USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 933 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 129 ASN : amide:sc= -0.268 K(o=-0.67,f=-12!) USER MOD Set 1.2: A 132 GLN : amide:sc= -0.401 K(o=-0.67,f=-13!) USER MOD Set 2.1: A 65 SER OG : rot 170:sc= -0.0802 USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= -1.24! USER MOD Set 3.2: A 59 ASN : amide:sc= -5.48! C(o=-6.7!,f=-14!) USER MOD Set 4.1: A 36 CYS SG : rot -133:sc= 1.01 USER MOD Set 4.2: A 39 CYS SG : rot 180:sc= 0.5 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -105:sc= -0.482 USER MOD Single : A 14 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.027) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 15:sc= -5.31! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= -0.085 (180deg=-1.41) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -12.6! (180deg=-13!) USER MOD Single : A 34 SER OG : rot -140:sc= 0.409 USER MOD Single : A 41 SER OG : rot 44:sc= -1.03 USER MOD Single : A 45 GLN : amide:sc=-0.00415 X(o=-0.0042,f=-0.0056) USER MOD Single : A 46 THR OG1 : rot 92:sc= 0.998 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= -0.687 (180deg=-0.697) USER MOD Single : A 56 SER OG : rot -64:sc= 1.08 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -106:sc= -0.0473 USER MOD Single : A 70 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.289 K(o=-0.29,f=-2.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 44:sc= 0.234 USER MOD Single : A 95 ASN : amide:sc= -0.263 K(o=-0.26,f=-4!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 102 SER OG : rot 85:sc= 0.0226 USER MOD Single : A 104 ASN : amide:sc= -0.77! X(o=-0.77!,f=-0.94) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -110:sc= -0.109 USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0844) USER MOD Single : A 121 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.1) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.0314 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 1.019 -0.538 12.796 1.00 0.00 N ATOM 125 CA LEU A 9 0.722 0.430 11.752 1.00 0.00 C ATOM 126 C LEU A 9 -0.771 0.760 11.778 1.00 0.00 C ATOM 127 O LEU A 9 -1.611 -0.140 11.774 1.00 0.00 O ATOM 128 CB LEU A 9 1.216 -0.078 10.396 1.00 0.00 C ATOM 129 CG LEU A 9 2.621 0.365 9.985 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.669 1.872 9.728 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.659 -0.073 11.021 1.00 0.00 C ATOM 0 HA LEU A 9 1.258 1.362 11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.189 -1.168 10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.514 0.251 9.630 1.00 0.00 H new ATOM 0 HG LEU A 9 2.873 -0.129 9.047 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.679 2.160 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.975 2.127 8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.387 2.405 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.649 0.254 10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.420 0.373 11.986 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.648 -1.159 11.111 1.00 0.00 H new ATOM 143 N LYS A 10 -1.058 2.054 11.805 1.00 0.00 N ATOM 144 CA LYS A 10 -2.436 2.514 11.831 1.00 0.00 C ATOM 145 C LYS A 10 -2.754 3.232 10.518 1.00 0.00 C ATOM 146 O LYS A 10 -1.922 3.968 9.992 1.00 0.00 O ATOM 147 CB LYS A 10 -2.692 3.366 13.077 1.00 0.00 C ATOM 148 CG LYS A 10 -2.485 2.548 14.352 1.00 0.00 C ATOM 149 CD LYS A 10 -3.724 2.604 15.247 1.00 0.00 C ATOM 150 CE LYS A 10 -3.340 2.882 16.702 1.00 0.00 C ATOM 151 NZ LYS A 10 -4.538 2.847 17.570 1.00 0.00 N ATOM 0 H LYS A 10 -0.360 2.798 11.809 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.120 1.668 11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.021 4.225 13.079 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.709 3.756 13.052 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.266 1.512 14.092 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.621 2.929 14.897 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.399 3.382 14.891 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.265 1.660 15.184 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.616 2.141 17.041 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.858 3.857 16.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.260 3.038 18.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.216 3.570 17.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.982 1.908 17.512 1.00 0.00 H new ATOM 164 N THR A 11 -3.962 2.991 10.028 1.00 0.00 N ATOM 165 CA THR A 11 -4.401 3.605 8.787 1.00 0.00 C ATOM 166 C THR A 11 -4.818 5.058 9.029 1.00 0.00 C ATOM 167 O THR A 11 -4.785 5.536 10.161 1.00 0.00 O ATOM 168 CB THR A 11 -5.521 2.741 8.202 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.404 2.528 9.300 1.00 0.00 O ATOM 170 CG2 THR A 11 -5.041 1.337 7.829 1.00 0.00 C ATOM 0 H THR A 11 -4.649 2.379 10.468 1.00 0.00 H new ATOM 0 HA THR A 11 -3.591 3.649 8.059 1.00 0.00 H new ATOM 0 HB THR A 11 -5.934 3.229 7.319 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.298 1.612 9.632 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.873 0.765 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.248 1.409 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.659 0.835 8.718 1.00 0.00 H new ATOM 178 N ALA A 12 -5.199 5.718 7.946 1.00 0.00 N ATOM 179 CA ALA A 12 -5.621 7.107 8.025 1.00 0.00 C ATOM 180 C ALA A 12 -6.995 7.179 8.696 1.00 0.00 C ATOM 181 O ALA A 12 -7.501 8.268 8.965 1.00 0.00 O ATOM 182 CB ALA A 12 -5.623 7.721 6.625 1.00 0.00 C ATOM 0 H ALA A 12 -5.225 5.317 7.008 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.926 7.686 8.633 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.939 8.762 6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.619 7.671 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.312 7.168 5.986 1.00 0.00 H new ATOM 188 N ASP A 13 -7.559 6.007 8.946 1.00 0.00 N ATOM 189 CA ASP A 13 -8.864 5.923 9.580 1.00 0.00 C ATOM 190 C ASP A 13 -8.687 5.551 11.054 1.00 0.00 C ATOM 191 O ASP A 13 -9.601 5.011 11.674 1.00 0.00 O ATOM 192 CB ASP A 13 -9.729 4.847 8.921 1.00 0.00 C ATOM 193 CG ASP A 13 -8.976 3.890 7.993 1.00 0.00 C ATOM 194 OD1 ASP A 13 -9.047 2.663 8.148 1.00 0.00 O ATOM 195 OD2 ASP A 13 -8.285 4.462 7.067 1.00 0.00 O ATOM 0 H ASP A 13 -7.136 5.107 8.721 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.353 6.892 9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.215 4.264 9.703 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.519 5.336 8.351 1.00 0.00 H new ATOM 201 N ASN A 14 -7.506 5.857 11.571 1.00 0.00 N ATOM 202 CA ASN A 14 -7.198 5.562 12.959 1.00 0.00 C ATOM 203 C ASN A 14 -7.582 4.112 13.266 1.00 0.00 C ATOM 204 O ASN A 14 -8.157 3.827 14.315 1.00 0.00 O ATOM 205 CB ASN A 14 -7.990 6.469 13.904 1.00 0.00 C ATOM 206 CG ASN A 14 -7.069 7.481 14.590 1.00 0.00 C ATOM 207 OD1 ASN A 14 -7.259 8.684 14.511 1.00 0.00 O ATOM 208 ND2 ASN A 14 -6.066 6.929 15.266 1.00 0.00 N ATOM 0 H ASN A 14 -6.751 6.306 11.053 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.131 5.727 13.109 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.764 6.996 13.345 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.496 5.864 14.656 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.397 7.520 15.760 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.965 5.914 15.291 1.00 0.00 H new ATOM 215 N ARG A 15 -7.249 3.236 12.329 1.00 0.00 N ATOM 216 CA ARG A 15 -7.552 1.823 12.485 1.00 0.00 C ATOM 217 C ARG A 15 -6.269 0.993 12.400 1.00 0.00 C ATOM 218 O ARG A 15 -5.262 1.454 11.865 1.00 0.00 O ATOM 219 CB ARG A 15 -8.533 1.347 11.411 1.00 0.00 C ATOM 220 CG ARG A 15 -9.970 1.717 11.778 1.00 0.00 C ATOM 221 CD ARG A 15 -10.917 0.538 11.542 1.00 0.00 C ATOM 222 NE ARG A 15 -12.311 1.021 11.447 1.00 0.00 N ATOM 223 CZ ARG A 15 -13.020 1.501 12.490 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.467 1.568 13.721 1.00 0.00 N ATOM 225 NH2 ARG A 15 -14.261 1.906 12.292 1.00 0.00 N ATOM 0 H ARG A 15 -6.773 3.477 11.460 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.012 1.688 13.464 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.272 1.794 10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.451 0.267 11.292 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.015 2.021 12.824 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.292 2.572 11.183 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.641 0.017 10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.827 -0.180 12.357 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.766 0.989 10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.507 1.255 13.867 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.009 1.932 14.505 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.672 1.854 11.360 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.809 2.271 13.071 1.00 0.00 H new ATOM 238 N PRO A 16 -6.349 -0.248 12.950 1.00 0.00 N ATOM 239 CA PRO A 16 -5.209 -1.148 12.940 1.00 0.00 C ATOM 240 C PRO A 16 -4.989 -1.740 11.547 1.00 0.00 C ATOM 241 O PRO A 16 -5.930 -2.215 10.916 1.00 0.00 O ATOM 242 CB PRO A 16 -5.527 -2.198 13.990 1.00 0.00 C ATOM 243 CG PRO A 16 -7.027 -2.119 14.218 1.00 0.00 C ATOM 244 CD PRO A 16 -7.526 -0.827 13.592 1.00 0.00 C ATOM 0 HA PRO A 16 -4.272 -0.642 13.174 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.236 -3.192 13.649 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.981 -2.005 14.913 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.527 -2.978 13.770 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.253 -2.139 15.284 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.318 -1.018 12.868 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.937 -0.155 14.345 1.00 0.00 H new ATOM 252 N ALA A 17 -3.739 -1.693 11.109 1.00 0.00 N ATOM 253 CA ALA A 17 -3.384 -2.219 9.802 1.00 0.00 C ATOM 254 C ALA A 17 -3.853 -3.671 9.697 1.00 0.00 C ATOM 255 O ALA A 17 -4.127 -4.162 8.604 1.00 0.00 O ATOM 256 CB ALA A 17 -1.876 -2.077 9.587 1.00 0.00 C ATOM 0 H ALA A 17 -2.960 -1.299 11.636 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.881 -1.654 9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.610 -2.472 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.598 -1.024 9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.344 -2.634 10.359 1.00 0.00 H new ATOM 262 N SER A 18 -3.929 -4.319 10.850 1.00 0.00 N ATOM 263 CA SER A 18 -4.360 -5.707 10.903 1.00 0.00 C ATOM 264 C SER A 18 -5.741 -5.851 10.258 1.00 0.00 C ATOM 265 O SER A 18 -6.087 -6.918 9.757 1.00 0.00 O ATOM 266 CB SER A 18 -4.392 -6.219 12.344 1.00 0.00 C ATOM 267 OG SER A 18 -5.485 -5.676 13.080 1.00 0.00 O ATOM 0 H SER A 18 -3.699 -3.909 11.755 1.00 0.00 H new ATOM 0 HA SER A 18 -3.641 -6.310 10.348 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.462 -7.307 12.341 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.457 -5.961 12.841 1.00 0.00 H new ATOM 0 HG SER A 18 -5.471 -6.029 13.994 1.00 0.00 H new ATOM 273 N VAL A 19 -6.490 -4.760 10.293 1.00 0.00 N ATOM 274 CA VAL A 19 -7.826 -4.750 9.717 1.00 0.00 C ATOM 275 C VAL A 19 -7.816 -5.533 8.404 1.00 0.00 C ATOM 276 O VAL A 19 -8.679 -6.378 8.173 1.00 0.00 O ATOM 277 CB VAL A 19 -8.314 -3.310 9.551 1.00 0.00 C ATOM 278 CG1 VAL A 19 -9.336 -3.205 8.418 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.893 -2.772 10.863 1.00 0.00 C ATOM 0 H VAL A 19 -6.199 -3.876 10.711 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.533 -5.243 10.384 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.455 -2.694 9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.667 -2.171 8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.878 -3.528 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.193 -3.841 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.233 -1.747 10.717 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.734 -3.393 11.171 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.125 -2.793 11.636 1.00 0.00 H new ATOM 289 N TYR A 20 -6.828 -5.224 7.575 1.00 0.00 N ATOM 290 CA TYR A 20 -6.694 -5.889 6.290 1.00 0.00 C ATOM 291 C TYR A 20 -5.564 -6.920 6.322 1.00 0.00 C ATOM 292 O TYR A 20 -5.495 -7.797 5.461 1.00 0.00 O ATOM 293 CB TYR A 20 -6.339 -4.793 5.284 1.00 0.00 C ATOM 294 CG TYR A 20 -5.088 -3.990 5.652 1.00 0.00 C ATOM 295 CD1 TYR A 20 -3.838 -4.552 5.498 1.00 0.00 C ATOM 296 CD2 TYR A 20 -5.212 -2.705 6.140 1.00 0.00 C ATOM 297 CE1 TYR A 20 -2.661 -3.798 5.845 1.00 0.00 C ATOM 298 CE2 TYR A 20 -4.035 -1.949 6.486 1.00 0.00 C ATOM 299 CZ TYR A 20 -2.818 -2.534 6.322 1.00 0.00 C ATOM 300 OH TYR A 20 -1.707 -1.822 6.650 1.00 0.00 O ATOM 0 H TYR A 20 -6.114 -4.522 7.769 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.614 -6.413 6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.191 -5.248 4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.183 -4.110 5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.742 -5.558 5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.191 -2.266 6.263 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.676 -4.226 5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.117 -0.942 6.867 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.916 -2.256 6.268 1.00 0.00 H new ATOM 310 N LEU A 21 -4.707 -6.783 7.322 1.00 0.00 N ATOM 311 CA LEU A 21 -3.585 -7.692 7.477 1.00 0.00 C ATOM 312 C LEU A 21 -4.087 -9.026 8.034 1.00 0.00 C ATOM 313 O LEU A 21 -4.654 -9.073 9.125 1.00 0.00 O ATOM 314 CB LEU A 21 -2.486 -7.046 8.324 1.00 0.00 C ATOM 315 CG LEU A 21 -1.071 -7.101 7.743 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.422 -5.716 7.751 1.00 0.00 C ATOM 317 CD2 LEU A 21 -0.217 -8.139 8.473 1.00 0.00 C ATOM 0 H LEU A 21 -4.767 -6.055 8.034 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.129 -7.902 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.749 -6.001 8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.475 -7.530 9.300 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.141 -7.418 6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.583 -5.782 7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.020 -5.030 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.365 -5.347 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.783 -8.157 8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.150 -7.878 9.529 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.674 -9.123 8.371 1.00 0.00 H new ATOM 329 N LYS A 22 -3.862 -10.076 7.258 1.00 0.00 N ATOM 330 CA LYS A 22 -4.284 -11.407 7.660 1.00 0.00 C ATOM 331 C LYS A 22 -3.079 -12.349 7.639 1.00 0.00 C ATOM 332 O LYS A 22 -2.565 -12.679 6.570 1.00 0.00 O ATOM 333 CB LYS A 22 -5.453 -11.882 6.795 1.00 0.00 C ATOM 334 CG LYS A 22 -6.791 -11.430 7.382 1.00 0.00 C ATOM 335 CD LYS A 22 -7.793 -12.586 7.416 1.00 0.00 C ATOM 336 CE LYS A 22 -9.115 -12.145 8.049 1.00 0.00 C ATOM 337 NZ LYS A 22 -9.131 -12.466 9.493 1.00 0.00 N ATOM 0 H LYS A 22 -3.393 -10.032 6.353 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.659 -11.395 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.345 -11.489 5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.435 -12.969 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.639 -11.046 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.195 -10.611 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.973 -12.947 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.374 -13.419 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.253 -11.073 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.947 -12.642 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.035 -12.160 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.021 -13.492 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.348 -11.972 9.967 1.00 0.00 H new ATOM 350 N LYS A 23 -2.664 -12.755 8.829 1.00 0.00 N ATOM 351 CA LYS A 23 -1.529 -13.652 8.959 1.00 0.00 C ATOM 352 C LYS A 23 -1.922 -15.041 8.453 1.00 0.00 C ATOM 353 O LYS A 23 -1.787 -16.030 9.175 1.00 0.00 O ATOM 354 CB LYS A 23 -1.002 -13.646 10.396 1.00 0.00 C ATOM 355 CG LYS A 23 0.485 -14.000 10.438 1.00 0.00 C ATOM 356 CD LYS A 23 0.794 -14.937 11.607 1.00 0.00 C ATOM 357 CE LYS A 23 1.744 -16.057 11.179 1.00 0.00 C ATOM 358 NZ LYS A 23 2.662 -16.408 12.284 1.00 0.00 N ATOM 0 H LYS A 23 -3.093 -12.479 9.712 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.700 -13.310 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.158 -12.663 10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.566 -14.360 10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.776 -14.474 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.077 -13.089 10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.240 -14.370 12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.133 -15.367 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.170 -16.935 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.318 -15.742 10.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.300 -17.170 11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.222 -15.573 12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.110 -16.729 13.105 1.00 0.00 H new ATOM 371 N ASP A 24 -2.401 -15.074 7.219 1.00 0.00 N ATOM 372 CA ASP A 24 -2.814 -16.326 6.609 1.00 0.00 C ATOM 373 C ASP A 24 -3.216 -16.072 5.154 1.00 0.00 C ATOM 374 O ASP A 24 -4.087 -16.755 4.619 1.00 0.00 O ATOM 375 CB ASP A 24 -4.022 -16.920 7.336 1.00 0.00 C ATOM 376 CG ASP A 24 -4.543 -18.237 6.757 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.861 -19.272 6.813 1.00 0.00 O ATOM 378 OD2 ASP A 24 -5.715 -18.173 6.223 1.00 0.00 O ATOM 0 H ASP A 24 -2.513 -14.253 6.624 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.978 -17.022 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.755 -17.080 8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.831 -16.189 7.322 1.00 0.00 H new ATOM 384 N LYS A 25 -2.561 -15.088 4.556 1.00 0.00 N ATOM 385 CA LYS A 25 -2.839 -14.735 3.175 1.00 0.00 C ATOM 386 C LYS A 25 -1.803 -13.716 2.696 1.00 0.00 C ATOM 387 O LYS A 25 -1.130 -13.079 3.506 1.00 0.00 O ATOM 388 CB LYS A 25 -4.285 -14.259 3.024 1.00 0.00 C ATOM 389 CG LYS A 25 -4.392 -12.750 3.249 1.00 0.00 C ATOM 390 CD LYS A 25 -5.854 -12.319 3.395 1.00 0.00 C ATOM 391 CE LYS A 25 -6.554 -12.290 2.035 1.00 0.00 C ATOM 392 NZ LYS A 25 -7.128 -13.618 1.719 1.00 0.00 N ATOM 0 H LYS A 25 -1.838 -14.524 5.003 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.748 -15.610 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.652 -14.509 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.920 -14.783 3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.836 -12.472 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.935 -12.221 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.375 -13.006 4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.902 -11.332 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.343 -11.538 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.844 -12.000 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.705 -13.979 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.926 -14.278 2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.157 -13.531 1.597 1.00 0.00 H new ATOM 405 N PRO A 26 -1.705 -13.587 1.345 1.00 0.00 N ATOM 406 CA PRO A 26 -0.763 -12.657 0.748 1.00 0.00 C ATOM 407 C PRO A 26 -1.256 -11.215 0.883 1.00 0.00 C ATOM 408 O PRO A 26 -2.461 -10.965 0.894 1.00 0.00 O ATOM 409 CB PRO A 26 -0.629 -13.106 -0.698 1.00 0.00 C ATOM 410 CG PRO A 26 -1.843 -13.975 -0.979 1.00 0.00 C ATOM 411 CD PRO A 26 -2.485 -14.323 0.355 1.00 0.00 C ATOM 0 HA PRO A 26 0.207 -12.664 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.598 -12.250 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.295 -13.665 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.551 -13.447 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.550 -14.881 -1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.534 -14.028 0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.451 -15.396 0.543 1.00 0.00 H new ATOM 419 N THR A 27 -0.301 -10.303 0.983 1.00 0.00 N ATOM 420 CA THR A 27 -0.623 -8.892 1.117 1.00 0.00 C ATOM 421 C THR A 27 0.229 -8.057 0.159 1.00 0.00 C ATOM 422 O THR A 27 1.443 -8.241 0.082 1.00 0.00 O ATOM 423 CB THR A 27 -0.446 -8.504 2.585 1.00 0.00 C ATOM 424 OG1 THR A 27 -1.281 -9.419 3.290 1.00 0.00 O ATOM 425 CG2 THR A 27 -1.044 -7.133 2.905 1.00 0.00 C ATOM 0 H THR A 27 0.697 -10.513 0.974 1.00 0.00 H new ATOM 0 HA THR A 27 -1.658 -8.694 0.837 1.00 0.00 H new ATOM 0 HB THR A 27 0.615 -8.505 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.225 -9.238 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.891 -6.907 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.556 -6.372 2.296 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.112 -7.142 2.687 1.00 0.00 H new ATOM 433 N LEU A 28 -0.439 -7.156 -0.546 1.00 0.00 N ATOM 434 CA LEU A 28 0.243 -6.292 -1.495 1.00 0.00 C ATOM 435 C LEU A 28 0.191 -4.849 -0.991 1.00 0.00 C ATOM 436 O LEU A 28 -0.877 -4.346 -0.644 1.00 0.00 O ATOM 437 CB LEU A 28 -0.337 -6.475 -2.899 1.00 0.00 C ATOM 438 CG LEU A 28 0.589 -6.110 -4.060 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.612 -7.219 -4.314 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.214 -5.773 -5.317 1.00 0.00 C ATOM 0 H LEU A 28 -1.446 -7.005 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 28 1.295 -6.566 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.637 -7.517 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.241 -5.872 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 28 1.146 -5.214 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.258 -6.935 -5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.216 -7.369 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.092 -8.145 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.469 -5.517 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.814 -6.635 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.870 -4.926 -5.114 1.00 0.00 H new ATOM 452 N ILE A 29 1.358 -4.222 -0.967 1.00 0.00 N ATOM 453 CA ILE A 29 1.460 -2.846 -0.512 1.00 0.00 C ATOM 454 C ILE A 29 1.781 -1.940 -1.704 1.00 0.00 C ATOM 455 O ILE A 29 2.417 -2.375 -2.663 1.00 0.00 O ATOM 456 CB ILE A 29 2.467 -2.733 0.635 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.302 -3.889 1.625 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.364 -1.370 1.323 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.472 -4.868 1.523 1.00 0.00 C ATOM 0 H ILE A 29 2.242 -4.642 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 29 0.507 -2.510 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 29 3.471 -2.807 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.238 -3.497 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.367 -4.412 1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.090 -1.316 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.569 -0.581 0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.360 -1.241 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.330 -5.680 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.518 -5.276 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.403 -4.347 1.746 1.00 0.00 H new ATOM 471 N LYS A 30 1.327 -0.700 -1.603 1.00 0.00 N ATOM 472 CA LYS A 30 1.558 0.269 -2.661 1.00 0.00 C ATOM 473 C LYS A 30 1.907 1.623 -2.039 1.00 0.00 C ATOM 474 O LYS A 30 1.090 2.214 -1.333 1.00 0.00 O ATOM 475 CB LYS A 30 0.361 0.319 -3.612 1.00 0.00 C ATOM 476 CG LYS A 30 0.481 -0.749 -4.702 1.00 0.00 C ATOM 477 CD LYS A 30 -0.317 -2.000 -4.331 1.00 0.00 C ATOM 478 CE LYS A 30 -1.745 -1.921 -4.873 1.00 0.00 C ATOM 479 NZ LYS A 30 -2.353 -3.270 -4.935 1.00 0.00 N ATOM 0 H LYS A 30 0.801 -0.344 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 30 2.409 -0.030 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.561 0.168 -3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.297 1.306 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.119 -0.350 -5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.529 -1.011 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.179 -2.884 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.341 -2.112 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.347 -1.274 -4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.739 -1.473 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.387 -3.182 -5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.991 -3.776 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.109 -3.801 -4.075 1.00 0.00 H new ATOM 492 N PHE A 31 3.119 2.073 -2.322 1.00 0.00 N ATOM 493 CA PHE A 31 3.585 3.346 -1.800 1.00 0.00 C ATOM 494 C PHE A 31 3.179 4.499 -2.719 1.00 0.00 C ATOM 495 O PHE A 31 3.381 4.432 -3.931 1.00 0.00 O ATOM 496 CB PHE A 31 5.112 3.272 -1.739 1.00 0.00 C ATOM 497 CG PHE A 31 5.647 2.123 -0.880 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.743 0.871 -1.405 1.00 0.00 C ATOM 499 CD2 PHE A 31 6.024 2.353 0.405 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.238 -0.196 -0.608 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.519 1.287 1.202 1.00 0.00 C ATOM 502 CZ PHE A 31 6.616 0.035 0.677 1.00 0.00 C ATOM 0 H PHE A 31 3.793 1.579 -2.906 1.00 0.00 H new ATOM 0 HA PHE A 31 3.146 3.528 -0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.501 3.166 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.496 4.214 -1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.443 0.689 -2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.947 3.347 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.314 -1.190 -1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.818 1.470 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.994 -0.776 1.282 1.00 0.00 H new ATOM 512 N TRP A 32 2.614 5.530 -2.109 1.00 0.00 N ATOM 513 CA TRP A 32 2.178 6.696 -2.858 1.00 0.00 C ATOM 514 C TRP A 32 2.535 7.942 -2.044 1.00 0.00 C ATOM 515 O TRP A 32 2.889 7.840 -0.870 1.00 0.00 O ATOM 516 CB TRP A 32 0.688 6.607 -3.192 1.00 0.00 C ATOM 517 CG TRP A 32 -0.230 6.702 -1.971 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.366 5.821 -0.971 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.139 7.779 -1.661 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.293 6.250 -0.042 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.778 7.478 -0.476 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.414 8.967 -2.359 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.732 8.316 0.116 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.369 9.794 -1.755 1.00 0.00 C ATOM 525 CH2 TRP A 32 -3.021 9.505 -0.562 1.00 0.00 C ATOM 0 H TRP A 32 2.448 5.582 -1.104 1.00 0.00 H new ATOM 0 HA TRP A 32 2.689 6.750 -3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.434 7.406 -3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.497 5.665 -3.705 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.181 4.892 -0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.571 5.757 0.806 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.927 9.222 -3.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.218 8.058 1.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.616 10.721 -2.251 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.748 10.196 -0.160 1.00 0.00 H new ATOM 536 N ALA A 33 2.430 9.089 -2.700 1.00 0.00 N ATOM 537 CA ALA A 33 2.737 10.352 -2.051 1.00 0.00 C ATOM 538 C ALA A 33 1.614 11.352 -2.337 1.00 0.00 C ATOM 539 O ALA A 33 0.895 11.218 -3.324 1.00 0.00 O ATOM 540 CB ALA A 33 4.101 10.855 -2.531 1.00 0.00 C ATOM 0 H ALA A 33 2.137 9.170 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 33 2.799 10.224 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.331 11.803 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.868 10.122 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.076 10.999 -3.611 1.00 0.00 H new ATOM 546 N SER A 34 1.501 12.334 -1.453 1.00 0.00 N ATOM 547 CA SER A 34 0.479 13.356 -1.597 1.00 0.00 C ATOM 548 C SER A 34 0.928 14.404 -2.616 1.00 0.00 C ATOM 549 O SER A 34 0.098 15.076 -3.229 1.00 0.00 O ATOM 550 CB SER A 34 0.171 14.019 -0.253 1.00 0.00 C ATOM 551 OG SER A 34 -0.896 14.958 -0.354 1.00 0.00 O ATOM 0 H SER A 34 2.101 12.443 -0.635 1.00 0.00 H new ATOM 0 HA SER A 34 -0.434 12.880 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.088 13.253 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.064 14.523 0.116 1.00 0.00 H new ATOM 0 HG SER A 34 -0.693 15.744 0.195 1.00 0.00 H new ATOM 557 N TRP A 35 2.241 14.514 -2.766 1.00 0.00 N ATOM 558 CA TRP A 35 2.809 15.470 -3.701 1.00 0.00 C ATOM 559 C TRP A 35 2.841 14.817 -5.084 1.00 0.00 C ATOM 560 O TRP A 35 3.244 15.446 -6.062 1.00 0.00 O ATOM 561 CB TRP A 35 4.186 15.943 -3.231 1.00 0.00 C ATOM 562 CG TRP A 35 5.122 14.809 -2.805 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.523 14.492 -1.567 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.760 13.849 -3.674 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.371 13.402 -1.574 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.518 13.000 -2.895 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.697 13.704 -5.071 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.272 11.945 -3.423 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.457 12.645 -5.583 1.00 0.00 C ATOM 570 CH2 TRP A 35 7.226 11.781 -4.812 1.00 0.00 C ATOM 0 H TRP A 35 2.927 13.957 -2.256 1.00 0.00 H new ATOM 0 HA TRP A 35 2.195 16.369 -3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.659 16.508 -4.035 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.057 16.628 -2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.221 15.022 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.809 12.972 -0.759 1.00 0.00 H new ATOM 0 HE3 TRP A 35 5.109 14.357 -5.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.858 11.293 -2.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.445 12.489 -6.652 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.786 10.986 -5.283 1.00 0.00 H new ATOM 581 N CYS A 36 2.411 13.565 -5.122 1.00 0.00 N ATOM 582 CA CYS A 36 2.386 12.820 -6.369 1.00 0.00 C ATOM 583 C CYS A 36 0.958 12.855 -6.920 1.00 0.00 C ATOM 584 O CYS A 36 0.039 12.316 -6.307 1.00 0.00 O ATOM 585 CB CYS A 36 2.891 11.387 -6.184 1.00 0.00 C ATOM 586 SG CYS A 36 3.001 10.548 -7.806 1.00 0.00 S ATOM 0 H CYS A 36 2.077 13.047 -4.309 1.00 0.00 H new ATOM 0 HA CYS A 36 3.064 13.284 -7.086 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.869 11.397 -5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.218 10.838 -5.526 1.00 0.00 H new ATOM 0 HG CYS A 36 2.468 9.365 -7.720 1.00 0.00 H new ATOM 592 N PRO A 37 0.814 13.511 -8.102 1.00 0.00 N ATOM 593 CA PRO A 37 -0.486 13.623 -8.743 1.00 0.00 C ATOM 594 C PRO A 37 -0.894 12.298 -9.390 1.00 0.00 C ATOM 595 O PRO A 37 -1.971 11.774 -9.112 1.00 0.00 O ATOM 596 CB PRO A 37 -0.333 14.753 -9.748 1.00 0.00 C ATOM 597 CG PRO A 37 1.163 14.920 -9.963 1.00 0.00 C ATOM 598 CD PRO A 37 1.880 14.163 -8.858 1.00 0.00 C ATOM 0 HA PRO A 37 -1.286 13.842 -8.036 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.838 14.514 -10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.779 15.674 -9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.454 14.535 -10.940 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.436 15.975 -9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.579 13.433 -9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.458 14.838 -8.226 1.00 0.00 H new ATOM 606 N LEU A 38 -0.012 11.796 -10.241 1.00 0.00 N ATOM 607 CA LEU A 38 -0.268 10.542 -10.930 1.00 0.00 C ATOM 608 C LEU A 38 -0.738 9.495 -9.918 1.00 0.00 C ATOM 609 O LEU A 38 -1.466 8.568 -10.270 1.00 0.00 O ATOM 610 CB LEU A 38 0.962 10.111 -11.733 1.00 0.00 C ATOM 611 CG LEU A 38 0.815 8.824 -12.546 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.307 9.022 -13.980 1.00 0.00 C ATOM 613 CD2 LEU A 38 1.520 7.656 -11.853 1.00 0.00 C ATOM 0 H LEU A 38 0.880 12.234 -10.469 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.070 10.665 -11.658 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.228 10.919 -12.414 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.797 9.988 -11.043 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.244 8.574 -12.602 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.191 8.092 -14.536 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.723 9.807 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.359 9.309 -13.968 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.401 6.753 -12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.581 7.883 -11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.081 7.499 -10.868 1.00 0.00 H new ATOM 625 N CYS A 39 -0.304 9.679 -8.681 1.00 0.00 N ATOM 626 CA CYS A 39 -0.672 8.763 -7.615 1.00 0.00 C ATOM 627 C CYS A 39 -2.094 9.097 -7.163 1.00 0.00 C ATOM 628 O CYS A 39 -2.964 8.229 -7.144 1.00 0.00 O ATOM 629 CB CYS A 39 0.324 8.817 -6.454 1.00 0.00 C ATOM 630 SG CYS A 39 1.735 7.700 -6.786 1.00 0.00 S ATOM 0 H CYS A 39 0.299 10.449 -8.392 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.642 7.739 -7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.682 9.838 -6.318 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.170 8.527 -5.527 1.00 0.00 H new ATOM 0 HG CYS A 39 2.575 7.756 -5.795 1.00 0.00 H new ATOM 636 N LEU A 40 -2.287 10.360 -6.808 1.00 0.00 N ATOM 637 CA LEU A 40 -3.589 10.820 -6.358 1.00 0.00 C ATOM 638 C LEU A 40 -4.650 10.419 -7.384 1.00 0.00 C ATOM 639 O LEU A 40 -5.769 10.061 -7.018 1.00 0.00 O ATOM 640 CB LEU A 40 -3.555 12.321 -6.063 1.00 0.00 C ATOM 641 CG LEU A 40 -3.227 12.714 -4.621 1.00 0.00 C ATOM 642 CD1 LEU A 40 -1.792 13.232 -4.505 1.00 0.00 C ATOM 643 CD2 LEU A 40 -4.245 13.722 -4.083 1.00 0.00 C ATOM 0 H LEU A 40 -1.563 11.078 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.858 10.340 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.820 12.784 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.526 12.744 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.297 11.821 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.586 13.504 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.098 12.453 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.669 14.108 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.989 13.985 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.231 14.619 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.241 13.281 -4.107 1.00 0.00 H new ATOM 655 N SER A 41 -4.263 10.495 -8.649 1.00 0.00 N ATOM 656 CA SER A 41 -5.167 10.145 -9.731 1.00 0.00 C ATOM 657 C SER A 41 -5.360 8.628 -9.781 1.00 0.00 C ATOM 658 O SER A 41 -6.382 8.145 -10.265 1.00 0.00 O ATOM 659 CB SER A 41 -4.644 10.658 -11.074 1.00 0.00 C ATOM 660 OG SER A 41 -3.228 10.525 -11.182 1.00 0.00 O ATOM 0 H SER A 41 -3.335 10.794 -8.949 1.00 0.00 H new ATOM 0 HA SER A 41 -6.129 10.622 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.123 10.107 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.920 11.706 -11.194 1.00 0.00 H new ATOM 0 HG SER A 41 -2.956 9.644 -10.851 1.00 0.00 H new ATOM 666 N GLU A 42 -4.361 7.920 -9.275 1.00 0.00 N ATOM 667 CA GLU A 42 -4.408 6.466 -9.255 1.00 0.00 C ATOM 668 C GLU A 42 -5.175 5.976 -8.025 1.00 0.00 C ATOM 669 O GLU A 42 -5.612 4.829 -7.979 1.00 0.00 O ATOM 670 CB GLU A 42 -2.999 5.872 -9.297 1.00 0.00 C ATOM 671 CG GLU A 42 -2.992 4.533 -10.038 1.00 0.00 C ATOM 672 CD GLU A 42 -2.887 4.742 -11.549 1.00 0.00 C ATOM 673 OE1 GLU A 42 -3.915 4.836 -12.235 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.682 4.808 -12.009 1.00 0.00 O ATOM 0 H GLU A 42 -3.514 8.325 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.936 6.126 -10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.321 6.569 -9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.629 5.732 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.155 3.927 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.903 3.981 -9.806 1.00 0.00 H new ATOM 682 N LEU A 43 -5.313 6.872 -7.058 1.00 0.00 N ATOM 683 CA LEU A 43 -6.017 6.545 -5.831 1.00 0.00 C ATOM 684 C LEU A 43 -7.420 6.040 -6.172 1.00 0.00 C ATOM 685 O LEU A 43 -7.807 4.946 -5.763 1.00 0.00 O ATOM 686 CB LEU A 43 -6.010 7.738 -4.874 1.00 0.00 C ATOM 687 CG LEU A 43 -4.686 8.015 -4.158 1.00 0.00 C ATOM 688 CD1 LEU A 43 -4.855 9.104 -3.096 1.00 0.00 C ATOM 689 CD2 LEU A 43 -4.098 6.730 -3.575 1.00 0.00 C ATOM 0 H LEU A 43 -4.949 7.824 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.507 5.739 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.291 8.630 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.781 7.579 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.972 8.390 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.900 9.282 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.195 10.025 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.590 8.782 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.158 6.956 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.799 6.301 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.917 6.015 -4.378 1.00 0.00 H new ATOM 701 N GLY A 44 -8.145 6.861 -6.918 1.00 0.00 N ATOM 702 CA GLY A 44 -9.496 6.512 -7.321 1.00 0.00 C ATOM 703 C GLY A 44 -9.530 5.140 -7.998 1.00 0.00 C ATOM 704 O GLY A 44 -10.308 4.270 -7.608 1.00 0.00 O ATOM 0 H GLY A 44 -7.821 7.768 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.150 6.507 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.882 7.268 -8.004 1.00 0.00 H new ATOM 708 N GLN A 45 -8.676 4.988 -8.999 1.00 0.00 N ATOM 709 CA GLN A 45 -8.597 3.737 -9.735 1.00 0.00 C ATOM 710 C GLN A 45 -8.183 2.598 -8.800 1.00 0.00 C ATOM 711 O GLN A 45 -8.639 1.467 -8.957 1.00 0.00 O ATOM 712 CB GLN A 45 -7.634 3.856 -10.916 1.00 0.00 C ATOM 713 CG GLN A 45 -7.728 2.628 -11.825 1.00 0.00 C ATOM 714 CD GLN A 45 -8.237 3.013 -13.216 1.00 0.00 C ATOM 715 OE1 GLN A 45 -7.630 3.790 -13.934 1.00 0.00 O ATOM 716 NE2 GLN A 45 -9.382 2.427 -13.554 1.00 0.00 N ATOM 0 H GLN A 45 -8.032 5.711 -9.318 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.584 3.510 -10.137 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.864 4.755 -11.488 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.613 3.964 -10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.748 2.158 -11.910 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.397 1.892 -11.380 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.838 1.786 -12.905 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.804 2.618 -14.463 1.00 0.00 H new ATOM 725 N THR A 46 -7.324 2.937 -7.851 1.00 0.00 N ATOM 726 CA THR A 46 -6.842 1.957 -6.892 1.00 0.00 C ATOM 727 C THR A 46 -7.960 1.566 -5.924 1.00 0.00 C ATOM 728 O THR A 46 -8.087 0.399 -5.556 1.00 0.00 O ATOM 729 CB THR A 46 -5.611 2.542 -6.197 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.671 2.725 -7.251 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.934 1.536 -5.264 1.00 0.00 C ATOM 0 H THR A 46 -6.949 3.877 -7.725 1.00 0.00 H new ATOM 0 HA THR A 46 -6.544 1.032 -7.385 1.00 0.00 H new ATOM 0 HB THR A 46 -5.900 3.427 -5.630 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.761 3.630 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.066 2.001 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.638 1.224 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.614 0.666 -5.837 1.00 0.00 H new ATOM 739 N GLU A 47 -8.742 2.563 -5.538 1.00 0.00 N ATOM 740 CA GLU A 47 -9.843 2.339 -4.619 1.00 0.00 C ATOM 741 C GLU A 47 -10.819 1.312 -5.200 1.00 0.00 C ATOM 742 O GLU A 47 -11.346 0.471 -4.474 1.00 0.00 O ATOM 743 CB GLU A 47 -10.560 3.650 -4.291 1.00 0.00 C ATOM 744 CG GLU A 47 -11.838 3.390 -3.489 1.00 0.00 C ATOM 745 CD GLU A 47 -12.075 4.499 -2.461 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.606 5.632 -2.653 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.775 4.152 -1.435 1.00 0.00 O ATOM 0 H GLU A 47 -8.634 3.529 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.438 1.942 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.895 4.300 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.806 4.175 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.690 3.328 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.764 2.428 -2.981 1.00 0.00 H new ATOM 755 N LYS A 48 -11.027 1.414 -6.505 1.00 0.00 N ATOM 756 CA LYS A 48 -11.928 0.505 -7.192 1.00 0.00 C ATOM 757 C LYS A 48 -11.220 -0.831 -7.423 1.00 0.00 C ATOM 758 O LYS A 48 -11.859 -1.881 -7.436 1.00 0.00 O ATOM 759 CB LYS A 48 -12.463 1.147 -8.473 1.00 0.00 C ATOM 760 CG LYS A 48 -13.232 0.129 -9.318 1.00 0.00 C ATOM 761 CD LYS A 48 -14.370 0.803 -10.089 1.00 0.00 C ATOM 762 CE LYS A 48 -13.944 1.126 -11.522 1.00 0.00 C ATOM 763 NZ LYS A 48 -15.129 1.410 -12.363 1.00 0.00 N ATOM 0 H LYS A 48 -10.587 2.112 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.804 0.300 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.116 1.982 -8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.635 1.554 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.551 -0.356 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.637 -0.652 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.242 0.149 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.667 1.719 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.275 1.986 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.387 0.288 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.822 1.627 -13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.753 0.578 -12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.645 2.224 -11.972 1.00 0.00 H new ATOM 776 N TRP A 49 -9.910 -0.746 -7.601 1.00 0.00 N ATOM 777 CA TRP A 49 -9.107 -1.936 -7.830 1.00 0.00 C ATOM 778 C TRP A 49 -9.203 -2.819 -6.585 1.00 0.00 C ATOM 779 O TRP A 49 -9.093 -4.041 -6.674 1.00 0.00 O ATOM 780 CB TRP A 49 -7.668 -1.565 -8.191 1.00 0.00 C ATOM 781 CG TRP A 49 -7.501 -1.037 -9.618 1.00 0.00 C ATOM 782 CD1 TRP A 49 -8.454 -0.823 -10.535 1.00 0.00 C ATOM 783 CD2 TRP A 49 -6.262 -0.662 -10.256 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.922 -0.340 -11.714 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.548 -0.239 -11.539 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.945 -0.680 -9.767 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.566 0.198 -12.437 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.975 -0.241 -10.677 1.00 0.00 C ATOM 789 CH2 TRP A 49 -4.246 0.189 -11.972 1.00 0.00 C ATOM 0 H TRP A 49 -9.384 0.128 -7.591 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.485 -2.498 -8.684 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.312 -0.809 -7.491 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.034 -2.442 -8.063 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.506 -1.005 -10.372 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.442 -0.101 -12.558 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.700 -1.007 -8.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.814 0.525 -13.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.945 -0.236 -10.351 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.442 0.514 -12.615 1.00 0.00 H new ATOM 800 N ALA A 50 -9.406 -2.166 -5.449 1.00 0.00 N ATOM 801 CA ALA A 50 -9.517 -2.876 -4.187 1.00 0.00 C ATOM 802 C ALA A 50 -10.887 -3.553 -4.107 1.00 0.00 C ATOM 803 O ALA A 50 -11.125 -4.378 -3.225 1.00 0.00 O ATOM 804 CB ALA A 50 -9.280 -1.902 -3.031 1.00 0.00 C ATOM 0 H ALA A 50 -9.496 -1.153 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.759 -3.656 -4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.363 -2.435 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.283 -1.470 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.025 -1.107 -3.067 1.00 0.00 H new ATOM 810 N GLN A 51 -11.752 -3.178 -5.038 1.00 0.00 N ATOM 811 CA GLN A 51 -13.092 -3.738 -5.082 1.00 0.00 C ATOM 812 C GLN A 51 -13.143 -4.914 -6.062 1.00 0.00 C ATOM 813 O GLN A 51 -14.117 -5.666 -6.085 1.00 0.00 O ATOM 814 CB GLN A 51 -14.122 -2.670 -5.455 1.00 0.00 C ATOM 815 CG GLN A 51 -14.459 -1.790 -4.250 1.00 0.00 C ATOM 816 CD GLN A 51 -15.871 -2.080 -3.736 1.00 0.00 C ATOM 817 OE1 GLN A 51 -16.803 -1.325 -3.948 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.973 -3.215 -3.049 1.00 0.00 N ATOM 0 H GLN A 51 -11.551 -2.494 -5.767 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.343 -4.106 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.733 -2.052 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.029 -3.148 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.735 -1.965 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.378 -0.739 -4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.151 -3.802 -2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.874 -3.498 -2.663 1.00 0.00 H new ATOM 827 N ASP A 52 -12.084 -5.035 -6.848 1.00 0.00 N ATOM 828 CA ASP A 52 -11.995 -6.105 -7.827 1.00 0.00 C ATOM 829 C ASP A 52 -11.790 -7.438 -7.102 1.00 0.00 C ATOM 830 O ASP A 52 -10.919 -7.553 -6.242 1.00 0.00 O ATOM 831 CB ASP A 52 -10.809 -5.893 -8.768 1.00 0.00 C ATOM 832 CG ASP A 52 -10.558 -7.032 -9.759 1.00 0.00 C ATOM 833 OD1 ASP A 52 -11.298 -8.026 -9.788 1.00 0.00 O ATOM 834 OD2 ASP A 52 -9.538 -6.868 -10.532 1.00 0.00 O ATOM 0 H ASP A 52 -11.279 -4.409 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.919 -6.110 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.970 -4.972 -9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.910 -5.748 -8.169 1.00 0.00 H new ATOM 840 N ALA A 53 -12.610 -8.409 -7.475 1.00 0.00 N ATOM 841 CA ALA A 53 -12.530 -9.729 -6.872 1.00 0.00 C ATOM 842 C ALA A 53 -11.142 -10.320 -7.130 1.00 0.00 C ATOM 843 O ALA A 53 -10.532 -10.894 -6.230 1.00 0.00 O ATOM 844 CB ALA A 53 -13.651 -10.611 -7.423 1.00 0.00 C ATOM 0 H ALA A 53 -13.333 -8.308 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.666 -9.666 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.591 -11.601 -6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.616 -10.162 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.546 -10.699 -8.504 1.00 0.00 H new ATOM 850 N LYS A 54 -10.684 -10.156 -8.361 1.00 0.00 N ATOM 851 CA LYS A 54 -9.379 -10.667 -8.749 1.00 0.00 C ATOM 852 C LYS A 54 -8.335 -10.216 -7.724 1.00 0.00 C ATOM 853 O LYS A 54 -7.430 -10.975 -7.381 1.00 0.00 O ATOM 854 CB LYS A 54 -9.048 -10.254 -10.185 1.00 0.00 C ATOM 855 CG LYS A 54 -9.483 -11.333 -11.178 1.00 0.00 C ATOM 856 CD LYS A 54 -8.460 -11.483 -12.308 1.00 0.00 C ATOM 857 CE LYS A 54 -8.828 -12.649 -13.228 1.00 0.00 C ATOM 858 NZ LYS A 54 -8.548 -12.302 -14.639 1.00 0.00 N ATOM 0 H LYS A 54 -11.192 -9.677 -9.104 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.380 -11.757 -8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.547 -9.314 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.976 -10.078 -10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.599 -12.284 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.457 -11.077 -11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.413 -10.560 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.468 -11.646 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.261 -13.536 -12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.883 -12.894 -13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.835 -13.090 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.082 -11.448 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.530 -12.123 -14.757 1.00 0.00 H new ATOM 871 N PHE A 55 -8.498 -8.985 -7.264 1.00 0.00 N ATOM 872 CA PHE A 55 -7.581 -8.425 -6.285 1.00 0.00 C ATOM 873 C PHE A 55 -7.863 -8.985 -4.888 1.00 0.00 C ATOM 874 O PHE A 55 -6.961 -9.066 -4.056 1.00 0.00 O ATOM 875 CB PHE A 55 -7.810 -6.913 -6.271 1.00 0.00 C ATOM 876 CG PHE A 55 -6.644 -6.101 -6.839 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.400 -6.234 -6.306 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.852 -5.248 -7.877 1.00 0.00 C ATOM 879 CE1 PHE A 55 -4.318 -5.483 -6.834 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.769 -4.495 -8.405 1.00 0.00 C ATOM 881 CZ PHE A 55 -4.525 -4.628 -7.872 1.00 0.00 C ATOM 0 H PHE A 55 -9.251 -8.359 -7.550 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.554 -8.678 -6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.710 -6.687 -6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.996 -6.594 -5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.236 -6.911 -5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.840 -5.143 -8.300 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.330 -5.590 -6.412 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.934 -3.817 -9.229 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.702 -4.055 -8.272 1.00 0.00 H new ATOM 891 N SER A 56 -9.116 -9.355 -4.676 1.00 0.00 N ATOM 892 CA SER A 56 -9.528 -9.904 -3.394 1.00 0.00 C ATOM 893 C SER A 56 -8.536 -10.979 -2.944 1.00 0.00 C ATOM 894 O SER A 56 -8.243 -11.099 -1.755 1.00 0.00 O ATOM 895 CB SER A 56 -10.941 -10.485 -3.472 1.00 0.00 C ATOM 896 OG SER A 56 -10.947 -11.804 -4.009 1.00 0.00 O ATOM 0 H SER A 56 -9.861 -9.286 -5.370 1.00 0.00 H new ATOM 0 HA SER A 56 -9.537 -9.096 -2.662 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.383 -10.497 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.565 -9.839 -4.090 1.00 0.00 H new ATOM 0 HG SER A 56 -10.636 -11.780 -4.938 1.00 0.00 H new ATOM 902 N SER A 57 -8.048 -11.734 -3.917 1.00 0.00 N ATOM 903 CA SER A 57 -7.096 -12.795 -3.635 1.00 0.00 C ATOM 904 C SER A 57 -6.117 -12.344 -2.548 1.00 0.00 C ATOM 905 O SER A 57 -5.997 -12.994 -1.510 1.00 0.00 O ATOM 906 CB SER A 57 -6.335 -13.202 -4.899 1.00 0.00 C ATOM 907 OG SER A 57 -6.683 -14.514 -5.332 1.00 0.00 O ATOM 0 H SER A 57 -8.294 -11.632 -4.902 1.00 0.00 H new ATOM 0 HA SER A 57 -7.648 -13.665 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.548 -12.489 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.263 -13.156 -4.708 1.00 0.00 H new ATOM 0 HG SER A 57 -6.178 -14.736 -6.142 1.00 0.00 H new ATOM 913 N ALA A 58 -5.445 -11.238 -2.824 1.00 0.00 N ATOM 914 CA ALA A 58 -4.480 -10.694 -1.883 1.00 0.00 C ATOM 915 C ALA A 58 -5.029 -9.393 -1.293 1.00 0.00 C ATOM 916 O ALA A 58 -5.993 -8.831 -1.810 1.00 0.00 O ATOM 917 CB ALA A 58 -3.137 -10.495 -2.584 1.00 0.00 C ATOM 0 H ALA A 58 -5.549 -10.703 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.316 -11.388 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.415 -10.087 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.777 -11.453 -2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.260 -9.803 -3.417 1.00 0.00 H new ATOM 923 N ASN A 59 -4.390 -8.952 -0.219 1.00 0.00 N ATOM 924 CA ASN A 59 -4.801 -7.727 0.446 1.00 0.00 C ATOM 925 C ASN A 59 -4.080 -6.538 -0.192 1.00 0.00 C ATOM 926 O ASN A 59 -2.851 -6.485 -0.201 1.00 0.00 O ATOM 927 CB ASN A 59 -4.439 -7.759 1.932 1.00 0.00 C ATOM 928 CG ASN A 59 -4.641 -9.158 2.516 1.00 0.00 C ATOM 929 OD1 ASN A 59 -5.514 -9.907 2.111 1.00 0.00 O ATOM 930 ND2 ASN A 59 -3.788 -9.467 3.488 1.00 0.00 N ATOM 0 H ASN A 59 -3.591 -9.421 0.207 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.882 -7.632 0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.401 -7.453 2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.055 -7.042 2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.841 -10.379 3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.080 -8.793 3.779 1.00 0.00 H new ATOM 937 N LEU A 60 -4.874 -5.614 -0.710 1.00 0.00 N ATOM 938 CA LEU A 60 -4.327 -4.428 -1.348 1.00 0.00 C ATOM 939 C LEU A 60 -4.486 -3.229 -0.412 1.00 0.00 C ATOM 940 O LEU A 60 -5.586 -2.953 0.068 1.00 0.00 O ATOM 941 CB LEU A 60 -4.960 -4.221 -2.726 1.00 0.00 C ATOM 942 CG LEU A 60 -4.788 -2.831 -3.340 1.00 0.00 C ATOM 943 CD1 LEU A 60 -5.150 -2.840 -4.827 1.00 0.00 C ATOM 944 CD2 LEU A 60 -5.587 -1.784 -2.562 1.00 0.00 C ATOM 0 H LEU A 60 -5.893 -5.662 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.259 -4.551 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.537 -4.955 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.026 -4.434 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.737 -2.553 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.019 -1.840 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.501 -3.538 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.188 -3.149 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.447 -0.805 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.645 -2.045 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.239 -1.755 -1.529 1.00 0.00 H new ATOM 956 N ILE A 61 -3.374 -2.549 -0.178 1.00 0.00 N ATOM 957 CA ILE A 61 -3.376 -1.386 0.694 1.00 0.00 C ATOM 958 C ILE A 61 -2.243 -0.445 0.282 1.00 0.00 C ATOM 959 O ILE A 61 -1.299 -0.859 -0.386 1.00 0.00 O ATOM 960 CB ILE A 61 -3.318 -1.816 2.161 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.919 -2.319 2.529 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.400 -2.852 2.472 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.754 -3.795 2.161 1.00 0.00 C ATOM 0 H ILE A 61 -2.464 -2.781 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.307 -0.830 0.587 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.521 -0.943 2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.167 -1.725 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.750 -2.186 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.337 -3.141 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.382 -2.424 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.253 -3.731 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.752 -4.128 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.492 -4.389 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.900 -3.921 1.088 1.00 0.00 H new ATOM 975 N THR A 62 -2.375 0.806 0.702 1.00 0.00 N ATOM 976 CA THR A 62 -1.373 1.811 0.384 1.00 0.00 C ATOM 977 C THR A 62 -0.589 2.195 1.641 1.00 0.00 C ATOM 978 O THR A 62 -1.091 2.063 2.755 1.00 0.00 O ATOM 979 CB THR A 62 -2.084 2.995 -0.274 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.802 3.606 0.794 1.00 0.00 O ATOM 981 CG2 THR A 62 -3.175 2.553 -1.252 1.00 0.00 C ATOM 0 H THR A 62 -3.159 1.146 1.259 1.00 0.00 H new ATOM 0 HA THR A 62 -0.634 1.426 -0.319 1.00 0.00 H new ATOM 0 HB THR A 62 -1.354 3.611 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.758 3.410 0.700 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.648 3.432 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.732 1.947 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.924 1.965 -0.721 1.00 0.00 H new ATOM 989 N VAL A 63 0.631 2.661 1.417 1.00 0.00 N ATOM 990 CA VAL A 63 1.490 3.065 2.516 1.00 0.00 C ATOM 991 C VAL A 63 1.983 4.493 2.274 1.00 0.00 C ATOM 992 O VAL A 63 2.325 4.854 1.150 1.00 0.00 O ATOM 993 CB VAL A 63 2.633 2.060 2.685 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.858 2.723 3.316 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.180 0.851 3.506 1.00 0.00 C ATOM 0 H VAL A 63 1.044 2.768 0.491 1.00 0.00 H new ATOM 0 HA VAL A 63 0.934 3.066 3.454 1.00 0.00 H new ATOM 0 HB VAL A 63 2.918 1.706 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.655 1.987 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.201 3.537 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.593 3.118 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.009 0.152 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.856 1.182 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.351 0.357 2.999 1.00 0.00 H new ATOM 1005 N ALA A 64 2.004 5.268 3.349 1.00 0.00 N ATOM 1006 CA ALA A 64 2.449 6.648 3.269 1.00 0.00 C ATOM 1007 C ALA A 64 3.397 6.944 4.432 1.00 0.00 C ATOM 1008 O ALA A 64 3.117 6.582 5.573 1.00 0.00 O ATOM 1009 CB ALA A 64 1.234 7.578 3.257 1.00 0.00 C ATOM 0 H ALA A 64 1.720 4.965 4.281 1.00 0.00 H new ATOM 0 HA ALA A 64 3.000 6.819 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.569 8.614 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.609 7.348 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.658 7.436 4.171 1.00 0.00 H new ATOM 1015 N SER A 65 4.501 7.599 4.102 1.00 0.00 N ATOM 1016 CA SER A 65 5.493 7.945 5.105 1.00 0.00 C ATOM 1017 C SER A 65 5.462 9.452 5.374 1.00 0.00 C ATOM 1018 O SER A 65 5.901 10.243 4.541 1.00 0.00 O ATOM 1019 CB SER A 65 6.895 7.514 4.668 1.00 0.00 C ATOM 1020 OG SER A 65 6.908 6.184 4.157 1.00 0.00 O ATOM 0 H SER A 65 4.730 7.899 3.154 1.00 0.00 H new ATOM 0 HA SER A 65 5.249 7.412 6.024 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.264 8.199 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.577 7.584 5.516 1.00 0.00 H new ATOM 0 HG SER A 65 7.777 6.001 3.742 1.00 0.00 H new ATOM 1026 N PRO A 66 4.924 9.812 6.570 1.00 0.00 N ATOM 1027 CA PRO A 66 4.829 11.209 6.957 1.00 0.00 C ATOM 1028 C PRO A 66 6.196 11.757 7.367 1.00 0.00 C ATOM 1029 O PRO A 66 6.955 11.087 8.068 1.00 0.00 O ATOM 1030 CB PRO A 66 3.815 11.235 8.089 1.00 0.00 C ATOM 1031 CG PRO A 66 3.728 9.807 8.604 1.00 0.00 C ATOM 1032 CD PRO A 66 4.395 8.902 7.580 1.00 0.00 C ATOM 0 HA PRO A 66 4.508 11.852 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.129 11.917 8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.844 11.583 7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.223 9.719 9.571 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.688 9.516 8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.189 8.309 8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.682 8.201 7.147 1.00 0.00 H new ATOM 1040 N GLY A 67 6.472 12.972 6.914 1.00 0.00 N ATOM 1041 CA GLY A 67 7.735 13.619 7.226 1.00 0.00 C ATOM 1042 C GLY A 67 8.904 12.889 6.561 1.00 0.00 C ATOM 1043 O GLY A 67 10.065 13.195 6.827 1.00 0.00 O ATOM 0 H GLY A 67 5.842 13.525 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.710 14.655 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.881 13.638 8.306 1.00 0.00 H new ATOM 1047 N PHE A 68 8.556 11.936 5.706 1.00 0.00 N ATOM 1048 CA PHE A 68 9.562 11.160 5.001 1.00 0.00 C ATOM 1049 C PHE A 68 9.365 11.255 3.488 1.00 0.00 C ATOM 1050 O PHE A 68 8.253 11.085 2.990 1.00 0.00 O ATOM 1051 CB PHE A 68 9.387 9.704 5.435 1.00 0.00 C ATOM 1052 CG PHE A 68 10.522 8.781 4.986 1.00 0.00 C ATOM 1053 CD1 PHE A 68 11.688 8.743 5.688 1.00 0.00 C ATOM 1054 CD2 PHE A 68 10.366 7.998 3.886 1.00 0.00 C ATOM 1055 CE1 PHE A 68 12.740 7.886 5.270 1.00 0.00 C ATOM 1056 CE2 PHE A 68 11.419 7.142 3.468 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.584 7.104 4.168 1.00 0.00 C ATOM 0 H PHE A 68 7.592 11.685 5.487 1.00 0.00 H new ATOM 0 HA PHE A 68 10.557 11.538 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.310 9.666 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.446 9.327 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.813 9.364 6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.441 8.027 3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.665 7.855 5.827 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.294 6.521 2.593 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.385 6.453 3.849 1.00 0.00 H new ATOM 1067 N LEU A 69 10.462 11.527 2.796 1.00 0.00 N ATOM 1068 CA LEU A 69 10.423 11.645 1.348 1.00 0.00 C ATOM 1069 C LEU A 69 9.799 12.989 0.968 1.00 0.00 C ATOM 1070 O LEU A 69 9.175 13.112 -0.085 1.00 0.00 O ATOM 1071 CB LEU A 69 9.714 10.440 0.730 1.00 0.00 C ATOM 1072 CG LEU A 69 10.558 9.571 -0.205 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.135 10.401 -1.353 1.00 0.00 C ATOM 1074 CD2 LEU A 69 11.650 8.831 0.571 1.00 0.00 C ATOM 0 H LEU A 69 11.383 11.669 3.211 1.00 0.00 H new ATOM 0 HA LEU A 69 11.433 11.634 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.338 9.811 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.847 10.799 0.176 1.00 0.00 H new ATOM 0 HG LEU A 69 9.909 8.816 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.730 9.759 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.321 10.843 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.765 11.193 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.235 8.221 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.303 9.554 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.191 8.190 1.324 1.00 0.00 H new ATOM 1086 N HIS A 70 9.987 13.962 1.847 1.00 0.00 N ATOM 1087 CA HIS A 70 9.448 15.293 1.616 1.00 0.00 C ATOM 1088 C HIS A 70 7.922 15.222 1.533 1.00 0.00 C ATOM 1089 O HIS A 70 7.288 16.098 0.948 1.00 0.00 O ATOM 1090 CB HIS A 70 10.081 15.928 0.376 1.00 0.00 C ATOM 1091 CG HIS A 70 10.918 17.149 0.670 1.00 0.00 C ATOM 1092 ND1 HIS A 70 12.021 17.503 -0.089 1.00 0.00 N ATOM 1093 CD2 HIS A 70 10.802 18.095 1.645 1.00 0.00 C ATOM 1094 CE1 HIS A 70 12.537 18.613 0.417 1.00 0.00 C ATOM 1095 NE2 HIS A 70 11.781 18.978 1.493 1.00 0.00 N ATOM 0 H HIS A 70 10.504 13.856 2.720 1.00 0.00 H new ATOM 0 HA HIS A 70 9.701 15.942 2.454 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.704 15.185 -0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.291 16.202 -0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.042 18.121 2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.404 19.137 0.043 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.942 19.794 2.083 1.00 0.00 H new ATOM 1104 N GLU A 71 7.378 14.171 2.127 1.00 0.00 N ATOM 1105 CA GLU A 71 5.938 13.974 2.129 1.00 0.00 C ATOM 1106 C GLU A 71 5.309 14.667 3.339 1.00 0.00 C ATOM 1107 O GLU A 71 5.976 14.890 4.348 1.00 0.00 O ATOM 1108 CB GLU A 71 5.588 12.485 2.106 1.00 0.00 C ATOM 1109 CG GLU A 71 4.657 12.159 0.937 1.00 0.00 C ATOM 1110 CD GLU A 71 3.196 12.427 1.309 1.00 0.00 C ATOM 1111 OE1 GLU A 71 2.782 13.591 1.398 1.00 0.00 O ATOM 1112 OE2 GLU A 71 2.482 11.370 1.510 1.00 0.00 O ATOM 0 H GLU A 71 7.908 13.446 2.611 1.00 0.00 H new ATOM 0 HA GLU A 71 5.528 14.423 1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.501 11.894 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.110 12.205 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.932 12.760 0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.778 11.114 0.652 1.00 0.00 H new ATOM 1120 N LYS A 72 4.031 14.987 3.198 1.00 0.00 N ATOM 1121 CA LYS A 72 3.304 15.650 4.268 1.00 0.00 C ATOM 1122 C LYS A 72 3.688 15.019 5.607 1.00 0.00 C ATOM 1123 O LYS A 72 3.763 13.797 5.723 1.00 0.00 O ATOM 1124 CB LYS A 72 1.800 15.629 3.986 1.00 0.00 C ATOM 1125 CG LYS A 72 1.432 16.638 2.897 1.00 0.00 C ATOM 1126 CD LYS A 72 1.249 18.038 3.486 1.00 0.00 C ATOM 1127 CE LYS A 72 1.096 19.083 2.378 1.00 0.00 C ATOM 1128 NZ LYS A 72 1.140 20.449 2.946 1.00 0.00 N ATOM 0 H LYS A 72 3.481 14.800 2.360 1.00 0.00 H new ATOM 0 HA LYS A 72 3.580 16.703 4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.498 14.628 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.252 15.859 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.213 16.659 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.513 16.325 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.369 18.054 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.106 18.288 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.892 18.962 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.153 18.931 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.035 21.146 2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.365 20.566 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.051 20.596 3.426 1.00 0.00 H new ATOM 1141 N LYS A 73 3.920 15.881 6.586 1.00 0.00 N ATOM 1142 CA LYS A 73 4.296 15.423 7.913 1.00 0.00 C ATOM 1143 C LYS A 73 3.059 14.871 8.625 1.00 0.00 C ATOM 1144 O LYS A 73 1.932 15.117 8.198 1.00 0.00 O ATOM 1145 CB LYS A 73 5.004 16.537 8.685 1.00 0.00 C ATOM 1146 CG LYS A 73 6.219 15.995 9.440 1.00 0.00 C ATOM 1147 CD LYS A 73 6.256 16.526 10.874 1.00 0.00 C ATOM 1148 CE LYS A 73 7.528 16.075 11.594 1.00 0.00 C ATOM 1149 NZ LYS A 73 7.256 15.845 13.030 1.00 0.00 N ATOM 0 H LYS A 73 3.855 16.894 6.487 1.00 0.00 H new ATOM 0 HA LYS A 73 5.017 14.608 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.320 17.319 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.309 16.995 9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.187 14.906 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.133 16.281 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.207 17.615 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.381 16.172 11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.906 15.160 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.305 16.832 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.130 15.539 13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.916 16.727 13.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.530 15.107 13.132 1.00 0.00 H new ATOM 1162 N ASP A 74 3.312 14.138 9.699 1.00 0.00 N ATOM 1163 CA ASP A 74 2.233 13.550 10.476 1.00 0.00 C ATOM 1164 C ASP A 74 1.213 14.636 10.828 1.00 0.00 C ATOM 1165 O ASP A 74 1.580 15.791 11.040 1.00 0.00 O ATOM 1166 CB ASP A 74 2.757 12.952 11.783 1.00 0.00 C ATOM 1167 CG ASP A 74 1.716 12.822 12.896 1.00 0.00 C ATOM 1168 OD1 ASP A 74 1.688 13.624 13.842 1.00 0.00 O ATOM 1169 OD2 ASP A 74 0.899 11.833 12.766 1.00 0.00 O ATOM 0 H ASP A 74 4.248 13.937 10.050 1.00 0.00 H new ATOM 0 HA ASP A 74 1.777 12.762 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.169 11.965 11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.579 13.570 12.145 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.045 14.227 10.878 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.120 15.150 11.201 1.00 0.00 C ATOM 1177 C GLY A 75 -1.588 15.904 9.955 1.00 0.00 C ATOM 1178 O GLY A 75 -2.789 16.041 9.723 1.00 0.00 O ATOM 0 H GLY A 75 -0.345 13.268 10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.957 14.602 11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.780 15.861 11.954 1.00 0.00 H new ATOM 1182 N ASP A 76 -0.617 16.372 9.184 1.00 0.00 N ATOM 1183 CA ASP A 76 -0.915 17.106 7.968 1.00 0.00 C ATOM 1184 C ASP A 76 -1.539 16.159 6.943 1.00 0.00 C ATOM 1185 O ASP A 76 -2.634 16.412 6.445 1.00 0.00 O ATOM 1186 CB ASP A 76 0.357 17.695 7.355 1.00 0.00 C ATOM 1187 CG ASP A 76 0.543 19.199 7.566 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -0.401 19.988 7.403 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.731 19.558 7.918 1.00 0.00 O ATOM 0 H ASP A 76 0.377 16.256 9.379 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.601 17.914 8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.218 17.176 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.353 17.492 6.284 1.00 0.00 H new ATOM 1195 N PHE A 77 -0.814 15.086 6.658 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.283 14.098 5.701 1.00 0.00 C ATOM 1197 C PHE A 77 -2.654 13.552 6.105 1.00 0.00 C ATOM 1198 O PHE A 77 -3.429 13.120 5.253 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.269 12.953 5.709 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.529 11.886 4.643 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -1.323 10.819 4.928 1.00 0.00 C ATOM 1202 CD2 PHE A 77 0.034 12.004 3.410 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -1.563 9.829 3.938 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -0.207 11.016 2.421 1.00 0.00 C ATOM 1205 CZ PHE A 77 -1.000 9.947 2.706 1.00 0.00 C ATOM 0 H PHE A 77 0.095 14.880 7.073 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.378 14.551 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.730 13.364 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.277 12.481 6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.771 10.725 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.665 12.851 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.193 8.982 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.239 11.112 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.182 9.193 1.954 1.00 0.00 H new ATOM 1215 N GLN A 78 -2.912 13.591 7.405 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.176 13.104 7.931 1.00 0.00 C ATOM 1217 C GLN A 78 -5.300 14.094 7.612 1.00 0.00 C ATOM 1218 O GLN A 78 -6.454 13.699 7.456 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.082 12.849 9.436 1.00 0.00 C ATOM 1220 CG GLN A 78 -2.737 12.218 9.802 1.00 0.00 C ATOM 1221 CD GLN A 78 -2.749 11.696 11.239 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -1.929 12.061 12.066 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -3.720 10.823 11.490 1.00 0.00 N ATOM 0 H GLN A 78 -2.268 13.952 8.108 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.406 12.154 7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.206 13.788 9.976 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.893 12.192 9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.516 11.400 9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.942 12.955 9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.373 10.561 10.752 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.812 10.416 12.421 1.00 0.00 H new ATOM 1232 N LYS A 79 -4.921 15.362 7.526 1.00 0.00 N ATOM 1233 CA LYS A 79 -5.881 16.410 7.229 1.00 0.00 C ATOM 1234 C LYS A 79 -6.210 16.388 5.735 1.00 0.00 C ATOM 1235 O LYS A 79 -7.331 16.701 5.337 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.368 17.764 7.725 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.235 18.294 8.868 1.00 0.00 C ATOM 1238 CD LYS A 79 -6.159 19.820 8.952 1.00 0.00 C ATOM 1239 CE LYS A 79 -5.325 20.262 10.157 1.00 0.00 C ATOM 1240 NZ LYS A 79 -4.158 21.058 9.716 1.00 0.00 N ATOM 0 H LYS A 79 -3.963 15.686 7.657 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.814 16.233 7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.336 17.664 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.367 18.480 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.270 17.986 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.906 17.857 9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.720 20.217 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.164 20.234 9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.940 20.853 10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.987 19.388 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.603 21.350 10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.563 20.482 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.487 21.902 9.205 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.211 16.015 4.948 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.380 15.947 3.506 1.00 0.00 C ATOM 1255 C TRP A 80 -6.395 14.845 3.200 1.00 0.00 C ATOM 1256 O TRP A 80 -7.313 15.045 2.405 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.036 15.731 2.807 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.113 15.792 1.280 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -4.979 15.165 0.472 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -3.249 16.549 0.405 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -4.739 15.462 -0.855 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -3.654 16.330 -0.897 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -2.164 17.389 0.703 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -3.029 16.916 -2.002 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -1.549 17.968 -0.414 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -1.943 17.757 -1.730 1.00 0.00 C ATOM 0 H TRP A 80 -4.282 15.757 5.281 1.00 0.00 H new ATOM 0 HA TRP A 80 -5.763 16.891 3.118 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.331 16.486 3.156 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.636 14.761 3.102 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -5.766 14.510 0.816 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.262 15.109 -1.657 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.830 17.574 1.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.366 16.730 -3.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.709 18.625 -0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.414 18.239 -2.539 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.548 3.142 1.298 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.379 1.984 0.435 1.00 0.00 C ATOM 1385 C LYS A 88 -11.964 1.988 -0.145 1.00 0.00 C ATOM 1386 O LYS A 88 -11.680 1.276 -1.107 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.479 1.943 -0.628 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.801 1.457 -0.031 1.00 0.00 C ATOM 1389 CD LYS A 88 -15.861 -0.071 0.000 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.212 -0.557 0.528 1.00 0.00 C ATOM 1391 NZ LYS A 88 -17.163 -2.006 0.821 1.00 0.00 N ATOM 0 HA LYS A 88 -13.487 1.063 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.613 2.936 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.179 1.283 -1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.913 1.849 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.633 1.845 -0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.695 -0.465 -1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.060 -0.457 0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.476 -0.006 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.991 -0.355 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.088 -2.319 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.933 -2.528 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.434 -2.190 1.539 1.00 0.00 H new ATOM 1404 N LEU A 89 -11.110 2.798 0.465 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.730 2.904 0.023 1.00 0.00 C ATOM 1406 C LEU A 89 -8.799 2.680 1.216 1.00 0.00 C ATOM 1407 O LEU A 89 -8.857 3.416 2.200 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.500 4.233 -0.697 1.00 0.00 C ATOM 1409 CG LEU A 89 -8.060 4.748 -0.712 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -7.147 3.801 -1.497 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.993 6.179 -1.246 1.00 0.00 C ATOM 0 H LEU A 89 -11.348 3.387 1.263 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.502 2.129 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.838 4.128 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.131 4.990 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.696 4.771 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.129 4.190 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.161 2.815 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.501 3.723 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.958 6.519 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.383 6.206 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.590 6.833 -0.610 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.938 1.635 1.084 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.995 1.307 2.139 1.00 0.00 C ATOM 1425 C PRO A 90 -5.834 2.303 2.167 1.00 0.00 C ATOM 1426 O PRO A 90 -5.191 2.542 1.146 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.549 -0.115 1.838 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.898 -0.363 0.380 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.841 0.743 -0.067 1.00 0.00 C ATOM 0 HA PRO A 90 -7.437 1.371 3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.479 -0.233 2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.056 -0.829 2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.997 -0.367 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.370 -1.338 0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.452 1.265 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.817 0.344 -0.342 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.602 2.859 3.347 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.530 3.824 3.522 1.00 0.00 C ATOM 1439 C VAL A 91 -3.770 3.507 4.811 1.00 0.00 C ATOM 1440 O VAL A 91 -4.366 3.430 5.885 1.00 0.00 O ATOM 1441 CB VAL A 91 -5.096 5.245 3.496 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -4.013 6.272 3.828 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -5.747 5.551 2.145 1.00 0.00 C ATOM 0 H VAL A 91 -6.138 2.660 4.191 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.818 3.757 2.700 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.868 5.313 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.442 7.274 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.615 6.073 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.209 6.203 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.141 6.567 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.004 5.456 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.560 4.848 1.965 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.465 3.333 4.663 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.616 3.026 5.804 1.00 0.00 C ATOM 1455 C VAL A 92 -0.531 4.099 5.929 1.00 0.00 C ATOM 1456 O VAL A 92 0.124 4.441 4.947 1.00 0.00 O ATOM 1457 CB VAL A 92 -1.047 1.614 5.667 1.00 0.00 C ATOM 1458 CG1 VAL A 92 -0.222 1.234 6.898 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -2.162 0.595 5.420 1.00 0.00 C ATOM 0 H VAL A 92 -1.974 3.398 3.771 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.196 3.040 6.727 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.384 1.603 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.171 0.225 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.605 1.935 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.854 1.271 7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.730 -0.401 5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.861 0.610 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.690 0.849 4.501 1.00 0.00 H new ATOM 1469 N THR A 93 -0.376 4.599 7.147 1.00 0.00 N ATOM 1470 CA THR A 93 0.617 5.623 7.413 1.00 0.00 C ATOM 1471 C THR A 93 1.665 5.107 8.402 1.00 0.00 C ATOM 1472 O THR A 93 1.338 4.778 9.542 1.00 0.00 O ATOM 1473 CB THR A 93 -0.114 6.876 7.901 1.00 0.00 C ATOM 1474 OG1 THR A 93 -1.141 6.369 8.751 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.876 7.585 6.780 1.00 0.00 C ATOM 0 H THR A 93 -0.922 4.313 7.960 1.00 0.00 H new ATOM 0 HA THR A 93 1.169 5.882 6.509 1.00 0.00 H new ATOM 0 HB THR A 93 0.605 7.566 8.343 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.771 5.671 9.331 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.376 8.467 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.177 7.887 6.000 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.618 6.907 6.359 1.00 0.00 H new ATOM 1483 N ASP A 94 2.901 5.053 7.930 1.00 0.00 N ATOM 1484 CA ASP A 94 3.998 4.583 8.758 1.00 0.00 C ATOM 1485 C ASP A 94 4.978 5.733 9.001 1.00 0.00 C ATOM 1486 O ASP A 94 5.659 6.177 8.079 1.00 0.00 O ATOM 1487 CB ASP A 94 4.761 3.450 8.069 1.00 0.00 C ATOM 1488 CG ASP A 94 5.967 2.916 8.847 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.351 3.468 9.889 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.527 1.874 8.334 1.00 0.00 O ATOM 0 H ASP A 94 3.167 5.327 6.984 1.00 0.00 H new ATOM 0 HA ASP A 94 3.580 4.219 9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.071 2.626 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.102 3.801 7.095 1.00 0.00 H new ATOM 1496 N ASN A 95 5.017 6.180 10.248 1.00 0.00 N ATOM 1497 CA ASN A 95 5.902 7.271 10.624 1.00 0.00 C ATOM 1498 C ASN A 95 7.352 6.860 10.357 1.00 0.00 C ATOM 1499 O ASN A 95 7.831 5.870 10.909 1.00 0.00 O ATOM 1500 CB ASN A 95 5.770 7.599 12.112 1.00 0.00 C ATOM 1501 CG ASN A 95 6.398 8.956 12.432 1.00 0.00 C ATOM 1502 OD1 ASN A 95 7.430 9.332 11.902 1.00 0.00 O ATOM 1503 ND2 ASN A 95 5.721 9.668 13.327 1.00 0.00 N ATOM 0 H ASN A 95 4.451 5.807 11.010 1.00 0.00 H new ATOM 0 HA ASN A 95 5.627 8.147 10.036 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.717 7.606 12.395 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.254 6.822 12.704 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.059 10.588 13.608 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.863 9.294 13.733 1.00 0.00 H new ATOM 1510 N GLY A 96 8.009 7.640 9.512 1.00 0.00 N ATOM 1511 CA GLY A 96 9.394 7.370 9.166 1.00 0.00 C ATOM 1512 C GLY A 96 9.485 6.387 7.998 1.00 0.00 C ATOM 1513 O GLY A 96 10.532 6.266 7.363 1.00 0.00 O ATOM 0 H GLY A 96 7.608 8.460 9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.895 8.301 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.916 6.962 10.031 1.00 0.00 H new ATOM 1517 N GLY A 97 8.374 5.709 7.748 1.00 0.00 N ATOM 1518 CA GLY A 97 8.315 4.740 6.667 1.00 0.00 C ATOM 1519 C GLY A 97 9.275 3.576 6.921 1.00 0.00 C ATOM 1520 O GLY A 97 10.188 3.337 6.132 1.00 0.00 O ATOM 0 H GLY A 97 7.507 5.812 8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.297 4.362 6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.568 5.226 5.724 1.00 0.00 H new ATOM 1524 N THR A 98 9.036 2.883 8.025 1.00 0.00 N ATOM 1525 CA THR A 98 9.869 1.751 8.392 1.00 0.00 C ATOM 1526 C THR A 98 9.888 0.716 7.267 1.00 0.00 C ATOM 1527 O THR A 98 10.939 0.163 6.944 1.00 0.00 O ATOM 1528 CB THR A 98 9.350 1.196 9.720 1.00 0.00 C ATOM 1529 OG1 THR A 98 9.912 2.062 10.703 1.00 0.00 O ATOM 1530 CG2 THR A 98 9.941 -0.176 10.052 1.00 0.00 C ATOM 0 H THR A 98 8.278 3.084 8.677 1.00 0.00 H new ATOM 0 HA THR A 98 10.908 2.051 8.531 1.00 0.00 H new ATOM 0 HB THR A 98 8.263 1.124 9.683 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.625 1.775 11.595 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.540 -0.524 11.004 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.679 -0.885 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.026 -0.097 10.122 1.00 0.00 H new ATOM 1538 N ILE A 99 8.713 0.483 6.700 1.00 0.00 N ATOM 1539 CA ILE A 99 8.581 -0.476 5.617 1.00 0.00 C ATOM 1540 C ILE A 99 9.271 0.074 4.367 1.00 0.00 C ATOM 1541 O ILE A 99 9.883 -0.679 3.609 1.00 0.00 O ATOM 1542 CB ILE A 99 7.111 -0.840 5.399 1.00 0.00 C ATOM 1543 CG1 ILE A 99 6.501 -1.444 6.664 1.00 0.00 C ATOM 1544 CG2 ILE A 99 6.948 -1.762 4.188 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.284 -0.640 7.125 1.00 0.00 C ATOM 0 H ILE A 99 7.844 0.942 6.971 1.00 0.00 H new ATOM 0 HA ILE A 99 9.082 -1.410 5.873 1.00 0.00 H new ATOM 0 HB ILE A 99 6.562 0.076 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.208 -2.476 6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.248 -1.466 7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.894 -2.005 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.319 -1.259 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.515 -2.679 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.870 -1.092 8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.585 0.386 7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.529 -0.640 6.339 1.00 0.00 H new ATOM 1557 N ALA A 100 9.148 1.381 4.189 1.00 0.00 N ATOM 1558 CA ALA A 100 9.753 2.041 3.044 1.00 0.00 C ATOM 1559 C ALA A 100 11.276 1.999 3.183 1.00 0.00 C ATOM 1560 O ALA A 100 11.987 1.820 2.195 1.00 0.00 O ATOM 1561 CB ALA A 100 9.216 3.470 2.936 1.00 0.00 C ATOM 0 H ALA A 100 8.638 2.001 4.818 1.00 0.00 H new ATOM 0 HA ALA A 100 9.492 1.524 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.670 3.965 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.134 3.443 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.462 4.021 3.844 1.00 0.00 H new ATOM 1567 N GLN A 101 11.732 2.169 4.415 1.00 0.00 N ATOM 1568 CA GLN A 101 13.157 2.153 4.695 1.00 0.00 C ATOM 1569 C GLN A 101 13.665 0.712 4.784 1.00 0.00 C ATOM 1570 O GLN A 101 14.780 0.416 4.356 1.00 0.00 O ATOM 1571 CB GLN A 101 13.474 2.925 5.977 1.00 0.00 C ATOM 1572 CG GLN A 101 13.839 4.378 5.666 1.00 0.00 C ATOM 1573 CD GLN A 101 14.874 4.908 6.661 1.00 0.00 C ATOM 1574 OE1 GLN A 101 14.951 4.482 7.801 1.00 0.00 O ATOM 1575 NE2 GLN A 101 15.663 5.858 6.166 1.00 0.00 N ATOM 0 H GLN A 101 11.139 2.319 5.231 1.00 0.00 H new ATOM 0 HA GLN A 101 13.673 2.650 3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.613 2.898 6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.299 2.443 6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 101 14.234 4.449 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.943 4.998 5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 101 15.544 6.168 5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 101 16.387 6.276 6.751 1.00 0.00 H new ATOM 1584 N SER A 102 12.822 -0.145 5.338 1.00 0.00 N ATOM 1585 CA SER A 102 13.170 -1.548 5.489 1.00 0.00 C ATOM 1586 C SER A 102 13.431 -2.172 4.116 1.00 0.00 C ATOM 1587 O SER A 102 14.368 -2.950 3.952 1.00 0.00 O ATOM 1588 CB SER A 102 12.067 -2.314 6.221 1.00 0.00 C ATOM 1589 OG SER A 102 12.311 -2.393 7.623 1.00 0.00 O ATOM 0 H SER A 102 11.897 0.105 5.689 1.00 0.00 H new ATOM 0 HA SER A 102 14.078 -1.613 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.109 -1.824 6.047 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.990 -3.320 5.809 1.00 0.00 H new ATOM 0 HG SER A 102 11.973 -1.583 8.060 1.00 0.00 H new ATOM 1595 N LEU A 103 12.583 -1.806 3.166 1.00 0.00 N ATOM 1596 CA LEU A 103 12.710 -2.321 1.812 1.00 0.00 C ATOM 1597 C LEU A 103 13.710 -1.461 1.036 1.00 0.00 C ATOM 1598 O LEU A 103 14.253 -1.899 0.023 1.00 0.00 O ATOM 1599 CB LEU A 103 11.336 -2.417 1.146 1.00 0.00 C ATOM 1600 CG LEU A 103 10.522 -3.673 1.468 1.00 0.00 C ATOM 1601 CD1 LEU A 103 9.056 -3.491 1.069 1.00 0.00 C ATOM 1602 CD2 LEU A 103 11.143 -4.910 0.817 1.00 0.00 C ATOM 0 H LEU A 103 11.806 -1.160 3.306 1.00 0.00 H new ATOM 0 HA LEU A 103 13.105 -3.337 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.751 -1.544 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.473 -2.363 0.066 1.00 0.00 H new ATOM 0 HG LEU A 103 10.546 -3.830 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.499 -4.397 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.632 -2.649 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.992 -3.297 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.546 -5.788 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.168 -4.778 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 103 12.158 -5.046 1.190 1.00 0.00 H new ATOM 1614 N ASN A 104 13.923 -0.256 1.541 1.00 0.00 N ATOM 1615 CA ASN A 104 14.849 0.669 0.908 1.00 0.00 C ATOM 1616 C ASN A 104 14.286 1.100 -0.447 1.00 0.00 C ATOM 1617 O ASN A 104 14.961 0.990 -1.468 1.00 0.00 O ATOM 1618 CB ASN A 104 16.208 0.008 0.666 1.00 0.00 C ATOM 1619 CG ASN A 104 17.262 1.046 0.279 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.900 1.663 1.117 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.409 1.205 -1.033 1.00 0.00 N ATOM 0 H ASN A 104 13.470 0.102 2.382 1.00 0.00 H new ATOM 0 HA ASN A 104 14.976 1.525 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.525 -0.519 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.118 -0.737 -0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.088 1.876 -1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.843 0.656 -1.680 1.00 0.00 H new ATOM 1628 N ILE A 105 13.052 1.583 -0.412 1.00 0.00 N ATOM 1629 CA ILE A 105 12.389 2.032 -1.625 1.00 0.00 C ATOM 1630 C ILE A 105 12.741 3.500 -1.879 1.00 0.00 C ATOM 1631 O ILE A 105 13.555 3.804 -2.750 1.00 0.00 O ATOM 1632 CB ILE A 105 10.885 1.765 -1.543 1.00 0.00 C ATOM 1633 CG1 ILE A 105 10.601 0.437 -0.840 1.00 0.00 C ATOM 1634 CG2 ILE A 105 10.241 1.829 -2.929 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.103 0.126 -0.839 1.00 0.00 C ATOM 0 H ILE A 105 12.494 1.673 0.437 1.00 0.00 H new ATOM 0 HA ILE A 105 12.743 1.465 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 105 10.431 2.551 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.142 -0.366 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 105 10.968 0.479 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 105 9.172 1.636 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 105 10.397 2.819 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.694 1.078 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 105 8.929 -0.824 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 105 8.567 0.919 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.744 0.061 -1.866 1.00 0.00 H new ATOM 1647 N SER A 106 12.111 4.369 -1.104 1.00 0.00 N ATOM 1648 CA SER A 106 12.347 5.796 -1.235 1.00 0.00 C ATOM 1649 C SER A 106 12.004 6.256 -2.654 1.00 0.00 C ATOM 1650 O SER A 106 12.554 7.243 -3.141 1.00 0.00 O ATOM 1651 CB SER A 106 13.797 6.148 -0.898 1.00 0.00 C ATOM 1652 OG SER A 106 14.318 5.327 0.143 1.00 0.00 O ATOM 0 H SER A 106 11.437 4.112 -0.383 1.00 0.00 H new ATOM 0 HA SER A 106 11.702 6.315 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.414 6.037 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.856 7.194 -0.598 1.00 0.00 H new ATOM 0 HG SER A 106 15.246 5.582 0.327 1.00 0.00 H new ATOM 1658 N VAL A 107 11.099 5.517 -3.278 1.00 0.00 N ATOM 1659 CA VAL A 107 10.678 5.837 -4.631 1.00 0.00 C ATOM 1660 C VAL A 107 9.209 5.444 -4.810 1.00 0.00 C ATOM 1661 O VAL A 107 8.812 4.336 -4.454 1.00 0.00 O ATOM 1662 CB VAL A 107 11.604 5.158 -5.642 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.805 3.681 -5.297 1.00 0.00 C ATOM 1664 CG2 VAL A 107 11.073 5.320 -7.067 1.00 0.00 C ATOM 0 H VAL A 107 10.646 4.698 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 107 10.753 6.910 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 107 12.575 5.650 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.467 3.223 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.249 3.596 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.842 3.170 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.750 4.828 -7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.084 4.867 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.006 6.380 -7.312 1.00 0.00 H new ATOM 1674 N TYR A 108 8.444 6.374 -5.360 1.00 0.00 N ATOM 1675 CA TYR A 108 7.028 6.140 -5.589 1.00 0.00 C ATOM 1676 C TYR A 108 6.632 6.529 -7.015 1.00 0.00 C ATOM 1677 O TYR A 108 7.252 7.402 -7.620 1.00 0.00 O ATOM 1678 CB TYR A 108 6.285 7.043 -4.603 1.00 0.00 C ATOM 1679 CG TYR A 108 6.728 6.872 -3.148 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.049 5.619 -2.667 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.808 7.972 -2.318 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.466 5.459 -1.298 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.224 7.810 -0.949 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.534 6.562 -0.507 1.00 0.00 C ATOM 1685 OH TYR A 108 7.926 6.411 0.786 1.00 0.00 O ATOM 0 H TYR A 108 8.777 7.292 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 108 6.787 5.086 -5.453 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.431 8.082 -4.897 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.217 6.839 -4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.987 4.759 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.559 8.953 -2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.719 4.484 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.288 8.661 -0.288 1.00 0.00 H new ATOM 0 HH TYR A 108 7.929 7.284 1.231 1.00 0.00 H new ATOM 1695 N PRO A 109 5.574 5.841 -7.526 1.00 0.00 N ATOM 1696 CA PRO A 109 4.897 4.822 -6.743 1.00 0.00 C ATOM 1697 C PRO A 109 5.734 3.544 -6.665 1.00 0.00 C ATOM 1698 O PRO A 109 6.747 3.419 -7.351 1.00 0.00 O ATOM 1699 CB PRO A 109 3.561 4.616 -7.437 1.00 0.00 C ATOM 1700 CG PRO A 109 3.728 5.183 -8.838 1.00 0.00 C ATOM 1701 CD PRO A 109 4.998 6.018 -8.855 1.00 0.00 C ATOM 0 HA PRO A 109 4.750 5.118 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.298 3.559 -7.472 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.760 5.126 -6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.791 4.378 -9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.866 5.793 -9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.684 5.680 -9.632 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.780 7.067 -9.056 1.00 0.00 H new ATOM 1709 N SER A 110 5.279 2.626 -5.824 1.00 0.00 N ATOM 1710 CA SER A 110 5.974 1.363 -5.648 1.00 0.00 C ATOM 1711 C SER A 110 4.987 0.281 -5.205 1.00 0.00 C ATOM 1712 O SER A 110 3.904 0.589 -4.708 1.00 0.00 O ATOM 1713 CB SER A 110 7.108 1.494 -4.630 1.00 0.00 C ATOM 1714 OG SER A 110 8.381 1.225 -5.213 1.00 0.00 O ATOM 0 H SER A 110 4.438 2.732 -5.257 1.00 0.00 H new ATOM 0 HA SER A 110 6.412 1.078 -6.605 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.106 2.501 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.935 0.805 -3.803 1.00 0.00 H new ATOM 0 HG SER A 110 8.728 0.377 -4.864 1.00 0.00 H new ATOM 1720 N TRP A 111 5.394 -0.964 -5.402 1.00 0.00 N ATOM 1721 CA TRP A 111 4.560 -2.093 -5.029 1.00 0.00 C ATOM 1722 C TRP A 111 5.421 -3.074 -4.230 1.00 0.00 C ATOM 1723 O TRP A 111 6.580 -3.307 -4.569 1.00 0.00 O ATOM 1724 CB TRP A 111 3.915 -2.730 -6.262 1.00 0.00 C ATOM 1725 CG TRP A 111 2.845 -1.861 -6.924 1.00 0.00 C ATOM 1726 CD1 TRP A 111 2.963 -0.601 -7.367 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.480 -2.238 -7.200 1.00 0.00 C ATOM 1728 NE1 TRP A 111 1.779 -0.142 -7.907 1.00 0.00 N ATOM 1729 CE2 TRP A 111 0.849 -1.169 -7.803 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.801 -3.444 -6.950 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.492 -1.199 -8.205 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.538 -3.457 -7.358 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.188 -2.390 -7.966 1.00 0.00 C ATOM 0 H TRP A 111 6.292 -1.216 -5.816 1.00 0.00 H new ATOM 0 HA TRP A 111 3.730 -1.768 -4.402 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.693 -2.950 -6.993 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.469 -3.682 -5.975 1.00 0.00 H new ATOM 0 HD1 TRP A 111 3.871 -0.019 -7.309 1.00 0.00 H new ATOM 0 HE1 TRP A 111 1.616 0.781 -8.309 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.275 -4.293 -6.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.964 -0.349 -8.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.106 -4.360 -7.188 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.225 -2.479 -8.253 1.00 0.00 H new ATOM 1744 N ALA A 112 4.821 -3.624 -3.184 1.00 0.00 N ATOM 1745 CA ALA A 112 5.518 -4.575 -2.335 1.00 0.00 C ATOM 1746 C ALA A 112 4.589 -5.749 -2.023 1.00 0.00 C ATOM 1747 O ALA A 112 3.450 -5.549 -1.602 1.00 0.00 O ATOM 1748 CB ALA A 112 6.008 -3.866 -1.071 1.00 0.00 C ATOM 0 H ALA A 112 3.859 -3.429 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 112 6.394 -4.975 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.531 -4.579 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.687 -3.059 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.155 -3.454 -0.531 1.00 0.00 H new ATOM 1754 N LEU A 113 5.109 -6.947 -2.239 1.00 0.00 N ATOM 1755 CA LEU A 113 4.341 -8.154 -1.985 1.00 0.00 C ATOM 1756 C LEU A 113 4.926 -8.881 -0.771 1.00 0.00 C ATOM 1757 O LEU A 113 6.139 -9.043 -0.666 1.00 0.00 O ATOM 1758 CB LEU A 113 4.271 -9.020 -3.243 1.00 0.00 C ATOM 1759 CG LEU A 113 3.705 -10.431 -3.059 1.00 0.00 C ATOM 1760 CD1 LEU A 113 2.176 -10.407 -3.022 1.00 0.00 C ATOM 1761 CD2 LEU A 113 4.238 -11.381 -4.132 1.00 0.00 C ATOM 0 H LEU A 113 6.054 -7.109 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 113 3.309 -7.903 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.663 -8.500 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.276 -9.105 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 113 4.045 -10.812 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.799 -11.421 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.842 -9.785 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.796 -9.997 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.820 -12.376 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.950 -11.015 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.325 -11.430 -4.067 1.00 0.00 H new ATOM 1773 N ILE A 114 4.033 -9.298 0.114 1.00 0.00 N ATOM 1774 CA ILE A 114 4.444 -10.003 1.318 1.00 0.00 C ATOM 1775 C ILE A 114 3.839 -11.407 1.313 1.00 0.00 C ATOM 1776 O ILE A 114 2.620 -11.561 1.250 1.00 0.00 O ATOM 1777 CB ILE A 114 4.095 -9.187 2.562 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.616 -7.752 2.443 1.00 0.00 C ATOM 1779 CG2 ILE A 114 4.603 -9.877 3.831 1.00 0.00 C ATOM 1780 CD1 ILE A 114 6.091 -7.670 2.839 1.00 0.00 C ATOM 0 H ILE A 114 3.026 -9.162 0.022 1.00 0.00 H new ATOM 0 HA ILE A 114 5.527 -10.123 1.338 1.00 0.00 H new ATOM 0 HB ILE A 114 3.009 -9.130 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.490 -7.399 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.027 -7.093 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.342 -9.276 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.143 -10.861 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.686 -9.986 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.436 -6.640 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.210 -8.000 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.680 -8.311 2.183 1.00 0.00 H new ATOM 1792 N GLY A 115 4.718 -12.397 1.379 1.00 0.00 N ATOM 1793 CA GLY A 115 4.285 -13.784 1.383 1.00 0.00 C ATOM 1794 C GLY A 115 3.146 -13.999 2.382 1.00 0.00 C ATOM 1795 O GLY A 115 2.866 -13.132 3.208 1.00 0.00 O ATOM 0 H GLY A 115 5.728 -12.266 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.956 -14.069 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.125 -14.430 1.639 1.00 0.00 H new ATOM 1799 N LYS A 116 2.520 -15.162 2.275 1.00 0.00 N ATOM 1800 CA LYS A 116 1.418 -15.504 3.159 1.00 0.00 C ATOM 1801 C LYS A 116 1.965 -15.816 4.552 1.00 0.00 C ATOM 1802 O LYS A 116 1.199 -16.035 5.490 1.00 0.00 O ATOM 1803 CB LYS A 116 0.580 -16.634 2.559 1.00 0.00 C ATOM 1804 CG LYS A 116 1.386 -17.933 2.482 1.00 0.00 C ATOM 1805 CD LYS A 116 0.736 -19.031 3.326 1.00 0.00 C ATOM 1806 CE LYS A 116 1.580 -20.307 3.310 1.00 0.00 C ATOM 1807 NZ LYS A 116 1.551 -20.930 1.967 1.00 0.00 N ATOM 0 H LYS A 116 2.755 -15.880 1.589 1.00 0.00 H new ATOM 0 HA LYS A 116 0.739 -14.658 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.312 -16.791 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.243 -16.351 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.457 -18.260 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.403 -17.755 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.616 -18.683 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.262 -19.246 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.608 -20.074 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.201 -21.010 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.998 -21.868 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.565 -21.031 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.070 -20.330 1.295 1.00 0.00 H new ATOM 1820 N ASP A 117 3.287 -15.827 4.646 1.00 0.00 N ATOM 1821 CA ASP A 117 3.946 -16.110 5.909 1.00 0.00 C ATOM 1822 C ASP A 117 4.253 -14.793 6.624 1.00 0.00 C ATOM 1823 O ASP A 117 4.467 -14.776 7.836 1.00 0.00 O ATOM 1824 CB ASP A 117 5.268 -16.847 5.688 1.00 0.00 C ATOM 1825 CG ASP A 117 5.182 -18.371 5.787 1.00 0.00 C ATOM 1826 OD1 ASP A 117 5.505 -19.092 4.832 1.00 0.00 O ATOM 1827 OD2 ASP A 117 4.758 -18.821 6.921 1.00 0.00 O ATOM 0 H ASP A 117 3.919 -15.644 3.867 1.00 0.00 H new ATOM 0 HA ASP A 117 3.280 -16.735 6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.654 -16.583 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.992 -16.491 6.420 1.00 0.00 H new ATOM 1833 N GLY A 118 4.264 -13.721 5.845 1.00 0.00 N ATOM 1834 CA GLY A 118 4.541 -12.402 6.389 1.00 0.00 C ATOM 1835 C GLY A 118 5.999 -12.002 6.143 1.00 0.00 C ATOM 1836 O GLY A 118 6.570 -11.226 6.905 1.00 0.00 O ATOM 0 H GLY A 118 4.085 -13.739 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.877 -11.669 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.334 -12.395 7.459 1.00 0.00 H new ATOM 1840 N ASP A 119 6.556 -12.553 5.074 1.00 0.00 N ATOM 1841 CA ASP A 119 7.935 -12.263 4.717 1.00 0.00 C ATOM 1842 C ASP A 119 7.974 -11.624 3.327 1.00 0.00 C ATOM 1843 O ASP A 119 7.105 -11.885 2.496 1.00 0.00 O ATOM 1844 CB ASP A 119 8.773 -13.541 4.674 1.00 0.00 C ATOM 1845 CG ASP A 119 8.614 -14.377 3.402 1.00 0.00 C ATOM 1846 OD1 ASP A 119 7.500 -14.546 2.884 1.00 0.00 O ATOM 1847 OD2 ASP A 119 9.710 -14.871 2.933 1.00 0.00 O ATOM 0 H ASP A 119 6.078 -13.198 4.444 1.00 0.00 H new ATOM 0 HA ASP A 119 8.344 -11.589 5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.824 -13.272 4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.510 -14.159 5.532 1.00 0.00 H new ATOM 1853 N VAL A 120 8.991 -10.802 3.117 1.00 0.00 N ATOM 1854 CA VAL A 120 9.155 -10.124 1.843 1.00 0.00 C ATOM 1855 C VAL A 120 9.120 -11.157 0.713 1.00 0.00 C ATOM 1856 O VAL A 120 9.987 -12.025 0.635 1.00 0.00 O ATOM 1857 CB VAL A 120 10.439 -9.293 1.853 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.800 -8.825 0.441 1.00 0.00 C ATOM 1859 CG2 VAL A 120 10.315 -8.104 2.809 1.00 0.00 C ATOM 0 H VAL A 120 9.710 -10.590 3.808 1.00 0.00 H new ATOM 0 HA VAL A 120 8.335 -9.427 1.673 1.00 0.00 H new ATOM 0 HB VAL A 120 11.247 -9.930 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.717 -8.236 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.950 -9.692 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.991 -8.213 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.241 -7.530 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.489 -7.467 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.126 -8.467 3.819 1.00 0.00 H new ATOM 1869 N GLN A 121 8.110 -11.028 -0.133 1.00 0.00 N ATOM 1870 CA GLN A 121 7.951 -11.938 -1.254 1.00 0.00 C ATOM 1871 C GLN A 121 8.692 -11.405 -2.481 1.00 0.00 C ATOM 1872 O GLN A 121 9.611 -12.049 -2.985 1.00 0.00 O ATOM 1873 CB GLN A 121 6.471 -12.171 -1.567 1.00 0.00 C ATOM 1874 CG GLN A 121 6.050 -13.594 -1.195 1.00 0.00 C ATOM 1875 CD GLN A 121 6.765 -14.624 -2.072 1.00 0.00 C ATOM 1876 OE1 GLN A 121 7.211 -14.339 -3.171 1.00 0.00 O ATOM 1877 NE2 GLN A 121 6.846 -15.835 -1.528 1.00 0.00 N ATOM 0 H GLN A 121 7.393 -10.306 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 121 8.387 -12.899 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 121 5.862 -11.452 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.288 -11.999 -2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.279 -13.782 -0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 121 4.971 -13.700 -1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.451 -16.006 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.303 -16.593 -2.036 1.00 0.00 H new ATOM 1886 N ARG A 122 8.266 -10.233 -2.927 1.00 0.00 N ATOM 1887 CA ARG A 122 8.878 -9.604 -4.084 1.00 0.00 C ATOM 1888 C ARG A 122 8.609 -8.098 -4.076 1.00 0.00 C ATOM 1889 O ARG A 122 7.511 -7.662 -3.738 1.00 0.00 O ATOM 1890 CB ARG A 122 8.340 -10.204 -5.386 1.00 0.00 C ATOM 1891 CG ARG A 122 9.276 -9.900 -6.558 1.00 0.00 C ATOM 1892 CD ARG A 122 10.013 -11.163 -7.012 1.00 0.00 C ATOM 1893 NE ARG A 122 11.466 -10.898 -7.093 1.00 0.00 N ATOM 1894 CZ ARG A 122 12.320 -11.035 -6.056 1.00 0.00 C ATOM 1895 NH1 ARG A 122 11.869 -11.436 -4.847 1.00 0.00 N ATOM 1896 NH2 ARG A 122 13.600 -10.772 -6.241 1.00 0.00 N ATOM 0 H ARG A 122 7.503 -9.702 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 122 9.952 -9.784 -4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.229 -11.283 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.349 -9.801 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.703 -9.490 -7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 122 9.998 -9.139 -6.263 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.822 -11.977 -6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.638 -11.483 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 122 11.847 -10.593 -7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 122 10.878 -11.637 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 122 12.520 -11.537 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 122 13.931 -10.470 -7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.258 -10.871 -5.468 1.00 0.00 H new ATOM 1909 N ILE A 123 9.632 -7.344 -4.453 1.00 0.00 N ATOM 1910 CA ILE A 123 9.520 -5.896 -4.493 1.00 0.00 C ATOM 1911 C ILE A 123 9.438 -5.435 -5.950 1.00 0.00 C ATOM 1912 O ILE A 123 10.124 -5.976 -6.817 1.00 0.00 O ATOM 1913 CB ILE A 123 10.661 -5.248 -3.708 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.450 -3.738 -3.577 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.017 -5.584 -4.332 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.553 -3.101 -2.730 1.00 0.00 C ATOM 0 H ILE A 123 10.542 -7.709 -4.733 1.00 0.00 H new ATOM 0 HA ILE A 123 8.602 -5.572 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 123 10.658 -5.662 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 123 10.438 -3.282 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.479 -3.541 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 123 12.811 -5.111 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.161 -6.664 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.047 -5.217 -5.358 1.00 0.00 H new ATOM 0 HD11 ILE A 123 11.379 -2.028 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 123 11.547 -3.542 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.521 -3.279 -3.199 1.00 0.00 H new ATOM 1928 N VAL A 124 8.590 -4.441 -6.175 1.00 0.00 N ATOM 1929 CA VAL A 124 8.408 -3.902 -7.513 1.00 0.00 C ATOM 1930 C VAL A 124 8.543 -2.379 -7.466 1.00 0.00 C ATOM 1931 O VAL A 124 7.954 -1.726 -6.605 1.00 0.00 O ATOM 1932 CB VAL A 124 7.069 -4.368 -8.088 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.584 -3.419 -9.186 1.00 0.00 C ATOM 1934 CG2 VAL A 124 7.164 -5.803 -8.607 1.00 0.00 C ATOM 0 H VAL A 124 8.022 -3.995 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 124 9.181 -4.276 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 124 6.335 -4.352 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.630 -3.773 -9.578 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.457 -2.419 -8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.318 -3.389 -9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.199 -6.109 -9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.918 -5.857 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.443 -6.468 -7.790 1.00 0.00 H new ATOM 1944 N LYS A 125 9.320 -1.856 -8.404 1.00 0.00 N ATOM 1945 CA LYS A 125 9.539 -0.421 -8.480 1.00 0.00 C ATOM 1946 C LYS A 125 8.819 0.135 -9.711 1.00 0.00 C ATOM 1947 O LYS A 125 9.153 -0.220 -10.841 1.00 0.00 O ATOM 1948 CB LYS A 125 11.035 -0.105 -8.444 1.00 0.00 C ATOM 1949 CG LYS A 125 11.721 -0.556 -9.735 1.00 0.00 C ATOM 1950 CD LYS A 125 13.243 -0.512 -9.593 1.00 0.00 C ATOM 1951 CE LYS A 125 13.829 -1.924 -9.522 1.00 0.00 C ATOM 1952 NZ LYS A 125 14.946 -2.070 -10.482 1.00 0.00 N ATOM 0 H LYS A 125 9.805 -2.400 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 125 9.112 0.078 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.181 0.966 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.495 -0.603 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.405 -1.569 -9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.411 0.086 -10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.675 0.023 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.512 0.043 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.182 -2.127 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.054 -2.658 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.332 -3.034 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.599 -1.896 -11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.692 -1.383 -10.253 1.00 0.00 H new ATOM 1965 N GLY A 126 7.849 0.997 -9.451 1.00 0.00 N ATOM 1966 CA GLY A 126 7.081 1.606 -10.524 1.00 0.00 C ATOM 1967 C GLY A 126 5.597 1.253 -10.405 1.00 0.00 C ATOM 1968 O GLY A 126 5.232 0.331 -9.676 1.00 0.00 O ATOM 0 H GLY A 126 7.576 1.289 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.204 2.689 -10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.463 1.267 -11.487 1.00 0.00 H new ATOM 1972 N SER A 127 4.783 2.004 -11.131 1.00 0.00 N ATOM 1973 CA SER A 127 3.347 1.782 -11.115 1.00 0.00 C ATOM 1974 C SER A 127 2.985 0.641 -12.070 1.00 0.00 C ATOM 1975 O SER A 127 3.776 0.278 -12.939 1.00 0.00 O ATOM 1976 CB SER A 127 2.588 3.055 -11.496 1.00 0.00 C ATOM 1977 OG SER A 127 1.663 3.446 -10.487 1.00 0.00 O ATOM 0 H SER A 127 5.090 2.767 -11.734 1.00 0.00 H new ATOM 0 HA SER A 127 3.054 1.507 -10.102 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.299 3.863 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.055 2.893 -12.433 1.00 0.00 H new ATOM 0 HG SER A 127 1.200 4.263 -10.767 1.00 0.00 H new ATOM 1983 N ILE A 128 1.786 0.110 -11.878 1.00 0.00 N ATOM 1984 CA ILE A 128 1.309 -0.981 -12.710 1.00 0.00 C ATOM 1985 C ILE A 128 -0.169 -0.757 -13.038 1.00 0.00 C ATOM 1986 O ILE A 128 -0.818 0.101 -12.442 1.00 0.00 O ATOM 1987 CB ILE A 128 1.595 -2.329 -12.042 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.044 -2.361 -10.615 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.088 -2.658 -12.090 1.00 0.00 C ATOM 1990 CD1 ILE A 128 1.133 -3.771 -10.026 1.00 0.00 C ATOM 0 H ILE A 128 1.131 0.415 -11.158 1.00 0.00 H new ATOM 0 HA ILE A 128 1.847 -1.001 -13.658 1.00 0.00 H new ATOM 0 HB ILE A 128 1.077 -3.107 -12.603 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.603 -1.665 -9.989 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.006 -2.027 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.264 -3.620 -11.609 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.417 -2.706 -13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.648 -1.883 -11.567 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.735 -3.767 -9.011 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.553 -4.459 -10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 128 2.174 -4.092 -10.006 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.658 -1.547 -13.985 1.00 0.00 N ATOM 2003 CA ASN A 129 -2.046 -1.445 -14.398 1.00 0.00 C ATOM 2004 C ASN A 129 -2.827 -2.640 -13.846 1.00 0.00 C ATOM 2005 O ASN A 129 -2.235 -3.592 -13.339 1.00 0.00 O ATOM 2006 CB ASN A 129 -2.170 -1.465 -15.923 1.00 0.00 C ATOM 2007 CG ASN A 129 -1.164 -2.438 -16.542 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -0.980 -3.554 -16.086 1.00 0.00 O ATOM 2009 ND2 ASN A 129 -0.526 -1.955 -17.603 1.00 0.00 N ATOM 0 H ASN A 129 -0.117 -2.259 -14.476 1.00 0.00 H new ATOM 0 HA ASN A 129 -2.443 -0.505 -14.015 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -3.182 -1.754 -16.205 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -2.003 -0.463 -16.318 1.00 0.00 H new ATOM 0 HD21 ASN A 129 0.165 -2.528 -18.087 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -0.728 -1.011 -17.933 1.00 0.00 H new ATOM 2016 N GLU A 130 -4.143 -2.551 -13.962 1.00 0.00 N ATOM 2017 CA GLU A 130 -5.012 -3.611 -13.480 1.00 0.00 C ATOM 2018 C GLU A 130 -4.542 -4.966 -14.017 1.00 0.00 C ATOM 2019 O GLU A 130 -4.547 -5.960 -13.293 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.468 -3.346 -13.865 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.348 -4.557 -13.552 1.00 0.00 C ATOM 2022 CD GLU A 130 -8.797 -4.305 -13.970 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -9.179 -4.624 -15.106 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.539 -3.758 -13.067 1.00 0.00 O ATOM 0 H GLU A 130 -4.630 -1.760 -14.383 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.957 -3.632 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.838 -2.474 -13.325 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.530 -3.112 -14.928 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.963 -5.434 -14.072 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.306 -4.775 -12.485 1.00 0.00 H new ATOM 2032 N ALA A 131 -4.146 -4.960 -15.281 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.675 -6.176 -15.923 1.00 0.00 C ATOM 2034 C ALA A 131 -2.500 -6.745 -15.125 1.00 0.00 C ATOM 2035 O ALA A 131 -2.502 -7.922 -14.766 1.00 0.00 O ATOM 2036 CB ALA A 131 -3.300 -5.874 -17.375 1.00 0.00 C ATOM 0 H ALA A 131 -4.141 -4.133 -15.878 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.461 -6.931 -15.939 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.947 -6.786 -17.857 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.175 -5.498 -17.906 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.511 -5.122 -17.398 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.526 -5.885 -14.870 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.348 -6.288 -14.120 1.00 0.00 C ATOM 2044 C GLN A 132 -0.758 -6.981 -12.819 1.00 0.00 C ATOM 2045 O GLN A 132 -0.217 -8.030 -12.474 1.00 0.00 O ATOM 2046 CB GLN A 132 0.561 -5.090 -13.841 1.00 0.00 C ATOM 2047 CG GLN A 132 1.793 -5.114 -14.746 1.00 0.00 C ATOM 2048 CD GLN A 132 1.911 -3.814 -15.545 1.00 0.00 C ATOM 2049 OE1 GLN A 132 1.417 -2.768 -15.157 1.00 0.00 O ATOM 2050 NE2 GLN A 132 2.589 -3.937 -16.683 1.00 0.00 N ATOM 0 H GLN A 132 -1.528 -4.910 -15.169 1.00 0.00 H new ATOM 0 HA GLN A 132 0.218 -6.998 -14.724 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.007 -4.164 -13.999 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.872 -5.101 -12.796 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.689 -5.257 -14.143 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.730 -5.961 -15.429 1.00 0.00 H new ATOM 0 HE21 GLN A 132 2.977 -4.842 -16.950 1.00 0.00 H new ATOM 0 HE22 GLN A 132 2.720 -3.127 -17.288 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.711 -6.368 -12.134 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.200 -6.912 -10.878 1.00 0.00 C ATOM 2061 C ALA A 133 -2.670 -8.351 -11.101 1.00 0.00 C ATOM 2062 O ALA A 133 -2.313 -9.249 -10.339 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.311 -6.014 -10.331 1.00 0.00 C ATOM 0 H ALA A 133 -2.159 -5.499 -12.425 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.404 -6.936 -10.133 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.678 -6.422 -9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.919 -5.011 -10.164 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.129 -5.969 -11.050 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.463 -8.525 -12.148 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.986 -9.840 -12.480 1.00 0.00 C ATOM 2071 C LEU A 134 -2.820 -10.801 -12.721 1.00 0.00 C ATOM 2072 O LEU A 134 -2.811 -11.914 -12.196 1.00 0.00 O ATOM 2073 CB LEU A 134 -4.961 -9.748 -13.656 1.00 0.00 C ATOM 2074 CG LEU A 134 -6.133 -8.780 -13.481 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -7.219 -9.040 -14.527 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.684 -8.839 -12.056 1.00 0.00 C ATOM 0 H LEU A 134 -3.756 -7.778 -12.777 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.564 -10.242 -11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.402 -9.453 -14.544 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.363 -10.743 -13.848 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.766 -7.766 -13.643 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -8.041 -8.339 -14.381 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.802 -8.907 -15.525 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.589 -10.060 -14.421 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.516 -8.142 -11.958 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -7.031 -9.850 -11.842 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.899 -8.568 -11.351 1.00 0.00 H new