 1.00 0.00 C ATOM 1035 CG PHE A 75 8.083 -10.894 12.826 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.117 -12.037 12.089 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.513 -10.905 14.116 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.601 -13.240 12.666 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.996 -12.108 14.694 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.031 -13.251 13.957 1.00 0.00 C ATOM 0 H PHE A 75 6.417 -7.624 11.447 1.00 0.00 H new ATOM 0 HA PHE A 75 6.011 -10.268 10.816 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.195 -9.331 11.358 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.648 -8.794 12.934 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.776 -12.029 11.064 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.487 -9.998 14.701 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.628 -14.147 12.080 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.336 -12.116 15.719 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.400 -14.166 14.396 1.00 0.00 H new ATOM 1049 N GLU A 76 5.055 -9.602 13.893 1.00 0.00 N ATOM 1050 CA GLU A 76 4.268 -10.106 15.005 1.00 0.00 C ATOM 1051 C GLU A 76 2.794 -10.215 14.608 1.00 0.00 C ATOM 1052 O GLU A 76 2.185 -11.273 14.758 1.00 0.00 O ATOM 1053 CB GLU A 76 4.439 -9.222 16.244 1.00 0.00 C ATOM 1054 CG GLU A 76 5.915 -9.095 16.626 1.00 0.00 C ATOM 1055 CD GLU A 76 6.199 -9.805 17.952 1.00 0.00 C ATOM 1056 OE1 GLU A 76 5.349 -9.677 18.858 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.263 -10.457 18.028 1.00 0.00 O ATOM 0 H GLU A 76 5.418 -8.657 14.020 1.00 0.00 H new ATOM 0 HA GLU A 76 4.630 -11.103 15.257 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.023 -8.233 16.050 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.879 -9.645 17.078 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.536 -9.523 15.839 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.184 -8.042 16.708 1.00 0.00 H new ATOM 1062 N ALA A 77 2.266 -9.107 14.111 1.00 0.00 N ATOM 1063 CA ALA A 77 0.875 -9.064 13.691 1.00 0.00 C ATOM 1064 C ALA A 77 0.524 -10.369 12.972 1.00 0.00 C ATOM 1065 O ALA A 77 -0.623 -10.811 13.008 1.00 0.00 O ATOM 1066 CB ALA A 77 0.644 -7.833 12.813 1.00 0.00 C ATOM 0 H ALA A 77 2.776 -8.232 13.989 1.00 0.00 H new ATOM 0 HA ALA A 77 0.216 -8.976 14.554 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.399 -7.801 12.498 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.880 -6.932 13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.287 -7.887 11.934 1.00 0.00 H new ATOM 1072 N GLY A 78 1.533 -10.946 12.336 1.00 0.00 N ATOM 1073 CA GLY A 78 1.345 -12.190 11.610 1.00 0.00 C ATOM 1074 C GLY A 78 1.452 -11.965 10.099 1.00 0.00 C ATOM 1075 O GLY A 78 1.249 -12.890 9.315 1.00 0.00 O ATOM 0 H GLY A 78 2.483 -10.575 12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.093 -12.917 11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.369 -12.612 11.850 1.00 0.00 H new ATOM 1079 N LEU A 79 1.770 -10.730 9.740 1.00 0.00 N ATOM 1080 CA LEU A 79 1.907 -10.371 8.337 1.00 0.00 C ATOM 1081 C LEU A 79 2.915 -11.310 7.672 1.00 0.00 C ATOM 1082 O LEU A 79 3.433 -12.224 8.311 1.00 0.00 O ATOM 1083 CB LEU A 79 2.259 -8.889 8.196 1.00 0.00 C ATOM 1084 CG LEU A 79 1.487 -8.115 7.127 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.038 -7.879 7.560 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.200 -6.808 6.773 1.00 0.00 C ATOM 0 H LEU A 79 1.937 -9.966 10.395 1.00 0.00 H new ATOM 0 HA LEU A 79 0.959 -10.500 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.094 -8.404 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.324 -8.808 7.977 1.00 0.00 H new ATOM 0 HG LEU A 79 1.458 -8.721 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.489 -7.327 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.454 -8.838 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.024 -7.304 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.630 -6.277 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.282 -6.185 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.197 -7.029 6.392 1.00 0.00 H new ATOM 1097 N CYS A 80 3.162 -11.053 6.396 1.00 0.00 N ATOM 1098 CA CYS A 80 4.098 -11.863 5.635 1.00 0.00 C ATOM 1099 C CYS A 80 4.304 -11.206 4.270 1.00 0.00 C ATOM 1100 O CYS A 80 3.952 -10.043 4.077 1.00 0.00 O ATOM 1101 CB CYS A 80 3.619 -13.310 5.507 1.00 0.00 C ATOM 1102 SG CYS A 80 5.008 -14.460 5.813 1.00 0.00 S ATOM 0 H CYS A 80 2.729 -10.294 5.869 1.00 0.00 H new ATOM 0 HA CYS A 80 5.052 -11.911 6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.816 -13.500 6.219 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.209 -13.479 4.511 1.00 0.00 H new ATOM 0 HG CYS A 80 4.589 -15.686 5.704 1.00 0.00 H new ATOM 1107 N THR A 81 4.874 -11.979 3.357 1.00 0.00 N ATOM 1108 CA THR A 81 5.131 -11.486 2.014 1.00 0.00 C ATOM 1109 C THR A 81 4.107 -12.057 1.031 1.00 0.00 C ATOM 1110 O THR A 81 3.836 -13.257 1.041 1.00 0.00 O ATOM 1111 CB THR A 81 6.578 -11.828 1.654 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.792 -13.103 2.254 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.587 -10.914 2.350 1.00 0.00 C ATOM 0 H THR A 81 5.165 -12.943 3.521 1.00 0.00 H new ATOM 0 HA THR A 81 5.016 -10.403 1.961 1.00 0.00 H new ATOM 0 HB THR A 81 6.710 -11.757 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.707 -13.402 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.598 -11.200 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.404 -9.880 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.479 -11.009 3.430 1.00 0.00 H new ATOM 1121 N GLY A 82 3.568 -11.173 0.207 1.00 0.00 N ATOM 1122 CA GLY A 82 2.580 -11.574 -0.782 1.00 0.00 C ATOM 1123 C GLY A 82 1.201 -11.011 -0.437 1.00 0.00 C ATOM 1124 O GLY A 82 0.414 -10.696 -1.329 1.00 0.00 O ATOM 0 H GLY A 82 3.796 -10.179 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.884 -11.223 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.531 -12.662 -0.832 1.00 0.00 H new ATOM 1128 N ASP A 83 0.947 -10.901 0.859 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.324 -10.382 1.332 1.00 0.00 C ATOM 1130 C ASP A 83 -0.505 -8.950 0.827 1.00 0.00 C ATOM 1131 O ASP A 83 0.473 -8.247 0.579 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.373 -10.354 2.862 1.00 0.00 C ATOM 1133 CG ASP A 83 -0.608 -11.712 3.527 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -1.488 -12.444 3.026 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.099 -11.985 4.521 1.00 0.00 O ATOM 0 H ASP A 83 1.601 -11.163 1.596 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.114 -11.033 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.566 -9.942 3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.165 -9.672 3.173 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.763 -8.560 0.689 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.085 -7.223 0.216 1.00 0.00 C ATOM 1141 C ARG A 84 -3.001 -6.514 1.215 1.00 0.00 C ATOM 1142 O ARG A 84 -3.865 -7.143 1.826 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.771 -7.272 -1.149 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.065 -8.089 -1.086 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.109 -9.132 -2.204 1.00 0.00 C ATOM 1146 NE ARG A 84 -5.514 -9.413 -2.578 1.00 0.00 N ATOM 1147 CZ ARG A 84 -5.915 -10.525 -3.207 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.022 -11.469 -3.537 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -7.210 -10.695 -3.506 1.00 0.00 N ATOM 0 H ARG A 84 -2.572 -9.146 0.896 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.150 -6.671 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.993 -6.259 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.096 -7.711 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.140 -8.585 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.924 -7.423 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.558 -8.770 -3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.621 -10.050 -1.876 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.220 -8.716 -2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.036 -11.340 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.328 -12.316 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.890 -9.977 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.516 -11.542 -3.985 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.784 -5.214 1.350 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.580 -4.413 2.263 1.00 0.00 C ATOM 1162 C ILE A 85 -4.897 -4.030 1.585 1.00 0.00 C ATOM 1163 O ILE A 85 -4.896 -3.365 0.551 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.775 -3.211 2.763 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.871 -3.607 3.934 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.696 -2.044 3.120 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.174 -4.942 3.663 1.00 0.00 C ATOM 0 H ILE A 85 -2.068 -4.696 0.842 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.834 -4.990 3.152 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.127 -2.873 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.125 -2.830 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.463 -3.681 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.098 -1.203 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.261 -1.743 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.387 -2.352 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.538 -5.199 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.923 -5.721 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.563 -4.858 2.764 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.990 -4.468 2.196 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.309 -4.180 1.664 1.00 0.00 C ATOM 1180 C ILE A 86 -7.902 -2.980 2.403 1.00 0.00 C ATOM 1181 O ILE A 86 -8.606 -2.165 1.809 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.192 -5.430 1.713 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.396 -5.898 3.155 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.623 -6.538 0.826 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.440 -7.015 3.225 1.00 0.00 C ATOM 0 H ILE A 86 -5.987 -5.020 3.054 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.243 -3.905 0.611 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.173 -5.172 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.450 -6.253 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.714 -5.058 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.269 -7.414 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.570 -6.188 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.623 -6.803 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.567 -7.330 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.391 -6.649 2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.107 -7.863 2.626 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.596 -2.907 3.690 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.089 -1.819 4.518 1.00 0.00 C ATOM 1198 C LYS A 87 -6.937 -1.257 5.353 1.00 0.00 C ATOM 1199 O LYS A 87 -5.912 -1.915 5.528 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.285 -2.280 5.352 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.495 -2.568 4.462 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.002 -3.997 4.669 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.538 -4.584 3.362 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.580 -5.598 3.638 1.00 0.00 N ATOM 0 H LYS A 87 -7.012 -3.584 4.180 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.459 -1.004 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.019 -3.177 5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.541 -1.513 6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.292 -1.860 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.224 -2.423 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.193 -4.622 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.789 -4.002 5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.951 -3.789 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.722 -5.036 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.933 -5.986 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.175 -6.365 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.366 -5.156 4.157 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.143 -0.045 5.847 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.134 0.613 6.659 1.00 0.00 C ATOM 1216 C VAL A 88 -6.813 1.616 7.595 1.00 0.00 C ATOM 1217 O VAL A 88 -7.194 2.706 7.172 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.077 1.258 5.760 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.211 2.241 6.551 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.214 0.194 5.080 1.00 0.00 C ATOM 0 H VAL A 88 -7.994 0.498 5.701 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.613 -0.114 7.282 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.595 1.818 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.468 2.685 5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.841 3.026 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.706 1.712 7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.471 0.679 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.710 -0.405 5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.846 -0.451 4.469 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.945 1.210 8.850 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.571 2.058 9.849 1.00 0.00 C ATOM 1232 C ASN A 89 -9.060 2.205 9.527 1.00 0.00 C ATOM 1233 O ASN A 89 -9.506 3.271 9.105 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.949 3.456 9.853 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.421 3.375 9.842 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.818 2.446 10.353 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.830 4.399 9.233 1.00 0.00 N ATOM 0 H ASN A 89 -6.629 0.305 9.197 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.424 1.594 10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.294 4.014 8.982 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.282 4.004 10.735 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.813 4.439 9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.394 5.145 8.826 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.788 1.117 9.736 1.00 0.00 N ATOM 1244 CA GLY A 90 -11.217 1.111 9.472 1.00 0.00 C ATOM 1245 C GLY A 90 -11.530 1.788 8.136 1.00 0.00 C ATOM 1246 O GLY A 90 -12.634 2.294 7.937 1.00 0.00 O ATOM 0 H GLY A 90 -9.415 0.234 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.584 0.085 9.459 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.741 1.626 10.277 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.540 1.774 7.255 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.698 2.381 5.944 1.00 0.00 C ATOM 1252 C GLU A 91 -10.493 1.333 4.847 1.00 0.00 C ATOM 1253 O GLU A 91 -9.487 0.624 4.841 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.737 3.557 5.764 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.503 4.864 5.552 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.607 4.688 4.506 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.256 4.677 3.306 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -12.777 4.566 4.930 1.00 0.00 O ATOM 0 H GLU A 91 -9.627 1.352 7.423 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.713 2.769 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.096 3.645 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.085 3.371 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.940 5.191 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.814 5.646 5.231 1.00 0.00 H new ATOM 1263 N SER A 92 -11.462 1.268 3.946 1.00 0.00 N ATOM 1264 CA SER A 92 -11.400 0.319 2.848 1.00 0.00 C ATOM 1265 C SER A 92 -10.723 0.965 1.636 1.00 0.00 C ATOM 1266 O SER A 92 -11.030 0.627 0.495 1.00 0.00 O ATOM 1267 CB SER A 92 -12.796 -0.178 2.471 1.00 0.00 C ATOM 1268 OG SER A 92 -13.167 -1.338 3.211 1.00 0.00 O ATOM 0 H SER A 92 -12.295 1.857 3.954 1.00 0.00 H new ATOM 0 HA SER A 92 -10.812 -0.540 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.523 0.614 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.825 -0.403 1.405 1.00 0.00 H new ATOM 0 HG SER A 92 -14.065 -1.624 2.943 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.810 1.881 1.927 1.00 0.00 N ATOM 1274 CA VAL A 93 -9.086 2.576 0.877 1.00 0.00 C ATOM 1275 C VAL A 93 -10.049 2.916 -0.262 1.00 0.00 C ATOM 1276 O VAL A 93 -9.654 2.948 -1.426 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.893 1.734 0.418 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.040 1.298 1.612 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -8.356 0.525 -0.396 1.00 0.00 C ATOM 0 H VAL A 93 -9.556 2.157 2.875 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.680 3.516 1.252 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.273 2.355 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.199 0.701 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.666 2.179 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.647 0.703 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.489 -0.056 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.008 -0.098 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.902 0.866 -1.276 1.00 0.00 H new ATOM 1289 N ILE A 94 -11.297 3.162 0.115 1.00 0.00 N ATOM 1290 CA ILE A 94 -12.320 3.498 -0.860 1.00 0.00 C ATOM 1291 C ILE A 94 -11.887 4.742 -1.639 1.00 0.00 C ATOM 1292 O ILE A 94 -12.041 5.864 -1.158 1.00 0.00 O ATOM 1293 CB ILE A 94 -13.682 3.641 -0.180 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -14.113 2.323 0.466 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -14.731 4.169 -1.160 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -14.307 1.232 -0.589 1.00 0.00 C ATOM 0 H ILE A 94 -11.621 3.135 1.082 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.435 2.692 -1.585 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.589 4.376 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -13.361 2.005 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -15.042 2.471 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -15.690 4.261 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.422 5.146 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -14.829 3.477 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.613 0.306 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -15.077 1.542 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.370 1.070 -1.121 1.00 0.00 H new ATOM 1307 N GLY A 95 -11.354 4.503 -2.827 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.898 5.590 -3.676 1.00 0.00 C ATOM 1309 C GLY A 95 -9.461 5.988 -3.334 1.00 0.00 C ATOM 1310 O GLY A 95 -8.642 6.200 -4.228 1.00 0.00 O ATOM 0 H GLY A 95 -11.227 3.571 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.956 5.288 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.556 6.451 -3.555 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.198 6.077 -2.038 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.874 6.446 -1.567 1.00 0.00 C ATOM 1316 C LYS A 96 -6.819 5.745 -2.424 1.00 0.00 C ATOM 1317 O LYS A 96 -6.825 4.520 -2.546 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.740 6.157 -0.070 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.639 7.084 0.750 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.251 7.058 2.229 1.00 0.00 C ATOM 1321 CE LYS A 96 -8.760 8.307 2.952 1.00 0.00 C ATOM 1322 NZ LYS A 96 -7.702 8.871 3.819 1.00 0.00 N ATOM 0 H LYS A 96 -9.879 5.900 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.715 7.519 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.005 5.119 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.702 6.286 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.562 8.102 0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.680 6.779 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.664 6.167 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.167 6.995 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.077 9.053 2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.635 8.056 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.931 8.679 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.789 8.433 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.642 9.898 3.670 1.00 0.00 H new ATOM 1332 N THR A 97 -5.937 6.551 -2.999 1.00 0.00 N ATOM 1333 CA THR A 97 -4.877 6.023 -3.841 1.00 0.00 C ATOM 1334 C THR A 97 -3.775 5.399 -2.984 1.00 0.00 C ATOM 1335 O THR A 97 -3.791 5.522 -1.761 1.00 0.00 O ATOM 1336 CB THR A 97 -4.380 7.158 -4.740 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.317 6.568 -5.485 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.704 8.278 -3.947 1.00 0.00 C ATOM 0 H THR A 97 -5.935 7.566 -2.898 1.00 0.00 H new ATOM 0 HA THR A 97 -5.242 5.218 -4.479 1.00 0.00 H new ATOM 0 HB THR A 97 -5.217 7.568 -5.306 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.937 7.233 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.370 9.058 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.414 8.700 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.846 7.876 -3.409 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.845 4.741 -3.662 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.738 4.097 -2.977 1.00 0.00 C ATOM 1348 C TYR A 98 -1.020 5.078 -2.049 1.00 0.00 C ATOM 1349 O TYR A 98 -0.518 4.689 -0.996 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.768 3.649 -4.073 1.00 0.00 C ATOM 1351 CG TYR A 98 0.064 2.420 -3.704 1.00 0.00 C ATOM 1352 CD1 TYR A 98 0.946 2.476 -2.644 1.00 0.00 C ATOM 1353 CD2 TYR A 98 -0.065 1.254 -4.431 1.00 0.00 C ATOM 1354 CE1 TYR A 98 1.729 1.319 -2.296 1.00 0.00 C ATOM 1355 CE2 TYR A 98 0.717 0.097 -4.084 1.00 0.00 C ATOM 1356 CZ TYR A 98 1.577 0.187 -3.033 1.00 0.00 C ATOM 1357 OH TYR A 98 2.317 -0.907 -2.706 1.00 0.00 O ATOM 0 H TYR A 98 -2.836 4.641 -4.677 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.095 3.267 -2.368 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.334 3.433 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.095 4.474 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.049 3.388 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.754 1.210 -5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.422 1.350 -1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.624 -0.821 -4.645 1.00 0.00 H new ATOM 0 HH TYR A 98 2.975 -1.080 -3.412 1.00 0.00 H new ATOM 1366 N SER A 99 -0.996 6.333 -2.471 1.00 0.00 N ATOM 1367 CA SER A 99 -0.349 7.374 -1.690 1.00 0.00 C ATOM 1368 C SER A 99 -1.232 7.764 -0.504 1.00 0.00 C ATOM 1369 O SER A 99 -0.730 8.049 0.581 1.00 0.00 O ATOM 1370 CB SER A 99 -0.048 8.602 -2.553 1.00 0.00 C ATOM 1371 OG SER A 99 1.247 9.135 -2.287 1.00 0.00 O ATOM 0 H SER A 99 -1.414 6.653 -3.344 1.00 0.00 H new ATOM 0 HA SER A 99 0.598 6.983 -1.317 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.120 8.332 -3.606 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.801 9.368 -2.369 1.00 0.00 H new ATOM 0 HG SER A 99 1.403 9.916 -2.858 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.535 7.763 -0.751 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.493 8.112 0.284 1.00 0.00 C ATOM 1378 C GLN A 100 -3.480 7.062 1.397 1.00 0.00 C ATOM 1379 O GLN A 100 -3.361 7.399 2.573 1.00 0.00 O ATOM 1380 CB GLN A 100 -4.897 8.273 -0.300 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.147 9.719 -0.736 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.529 10.197 -0.286 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -6.770 10.471 0.878 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.420 10.280 -1.269 1.00 0.00 N ATOM 0 H GLN A 100 -2.949 7.526 -1.653 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.201 9.071 0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.019 7.606 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.639 7.980 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.379 10.368 -0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.068 9.794 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.152 10.035 -2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.372 10.588 -1.070 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.602 5.808 0.984 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.606 4.706 1.932 1.00 0.00 C ATOM 1393 C VAL A 101 -2.308 4.731 2.741 1.00 0.00 C ATOM 1394 O VAL A 101 -2.299 4.374 3.917 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.825 3.384 1.194 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -5.087 3.440 0.330 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.601 3.015 0.352 1.00 0.00 C ATOM 0 H VAL A 101 -3.699 5.531 0.007 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.431 4.810 2.637 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.965 2.604 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.219 2.488 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.953 3.634 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.989 4.238 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.784 2.071 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.415 3.798 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.731 2.912 1.000 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.242 5.155 2.077 1.00 0.00 N ATOM 1408 CA ILE A 102 0.059 5.231 2.721 1.00 0.00 C ATOM 1409 C ILE A 102 -0.001 6.247 3.863 1.00 0.00 C ATOM 1410 O ILE A 102 0.407 5.949 4.985 1.00 0.00 O ATOM 1411 CB ILE A 102 1.149 5.529 1.691 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.446 4.295 0.834 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.409 6.074 2.368 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.532 3.429 1.478 1.00 0.00 C ATOM 0 H ILE A 102 -1.253 5.449 1.100 1.00 0.00 H new ATOM 0 HA ILE A 102 0.323 4.270 3.162 1.00 0.00 H new ATOM 0 HB ILE A 102 0.782 6.306 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.536 3.709 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.766 4.607 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.169 6.278 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.168 6.996 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.789 5.337 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.724 2.559 0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.448 4.011 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.198 3.099 2.462 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.514 7.425 3.540 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.633 8.486 4.526 1.00 0.00 C ATOM 1427 C ALA A 103 -1.451 7.982 5.715 1.00 0.00 C ATOM 1428 O ALA A 103 -1.154 8.311 6.863 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.253 9.723 3.873 1.00 0.00 C ATOM 0 H ALA A 103 -0.852 7.668 2.609 1.00 0.00 H new ATOM 0 HA ALA A 103 0.349 8.774 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.342 10.519 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.618 10.059 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.241 9.474 3.487 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.467 7.191 5.402 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.331 6.637 6.430 1.00 0.00 C ATOM 1437 C LEU A 104 -2.482 5.871 7.445 1.00 0.00 C ATOM 1438 O LEU A 104 -2.822 5.812 8.626 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.445 5.798 5.801 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.497 6.571 5.002 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.497 5.617 4.346 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.192 7.615 5.878 1.00 0.00 C ATOM 0 H LEU A 104 -2.711 6.920 4.449 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.835 7.436 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.988 5.059 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.951 5.249 6.595 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.990 7.108 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.234 6.192 3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.969 4.945 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.002 5.034 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.935 8.150 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.684 7.119 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.454 8.321 6.258 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.393 5.302 6.949 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.492 4.540 7.798 1.00 0.00 C ATOM 1455 C ILE A 105 0.427 5.504 8.550 1.00 0.00 C ATOM 1456 O ILE A 105 0.561 5.414 9.769 1.00 0.00 O ATOM 1457 CB ILE A 105 0.256 3.488 6.977 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.668 2.331 6.595 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.506 3.005 7.715 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.167 1.623 5.335 1.00 0.00 C ATOM 0 H ILE A 105 -1.114 5.353 5.969 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.053 3.983 8.549 1.00 0.00 H new ATOM 0 HB ILE A 105 0.589 3.952 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.725 1.619 7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.678 2.707 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.020 2.258 7.110 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.173 3.849 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.218 2.564 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.842 0.804 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.135 2.332 4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.833 1.227 5.513 1.00 0.00 H new ATOM 1471 N GLN A 106 1.038 6.401 7.791 1.00 0.00 N ATOM 1472 CA GLN A 106 1.942 7.381 8.372 1.00 0.00 C ATOM 1473 C GLN A 106 1.206 8.236 9.404 1.00 0.00 C ATOM 1474 O GLN A 106 1.769 8.587 10.439 1.00 0.00 O ATOM 1475 CB GLN A 106 2.576 8.254 7.286 1.00 0.00 C ATOM 1476 CG GLN A 106 3.476 7.423 6.370 1.00 0.00 C ATOM 1477 CD GLN A 106 4.862 8.056 6.242 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.396 8.636 7.171 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.413 7.913 5.040 1.00 0.00 N ATOM 0 H GLN A 106 0.926 6.471 6.780 1.00 0.00 H new ATOM 0 HA GLN A 106 2.747 6.849 8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.794 8.732 6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.159 9.051 7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.569 6.412 6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.019 7.338 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.911 7.415 4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.338 8.301 4.853 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.041 8.550 9.084 1.00 0.00 N ATOM 1487 CA ASN A 107 -0.860 9.359 9.971 1.00 0.00 C ATOM 1488 C ASN A 107 -1.753 8.443 10.811 1.00 0.00 C ATOM 1489 O ASN A 107 -2.803 8.865 11.292 1.00 0.00 O ATOM 1490 CB ASN A 107 -1.764 10.303 9.177 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.039 11.610 8.849 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -0.628 12.358 9.721 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -0.905 11.842 7.547 1.00 0.00 N ATOM 0 H ASN A 107 -0.504 8.259 8.223 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.194 9.945 10.604 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.081 9.818 8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.666 10.517 9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -0.435 12.688 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.272 11.174 6.869 1.00 0.00 H new ATOM 1499 N SER A 108 -1.303 7.205 10.960 1.00 0.00 N ATOM 1500 CA SER A 108 -2.049 6.227 11.732 1.00 0.00 C ATOM 1501 C SER A 108 -1.780 6.422 13.226 1.00 0.00 C ATOM 1502 O SER A 108 -2.416 5.786 14.064 1.00 0.00 O ATOM 1503 CB SER A 108 -1.688 4.801 11.310 1.00 0.00 C ATOM 1504 OG SER A 108 -2.444 3.826 12.023 1.00 0.00 O ATOM 0 H SER A 108 -0.432 6.858 10.559 1.00 0.00 H new ATOM 0 HA SER A 108 -3.111 6.377 11.538 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.863 4.684 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.625 4.631 11.480 1.00 0.00 H new ATOM 0 HG SER A 108 -2.160 3.814 12.961 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.835 7.306 13.513 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.474 7.595 14.890 1.00 0.00 C ATOM 1511 C ASP A 109 0.493 6.522 15.395 1.00 0.00 C ATOM 1512 O ASP A 109 1.180 5.878 14.602 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.706 7.583 15.796 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.647 8.552 16.979 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -0.874 9.528 16.876 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.377 8.294 17.961 1.00 0.00 O ATOM 0 H ASP A 109 -0.309 7.831 12.815 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.015 8.583 14.918 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.583 7.820 15.194 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.847 6.573 16.180 1.00 0.00 H new ATOM 1520 N THR A 110 0.516 6.362 16.710 1.00 0.00 N ATOM 1521 CA THR A 110 1.389 5.377 17.327 1.00 0.00 C ATOM 1522 C THR A 110 1.104 3.984 16.764 1.00 0.00 C ATOM 1523 O THR A 110 1.986 3.357 16.177 1.00 0.00 O ATOM 1524 CB THR A 110 1.204 5.469 18.844 1.00 0.00 C ATOM 1525 OG1 THR A 110 1.530 6.821 19.152 1.00 0.00 O ATOM 1526 CG2 THR A 110 2.243 4.650 19.612 1.00 0.00 C ATOM 0 H THR A 110 -0.055 6.897 17.365 1.00 0.00 H new ATOM 0 HA THR A 110 2.436 5.577 17.098 1.00 0.00 H new ATOM 0 HB THR A 110 0.204 5.125 19.109 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.435 6.969 20.116 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.066 4.750 20.683 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.162 3.601 19.328 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.242 5.014 19.374 1.00 0.00 H new ATOM 1534 N THR A 111 -0.128 3.540 16.962 1.00 0.00 N ATOM 1535 CA THR A 111 -0.538 2.232 16.482 1.00 0.00 C ATOM 1536 C THR A 111 -1.107 2.339 15.065 1.00 0.00 C ATOM 1537 O THR A 111 -1.512 3.419 14.635 1.00 0.00 O ATOM 1538 CB THR A 111 -1.528 1.646 17.491 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.010 2.781 18.204 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.838 0.799 18.562 1.00 0.00 C ATOM 0 H THR A 111 -0.856 4.063 17.449 1.00 0.00 H new ATOM 0 HA THR A 111 0.312 1.554 16.408 1.00 0.00 H new ATOM 0 HB THR A 111 -2.265 1.038 16.966 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.603 3.304 17.625 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.585 0.407 19.253 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.312 -0.029 18.088 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.125 1.415 19.110 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.121 1.206 14.380 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.633 1.159 13.021 1.00 0.00 C ATOM 1550 C LEU A 112 -2.140 -0.252 12.720 1.00 0.00 C ATOM 1551 O LEU A 112 -1.414 -1.229 12.905 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.578 1.658 12.032 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.802 1.284 10.566 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.368 -0.158 10.294 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.255 1.532 10.153 1.00 0.00 C ATOM 0 H LEU A 112 -0.786 0.313 14.741 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.482 1.833 12.911 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.525 2.744 12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.393 1.270 12.341 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.176 1.930 9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.538 -0.397 9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.692 -0.269 10.524 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.948 -0.837 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.388 1.258 9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.918 0.928 10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.496 2.587 10.285 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.379 -0.317 12.260 1.00 0.00 N ATOM 1567 CA GLU A 113 -3.991 -1.594 11.931 1.00 0.00 C ATOM 1568 C GLU A 113 -4.172 -1.722 10.417 1.00 0.00 C ATOM 1569 O GLU A 113 -4.521 -0.752 9.746 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.326 -1.766 12.659 1.00 0.00 C ATOM 1571 CG GLU A 113 -5.991 -3.091 12.278 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.465 -3.103 12.688 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -7.715 -3.244 13.905 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.308 -2.969 11.775 1.00 0.00 O ATOM 0 H GLU A 113 -3.978 0.494 12.107 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.326 -2.390 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.164 -1.733 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.989 -0.937 12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.908 -3.248 11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.469 -3.916 12.762 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.926 -2.927 9.923 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.057 -3.194 8.501 1.00 0.00 C ATOM 1581 C LEU A 114 -5.063 -4.327 8.290 1.00 0.00 C ATOM 1582 O LEU A 114 -5.659 -4.818 9.247 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.687 -3.465 7.878 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.628 -2.380 8.087 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.217 -2.955 7.950 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.859 -1.198 7.141 1.00 0.00 C ATOM 0 H LEU A 114 -3.637 -3.729 10.483 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.449 -2.318 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.304 -4.401 8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.820 -3.613 6.806 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.724 -2.002 9.105 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.515 -2.162 8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.068 -3.736 8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.091 -3.377 6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.093 -0.441 7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.807 -1.543 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.842 -0.767 7.330 1.00 0.00 H new ATOM 1597 N SER A 115 -5.222 -4.708 7.031 1.00 0.00 N ATOM 1598 CA SER A 115 -6.146 -5.773 6.681 1.00 0.00 C ATOM 1599 C SER A 115 -5.736 -6.406 5.351 1.00 0.00 C ATOM 1600 O SER A 115 -5.483 -5.700 4.376 1.00 0.00 O ATOM 1601 CB SER A 115 -7.582 -5.252 6.603 1.00 0.00 C ATOM 1602 OG SER A 115 -7.810 -4.172 7.503 1.00 0.00 O ATOM 0 H SER A 115 -4.726 -4.298 6.240 1.00 0.00 H new ATOM 0 HA SER A 115 -6.106 -6.531 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.794 -4.926 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.274 -6.063 6.828 1.00 0.00 H new ATOM 0 HG SER A 115 -8.748 -4.175 7.787 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.684 -7.730 5.353 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.309 -8.466 4.158 1.00 0.00 C ATOM 1609 C VAL A 116 -6.326 -9.582 3.911 1.00 0.00 C ATOM 1610 O VAL A 116 -7.349 -9.656 4.589 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.875 -8.983 4.289 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.897 -7.832 4.539 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.771 -10.038 5.392 1.00 0.00 C ATOM 0 H VAL A 116 -5.895 -8.312 6.164 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.326 -7.812 3.286 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.603 -9.456 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.885 -8.227 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.940 -7.130 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.168 -7.318 5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.742 -10.389 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.073 -9.600 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.425 -10.878 5.155 1.00 0.00 H new ATOM 1623 N MET A 117 -6.009 -10.424 2.938 1.00 0.00 N ATOM 1624 CA MET A 117 -6.882 -11.533 2.595 1.00 0.00 C ATOM 1625 C MET A 117 -6.072 -12.795 2.290 1.00 0.00 C ATOM 1626 O MET A 117 -5.726 -13.052 1.138 1.00 0.00 O ATOM 1627 CB MET A 117 -7.724 -11.159 1.373 1.00 0.00 C ATOM 1628 CG MET A 117 -8.715 -10.043 1.708 1.00 0.00 C ATOM 1629 SD MET A 117 -10.351 -10.723 1.923 1.00 0.00 S ATOM 1630 CE MET A 117 -10.240 -11.273 3.615 1.00 0.00 C ATOM 0 H MET A 117 -5.160 -10.360 2.377 1.00 0.00 H new ATOM 0 HA MET A 117 -7.531 -11.738 3.447 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.071 -10.838 0.562 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.265 -12.036 1.018 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.403 -9.530 2.618 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.723 -9.301 0.910 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.243 -11.427 4.014 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.685 -12.210 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.725 -10.519 4.210 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.787 -13.569 3.370 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.025 -14.798 3.232 1.00 0.00 C ATOM 1640 C PRO A 118 -5.882 -15.908 2.619 1.00 0.00 C ATOM 1641 O PRO A 118 -7.109 -15.857 2.683 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.545 -15.126 4.636 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.437 -14.331 5.576 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.182 -13.296 4.750 1.00 0.00 C ATOM 0 HA PRO A 118 -4.180 -14.693 2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.621 -16.195 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.498 -14.852 4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.140 -14.991 6.084 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.840 -13.845 6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.260 -13.388 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -5.911 -12.283 5.047 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.200 -16.885 2.038 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.885 -18.006 1.414 1.00 0.00 C ATOM 1651 C LYS A 119 -5.364 -19.313 2.016 1.00 0.00 C ATOM 1652 O LYS A 119 -4.248 -19.364 2.530 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.752 -17.933 -0.108 1.00 0.00 C ATOM 1654 CG LYS A 119 -7.053 -17.445 -0.749 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.827 -17.032 -2.204 1.00 0.00 C ATOM 1656 CE LYS A 119 -7.739 -17.822 -3.147 1.00 0.00 C ATOM 1657 NZ LYS A 119 -9.152 -17.438 -2.940 1.00 0.00 N ATOM 0 H LYS A 119 -4.182 -16.924 1.986 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.955 -17.964 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.937 -17.260 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.495 -18.916 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.803 -18.235 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.446 -16.600 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.018 -15.965 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.785 -17.199 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.453 -17.635 -4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.616 -18.891 -2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.745 -17.892 -3.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.461 -17.747 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.245 -16.405 -3.014 1.00 0.00 H new