USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 100 GLN :FLIP amide:sc= -0.63! C(o=-5.3!,f=0.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.45) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 34:sc= 0.00137 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= -0.303 (180deg=-0.732) USER MOD Single : A 89 ASN : amide:sc= -0.547 K(o=-0.55,f=-3.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.347! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 106 GLN : amide:sc= -0.0908 X(o=-0.091,f=-0.35) USER MOD Single : A 107 ASN : amide:sc=-0.00482 X(o=-0.0048,f=-0.045) USER MOD Single : A 108 SER OG : rot -98:sc=-0.000892 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 115 SER OG : rot -140:sc= -1.28 USER MOD Single : A 117 MET CE :methyl -117:sc= -0.567 (180deg=-1.22) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.440 -11.237 6.212 1.00 0.00 N ATOM 70 CA PRO A 9 -11.239 -10.481 5.899 1.00 0.00 C ATOM 71 C PRO A 9 -10.191 -10.638 7.002 1.00 0.00 C ATOM 72 O PRO A 9 -10.532 -10.857 8.163 1.00 0.00 O ATOM 73 CB PRO A 9 -11.712 -9.047 5.728 1.00 0.00 C ATOM 74 CG PRO A 9 -13.070 -8.971 6.403 1.00 0.00 C ATOM 75 CD PRO A 9 -13.548 -10.392 6.651 1.00 0.00 C ATOM 0 HA PRO A 9 -10.742 -10.833 4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.010 -8.348 6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.785 -8.784 4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.999 -8.423 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.780 -8.434 5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.777 -10.555 7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.457 -10.608 6.090 1.00 0.00 H new ATOM 80 N LYS A 10 -8.933 -10.518 6.600 1.00 0.00 N ATOM 81 CA LYS A 10 -7.831 -10.643 7.539 1.00 0.00 C ATOM 82 C LYS A 10 -7.530 -9.273 8.149 1.00 0.00 C ATOM 83 O LYS A 10 -7.685 -8.247 7.488 1.00 0.00 O ATOM 84 CB LYS A 10 -6.624 -11.297 6.865 1.00 0.00 C ATOM 85 CG LYS A 10 -5.363 -11.129 7.716 1.00 0.00 C ATOM 86 CD LYS A 10 -5.356 -12.117 8.884 1.00 0.00 C ATOM 87 CE LYS A 10 -3.943 -12.641 9.147 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.974 -13.741 10.138 1.00 0.00 N ATOM 0 H LYS A 10 -8.653 -10.335 5.636 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.103 -11.305 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.822 -12.357 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.466 -10.852 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.479 -11.285 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.310 -10.109 8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.740 -11.630 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.022 -12.951 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.501 -12.995 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.311 -11.832 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.007 -14.085 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.376 -13.392 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.560 -14.519 9.775 1.00 0.00 H new ATOM 98 N THR A 11 -7.101 -9.300 9.402 1.00 0.00 N ATOM 99 CA THR A 11 -6.775 -8.074 10.109 1.00 0.00 C ATOM 100 C THR A 11 -5.439 -8.217 10.839 1.00 0.00 C ATOM 101 O THR A 11 -5.164 -9.256 11.438 1.00 0.00 O ATOM 102 CB THR A 11 -7.943 -7.738 11.039 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.090 -7.806 10.196 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.914 -6.283 11.513 1.00 0.00 C ATOM 0 H THR A 11 -6.972 -10.153 9.946 1.00 0.00 H new ATOM 0 HA THR A 11 -6.643 -7.243 9.416 1.00 0.00 H new ATOM 0 HB THR A 11 -7.921 -8.402 11.903 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.893 -7.603 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.764 -6.097 12.170 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.988 -6.096 12.056 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.970 -5.618 10.651 1.00 0.00 H new ATOM 112 N VAL A 12 -4.644 -7.159 10.765 1.00 0.00 N ATOM 113 CA VAL A 12 -3.343 -7.155 11.412 1.00 0.00 C ATOM 114 C VAL A 12 -3.094 -5.783 12.041 1.00 0.00 C ATOM 115 O VAL A 12 -3.346 -4.754 11.414 1.00 0.00 O ATOM 116 CB VAL A 12 -2.259 -7.558 10.410 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.052 -9.074 10.407 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.591 -7.047 9.008 1.00 0.00 C ATOM 0 H VAL A 12 -4.876 -6.299 10.267 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.315 -7.891 12.216 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.324 -7.093 10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.277 -9.334 9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.748 -9.402 11.401 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.984 -9.568 10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.805 -7.347 8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.542 -7.469 8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.664 -5.960 9.025 1.00 0.00 H new ATOM 128 N THR A 13 -2.605 -5.810 13.272 1.00 0.00 N ATOM 129 CA THR A 13 -2.322 -4.581 13.994 1.00 0.00 C ATOM 130 C THR A 13 -0.811 -4.371 14.113 1.00 0.00 C ATOM 131 O THR A 13 -0.048 -5.334 14.162 1.00 0.00 O ATOM 132 CB THR A 13 -3.034 -4.650 15.345 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.339 -5.127 15.026 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.281 -3.266 15.948 1.00 0.00 C ATOM 0 H THR A 13 -2.397 -6.665 13.788 1.00 0.00 H new ATOM 0 HA THR A 13 -2.700 -3.711 13.457 1.00 0.00 H new ATOM 0 HB THR A 13 -2.441 -5.247 16.037 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.869 -5.203 15.847 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.789 -3.372 16.907 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.328 -2.759 16.097 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.902 -2.680 15.271 1.00 0.00 H new ATOM 142 N LEU A 14 -0.424 -3.105 14.157 1.00 0.00 N ATOM 143 CA LEU A 14 0.981 -2.755 14.270 1.00 0.00 C ATOM 144 C LEU A 14 1.139 -1.606 15.269 1.00 0.00 C ATOM 145 O LEU A 14 0.294 -0.714 15.332 1.00 0.00 O ATOM 146 CB LEU A 14 1.572 -2.456 12.891 1.00 0.00 C ATOM 147 CG LEU A 14 1.537 -3.605 11.882 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.234 -3.592 11.081 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.768 -3.576 10.974 1.00 0.00 C ATOM 0 H LEU A 14 -1.060 -2.308 14.116 1.00 0.00 H new ATOM 0 HA LEU A 14 1.552 -3.597 14.660 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.036 -1.608 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.609 -2.145 13.022 1.00 0.00 H new ATOM 0 HG LEU A 14 1.566 -4.544 12.434 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.235 -4.419 10.371 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.612 -3.698 11.760 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.149 -2.650 10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.718 -4.404 10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.795 -2.633 10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.669 -3.671 11.580 1.00 0.00 H new ATOM 160 N LYS A 15 2.225 -1.665 16.025 1.00 0.00 N ATOM 161 CA LYS A 15 2.504 -0.641 17.017 1.00 0.00 C ATOM 162 C LYS A 15 3.814 0.064 16.661 1.00 0.00 C ATOM 163 O LYS A 15 4.877 -0.554 16.676 1.00 0.00 O ATOM 164 CB LYS A 15 2.489 -1.241 18.424 1.00 0.00 C ATOM 165 CG LYS A 15 1.267 -2.140 18.624 1.00 0.00 C ATOM 166 CD LYS A 15 0.929 -2.283 20.109 1.00 0.00 C ATOM 167 CE LYS A 15 -0.529 -2.710 20.301 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.602 -4.129 20.715 1.00 0.00 N ATOM 0 H LYS A 15 2.923 -2.407 15.970 1.00 0.00 H new ATOM 0 HA LYS A 15 1.722 0.119 17.012 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.400 -1.818 18.587 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.481 -0.441 19.164 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.413 -1.722 18.091 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.460 -3.123 18.195 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.590 -3.018 20.567 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.104 -1.335 20.618 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.003 -2.080 21.054 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.082 -2.567 19.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.597 -4.403 20.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.168 -4.727 19.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.092 -4.255 21.612 1.00 0.00 H new ATOM 178 N ARG A 16 3.695 1.346 16.353 1.00 0.00 N ATOM 179 CA ARG A 16 4.857 2.142 15.996 1.00 0.00 C ATOM 180 C ARG A 16 6.014 1.851 16.954 1.00 0.00 C ATOM 181 O ARG A 16 5.949 2.197 18.134 1.00 0.00 O ATOM 182 CB ARG A 16 4.534 3.637 16.034 1.00 0.00 C ATOM 183 CG ARG A 16 5.778 4.473 15.727 1.00 0.00 C ATOM 184 CD ARG A 16 5.446 5.616 14.765 1.00 0.00 C ATOM 185 NE ARG A 16 6.430 6.711 14.920 1.00 0.00 N ATOM 186 CZ ARG A 16 6.448 7.564 15.952 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.535 7.455 16.928 1.00 0.00 N ATOM 188 NH2 ARG A 16 7.379 8.527 16.010 1.00 0.00 N ATOM 0 H ARG A 16 2.811 1.854 16.343 1.00 0.00 H new ATOM 0 HA ARG A 16 5.145 1.871 14.980 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.752 3.862 15.309 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.145 3.904 17.017 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.186 4.879 16.653 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.549 3.838 15.291 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.454 5.252 13.738 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.441 5.989 14.963 1.00 0.00 H new ATOM 0 HE ARG A 16 7.139 6.823 14.195 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.827 6.722 16.884 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.549 8.105 17.714 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.074 8.610 15.268 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.392 9.177 16.796 1.00 0.00 H new ATOM 264 N GLY A 22 7.778 -1.818 10.823 1.00 0.00 N ATOM 265 CA GLY A 22 8.568 -2.946 10.358 1.00 0.00 C ATOM 266 C GLY A 22 8.403 -3.147 8.850 1.00 0.00 C ATOM 267 O GLY A 22 9.213 -2.662 8.063 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.619 -2.780 10.593 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.262 -3.850 10.885 1.00 0.00 H new ATOM 271 N PHE A 23 7.347 -3.865 8.494 1.00 0.00 N ATOM 272 CA PHE A 23 7.064 -4.137 7.094 1.00 0.00 C ATOM 273 C PHE A 23 7.121 -2.852 6.265 1.00 0.00 C ATOM 274 O PHE A 23 7.278 -1.761 6.812 1.00 0.00 O ATOM 275 CB PHE A 23 5.648 -4.711 7.027 1.00 0.00 C ATOM 276 CG PHE A 23 4.547 -3.650 6.989 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.194 -2.997 8.128 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.922 -3.361 5.816 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.171 -2.012 8.093 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.899 -2.375 5.782 1.00 0.00 C ATOM 281 CZ PHE A 23 2.546 -1.722 6.920 1.00 0.00 C ATOM 0 H PHE A 23 6.677 -4.266 9.150 1.00 0.00 H new ATOM 0 HA PHE A 23 7.803 -4.831 6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.563 -5.339 6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.487 -5.356 7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.691 -3.227 9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.203 -3.880 4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.889 -1.493 8.998 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.402 -2.145 4.851 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.769 -0.972 6.893 1.00 0.00 H new ATOM 290 N THR A 24 6.988 -3.022 4.957 1.00 0.00 N ATOM 291 CA THR A 24 7.022 -1.892 4.047 1.00 0.00 C ATOM 292 C THR A 24 6.326 -2.244 2.731 1.00 0.00 C ATOM 293 O THR A 24 6.080 -3.417 2.450 1.00 0.00 O ATOM 294 CB THR A 24 8.482 -1.471 3.867 1.00 0.00 C ATOM 295 OG1 THR A 24 8.439 -0.506 2.821 1.00 0.00 O ATOM 296 CG2 THR A 24 9.350 -2.597 3.301 1.00 0.00 C ATOM 0 H THR A 24 6.856 -3.928 4.507 1.00 0.00 H new ATOM 0 HA THR A 24 6.472 -1.043 4.453 1.00 0.00 H new ATOM 0 HB THR A 24 8.887 -1.147 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.345 -0.179 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.376 -2.246 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.328 -3.450 3.980 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.965 -2.898 2.327 1.00 0.00 H new ATOM 304 N LEU A 25 6.025 -1.209 1.961 1.00 0.00 N ATOM 305 CA LEU A 25 5.363 -1.395 0.682 1.00 0.00 C ATOM 306 C LEU A 25 6.341 -1.066 -0.448 1.00 0.00 C ATOM 307 O LEU A 25 7.473 -0.660 -0.194 1.00 0.00 O ATOM 308 CB LEU A 25 4.065 -0.585 0.627 1.00 0.00 C ATOM 309 CG LEU A 25 3.071 -0.833 1.763 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.988 -2.323 2.103 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.415 0.014 2.990 1.00 0.00 C ATOM 0 H LEU A 25 6.228 -0.238 2.199 1.00 0.00 H new ATOM 0 HA LEU A 25 5.068 -2.437 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.321 0.474 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.566 -0.799 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 25 2.083 -0.522 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.275 -2.472 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.661 -2.879 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.970 -2.681 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.692 -0.182 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.415 -0.242 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.383 1.070 2.723 1.00 0.00 H new ATOM 322 N ARG A 26 5.866 -1.254 -1.671 1.00 0.00 N ATOM 323 CA ARG A 26 6.686 -0.982 -2.840 1.00 0.00 C ATOM 324 C ARG A 26 5.808 -0.536 -4.011 1.00 0.00 C ATOM 325 O ARG A 26 4.595 -0.747 -3.998 1.00 0.00 O ATOM 326 CB ARG A 26 7.484 -2.220 -3.253 1.00 0.00 C ATOM 327 CG ARG A 26 8.885 -1.834 -3.732 1.00 0.00 C ATOM 328 CD ARG A 26 9.656 -1.100 -2.635 1.00 0.00 C ATOM 329 NE ARG A 26 9.926 0.295 -3.052 1.00 0.00 N ATOM 330 CZ ARG A 26 10.428 1.237 -2.242 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.721 0.940 -0.969 1.00 0.00 N ATOM 332 NH2 ARG A 26 10.640 2.476 -2.706 1.00 0.00 N ATOM 0 H ARG A 26 4.926 -1.591 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 26 7.383 -0.185 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.560 -2.906 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.957 -2.749 -4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.431 -2.729 -4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.809 -1.200 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.081 -1.107 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.595 -1.616 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 26 9.717 0.555 -4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.562 -0.004 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.103 1.657 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.419 2.702 -3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.022 3.193 -2.089 1.00 0.00 H new ATOM 862 N ILE A 63 -0.792 -2.746 -3.360 1.00 0.00 N ATOM 863 CA ILE A 63 0.290 -2.308 -2.496 1.00 0.00 C ATOM 864 C ILE A 63 1.358 -3.402 -2.426 1.00 0.00 C ATOM 865 O ILE A 63 2.528 -3.150 -2.712 1.00 0.00 O ATOM 866 CB ILE A 63 -0.253 -1.892 -1.126 1.00 0.00 C ATOM 867 CG1 ILE A 63 -0.770 -0.452 -1.157 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.796 -2.103 -0.033 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.275 -0.405 -0.885 1.00 0.00 C ATOM 0 HA ILE A 63 0.769 -1.420 -2.908 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.101 -2.533 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.243 0.144 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.558 -0.006 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.384 -1.800 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.073 -3.156 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.679 -1.503 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.618 0.629 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.800 -0.982 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.481 -0.829 0.098 1.00 0.00 H new ATOM 880 N PHE A 64 0.917 -4.592 -2.046 1.00 0.00 N ATOM 881 CA PHE A 64 1.819 -5.725 -1.936 1.00 0.00 C ATOM 882 C PHE A 64 2.943 -5.435 -0.939 1.00 0.00 C ATOM 883 O PHE A 64 3.676 -4.460 -1.090 1.00 0.00 O ATOM 884 CB PHE A 64 2.428 -5.947 -3.322 1.00 0.00 C ATOM 885 CG PHE A 64 1.678 -6.973 -4.174 1.00 0.00 C ATOM 886 CD1 PHE A 64 0.329 -6.885 -4.311 1.00 0.00 C ATOM 887 CD2 PHE A 64 2.362 -7.971 -4.796 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.369 -7.837 -5.102 1.00 0.00 C ATOM 889 CE2 PHE A 64 1.665 -8.922 -5.586 1.00 0.00 C ATOM 890 CZ PHE A 64 0.315 -8.836 -5.723 1.00 0.00 C ATOM 0 H PHE A 64 -0.054 -4.796 -1.810 1.00 0.00 H new ATOM 0 HA PHE A 64 1.275 -6.602 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.451 -4.996 -3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.462 -6.273 -3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.213 -6.091 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.434 -8.040 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.441 -7.768 -5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.208 -9.715 -6.079 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.214 -9.560 -6.324 1.00 0.00 H new ATOM 899 N VAL A 65 3.043 -6.301 0.060 1.00 0.00 N ATOM 900 CA VAL A 65 4.064 -6.152 1.082 1.00 0.00 C ATOM 901 C VAL A 65 5.446 -6.292 0.441 1.00 0.00 C ATOM 902 O VAL A 65 5.649 -7.144 -0.423 1.00 0.00 O ATOM 903 CB VAL A 65 3.824 -7.154 2.213 1.00 0.00 C ATOM 904 CG1 VAL A 65 5.015 -7.191 3.174 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.526 -6.839 2.958 1.00 0.00 C ATOM 0 H VAL A 65 2.432 -7.109 0.183 1.00 0.00 H new ATOM 0 HA VAL A 65 4.013 -5.160 1.530 1.00 0.00 H new ATOM 0 HB VAL A 65 3.722 -8.144 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.819 -7.911 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.912 -7.486 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.163 -6.202 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.379 -7.566 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.585 -5.838 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.687 -6.888 2.264 1.00 0.00 H new ATOM 915 N LYS A 66 6.361 -5.444 0.888 1.00 0.00 N ATOM 916 CA LYS A 66 7.717 -5.464 0.369 1.00 0.00 C ATOM 917 C LYS A 66 8.546 -6.477 1.160 1.00 0.00 C ATOM 918 O LYS A 66 9.020 -7.467 0.603 1.00 0.00 O ATOM 919 CB LYS A 66 8.309 -4.053 0.364 1.00 0.00 C ATOM 920 CG LYS A 66 9.836 -4.100 0.466 1.00 0.00 C ATOM 921 CD LYS A 66 10.440 -4.870 -0.709 1.00 0.00 C ATOM 922 CE LYS A 66 11.711 -4.186 -1.218 1.00 0.00 C ATOM 923 NZ LYS A 66 12.887 -5.061 -1.015 1.00 0.00 N ATOM 0 H LYS A 66 6.189 -4.739 1.604 1.00 0.00 H new ATOM 0 HA LYS A 66 7.723 -5.790 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.017 -3.535 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.902 -3.481 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.234 -3.086 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.127 -4.573 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.670 -5.890 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.711 -4.938 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.605 -3.949 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.858 -3.242 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.741 -4.582 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.997 -5.266 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.751 -5.951 -1.535 1.00 0.00 H new ATOM 933 N GLN A 67 8.698 -6.194 2.445 1.00 0.00 N ATOM 934 CA GLN A 67 9.463 -7.069 3.318 1.00 0.00 C ATOM 935 C GLN A 67 8.872 -7.057 4.730 1.00 0.00 C ATOM 936 O GLN A 67 7.997 -6.248 5.034 1.00 0.00 O ATOM 937 CB GLN A 67 10.939 -6.667 3.339 1.00 0.00 C ATOM 938 CG GLN A 67 11.692 -7.288 2.161 1.00 0.00 C ATOM 939 CD GLN A 67 13.022 -7.890 2.614 1.00 0.00 C ATOM 940 OE1 GLN A 67 13.116 -8.560 3.630 1.00 0.00 O ATOM 941 NE2 GLN A 67 14.044 -7.616 1.809 1.00 0.00 N ATOM 0 H GLN A 67 8.305 -5.372 2.903 1.00 0.00 H new ATOM 0 HA GLN A 67 9.402 -8.085 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 67 11.025 -5.581 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.394 -6.988 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.078 -8.061 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.873 -6.529 1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.898 -7.049 0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.974 -7.973 2.027 1.00 0.00 H new ATOM 948 N VAL A 68 9.374 -7.965 5.554 1.00 0.00 N ATOM 949 CA VAL A 68 8.906 -8.070 6.926 1.00 0.00 C ATOM 950 C VAL A 68 10.110 -8.127 7.867 1.00 0.00 C ATOM 951 O VAL A 68 10.975 -8.992 7.725 1.00 0.00 O ATOM 952 CB VAL A 68 7.977 -9.277 7.071 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.720 -9.597 8.545 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.662 -9.050 6.322 1.00 0.00 C ATOM 0 H VAL A 68 10.100 -8.634 5.298 1.00 0.00 H new ATOM 0 HA VAL A 68 8.321 -7.192 7.198 1.00 0.00 H new ATOM 0 HB VAL A 68 8.474 -10.138 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.057 -10.459 8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.665 -9.823 9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.254 -8.738 9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.020 -9.923 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.159 -8.172 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.869 -8.894 5.263 1.00 0.00 H new ATOM 964 N LYS A 69 10.130 -7.194 8.808 1.00 0.00 N ATOM 965 CA LYS A 69 11.215 -7.129 9.772 1.00 0.00 C ATOM 966 C LYS A 69 11.113 -8.316 10.732 1.00 0.00 C ATOM 967 O LYS A 69 10.171 -8.405 11.517 1.00 0.00 O ATOM 968 CB LYS A 69 11.224 -5.769 10.476 1.00 0.00 C ATOM 969 CG LYS A 69 11.800 -5.886 11.889 1.00 0.00 C ATOM 970 CD LYS A 69 13.268 -6.314 11.848 1.00 0.00 C ATOM 971 CE LYS A 69 13.908 -6.210 13.234 1.00 0.00 C ATOM 972 NZ LYS A 69 15.383 -6.267 13.130 1.00 0.00 N ATOM 0 H LYS A 69 9.413 -6.478 8.923 1.00 0.00 H new ATOM 0 HA LYS A 69 12.178 -7.209 9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.815 -5.060 9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.209 -5.374 10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.711 -4.929 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.222 -6.611 12.463 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.342 -7.339 11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.814 -5.687 11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.607 -5.277 13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.551 -7.022 13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.801 -6.195 14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.666 -7.168 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.720 -5.478 12.543 1.00 0.00 H new ATOM 982 N GLU A 70 12.096 -9.199 10.636 1.00 0.00 N ATOM 983 CA GLU A 70 12.130 -10.377 11.486 1.00 0.00 C ATOM 984 C GLU A 70 12.303 -9.971 12.949 1.00 0.00 C ATOM 985 O GLU A 70 13.425 -9.786 13.417 1.00 0.00 O ATOM 986 CB GLU A 70 13.237 -11.338 11.047 1.00 0.00 C ATOM 987 CG GLU A 70 12.748 -12.787 11.074 1.00 0.00 C ATOM 988 CD GLU A 70 12.460 -13.296 9.660 1.00 0.00 C ATOM 989 OE1 GLU A 70 13.310 -13.036 8.780 1.00 0.00 O ATOM 990 OE2 GLU A 70 11.398 -13.931 9.490 1.00 0.00 O ATOM 0 H GLU A 70 12.875 -9.122 9.982 1.00 0.00 H new ATOM 0 HA GLU A 70 11.180 -10.901 11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.569 -11.081 10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.100 -11.229 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.500 -13.419 11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.845 -12.859 11.681 1.00 0.00 H new ATOM 995 N GLY A 71 11.174 -9.845 13.633 1.00 0.00 N ATOM 996 CA GLY A 71 11.187 -9.465 15.035 1.00 0.00 C ATOM 997 C GLY A 71 10.643 -8.046 15.225 1.00 0.00 C ATOM 998 O GLY A 71 11.080 -7.324 16.119 1.00 0.00 O ATOM 0 H GLY A 71 10.245 -10.000 13.242 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.586 -10.169 15.612 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.205 -9.523 15.422 1.00 0.00 H new ATOM 1002 N GLY A 72 9.698 -7.693 14.367 1.00 0.00 N ATOM 1003 CA GLY A 72 9.089 -6.374 14.428 1.00 0.00 C ATOM 1004 C GLY A 72 7.596 -6.474 14.754 1.00 0.00 C ATOM 1005 O GLY A 72 7.143 -7.476 15.303 1.00 0.00 O ATOM 0 H GLY A 72 9.339 -8.296 13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.591 -5.772 15.186 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.223 -5.863 13.475 1.00 0.00 H new ATOM 1009 N PRO A 73 6.856 -5.393 14.392 1.00 0.00 N ATOM 1010 CA PRO A 73 5.425 -5.347 14.641 1.00 0.00 C ATOM 1011 C PRO A 73 4.670 -6.238 13.653 1.00 0.00 C ATOM 1012 O PRO A 73 4.025 -7.208 14.052 1.00 0.00 O ATOM 1013 CB PRO A 73 5.051 -3.880 14.524 1.00 0.00 C ATOM 1014 CG PRO A 73 6.187 -3.220 13.761 1.00 0.00 C ATOM 1015 CD PRO A 73 7.359 -4.187 13.740 1.00 0.00 C ATOM 0 HA PRO A 73 5.156 -5.734 15.624 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.105 -3.759 13.997 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.928 -3.429 15.508 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.874 -2.977 12.745 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.474 -2.283 14.239 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.683 -4.394 12.720 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.219 -3.779 14.271 1.00 0.00 H new ATOM 1020 N ALA A 74 4.774 -5.880 12.382 1.00 0.00 N ATOM 1021 CA ALA A 74 4.108 -6.634 11.333 1.00 0.00 C ATOM 1022 C ALA A 74 4.357 -8.128 11.551 1.00 0.00 C ATOM 1023 O ALA A 74 3.413 -8.912 11.634 1.00 0.00 O ATOM 1024 CB ALA A 74 4.602 -6.153 9.967 1.00 0.00 C ATOM 0 H ALA A 74 5.310 -5.077 12.054 1.00 0.00 H new ATOM 0 HA ALA A 74 3.031 -6.471 11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.103 -6.718 9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.377 -5.093 9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.679 -6.305 9.895 1.00 0.00 H new ATOM 1030 N PHE A 75 5.631 -8.477 11.637 1.00 0.00 N ATOM 1031 CA PHE A 75 6.016 -9.863 11.842 1.00 0.00 C ATOM 1032 C PHE A 75 5.110 -10.535 12.874 1.00 0.00 C ATOM 1033 O PHE A 75 4.617 -11.640 12.647 1.00 0.00 O ATOM 1034 CB PHE A 75 7.453 -9.854 12.370 1.00 0.00 C ATOM 1035 CG PHE A 75 7.920 -11.203 12.923 1.00 0.00 C ATOM 1036 CD1 PHE A 75 7.953 -12.296 12.115 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.300 -11.308 14.225 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.386 -13.547 12.629 1.00 0.00 C ATOM 1039 CE2 PHE A 75 8.733 -12.559 14.739 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.766 -13.652 13.930 1.00 0.00 C ATOM 0 H PHE A 75 6.411 -7.824 11.568 1.00 0.00 H new ATOM 0 HA PHE A 75 5.930 -10.417 10.907 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.123 -9.551 11.566 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.536 -9.102 13.155 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.650 -12.213 11.082 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.272 -10.440 14.867 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.413 -14.415 11.987 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.036 -12.643 15.772 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.094 -14.604 14.321 1.00 0.00 H new ATOM 1049 N GLU A 76 4.918 -9.843 13.986 1.00 0.00 N ATOM 1050 CA GLU A 76 4.079 -10.359 15.055 1.00 0.00 C ATOM 1051 C GLU A 76 2.625 -10.448 14.592 1.00 0.00 C ATOM 1052 O GLU A 76 2.008 -11.511 14.667 1.00 0.00 O ATOM 1053 CB GLU A 76 4.201 -9.498 16.313 1.00 0.00 C ATOM 1054 CG GLU A 76 5.660 -9.387 16.762 1.00 0.00 C ATOM 1055 CD GLU A 76 5.902 -10.183 18.045 1.00 0.00 C ATOM 1056 OE1 GLU A 76 5.593 -9.629 19.124 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.389 -11.327 17.921 1.00 0.00 O ATOM 0 H GLU A 76 5.329 -8.928 14.171 1.00 0.00 H new ATOM 0 HA GLU A 76 4.422 -11.362 15.307 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.800 -8.503 16.118 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.602 -9.931 17.114 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.316 -9.755 15.973 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.915 -8.340 16.926 1.00 0.00 H new ATOM 1062 N ALA A 77 2.115 -9.319 14.121 1.00 0.00 N ATOM 1063 CA ALA A 77 0.744 -9.257 13.645 1.00 0.00 C ATOM 1064 C ALA A 77 0.428 -10.522 12.846 1.00 0.00 C ATOM 1065 O ALA A 77 -0.716 -10.974 12.819 1.00 0.00 O ATOM 1066 CB ALA A 77 0.547 -7.982 12.821 1.00 0.00 C ATOM 0 H ALA A 77 2.628 -8.439 14.059 1.00 0.00 H new ATOM 0 HA ALA A 77 0.048 -9.215 14.483 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.482 -7.935 12.464 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.755 -7.111 13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.227 -7.991 11.969 1.00 0.00 H new ATOM 1072 N GLY A 78 1.462 -11.060 12.215 1.00 0.00 N ATOM 1073 CA GLY A 78 1.309 -12.265 11.419 1.00 0.00 C ATOM 1074 C GLY A 78 1.357 -11.943 9.924 1.00 0.00 C ATOM 1075 O GLY A 78 0.917 -12.741 9.099 1.00 0.00 O ATOM 0 H GLY A 78 2.409 -10.683 12.239 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.100 -12.973 11.668 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.362 -12.747 11.661 1.00 0.00 H new ATOM 1079 N LEU A 79 1.898 -10.771 9.621 1.00 0.00 N ATOM 1080 CA LEU A 79 2.011 -10.334 8.240 1.00 0.00 C ATOM 1081 C LEU A 79 3.011 -11.228 7.506 1.00 0.00 C ATOM 1082 O LEU A 79 3.757 -11.978 8.134 1.00 0.00 O ATOM 1083 CB LEU A 79 2.355 -8.844 8.176 1.00 0.00 C ATOM 1084 CG LEU A 79 1.633 -8.035 7.096 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.217 -7.663 7.544 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.448 -6.804 6.696 1.00 0.00 C ATOM 0 H LEU A 79 2.262 -10.111 10.308 1.00 0.00 H new ATOM 0 HA LEU A 79 1.054 -10.439 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.133 -8.398 9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.429 -8.746 8.019 1.00 0.00 H new ATOM 0 HG LEU A 79 1.537 -8.660 6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.274 -7.089 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.353 -8.571 7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.269 -7.064 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.912 -6.247 5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.597 -6.167 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.416 -7.119 6.307 1.00 0.00 H new ATOM 1097 N CYS A 80 2.998 -11.118 6.185 1.00 0.00 N ATOM 1098 CA CYS A 80 3.895 -11.907 5.359 1.00 0.00 C ATOM 1099 C CYS A 80 4.289 -11.069 4.142 1.00 0.00 C ATOM 1100 O CYS A 80 3.996 -9.875 4.082 1.00 0.00 O ATOM 1101 CB CYS A 80 3.265 -13.242 4.955 1.00 0.00 C ATOM 1102 SG CYS A 80 3.917 -14.587 6.010 1.00 0.00 S ATOM 0 H CYS A 80 2.380 -10.494 5.667 1.00 0.00 H new ATOM 0 HA CYS A 80 4.789 -12.161 5.928 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.181 -13.186 5.052 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.481 -13.453 3.908 1.00 0.00 H new ATOM 0 HG CYS A 80 4.134 -14.132 7.208 1.00 0.00 H new ATOM 1107 N THR A 81 4.948 -11.727 3.198 1.00 0.00 N ATOM 1108 CA THR A 81 5.384 -11.058 1.985 1.00 0.00 C ATOM 1109 C THR A 81 4.476 -11.432 0.812 1.00 0.00 C ATOM 1110 O THR A 81 4.137 -12.601 0.635 1.00 0.00 O ATOM 1111 CB THR A 81 6.854 -11.411 1.752 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.959 -12.763 2.189 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.796 -10.645 2.684 1.00 0.00 C ATOM 0 H THR A 81 5.190 -12.717 3.250 1.00 0.00 H new ATOM 0 HA THR A 81 5.306 -9.975 2.082 1.00 0.00 H new ATOM 0 HB THR A 81 7.118 -11.200 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.881 -13.074 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.827 -10.933 2.477 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.678 -9.574 2.520 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.555 -10.882 3.720 1.00 0.00 H new ATOM 1121 N GLY A 82 4.108 -10.420 0.042 1.00 0.00 N ATOM 1122 CA GLY A 82 3.246 -10.628 -1.108 1.00 0.00 C ATOM 1123 C GLY A 82 1.776 -10.423 -0.737 1.00 0.00 C ATOM 1124 O GLY A 82 0.889 -10.633 -1.562 1.00 0.00 O ATOM 0 H GLY A 82 4.392 -9.452 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.523 -9.937 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.389 -11.636 -1.496 1.00 0.00 H new ATOM 1128 N ASP A 83 1.565 -10.016 0.506 1.00 0.00 N ATOM 1129 CA ASP A 83 0.217 -9.780 0.998 1.00 0.00 C ATOM 1130 C ASP A 83 -0.323 -8.485 0.390 1.00 0.00 C ATOM 1131 O ASP A 83 0.391 -7.486 0.313 1.00 0.00 O ATOM 1132 CB ASP A 83 0.204 -9.631 2.519 1.00 0.00 C ATOM 1133 CG ASP A 83 0.429 -10.927 3.299 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.506 -11.983 2.635 1.00 0.00 O ATOM 1135 OD2 ASP A 83 0.516 -10.834 4.543 1.00 0.00 O ATOM 0 H ASP A 83 2.304 -9.844 1.187 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.400 -10.633 0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.974 -8.915 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.754 -9.206 2.819 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.579 -8.543 -0.026 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.223 -7.387 -0.624 1.00 0.00 C ATOM 1141 C ARG A 84 -3.008 -6.608 0.434 1.00 0.00 C ATOM 1142 O ARG A 84 -3.760 -7.196 1.212 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.174 -7.804 -1.747 1.00 0.00 C ATOM 1144 CG ARG A 84 -2.404 -8.094 -3.037 1.00 0.00 C ATOM 1145 CD ARG A 84 -1.589 -9.383 -2.912 1.00 0.00 C ATOM 1146 NE ARG A 84 -2.429 -10.459 -2.338 1.00 0.00 N ATOM 1147 CZ ARG A 84 -3.436 -11.053 -2.990 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -3.735 -10.683 -4.243 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -4.144 -12.021 -2.391 1.00 0.00 N ATOM 0 H ARG A 84 -2.168 -9.373 0.039 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.441 -6.753 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.732 -8.690 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.903 -7.013 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.102 -8.180 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.740 -7.260 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.217 -9.684 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.718 -9.213 -2.279 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.228 -10.767 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.195 -9.948 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.502 -11.136 -4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.915 -12.305 -1.438 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.911 -12.474 -2.888 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.808 -5.298 0.431 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.486 -4.435 1.382 1.00 0.00 C ATOM 1162 C ILE A 85 -4.889 -4.112 0.860 1.00 0.00 C ATOM 1163 O ILE A 85 -5.039 -3.586 -0.242 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.641 -3.194 1.678 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.219 -3.586 2.090 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.317 -2.308 2.726 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.241 -4.594 3.242 1.00 0.00 C ATOM 0 H ILE A 85 -2.185 -4.814 -0.216 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.609 -4.944 2.338 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.562 -2.607 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.694 -4.015 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.665 -2.697 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.696 -1.433 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.291 -1.987 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.446 -2.871 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.219 -4.856 3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.745 -4.153 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.775 -5.492 2.930 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.880 -4.442 1.675 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.263 -4.194 1.310 1.00 0.00 C ATOM 1180 C ILE A 86 -7.823 -3.067 2.182 1.00 0.00 C ATOM 1181 O ILE A 86 -8.445 -2.136 1.674 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.077 -5.488 1.381 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.157 -6.006 2.819 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.517 -6.541 0.423 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -8.970 -7.301 2.891 1.00 0.00 C ATOM 0 H ILE A 86 -5.752 -4.879 2.587 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.329 -3.859 0.275 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.095 -5.270 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.152 -6.182 3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.614 -5.250 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.113 -7.451 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.554 -6.161 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.484 -6.763 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.011 -7.648 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.982 -7.116 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.497 -8.063 2.271 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.581 -3.190 3.478 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.052 -2.193 4.425 1.00 0.00 C ATOM 1198 C LYS A 87 -6.909 -1.811 5.367 1.00 0.00 C ATOM 1199 O LYS A 87 -5.883 -2.488 5.412 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.305 -2.692 5.147 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.397 -3.078 4.149 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.868 -4.515 4.381 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.337 -5.156 3.073 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.223 -6.310 3.349 1.00 0.00 N ATOM 0 H LYS A 87 -7.065 -3.965 3.895 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.353 -1.284 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.053 -3.553 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.677 -1.916 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.241 -2.395 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.018 -2.975 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.056 -5.103 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.682 -4.522 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.867 -4.419 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.475 -5.483 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.091 -7.033 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.987 -6.715 4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.214 -5.994 3.351 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.125 -0.727 6.098 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.126 -0.245 7.037 1.00 0.00 C ATOM 1216 C VAL A 88 -6.668 -0.374 8.462 1.00 0.00 C ATOM 1217 O VAL A 88 -6.910 -1.481 8.940 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.717 1.184 6.679 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.607 1.686 7.606 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -5.294 1.283 5.212 1.00 0.00 C ATOM 0 H VAL A 88 -7.978 -0.169 6.059 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.222 -0.851 6.977 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.586 1.826 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.335 2.705 7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.960 1.672 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.735 1.039 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.008 2.310 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.446 0.622 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.126 0.988 4.573 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.842 0.773 9.100 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.352 0.804 10.460 1.00 0.00 C ATOM 1232 C ASN A 89 -8.813 1.253 10.444 1.00 0.00 C ATOM 1233 O ASN A 89 -9.168 2.251 11.069 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.564 1.793 11.323 1.00 0.00 C ATOM 1235 CG ASN A 89 -6.188 3.041 10.520 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -6.941 3.528 9.694 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.986 3.529 10.809 1.00 0.00 N ATOM 0 H ASN A 89 -6.639 1.689 8.700 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.254 -0.198 10.878 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.159 2.079 12.190 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.661 1.313 11.701 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.644 4.361 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.406 3.072 11.512 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.625 0.493 9.722 1.00 0.00 N ATOM 1244 CA GLY A 90 -11.041 0.800 9.615 1.00 0.00 C ATOM 1245 C GLY A 90 -11.273 2.008 8.706 1.00 0.00 C ATOM 1246 O GLY A 90 -12.142 2.836 8.977 1.00 0.00 O ATOM 0 H GLY A 90 -9.328 -0.335 9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.575 -0.064 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.449 1.002 10.605 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.481 2.071 7.645 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.589 3.164 6.694 1.00 0.00 C ATOM 1252 C GLU A 91 -11.035 2.638 5.329 1.00 0.00 C ATOM 1253 O GLU A 91 -11.773 3.309 4.611 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.269 3.927 6.583 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.446 5.394 6.983 1.00 0.00 C ATOM 1256 CD GLU A 91 -10.416 6.106 6.037 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -9.930 6.607 5.000 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -11.619 6.132 6.371 1.00 0.00 O ATOM 0 H GLU A 91 -9.762 1.382 7.423 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.344 3.862 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.520 3.460 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.896 3.868 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.819 5.454 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.480 5.898 6.967 1.00 0.00 H new ATOM 1263 N SER A 92 -10.567 1.439 5.011 1.00 0.00 N ATOM 1264 CA SER A 92 -10.908 0.814 3.744 1.00 0.00 C ATOM 1265 C SER A 92 -10.220 1.553 2.595 1.00 0.00 C ATOM 1266 O SER A 92 -10.329 2.773 2.482 1.00 0.00 O ATOM 1267 CB SER A 92 -12.422 0.793 3.531 1.00 0.00 C ATOM 1268 OG SER A 92 -12.913 -0.528 3.313 1.00 0.00 O ATOM 0 H SER A 92 -9.955 0.884 5.609 1.00 0.00 H new ATOM 0 HA SER A 92 -10.557 -0.218 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.916 1.224 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.677 1.420 2.676 1.00 0.00 H new ATOM 0 HG SER A 92 -13.884 -0.499 3.183 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.527 0.784 1.769 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.821 1.350 0.631 1.00 0.00 C ATOM 1275 C VAL A 93 -9.648 1.129 -0.638 1.00 0.00 C ATOM 1276 O VAL A 93 -9.094 0.997 -1.728 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.415 0.756 0.540 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.822 0.533 1.933 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.419 -0.542 -0.269 1.00 0.00 C ATOM 0 H VAL A 93 -9.439 -0.228 1.865 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.697 2.426 0.754 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.782 1.473 0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.822 0.110 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.765 1.485 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.456 -0.155 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.407 -0.943 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.074 -1.268 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.779 -0.341 -1.278 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.960 1.095 -0.452 1.00 0.00 N ATOM 1290 CA ILE A 94 -11.867 0.893 -1.568 1.00 0.00 C ATOM 1291 C ILE A 94 -11.821 2.115 -2.487 1.00 0.00 C ATOM 1292 O ILE A 94 -12.533 3.093 -2.261 1.00 0.00 O ATOM 1293 CB ILE A 94 -13.271 0.556 -1.063 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -13.309 -0.839 -0.435 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -14.308 0.711 -2.178 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -14.744 -1.252 -0.104 1.00 0.00 C ATOM 0 H ILE A 94 -11.415 1.204 0.454 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.552 0.036 -2.163 1.00 0.00 H new ATOM 0 HB ILE A 94 -13.531 1.268 -0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.867 -1.562 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -12.705 -0.850 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -15.297 0.465 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.304 1.740 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -14.062 0.038 -3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.743 -2.247 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -15.174 -0.540 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.339 -1.264 -1.017 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.977 2.022 -3.503 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.828 3.109 -4.456 1.00 0.00 C ATOM 1309 C GLY A 95 -9.574 3.932 -4.157 1.00 0.00 C ATOM 1310 O GLY A 95 -8.970 4.502 -5.065 1.00 0.00 O ATOM 0 H GLY A 95 -10.388 1.210 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.770 2.706 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.707 3.753 -4.419 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.217 3.967 -2.881 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.047 4.712 -2.453 1.00 0.00 C ATOM 1316 C LYS A 96 -6.803 4.131 -3.129 1.00 0.00 C ATOM 1317 O LYS A 96 -6.754 2.940 -3.428 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.960 4.740 -0.925 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.179 5.439 -0.318 1.00 0.00 C ATOM 1320 CD LYS A 96 -9.031 5.579 1.199 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.713 6.854 1.699 1.00 0.00 C ATOM 1322 NZ LYS A 96 -8.741 7.968 1.768 1.00 0.00 N ATOM 0 H LYS A 96 -9.718 3.491 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.123 5.754 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.893 3.722 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.050 5.256 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.299 6.425 -0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.081 4.871 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.468 4.711 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.974 5.599 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.533 7.120 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.146 6.680 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.126 8.728 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.848 7.625 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.565 8.335 0.811 1.00 0.00 H new ATOM 1332 N THR A 97 -5.829 5.002 -3.350 1.00 0.00 N ATOM 1333 CA THR A 97 -4.588 4.591 -3.985 1.00 0.00 C ATOM 1334 C THR A 97 -3.447 4.572 -2.965 1.00 0.00 C ATOM 1335 O THR A 97 -3.642 4.923 -1.803 1.00 0.00 O ATOM 1336 CB THR A 97 -4.330 5.528 -5.167 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.023 5.174 -5.612 1.00 0.00 O ATOM 1338 CG2 THR A 97 -4.193 6.990 -4.739 1.00 0.00 C ATOM 0 H THR A 97 -5.874 5.990 -3.101 1.00 0.00 H new ATOM 0 HA THR A 97 -4.657 3.572 -4.367 1.00 0.00 H new ATOM 0 HB THR A 97 -5.144 5.436 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.776 5.732 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.011 7.610 -5.616 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.112 7.314 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 97 -3.358 7.089 -4.045 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.281 4.158 -3.438 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.108 4.086 -2.582 1.00 0.00 C ATOM 1348 C TYR A 98 -0.953 5.367 -1.760 1.00 0.00 C ATOM 1349 O TYR A 98 -1.058 5.340 -0.535 1.00 0.00 O ATOM 1350 CB TYR A 98 0.091 3.949 -3.521 1.00 0.00 C ATOM 1351 CG TYR A 98 1.434 3.828 -2.799 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.652 2.791 -1.915 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.430 4.755 -3.033 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.918 2.676 -1.236 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.693 4.641 -2.353 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.876 3.608 -1.489 1.00 0.00 C ATOM 1357 OH TYR A 98 5.070 3.500 -0.848 1.00 0.00 O ATOM 0 H TYR A 98 -2.123 3.869 -4.403 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.190 3.252 -1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.052 3.071 -4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.122 4.814 -4.183 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.873 2.065 -1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.261 5.566 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.102 1.869 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.479 5.361 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 98 5.658 4.233 -1.126 1.00 0.00 H new ATOM 1366 N SER A 99 -0.705 6.460 -2.467 1.00 0.00 N ATOM 1367 CA SER A 99 -0.533 7.749 -1.818 1.00 0.00 C ATOM 1368 C SER A 99 -1.563 7.911 -0.698 1.00 0.00 C ATOM 1369 O SER A 99 -1.214 8.290 0.419 1.00 0.00 O ATOM 1370 CB SER A 99 -0.659 8.895 -2.825 1.00 0.00 C ATOM 1371 OG SER A 99 -0.917 8.419 -4.144 1.00 0.00 O ATOM 0 H SER A 99 -0.619 6.479 -3.483 1.00 0.00 H new ATOM 0 HA SER A 99 0.469 7.786 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.464 9.562 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.260 9.481 -2.824 1.00 0.00 H new ATOM 0 HG SER A 99 -0.993 9.180 -4.757 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.809 7.619 -1.037 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.892 7.727 -0.073 1.00 0.00 C ATOM 1378 C GLN A 100 -3.604 6.854 1.149 1.00 0.00 C ATOM 1379 O GLN A 100 -3.299 7.366 2.226 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.233 7.356 -0.710 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.761 8.498 -1.580 1.00 0.00 C ATOM 1382 CD GLN A 100 -7.291 8.542 -1.556 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.797 9.194 -0.513 1.00 0.00 O flip ATOM 1384 NE2 GLN A 100 -7.966 8.019 -2.427 1.00 0.00 N flip ATOM 0 H GLN A 100 -3.094 7.308 -1.966 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.959 8.765 0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.116 6.457 -1.315 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.958 7.123 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.360 9.447 -1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.413 8.370 -2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.513 7.534 -3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.984 8.067 -2.381 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.710 5.549 0.943 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.466 4.599 2.015 1.00 0.00 C ATOM 1393 C VAL A 101 -2.174 4.980 2.742 1.00 0.00 C ATOM 1394 O VAL A 101 -2.125 4.971 3.971 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.439 3.176 1.456 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.793 2.800 0.849 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.314 3.008 0.435 1.00 0.00 C ATOM 0 H VAL A 101 -3.962 5.127 0.049 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.274 4.631 2.746 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.242 2.495 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.747 1.783 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.565 2.859 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.033 3.489 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.318 1.987 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.465 3.704 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.356 3.213 0.912 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.162 5.303 1.953 1.00 0.00 N ATOM 1408 CA ILE A 102 0.126 5.686 2.505 1.00 0.00 C ATOM 1409 C ILE A 102 -0.090 6.658 3.667 1.00 0.00 C ATOM 1410 O ILE A 102 0.433 6.452 4.761 1.00 0.00 O ATOM 1411 CB ILE A 102 1.041 6.233 1.407 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.625 5.098 0.565 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.130 7.130 1.998 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.602 4.253 1.387 1.00 0.00 C ATOM 0 H ILE A 102 -1.207 5.308 0.934 1.00 0.00 H new ATOM 0 HA ILE A 102 0.640 4.814 2.909 1.00 0.00 H new ATOM 0 HB ILE A 102 0.442 6.853 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.819 4.467 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.137 5.511 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.766 7.506 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.668 7.969 2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.733 6.555 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.003 3.453 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.419 4.882 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.080 3.822 2.241 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.864 7.698 3.390 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.157 8.703 4.398 1.00 0.00 C ATOM 1427 C ALA A 103 -1.845 8.036 5.591 1.00 0.00 C ATOM 1428 O ALA A 103 -1.504 8.311 6.741 1.00 0.00 O ATOM 1429 CB ALA A 103 -2.008 9.813 3.780 1.00 0.00 C ATOM 0 H ALA A 103 -1.297 7.866 2.482 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.238 9.162 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.228 10.567 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.463 10.274 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.941 9.391 3.407 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.800 7.173 5.277 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.539 6.466 6.310 1.00 0.00 C ATOM 1437 C LEU A 104 -2.553 5.765 7.246 1.00 0.00 C ATOM 1438 O LEU A 104 -2.873 5.495 8.402 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.567 5.524 5.682 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.656 6.187 4.835 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.615 5.143 4.260 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.391 7.265 5.632 1.00 0.00 C ATOM 0 H LEU A 104 -3.079 6.947 4.322 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.112 7.167 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.037 4.804 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.049 4.960 6.481 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.177 6.683 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.379 5.641 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.060 4.446 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.090 4.597 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.159 7.720 5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.856 6.815 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.682 8.030 5.950 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.372 5.488 6.710 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.337 4.824 7.484 1.00 0.00 C ATOM 1455 C ILE A 105 0.471 5.871 8.253 1.00 0.00 C ATOM 1456 O ILE A 105 0.697 5.728 9.453 1.00 0.00 O ATOM 1457 CB ILE A 105 0.515 3.930 6.582 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.254 2.671 6.172 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.851 3.592 7.247 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.276 2.109 4.852 1.00 0.00 C ATOM 0 H ILE A 105 -1.110 5.711 5.750 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.782 4.159 8.224 1.00 0.00 H new ATOM 0 HB ILE A 105 0.740 4.483 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.166 1.916 6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.314 2.905 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.437 2.955 6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.401 4.512 7.446 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.668 3.068 8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.288 1.215 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.164 2.857 4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.330 1.854 4.962 1.00 0.00 H new ATOM 1471 N GLN A 106 0.887 6.899 7.528 1.00 0.00 N ATOM 1472 CA GLN A 106 1.667 7.970 8.126 1.00 0.00 C ATOM 1473 C GLN A 106 0.873 8.640 9.249 1.00 0.00 C ATOM 1474 O GLN A 106 1.449 9.088 10.240 1.00 0.00 O ATOM 1475 CB GLN A 106 2.093 8.993 7.072 1.00 0.00 C ATOM 1476 CG GLN A 106 3.109 8.388 6.100 1.00 0.00 C ATOM 1477 CD GLN A 106 4.384 9.232 6.044 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.884 9.714 7.045 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.878 9.382 4.818 1.00 0.00 N ATOM 0 H GLN A 106 0.699 7.013 6.532 1.00 0.00 H new ATOM 0 HA GLN A 106 2.572 7.539 8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.218 9.339 6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.527 9.865 7.561 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.354 7.372 6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.670 8.320 5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.408 8.950 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.727 9.929 4.674 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.438 8.687 9.059 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.316 9.295 10.045 1.00 0.00 C ATOM 1488 C ASN A 107 -1.920 8.200 10.927 1.00 0.00 C ATOM 1489 O ASN A 107 -2.866 8.451 11.672 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.465 10.046 9.370 1.00 0.00 C ATOM 1491 CG ASN A 107 -2.060 11.483 9.035 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -1.720 12.275 9.898 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -2.116 11.773 7.739 1.00 0.00 N ATOM 0 H ASN A 107 -0.913 8.314 8.237 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.726 9.995 10.637 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.758 9.525 8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.335 10.053 10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.865 12.707 7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.410 11.062 7.069 1.00 0.00 H new ATOM 1499 N SER A 108 -1.348 7.010 10.814 1.00 0.00 N ATOM 1500 CA SER A 108 -1.819 5.877 11.591 1.00 0.00 C ATOM 1501 C SER A 108 -1.711 6.187 13.085 1.00 0.00 C ATOM 1502 O SER A 108 -2.407 5.583 13.901 1.00 0.00 O ATOM 1503 CB SER A 108 -1.029 4.611 11.254 1.00 0.00 C ATOM 1504 OG SER A 108 0.349 4.734 11.598 1.00 0.00 O ATOM 0 H SER A 108 -0.563 6.806 10.196 1.00 0.00 H new ATOM 0 HA SER A 108 -2.864 5.699 11.337 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.461 3.762 11.784 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.119 4.400 10.188 1.00 0.00 H new ATOM 0 HG SER A 108 0.864 4.983 10.802 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.833 7.128 13.400 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.625 7.526 14.782 1.00 0.00 C ATOM 1511 C ASP A 109 0.316 6.528 15.459 1.00 0.00 C ATOM 1512 O ASP A 109 1.156 5.915 14.800 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.944 7.532 15.558 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.036 8.580 16.668 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.860 9.773 16.338 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.282 8.166 17.821 1.00 0.00 O ATOM 0 H ASP A 109 -0.257 7.627 12.722 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.201 8.530 14.784 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.761 7.696 14.855 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.095 6.546 15.997 1.00 0.00 H new ATOM 1520 N THR A 110 0.146 6.396 16.767 1.00 0.00 N ATOM 1521 CA THR A 110 0.971 5.483 17.539 1.00 0.00 C ATOM 1522 C THR A 110 0.897 4.071 16.955 1.00 0.00 C ATOM 1523 O THR A 110 1.924 3.437 16.723 1.00 0.00 O ATOM 1524 CB THR A 110 0.519 5.561 19.000 1.00 0.00 C ATOM 1525 OG1 THR A 110 0.951 6.848 19.429 1.00 0.00 O ATOM 1526 CG2 THR A 110 1.287 4.592 19.902 1.00 0.00 C ATOM 0 H THR A 110 -0.550 6.906 17.311 1.00 0.00 H new ATOM 0 HA THR A 110 2.023 5.764 17.492 1.00 0.00 H new ATOM 0 HB THR A 110 -0.548 5.348 19.061 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.697 6.983 20.366 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.928 4.687 20.927 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.130 3.570 19.556 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.351 4.827 19.867 1.00 0.00 H new ATOM 1534 N THR A 111 -0.330 3.621 16.732 1.00 0.00 N ATOM 1535 CA THR A 111 -0.552 2.296 16.178 1.00 0.00 C ATOM 1536 C THR A 111 -0.890 2.391 14.690 1.00 0.00 C ATOM 1537 O THR A 111 -1.051 3.486 14.153 1.00 0.00 O ATOM 1538 CB THR A 111 -1.641 1.613 17.007 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.379 2.696 17.569 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.077 0.877 18.223 1.00 0.00 C ATOM 0 H THR A 111 -1.180 4.151 16.925 1.00 0.00 H new ATOM 0 HA THR A 111 0.350 1.686 16.236 1.00 0.00 H new ATOM 0 HB THR A 111 -2.188 0.910 16.379 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.108 2.344 18.121 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.892 0.410 18.776 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.377 0.110 17.892 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.559 1.586 18.869 1.00 0.00 H new ATOM 1548 N LEU A 112 -0.988 1.227 14.063 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.304 1.165 12.646 1.00 0.00 C ATOM 1550 C LEU A 112 -1.854 -0.224 12.311 1.00 0.00 C ATOM 1551 O LEU A 112 -1.127 -1.214 12.374 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.088 1.563 11.807 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.236 1.400 10.293 1.00 0.00 C ATOM 1554 CD1 LEU A 112 0.282 0.035 9.836 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.681 1.642 9.853 1.00 0.00 C ATOM 0 H LEU A 112 -0.854 0.320 14.510 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.083 1.886 12.398 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.149 2.606 12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.765 0.969 12.135 1.00 0.00 H new ATOM 0 HG LEU A 112 0.379 2.157 9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.165 -0.055 8.756 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.336 -0.060 10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.286 -0.754 10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.758 1.520 8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.337 0.925 10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.980 2.654 10.126 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.130 -0.251 11.963 1.00 0.00 N ATOM 1567 CA GLU A 113 -3.785 -1.503 11.618 1.00 0.00 C ATOM 1568 C GLU A 113 -3.823 -1.681 10.099 1.00 0.00 C ATOM 1569 O GLU A 113 -3.864 -0.700 9.356 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.194 -1.566 12.213 1.00 0.00 C ATOM 1571 CG GLU A 113 -5.967 -2.768 11.666 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.381 -2.820 12.246 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -7.564 -2.261 13.347 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.248 -3.418 11.573 1.00 0.00 O ATOM 0 H GLU A 113 -3.729 0.573 11.912 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.208 -2.323 12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.131 -1.633 13.299 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.732 -0.647 11.981 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.018 -2.708 10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.436 -3.688 11.910 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.810 -2.938 9.681 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.843 -3.257 8.265 1.00 0.00 C ATOM 1581 C LEU A 114 -4.788 -4.436 8.034 1.00 0.00 C ATOM 1582 O LEU A 114 -5.303 -5.020 8.985 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.426 -3.491 7.735 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.454 -2.318 7.879 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.004 -2.807 7.900 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.691 -1.273 6.786 1.00 0.00 C ATOM 0 H LEU A 114 -3.777 -3.748 10.300 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.237 -2.416 7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.004 -4.353 8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.493 -3.754 6.679 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.644 -1.832 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.666 -1.954 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.139 -3.485 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.217 -3.331 6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.987 -0.450 6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.544 -1.730 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.710 -0.894 6.860 1.00 0.00 H new ATOM 1597 N SER A 115 -4.989 -4.754 6.763 1.00 0.00 N ATOM 1598 CA SER A 115 -5.863 -5.853 6.394 1.00 0.00 C ATOM 1599 C SER A 115 -5.444 -6.423 5.037 1.00 0.00 C ATOM 1600 O SER A 115 -5.235 -5.674 4.084 1.00 0.00 O ATOM 1601 CB SER A 115 -7.325 -5.405 6.353 1.00 0.00 C ATOM 1602 OG SER A 115 -7.564 -4.286 7.203 1.00 0.00 O ATOM 0 H SER A 115 -4.560 -4.268 5.975 1.00 0.00 H new ATOM 0 HA SER A 115 -5.771 -6.631 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.597 -5.147 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.967 -6.233 6.654 1.00 0.00 H new ATOM 0 HG SER A 115 -8.426 -4.397 7.655 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.335 -7.742 4.994 1.00 0.00 N ATOM 1608 CA VAL A 116 -4.945 -8.422 3.771 1.00 0.00 C ATOM 1609 C VAL A 116 -5.941 -9.546 3.476 1.00 0.00 C ATOM 1610 O VAL A 116 -6.984 -9.642 4.121 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.502 -8.916 3.882 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.557 -7.771 4.253 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.392 -10.064 4.888 1.00 0.00 C ATOM 0 H VAL A 116 -5.510 -8.359 5.787 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.973 -7.733 2.927 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.202 -9.295 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.537 -8.150 4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.603 -6.998 3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.856 -7.349 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.356 -10.397 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.720 -9.721 5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.021 -10.893 4.564 1.00 0.00 H new ATOM 1623 N MET A 117 -5.585 -10.369 2.500 1.00 0.00 N ATOM 1624 CA MET A 117 -6.434 -11.482 2.113 1.00 0.00 C ATOM 1625 C MET A 117 -5.609 -12.756 1.912 1.00 0.00 C ATOM 1626 O MET A 117 -5.039 -12.968 0.845 1.00 0.00 O ATOM 1627 CB MET A 117 -7.167 -11.138 0.814 1.00 0.00 C ATOM 1628 CG MET A 117 -8.257 -10.094 1.061 1.00 0.00 C ATOM 1629 SD MET A 117 -9.867 -10.816 0.788 1.00 0.00 S ATOM 1630 CE MET A 117 -10.249 -11.355 2.446 1.00 0.00 C ATOM 0 H MET A 117 -4.720 -10.287 1.966 1.00 0.00 H new ATOM 0 HA MET A 117 -7.155 -11.660 2.911 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.456 -10.760 0.080 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.611 -12.040 0.393 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.187 -9.717 2.081 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.114 -9.242 0.396 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.344 -12.441 2.463 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.449 -11.050 3.121 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.187 -10.904 2.768 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.576 -13.592 2.984 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.831 -14.840 2.937 1.00 0.00 C ATOM 1640 C PRO A 118 -5.569 -15.886 2.098 1.00 0.00 C ATOM 1641 O PRO A 118 -6.699 -15.658 1.667 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.661 -15.252 4.389 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.710 -14.475 5.168 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.240 -13.373 4.264 1.00 0.00 C ATOM 0 HA PRO A 118 -3.860 -14.734 2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.801 -16.326 4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.658 -15.020 4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.519 -15.135 5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.277 -14.051 6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.324 -13.431 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.010 -12.386 4.666 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.900 -17.011 1.895 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.479 -18.095 1.116 1.00 0.00 C ATOM 1651 C LYS A 119 -5.735 -19.293 2.032 1.00 0.00 C ATOM 1652 O LYS A 119 -5.482 -19.226 3.234 1.00 0.00 O ATOM 1653 CB LYS A 119 -4.594 -18.420 -0.088 1.00 0.00 C ATOM 1654 CG LYS A 119 -5.335 -18.147 -1.400 1.00 0.00 C ATOM 1655 CD LYS A 119 -4.361 -17.709 -2.498 1.00 0.00 C ATOM 1656 CE LYS A 119 -5.016 -16.698 -3.440 1.00 0.00 C ATOM 1657 NZ LYS A 119 -4.943 -17.171 -4.841 1.00 0.00 N ATOM 0 H LYS A 119 -3.964 -17.197 2.255 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.443 -17.796 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.684 -17.821 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.289 -19.466 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.865 -19.045 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.085 -17.372 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.473 -17.268 -2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.031 -18.579 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.057 -16.548 -3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.518 -15.732 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.392 -16.473 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.947 -17.292 -5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.438 -18.082 -4.926 1.00 0.00 H new