USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= -0.54! C(o=-3.9!,f=-5.6!) USER MOD Set 1.2: A 108 SER OG : rot -40:sc= -3.34! USER MOD Single : A 10 LYS NZ :NH3+ 136:sc= -0.205 (180deg=-2.17!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0383 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= -0.334 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.275 K(o=-0.28,f=-2.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 78:sc= -0.469 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 36:sc= 0.00357 USER MOD Single : A 96 LYS NZ :NH3+ -138:sc= 0.504 (180deg=-0.005) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0476 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 107 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.44) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00118 USER MOD Single : A 111 THR OG1 : rot 72:sc= 0.151 USER MOD Single : A 115 SER OG : rot -150:sc= -0.988 USER MOD Single : A 117 MET CE :methyl 164:sc= -0.169 (180deg=-0.399) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.588 -10.901 7.737 1.00 0.00 N ATOM 70 CA PRO A 9 -11.302 -10.667 7.104 1.00 0.00 C ATOM 71 C PRO A 9 -10.163 -10.771 8.120 1.00 0.00 C ATOM 72 O PRO A 9 -10.405 -10.879 9.322 1.00 0.00 O ATOM 73 CB PRO A 9 -11.417 -9.285 6.481 1.00 0.00 C ATOM 74 CG PRO A 9 -12.586 -8.609 7.178 1.00 0.00 C ATOM 75 CD PRO A 9 -13.360 -9.679 7.931 1.00 0.00 C ATOM 0 HA PRO A 9 -11.064 -11.414 6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.498 -8.716 6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.590 -9.354 5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.229 -7.841 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.229 -8.113 6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.450 -9.432 8.989 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.372 -9.784 7.541 1.00 0.00 H new ATOM 80 N LYS A 10 -8.945 -10.734 7.602 1.00 0.00 N ATOM 81 CA LYS A 10 -7.767 -10.822 8.449 1.00 0.00 C ATOM 82 C LYS A 10 -7.397 -9.424 8.949 1.00 0.00 C ATOM 83 O LYS A 10 -7.455 -8.456 8.193 1.00 0.00 O ATOM 84 CB LYS A 10 -6.630 -11.535 7.714 1.00 0.00 C ATOM 85 CG LYS A 10 -5.287 -11.279 8.402 1.00 0.00 C ATOM 86 CD LYS A 10 -4.537 -12.591 8.644 1.00 0.00 C ATOM 87 CE LYS A 10 -3.285 -12.674 7.768 1.00 0.00 C ATOM 88 NZ LYS A 10 -2.841 -14.080 7.634 1.00 0.00 N ATOM 0 H LYS A 10 -8.747 -10.644 6.605 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.976 -11.430 9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.828 -12.606 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.586 -11.188 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.679 -10.616 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.452 -10.769 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.256 -12.666 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.193 -13.435 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.494 -12.257 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.487 -12.074 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.591 -14.272 6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.010 -14.241 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.610 -14.716 7.927 1.00 0.00 H new ATOM 98 N THR A 11 -7.025 -9.365 10.218 1.00 0.00 N ATOM 99 CA THR A 11 -6.645 -8.100 10.828 1.00 0.00 C ATOM 100 C THR A 11 -5.287 -8.230 11.520 1.00 0.00 C ATOM 101 O THR A 11 -5.006 -9.240 12.162 1.00 0.00 O ATOM 102 CB THR A 11 -7.770 -7.675 11.773 1.00 0.00 C ATOM 103 OG1 THR A 11 -8.959 -7.888 11.017 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.768 -6.170 12.046 1.00 0.00 C ATOM 0 H THR A 11 -6.978 -10.171 10.842 1.00 0.00 H new ATOM 0 HA THR A 11 -6.519 -7.320 10.077 1.00 0.00 H new ATOM 0 HB THR A 11 -7.675 -8.215 12.715 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.739 -7.639 11.556 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.586 -5.922 12.722 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.820 -5.884 12.503 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.896 -5.630 11.108 1.00 0.00 H new ATOM 112 N VAL A 12 -4.478 -7.190 11.363 1.00 0.00 N ATOM 113 CA VAL A 12 -3.156 -7.174 11.966 1.00 0.00 C ATOM 114 C VAL A 12 -2.842 -5.760 12.459 1.00 0.00 C ATOM 115 O VAL A 12 -3.061 -4.786 11.743 1.00 0.00 O ATOM 116 CB VAL A 12 -2.122 -7.702 10.969 1.00 0.00 C ATOM 117 CG1 VAL A 12 -1.993 -9.224 11.068 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.467 -7.273 9.542 1.00 0.00 C ATOM 0 H VAL A 12 -4.713 -6.354 10.828 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.122 -7.835 12.832 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.156 -7.266 11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.252 -9.574 10.349 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.679 -9.498 12.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.956 -9.686 10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.716 -7.661 8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.446 -7.667 9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.484 -6.185 9.483 1.00 0.00 H new ATOM 128 N THR A 13 -2.335 -5.694 13.682 1.00 0.00 N ATOM 129 CA THR A 13 -1.990 -4.417 14.281 1.00 0.00 C ATOM 130 C THR A 13 -0.478 -4.191 14.218 1.00 0.00 C ATOM 131 O THR A 13 0.298 -5.143 14.264 1.00 0.00 O ATOM 132 CB THR A 13 -2.549 -4.395 15.704 1.00 0.00 C ATOM 133 OG1 THR A 13 -3.822 -5.026 15.588 1.00 0.00 O ATOM 134 CG2 THR A 13 -2.877 -2.979 16.183 1.00 0.00 C ATOM 0 H THR A 13 -2.155 -6.505 14.274 1.00 0.00 H new ATOM 0 HA THR A 13 -2.435 -3.588 13.730 1.00 0.00 H new ATOM 0 HB THR A 13 -1.828 -4.850 16.383 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.254 -5.056 16.467 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.270 -3.020 17.199 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.972 -2.371 16.169 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.622 -2.535 15.523 1.00 0.00 H new ATOM 142 N LEU A 14 -0.105 -2.923 14.115 1.00 0.00 N ATOM 143 CA LEU A 14 1.299 -2.559 14.046 1.00 0.00 C ATOM 144 C LEU A 14 1.535 -1.294 14.873 1.00 0.00 C ATOM 145 O LEU A 14 0.874 -0.278 14.662 1.00 0.00 O ATOM 146 CB LEU A 14 1.750 -2.435 12.590 1.00 0.00 C ATOM 147 CG LEU A 14 1.693 -3.718 11.758 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.350 -3.843 11.034 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.875 -3.796 10.789 1.00 0.00 C ATOM 0 H LEU A 14 -0.752 -2.135 14.078 1.00 0.00 H new ATOM 0 HA LEU A 14 1.917 -3.344 14.481 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.132 -1.681 12.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.775 -2.063 12.578 1.00 0.00 H new ATOM 0 HG LEU A 14 1.775 -4.568 12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.336 -4.763 10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.457 -3.865 11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.214 -2.990 10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.811 -4.717 10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.849 -2.941 10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.808 -3.786 11.352 1.00 0.00 H new ATOM 160 N LYS A 15 2.480 -1.395 15.795 1.00 0.00 N ATOM 161 CA LYS A 15 2.811 -0.272 16.656 1.00 0.00 C ATOM 162 C LYS A 15 4.045 0.444 16.099 1.00 0.00 C ATOM 163 O LYS A 15 5.121 -0.144 16.013 1.00 0.00 O ATOM 164 CB LYS A 15 2.971 -0.735 18.104 1.00 0.00 C ATOM 165 CG LYS A 15 1.737 -1.509 18.572 1.00 0.00 C ATOM 166 CD LYS A 15 1.775 -2.955 18.073 1.00 0.00 C ATOM 167 CE LYS A 15 1.225 -3.914 19.130 1.00 0.00 C ATOM 168 NZ LYS A 15 2.307 -4.369 20.032 1.00 0.00 N ATOM 0 H LYS A 15 3.028 -2.238 15.965 1.00 0.00 H new ATOM 0 HA LYS A 15 1.997 0.453 16.667 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.855 -1.366 18.192 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.130 0.128 18.750 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.687 -1.497 19.661 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.835 -1.018 18.207 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.190 -3.043 17.157 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.800 -3.231 17.824 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.446 -3.418 19.709 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.763 -4.774 18.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.916 -5.019 20.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.037 -4.861 19.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.729 -3.547 20.509 1.00 0.00 H new ATOM 178 N ARG A 16 3.844 1.703 15.736 1.00 0.00 N ATOM 179 CA ARG A 16 4.926 2.505 15.190 1.00 0.00 C ATOM 180 C ARG A 16 6.212 2.274 15.988 1.00 0.00 C ATOM 181 O ARG A 16 6.300 2.660 17.153 1.00 0.00 O ATOM 182 CB ARG A 16 4.576 3.994 15.219 1.00 0.00 C ATOM 183 CG ARG A 16 5.654 4.824 14.519 1.00 0.00 C ATOM 184 CD ARG A 16 5.037 5.755 13.473 1.00 0.00 C ATOM 185 NE ARG A 16 5.935 6.905 13.227 1.00 0.00 N ATOM 186 CZ ARG A 16 6.099 7.926 14.078 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.425 7.949 15.237 1.00 0.00 N ATOM 188 NH2 ARG A 16 6.935 8.927 13.770 1.00 0.00 N ATOM 0 H ARG A 16 2.949 2.187 15.809 1.00 0.00 H new ATOM 0 HA ARG A 16 5.077 2.199 14.155 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.614 4.155 14.732 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.469 4.326 16.252 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.201 5.412 15.256 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.375 4.161 14.041 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.867 5.210 12.544 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.065 6.109 13.817 1.00 0.00 H new ATOM 0 HE ARG A 16 6.462 6.921 12.354 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.787 7.188 15.471 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.551 8.727 15.885 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.446 8.911 12.888 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.060 9.705 14.418 1.00 0.00 H new ATOM 264 N GLY A 22 7.339 -2.004 10.322 1.00 0.00 N ATOM 265 CA GLY A 22 8.138 -3.158 9.947 1.00 0.00 C ATOM 266 C GLY A 22 7.999 -3.456 8.453 1.00 0.00 C ATOM 267 O GLY A 22 8.841 -3.049 7.654 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.185 -2.975 10.190 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.824 -4.026 10.526 1.00 0.00 H new ATOM 271 N PHE A 23 6.930 -4.165 8.119 1.00 0.00 N ATOM 272 CA PHE A 23 6.671 -4.522 6.735 1.00 0.00 C ATOM 273 C PHE A 23 6.840 -3.313 5.814 1.00 0.00 C ATOM 274 O PHE A 23 7.050 -2.196 6.286 1.00 0.00 O ATOM 275 CB PHE A 23 5.221 -5.006 6.663 1.00 0.00 C ATOM 276 CG PHE A 23 4.190 -3.876 6.617 1.00 0.00 C ATOM 277 CD1 PHE A 23 3.769 -3.292 7.770 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.695 -3.454 5.423 1.00 0.00 C ATOM 279 CE1 PHE A 23 2.813 -2.245 7.729 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.739 -2.406 5.380 1.00 0.00 C ATOM 281 CZ PHE A 23 2.317 -1.823 6.534 1.00 0.00 C ATOM 0 H PHE A 23 6.233 -4.502 8.784 1.00 0.00 H new ATOM 0 HA PHE A 23 7.374 -5.290 6.411 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.101 -5.630 5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.016 -5.637 7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.163 -3.626 8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.030 -3.917 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.479 -1.783 8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.347 -2.071 4.431 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.589 -1.026 6.502 1.00 0.00 H new ATOM 290 N THR A 24 6.740 -3.574 4.520 1.00 0.00 N ATOM 291 CA THR A 24 6.877 -2.520 3.530 1.00 0.00 C ATOM 292 C THR A 24 6.002 -2.816 2.310 1.00 0.00 C ATOM 293 O THR A 24 5.500 -3.928 2.158 1.00 0.00 O ATOM 294 CB THR A 24 8.364 -2.382 3.191 1.00 0.00 C ATOM 295 OG1 THR A 24 8.403 -1.345 2.215 1.00 0.00 O ATOM 296 CG2 THR A 24 8.914 -3.606 2.457 1.00 0.00 C ATOM 0 H THR A 24 6.565 -4.502 4.133 1.00 0.00 H new ATOM 0 HA THR A 24 6.525 -1.564 3.919 1.00 0.00 H new ATOM 0 HB THR A 24 8.932 -2.224 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.331 -1.189 1.940 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.972 -3.456 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.794 -4.490 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.369 -3.746 1.523 1.00 0.00 H new ATOM 304 N LEU A 25 5.845 -1.800 1.474 1.00 0.00 N ATOM 305 CA LEU A 25 5.039 -1.936 0.274 1.00 0.00 C ATOM 306 C LEU A 25 5.953 -1.916 -0.954 1.00 0.00 C ATOM 307 O LEU A 25 7.131 -1.577 -0.849 1.00 0.00 O ATOM 308 CB LEU A 25 3.943 -0.870 0.242 1.00 0.00 C ATOM 309 CG LEU A 25 2.954 -0.889 1.409 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.562 -2.323 1.773 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.511 -0.124 2.611 1.00 0.00 C ATOM 0 H LEU A 25 6.263 -0.879 1.605 1.00 0.00 H new ATOM 0 HA LEU A 25 4.520 -2.894 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.418 0.110 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.382 -0.982 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 25 2.044 -0.377 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.858 -2.308 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.096 -2.802 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.453 -2.882 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.789 -0.153 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.444 -0.585 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.698 0.912 2.328 1.00 0.00 H new ATOM 322 N ARG A 26 5.375 -2.284 -2.088 1.00 0.00 N ATOM 323 CA ARG A 26 6.122 -2.313 -3.333 1.00 0.00 C ATOM 324 C ARG A 26 5.406 -1.483 -4.401 1.00 0.00 C ATOM 325 O ARG A 26 4.196 -1.273 -4.321 1.00 0.00 O ATOM 326 CB ARG A 26 6.292 -3.746 -3.841 1.00 0.00 C ATOM 327 CG ARG A 26 7.631 -3.917 -4.562 1.00 0.00 C ATOM 328 CD ARG A 26 7.418 -4.353 -6.013 1.00 0.00 C ATOM 329 NE ARG A 26 7.530 -5.826 -6.120 1.00 0.00 N ATOM 330 CZ ARG A 26 8.690 -6.496 -6.087 1.00 0.00 C ATOM 331 NH1 ARG A 26 9.845 -5.831 -5.950 1.00 0.00 N ATOM 332 NH2 ARG A 26 8.694 -7.833 -6.191 1.00 0.00 N ATOM 0 H ARG A 26 4.398 -2.565 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 26 7.107 -1.890 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.234 -4.442 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.475 -3.995 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.184 -2.978 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.237 -4.658 -4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.437 -4.028 -6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.157 -3.876 -6.657 1.00 0.00 H new ATOM 0 HE ARG A 26 6.670 -6.364 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.842 -4.814 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.728 -6.342 -5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.815 -8.339 -6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.577 -8.344 -6.166 1.00 0.00 H new ATOM 862 N ILE A 63 -0.833 -2.349 -3.718 1.00 0.00 N ATOM 863 CA ILE A 63 0.159 -2.168 -2.672 1.00 0.00 C ATOM 864 C ILE A 63 0.901 -3.487 -2.446 1.00 0.00 C ATOM 865 O ILE A 63 2.085 -3.600 -2.757 1.00 0.00 O ATOM 866 CB ILE A 63 -0.491 -1.602 -1.407 1.00 0.00 C ATOM 867 CG1 ILE A 63 -0.928 -0.152 -1.619 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.439 -1.749 -0.201 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.450 -0.022 -1.536 1.00 0.00 C ATOM 0 HA ILE A 63 0.903 -1.431 -2.976 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.389 -2.182 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.463 0.486 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.582 0.198 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.046 -1.339 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.660 -2.804 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.367 -1.209 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.735 1.019 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.911 -0.642 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.790 -0.350 -0.554 1.00 0.00 H new ATOM 880 N PHE A 64 0.171 -4.452 -1.903 1.00 0.00 N ATOM 881 CA PHE A 64 0.745 -5.759 -1.631 1.00 0.00 C ATOM 882 C PHE A 64 1.954 -5.644 -0.700 1.00 0.00 C ATOM 883 O PHE A 64 2.556 -4.578 -0.587 1.00 0.00 O ATOM 884 CB PHE A 64 1.203 -6.336 -2.972 1.00 0.00 C ATOM 885 CG PHE A 64 0.313 -7.460 -3.504 1.00 0.00 C ATOM 886 CD1 PHE A 64 0.076 -8.559 -2.738 1.00 0.00 C ATOM 887 CD2 PHE A 64 -0.244 -7.359 -4.741 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.752 -9.602 -3.232 1.00 0.00 C ATOM 889 CE2 PHE A 64 -1.071 -8.403 -5.233 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.308 -9.503 -4.469 1.00 0.00 C ATOM 0 H PHE A 64 -0.811 -4.354 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 64 0.005 -6.396 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.236 -5.533 -3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.220 -6.712 -2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.517 -8.638 -1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.057 -6.486 -5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.940 -10.475 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.513 -8.324 -6.215 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.937 -10.297 -4.844 1.00 0.00 H new ATOM 899 N VAL A 65 2.270 -6.757 -0.055 1.00 0.00 N ATOM 900 CA VAL A 65 3.396 -6.796 0.864 1.00 0.00 C ATOM 901 C VAL A 65 4.649 -7.246 0.109 1.00 0.00 C ATOM 902 O VAL A 65 4.560 -8.004 -0.854 1.00 0.00 O ATOM 903 CB VAL A 65 3.065 -7.689 2.060 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.304 -7.927 2.926 1.00 0.00 C ATOM 905 CG2 VAL A 65 1.922 -7.096 2.888 1.00 0.00 C ATOM 0 H VAL A 65 1.766 -7.639 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 65 3.597 -5.802 1.264 1.00 0.00 H new ATOM 0 HB VAL A 65 2.734 -8.654 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.041 -8.565 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.076 -8.413 2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.678 -6.972 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.707 -7.751 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.212 -6.112 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.032 -7.002 2.265 1.00 0.00 H new ATOM 915 N LYS A 66 5.788 -6.758 0.577 1.00 0.00 N ATOM 916 CA LYS A 66 7.059 -7.102 -0.041 1.00 0.00 C ATOM 917 C LYS A 66 7.926 -7.856 0.970 1.00 0.00 C ATOM 918 O LYS A 66 8.304 -9.002 0.735 1.00 0.00 O ATOM 919 CB LYS A 66 7.730 -5.852 -0.615 1.00 0.00 C ATOM 920 CG LYS A 66 9.066 -6.200 -1.271 1.00 0.00 C ATOM 921 CD LYS A 66 10.226 -5.503 -0.558 1.00 0.00 C ATOM 922 CE LYS A 66 11.178 -4.854 -1.564 1.00 0.00 C ATOM 923 NZ LYS A 66 11.732 -3.594 -1.015 1.00 0.00 N ATOM 0 H LYS A 66 5.858 -6.128 1.376 1.00 0.00 H new ATOM 0 HA LYS A 66 6.903 -7.770 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.072 -5.385 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.890 -5.123 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.216 -7.279 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.048 -5.903 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.837 -4.744 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.771 -6.226 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.989 -5.542 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.649 -4.651 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.376 -3.166 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.955 -2.933 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.254 -3.797 -0.139 1.00 0.00 H new ATOM 933 N GLN A 67 8.217 -7.180 2.072 1.00 0.00 N ATOM 934 CA GLN A 67 9.032 -7.772 3.119 1.00 0.00 C ATOM 935 C GLN A 67 8.409 -7.505 4.491 1.00 0.00 C ATOM 936 O GLN A 67 7.563 -6.623 4.632 1.00 0.00 O ATOM 937 CB GLN A 67 10.468 -7.247 3.058 1.00 0.00 C ATOM 938 CG GLN A 67 11.362 -8.191 2.252 1.00 0.00 C ATOM 939 CD GLN A 67 12.284 -8.994 3.173 1.00 0.00 C ATOM 940 OE1 GLN A 67 12.418 -8.716 4.352 1.00 0.00 O ATOM 941 NE2 GLN A 67 12.909 -10.000 2.569 1.00 0.00 N ATOM 0 H GLN A 67 7.903 -6.228 2.262 1.00 0.00 H new ATOM 0 HA GLN A 67 9.066 -8.850 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.478 -6.256 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.863 -7.140 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.744 -8.872 1.667 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.960 -7.616 1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.750 -10.177 1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.547 -10.595 3.098 1.00 0.00 H new ATOM 948 N VAL A 68 8.852 -8.284 5.468 1.00 0.00 N ATOM 949 CA VAL A 68 8.349 -8.143 6.823 1.00 0.00 C ATOM 950 C VAL A 68 9.527 -8.101 7.798 1.00 0.00 C ATOM 951 O VAL A 68 10.292 -9.060 7.895 1.00 0.00 O ATOM 952 CB VAL A 68 7.357 -9.266 7.133 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.029 -9.312 8.627 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.085 -9.119 6.296 1.00 0.00 C ATOM 0 H VAL A 68 9.554 -9.014 5.347 1.00 0.00 H new ATOM 0 HA VAL A 68 7.803 -7.206 6.932 1.00 0.00 H new ATOM 0 HB VAL A 68 7.827 -10.212 6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.322 -10.119 8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.943 -9.487 9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.588 -8.363 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.396 -9.929 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.611 -8.163 6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.340 -9.160 5.237 1.00 0.00 H new ATOM 964 N LYS A 69 9.637 -6.981 8.497 1.00 0.00 N ATOM 965 CA LYS A 69 10.710 -6.801 9.461 1.00 0.00 C ATOM 966 C LYS A 69 10.771 -8.021 10.381 1.00 0.00 C ATOM 967 O LYS A 69 10.023 -8.108 11.353 1.00 0.00 O ATOM 968 CB LYS A 69 10.543 -5.476 10.207 1.00 0.00 C ATOM 969 CG LYS A 69 11.897 -4.799 10.432 1.00 0.00 C ATOM 970 CD LYS A 69 11.992 -4.221 11.844 1.00 0.00 C ATOM 971 CE LYS A 69 13.241 -3.350 11.997 1.00 0.00 C ATOM 972 NZ LYS A 69 12.933 -2.135 12.784 1.00 0.00 N ATOM 0 H LYS A 69 9.000 -6.188 8.415 1.00 0.00 H new ATOM 0 HA LYS A 69 11.672 -6.735 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.891 -4.813 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.057 -5.653 11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.699 -5.521 10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.036 -4.004 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.103 -3.629 12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.018 -5.032 12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.030 -3.919 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.617 -3.068 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.791 -1.555 12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.195 -1.585 12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.595 -2.410 13.729 1.00 0.00 H new ATOM 982 N GLU A 70 11.671 -8.934 10.042 1.00 0.00 N ATOM 983 CA GLU A 70 11.840 -10.145 10.825 1.00 0.00 C ATOM 984 C GLU A 70 12.205 -9.796 12.270 1.00 0.00 C ATOM 985 O GLU A 70 13.375 -9.592 12.587 1.00 0.00 O ATOM 986 CB GLU A 70 12.894 -11.061 10.200 1.00 0.00 C ATOM 987 CG GLU A 70 12.746 -12.495 10.709 1.00 0.00 C ATOM 988 CD GLU A 70 13.009 -13.504 9.589 1.00 0.00 C ATOM 989 OE1 GLU A 70 12.472 -13.276 8.483 1.00 0.00 O ATOM 990 OE2 GLU A 70 13.740 -14.480 9.864 1.00 0.00 O ATOM 0 H GLU A 70 12.290 -8.858 9.235 1.00 0.00 H new ATOM 0 HA GLU A 70 10.894 -10.686 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.797 -11.045 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.891 -10.689 10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.443 -12.667 11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.742 -12.642 11.107 1.00 0.00 H new ATOM 995 N GLY A 71 11.179 -9.738 13.108 1.00 0.00 N ATOM 996 CA GLY A 71 11.377 -9.418 14.511 1.00 0.00 C ATOM 997 C GLY A 71 10.748 -8.066 14.859 1.00 0.00 C ATOM 998 O GLY A 71 11.001 -7.517 15.930 1.00 0.00 O ATOM 0 H GLY A 71 10.209 -9.907 12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.937 -10.199 15.131 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.443 -9.396 14.736 1.00 0.00 H new ATOM 1002 N GLY A 72 9.941 -7.570 13.933 1.00 0.00 N ATOM 1003 CA GLY A 72 9.274 -6.294 14.128 1.00 0.00 C ATOM 1004 C GLY A 72 7.806 -6.496 14.511 1.00 0.00 C ATOM 1005 O GLY A 72 7.443 -7.528 15.072 1.00 0.00 O ATOM 0 H GLY A 72 9.734 -8.029 13.046 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.783 -5.729 14.909 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.337 -5.703 13.214 1.00 0.00 H new ATOM 1009 N PRO A 73 6.980 -5.465 14.187 1.00 0.00 N ATOM 1010 CA PRO A 73 5.561 -5.519 14.491 1.00 0.00 C ATOM 1011 C PRO A 73 4.829 -6.456 13.527 1.00 0.00 C ATOM 1012 O PRO A 73 4.295 -7.483 13.941 1.00 0.00 O ATOM 1013 CB PRO A 73 5.084 -4.079 14.396 1.00 0.00 C ATOM 1014 CG PRO A 73 6.141 -3.341 13.593 1.00 0.00 C ATOM 1015 CD PRO A 73 7.375 -4.226 13.521 1.00 0.00 C ATOM 0 HA PRO A 73 5.358 -5.928 15.481 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.112 -4.021 13.907 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.969 -3.640 15.387 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.773 -3.118 12.592 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.382 -2.388 14.064 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.672 -4.409 12.488 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.225 -3.762 14.020 1.00 0.00 H new ATOM 1020 N ALA A 74 4.827 -6.066 12.261 1.00 0.00 N ATOM 1021 CA ALA A 74 4.169 -6.858 11.235 1.00 0.00 C ATOM 1022 C ALA A 74 4.475 -8.339 11.466 1.00 0.00 C ATOM 1023 O ALA A 74 3.562 -9.152 11.604 1.00 0.00 O ATOM 1024 CB ALA A 74 4.618 -6.378 9.853 1.00 0.00 C ATOM 0 H ALA A 74 5.270 -5.212 11.922 1.00 0.00 H new ATOM 0 HA ALA A 74 3.088 -6.733 11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.125 -6.972 9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.351 -5.329 9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.698 -6.491 9.762 1.00 0.00 H new ATOM 1030 N PHE A 75 5.764 -8.645 11.501 1.00 0.00 N ATOM 1031 CA PHE A 75 6.202 -10.015 11.712 1.00 0.00 C ATOM 1032 C PHE A 75 5.403 -10.679 12.836 1.00 0.00 C ATOM 1033 O PHE A 75 4.916 -11.797 12.679 1.00 0.00 O ATOM 1034 CB PHE A 75 7.676 -9.955 12.119 1.00 0.00 C ATOM 1035 CG PHE A 75 8.142 -11.152 12.949 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.059 -12.410 12.436 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.640 -10.960 14.200 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.491 -13.520 13.208 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.073 -12.070 14.971 1.00 0.00 C ATOM 1040 CZ PHE A 75 8.989 -13.328 14.458 1.00 0.00 C ATOM 0 H PHE A 75 6.519 -7.968 11.387 1.00 0.00 H new ATOM 0 HA PHE A 75 6.053 -10.597 10.803 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.288 -9.889 11.220 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.848 -9.042 12.689 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.665 -12.563 11.442 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.706 -9.962 14.607 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.424 -14.518 12.802 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.469 -11.917 15.964 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.318 -14.173 15.044 1.00 0.00 H new ATOM 1049 N GLU A 76 5.294 -9.961 13.945 1.00 0.00 N ATOM 1050 CA GLU A 76 4.563 -10.467 15.094 1.00 0.00 C ATOM 1051 C GLU A 76 3.059 -10.466 14.809 1.00 0.00 C ATOM 1052 O GLU A 76 2.394 -11.490 14.962 1.00 0.00 O ATOM 1053 CB GLU A 76 4.882 -9.652 16.350 1.00 0.00 C ATOM 1054 CG GLU A 76 6.392 -9.598 16.598 1.00 0.00 C ATOM 1055 CD GLU A 76 6.794 -10.541 17.733 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.277 -10.334 18.852 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.610 -11.446 17.457 1.00 0.00 O ATOM 0 H GLU A 76 5.700 -9.034 14.072 1.00 0.00 H new ATOM 0 HA GLU A 76 4.879 -11.494 15.277 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.491 -8.640 16.241 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.384 -10.095 17.212 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.924 -9.872 15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.687 -8.578 16.845 1.00 0.00 H new ATOM 1062 N ALA A 77 2.567 -9.306 14.399 1.00 0.00 N ATOM 1063 CA ALA A 77 1.154 -9.159 14.092 1.00 0.00 C ATOM 1064 C ALA A 77 0.660 -10.416 13.374 1.00 0.00 C ATOM 1065 O ALA A 77 -0.505 -10.790 13.498 1.00 0.00 O ATOM 1066 CB ALA A 77 0.943 -7.892 13.260 1.00 0.00 C ATOM 0 H ALA A 77 3.121 -8.459 14.272 1.00 0.00 H new ATOM 0 HA ALA A 77 0.571 -9.051 15.006 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.116 -7.781 13.029 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.284 -7.025 13.825 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.511 -7.967 12.332 1.00 0.00 H new ATOM 1072 N GLY A 78 1.571 -11.035 12.636 1.00 0.00 N ATOM 1073 CA GLY A 78 1.241 -12.243 11.897 1.00 0.00 C ATOM 1074 C GLY A 78 1.347 -12.008 10.389 1.00 0.00 C ATOM 1075 O GLY A 78 0.964 -12.869 9.597 1.00 0.00 O ATOM 0 H GLY A 78 2.537 -10.723 12.534 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.913 -13.049 12.191 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.230 -12.563 12.149 1.00 0.00 H new ATOM 1079 N LEU A 79 1.864 -10.841 10.038 1.00 0.00 N ATOM 1080 CA LEU A 79 2.024 -10.483 8.638 1.00 0.00 C ATOM 1081 C LEU A 79 3.104 -11.366 8.011 1.00 0.00 C ATOM 1082 O LEU A 79 3.728 -12.172 8.699 1.00 0.00 O ATOM 1083 CB LEU A 79 2.294 -8.984 8.497 1.00 0.00 C ATOM 1084 CG LEU A 79 1.581 -8.280 7.338 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.134 -7.949 7.706 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.358 -7.041 6.890 1.00 0.00 C ATOM 0 H LEU A 79 2.178 -10.130 10.698 1.00 0.00 H new ATOM 0 HA LEU A 79 1.102 -10.670 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.005 -8.494 9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.368 -8.838 8.380 1.00 0.00 H new ATOM 0 HG LEU A 79 1.548 -8.963 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.350 -7.450 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.402 -8.869 7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.121 -7.292 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.831 -6.559 6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.443 -6.344 7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.354 -7.336 6.560 1.00 0.00 H new ATOM 1097 N CYS A 80 3.292 -11.182 6.712 1.00 0.00 N ATOM 1098 CA CYS A 80 4.288 -11.951 5.985 1.00 0.00 C ATOM 1099 C CYS A 80 4.376 -11.397 4.561 1.00 0.00 C ATOM 1100 O CYS A 80 4.047 -10.236 4.321 1.00 0.00 O ATOM 1101 CB CYS A 80 3.966 -13.446 5.996 1.00 0.00 C ATOM 1102 SG CYS A 80 2.587 -13.800 4.846 1.00 0.00 S ATOM 0 H CYS A 80 2.772 -10.512 6.145 1.00 0.00 H new ATOM 0 HA CYS A 80 5.257 -11.851 6.474 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.847 -14.018 5.706 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.699 -13.761 7.005 1.00 0.00 H new ATOM 0 HG CYS A 80 3.034 -13.820 3.625 1.00 0.00 H new ATOM 1107 N THR A 81 4.822 -12.253 3.653 1.00 0.00 N ATOM 1108 CA THR A 81 4.958 -11.864 2.259 1.00 0.00 C ATOM 1109 C THR A 81 3.814 -12.448 1.429 1.00 0.00 C ATOM 1110 O THR A 81 3.503 -13.634 1.540 1.00 0.00 O ATOM 1111 CB THR A 81 6.343 -12.301 1.780 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.483 -13.626 2.284 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.471 -11.523 2.460 1.00 0.00 C ATOM 0 H THR A 81 5.094 -13.215 3.855 1.00 0.00 H new ATOM 0 HA THR A 81 4.884 -10.783 2.140 1.00 0.00 H new ATOM 0 HB THR A 81 6.411 -12.169 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.354 -13.987 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.432 -11.873 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.362 -10.460 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.424 -11.681 3.537 1.00 0.00 H new ATOM 1121 N GLY A 82 3.218 -11.590 0.614 1.00 0.00 N ATOM 1122 CA GLY A 82 2.116 -12.007 -0.234 1.00 0.00 C ATOM 1123 C GLY A 82 0.826 -11.274 0.142 1.00 0.00 C ATOM 1124 O GLY A 82 0.151 -10.715 -0.721 1.00 0.00 O ATOM 0 H GLY A 82 3.478 -10.608 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.360 -11.808 -1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.968 -13.083 -0.141 1.00 0.00 H new ATOM 1128 N ASP A 83 0.522 -11.302 1.432 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.674 -10.649 1.934 1.00 0.00 C ATOM 1130 C ASP A 83 -0.721 -9.211 1.412 1.00 0.00 C ATOM 1131 O ASP A 83 0.286 -8.507 1.430 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.673 -10.597 3.462 1.00 0.00 C ATOM 1133 CG ASP A 83 -0.975 -11.927 4.155 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -1.449 -12.842 3.446 1.00 0.00 O ATOM 1135 OD2 ASP A 83 -0.725 -12.001 5.377 1.00 0.00 O ATOM 0 H ASP A 83 1.084 -11.767 2.144 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.538 -11.219 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.302 -10.243 3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.409 -9.861 3.786 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.903 -8.818 0.959 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.094 -7.477 0.432 1.00 0.00 C ATOM 1141 C ARG A 84 -3.037 -6.681 1.338 1.00 0.00 C ATOM 1142 O ARG A 84 -3.971 -7.240 1.911 1.00 0.00 O ATOM 1143 CB ARG A 84 -2.672 -7.518 -0.984 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.176 -7.797 -0.955 1.00 0.00 C ATOM 1145 CD ARG A 84 -4.597 -8.657 -2.147 1.00 0.00 C ATOM 1146 NE ARG A 84 -6.056 -8.895 -2.111 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.700 -9.749 -2.918 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -6.015 -10.452 -3.831 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -8.027 -9.902 -2.812 1.00 0.00 N ATOM 0 H ARG A 84 -2.737 -9.404 0.946 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.119 -6.991 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.484 -6.568 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.167 -8.290 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.438 -8.304 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.725 -6.855 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.324 -8.160 -3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.065 -9.608 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.608 -8.376 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.005 -10.336 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.504 -11.102 -4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.548 -9.368 -2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.516 -10.552 -3.427 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.760 -5.391 1.438 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.571 -4.512 2.264 1.00 0.00 C ATOM 1162 C ILE A 85 -4.812 -4.084 1.478 1.00 0.00 C ATOM 1163 O ILE A 85 -4.700 -3.439 0.437 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.736 -3.340 2.782 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.928 -3.746 4.016 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.614 -2.116 3.049 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.111 -5.010 3.745 1.00 0.00 C ATOM 0 H ILE A 85 -1.985 -4.932 0.961 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.921 -5.039 3.152 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.022 -3.061 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.262 -2.932 4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.601 -3.917 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.995 -1.297 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.106 -1.812 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.368 -2.365 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.546 -5.277 4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.782 -5.828 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.422 -4.828 2.921 1.00 0.00 H new ATOM 1178 N ILE A 86 -5.968 -4.460 2.007 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.228 -4.122 1.368 1.00 0.00 C ATOM 1180 C ILE A 86 -7.904 -2.993 2.149 1.00 0.00 C ATOM 1181 O ILE A 86 -8.660 -2.207 1.580 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.101 -5.370 1.211 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.344 -6.042 2.564 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.496 -6.336 0.191 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.377 -7.164 2.439 1.00 0.00 C ATOM 0 H ILE A 86 -6.058 -4.995 2.871 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.056 -3.752 0.357 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.073 -5.062 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.407 -6.446 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.691 -5.302 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.135 -7.214 0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.417 -5.841 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.504 -6.643 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.532 -7.626 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.320 -6.752 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.016 -7.914 1.735 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.610 -2.950 3.440 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.180 -1.932 4.305 1.00 0.00 C ATOM 1198 C LYS A 87 -7.071 -1.313 5.157 1.00 0.00 C ATOM 1199 O LYS A 87 -5.969 -1.854 5.237 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.335 -2.510 5.124 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.451 -3.025 4.212 1.00 0.00 C ATOM 1202 CD LYS A 87 -11.099 -4.282 4.797 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.731 -5.135 3.695 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.392 -6.325 4.275 1.00 0.00 N ATOM 0 H LYS A 87 -6.984 -3.605 3.908 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.613 -1.127 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.969 -3.323 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.730 -1.745 5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.206 -2.250 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.046 -3.246 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.350 -4.867 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.860 -3.999 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.458 -4.542 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.966 -5.447 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.816 -6.893 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.690 -6.898 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.136 -6.022 4.935 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.399 -0.187 5.772 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.445 0.512 6.615 1.00 0.00 C ATOM 1216 C VAL A 88 -7.199 1.303 7.686 1.00 0.00 C ATOM 1217 O VAL A 88 -7.939 2.233 7.370 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.531 1.390 5.756 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.757 2.386 6.620 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.579 0.534 4.920 1.00 0.00 C ATOM 0 H VAL A 88 -8.314 0.259 5.703 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.800 -0.199 7.131 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.160 1.959 5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.116 2.997 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.459 3.028 7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.144 1.844 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.941 1.181 4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.960 -0.073 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.156 -0.117 4.264 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.985 0.904 8.932 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.635 1.564 10.051 1.00 0.00 C ATOM 1232 C ASN A 89 -9.147 1.590 9.813 1.00 0.00 C ATOM 1233 O ASN A 89 -9.829 2.521 10.237 1.00 0.00 O ATOM 1234 CB ASN A 89 -7.155 3.010 10.193 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.630 3.072 10.306 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -5.008 2.345 11.062 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -5.066 3.980 9.515 1.00 0.00 N ATOM 0 H ASN A 89 -6.371 0.132 9.191 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.388 1.011 10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -7.484 3.592 9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.608 3.462 11.075 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.053 4.100 9.518 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.646 4.556 8.906 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.626 0.554 9.139 1.00 0.00 N ATOM 1244 CA GLY A 90 -11.043 0.446 8.841 1.00 0.00 C ATOM 1245 C GLY A 90 -11.424 1.334 7.654 1.00 0.00 C ATOM 1246 O GLY A 90 -12.599 1.448 7.313 1.00 0.00 O ATOM 0 H GLY A 90 -9.057 -0.218 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.293 -0.591 8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.625 0.734 9.716 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.406 1.939 7.059 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.619 2.813 5.918 1.00 0.00 C ATOM 1252 C GLU A 91 -10.418 2.040 4.614 1.00 0.00 C ATOM 1253 O GLU A 91 -9.320 1.557 4.337 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.697 4.033 5.982 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.475 5.322 5.718 1.00 0.00 C ATOM 1256 CD GLU A 91 -9.560 6.545 5.822 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -8.783 6.590 6.799 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -9.662 7.407 4.923 1.00 0.00 O ATOM 0 H GLU A 91 -9.432 1.841 7.346 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.647 3.175 5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.223 4.084 6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.899 3.929 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.925 5.283 4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.291 5.412 6.435 1.00 0.00 H new ATOM 1263 N SER A 92 -11.494 1.948 3.844 1.00 0.00 N ATOM 1264 CA SER A 92 -11.448 1.243 2.575 1.00 0.00 C ATOM 1265 C SER A 92 -10.492 1.954 1.615 1.00 0.00 C ATOM 1266 O SER A 92 -10.591 3.164 1.417 1.00 0.00 O ATOM 1267 CB SER A 92 -12.843 1.138 1.955 1.00 0.00 C ATOM 1268 OG SER A 92 -13.548 2.374 2.013 1.00 0.00 O ATOM 0 H SER A 92 -12.402 2.350 4.076 1.00 0.00 H new ATOM 0 HA SER A 92 -11.083 0.232 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.755 0.820 0.916 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.414 0.370 2.476 1.00 0.00 H new ATOM 0 HG SER A 92 -12.920 3.115 1.887 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.587 1.172 1.045 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.614 1.711 0.111 1.00 0.00 C ATOM 1275 C VAL A 93 -9.256 1.835 -1.273 1.00 0.00 C ATOM 1276 O VAL A 93 -8.815 2.634 -2.096 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.353 0.844 0.109 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.967 0.436 1.532 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -7.534 -0.385 -0.783 1.00 0.00 C ATOM 0 H VAL A 93 -9.507 0.169 1.212 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.305 2.710 0.417 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.538 1.439 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.068 -0.179 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.776 1.329 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.781 -0.133 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.623 -0.984 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.368 -0.982 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.740 -0.066 -1.805 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.287 1.031 -1.485 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.995 1.041 -2.755 1.00 0.00 C ATOM 1291 C ILE A 94 -11.145 2.483 -3.239 1.00 0.00 C ATOM 1292 O ILE A 94 -11.800 3.296 -2.588 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.322 0.290 -2.634 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.090 -1.202 -2.393 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -13.207 0.542 -3.857 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.403 -1.579 -0.943 1.00 0.00 C ATOM 0 H ILE A 94 -10.650 0.368 -0.800 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.423 0.509 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.854 0.676 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.717 -1.785 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.055 -1.454 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.144 -0.003 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.415 1.609 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.692 0.200 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.230 -2.645 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.757 -1.012 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.445 -1.348 -0.724 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.526 2.759 -4.379 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.583 4.090 -4.958 1.00 0.00 C ATOM 1309 C GLY A 95 -9.379 4.929 -4.524 1.00 0.00 C ATOM 1310 O GLY A 95 -8.760 5.604 -5.346 1.00 0.00 O ATOM 0 H GLY A 95 -9.983 2.083 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.607 4.017 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.505 4.585 -4.652 1.00 0.00 H new ATOM 1314 N LYS A 96 -9.084 4.859 -3.235 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.964 5.603 -2.682 1.00 0.00 C ATOM 1316 C LYS A 96 -6.679 5.195 -3.405 1.00 0.00 C ATOM 1317 O LYS A 96 -6.523 4.041 -3.797 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.900 5.425 -1.164 1.00 0.00 C ATOM 1319 CG LYS A 96 -9.078 6.120 -0.480 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.817 6.296 1.019 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.545 7.526 1.562 1.00 0.00 C ATOM 1322 NZ LYS A 96 -10.822 7.132 2.201 1.00 0.00 N ATOM 0 H LYS A 96 -9.601 4.299 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.097 6.672 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.907 4.363 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.963 5.833 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.247 7.094 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.986 5.535 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.148 5.407 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.746 6.395 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.913 8.040 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.738 8.229 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.566 7.808 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.090 6.179 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.707 7.132 3.235 1.00 0.00 H new ATOM 1332 N THR A 97 -5.791 6.167 -3.559 1.00 0.00 N ATOM 1333 CA THR A 97 -4.525 5.923 -4.228 1.00 0.00 C ATOM 1334 C THR A 97 -3.463 5.486 -3.217 1.00 0.00 C ATOM 1335 O THR A 97 -3.560 5.805 -2.032 1.00 0.00 O ATOM 1336 CB THR A 97 -4.146 7.189 -4.999 1.00 0.00 C ATOM 1337 OG1 THR A 97 -2.900 6.864 -5.611 1.00 0.00 O ATOM 1338 CG2 THR A 97 -3.811 8.359 -4.073 1.00 0.00 C ATOM 0 H THR A 97 -5.924 7.124 -3.232 1.00 0.00 H new ATOM 0 HA THR A 97 -4.606 5.103 -4.941 1.00 0.00 H new ATOM 0 HB THR A 97 -4.966 7.471 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.582 7.630 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.549 9.232 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.676 8.591 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.969 8.089 -3.436 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.473 4.764 -3.721 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.394 4.280 -2.875 1.00 0.00 C ATOM 1348 C TYR A 98 -0.944 5.361 -1.890 1.00 0.00 C ATOM 1349 O TYR A 98 -0.709 5.075 -0.716 1.00 0.00 O ATOM 1350 CB TYR A 98 -0.235 3.953 -3.819 1.00 0.00 C ATOM 1351 CG TYR A 98 1.132 3.906 -3.133 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.504 2.788 -2.415 1.00 0.00 C ATOM 1353 CD2 TYR A 98 1.990 4.981 -3.231 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.792 2.743 -1.768 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.277 4.937 -2.584 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.613 3.821 -1.885 1.00 0.00 C ATOM 1357 OH TYR A 98 4.828 3.779 -1.275 1.00 0.00 O ATOM 0 H TYR A 98 -2.395 4.502 -4.704 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.718 3.416 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.426 2.990 -4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.206 4.698 -4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.831 1.947 -2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.698 5.856 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.097 1.874 -1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.959 5.772 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 98 5.308 4.617 -1.444 1.00 0.00 H new ATOM 1366 N SER A 99 -0.837 6.577 -2.402 1.00 0.00 N ATOM 1367 CA SER A 99 -0.419 7.700 -1.581 1.00 0.00 C ATOM 1368 C SER A 99 -1.397 7.892 -0.420 1.00 0.00 C ATOM 1369 O SER A 99 -0.980 8.090 0.720 1.00 0.00 O ATOM 1370 CB SER A 99 -0.323 8.983 -2.411 1.00 0.00 C ATOM 1371 OG SER A 99 0.738 9.825 -1.970 1.00 0.00 O ATOM 0 H SER A 99 -1.033 6.810 -3.376 1.00 0.00 H new ATOM 0 HA SER A 99 0.571 7.482 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.170 8.726 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.266 9.526 -2.350 1.00 0.00 H new ATOM 0 HG SER A 99 0.768 10.632 -2.525 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.679 7.828 -0.750 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.718 7.992 0.251 1.00 0.00 C ATOM 1378 C GLN A 100 -3.535 6.973 1.378 1.00 0.00 C ATOM 1379 O GLN A 100 -3.288 7.346 2.523 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.108 7.872 -0.377 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.591 9.225 -0.902 1.00 0.00 C ATOM 1382 CD GLN A 100 -6.928 9.613 -0.267 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.053 9.764 0.937 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.919 9.767 -1.142 1.00 0.00 N ATOM 0 H GLN A 100 -3.021 7.665 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.632 8.992 0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.081 7.150 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.813 7.492 0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.846 9.990 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.698 9.182 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.747 9.625 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.850 10.027 -0.817 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.664 5.706 1.013 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.517 4.630 1.979 1.00 0.00 C ATOM 1393 C VAL A 101 -2.211 4.822 2.754 1.00 0.00 C ATOM 1394 O VAL A 101 -2.175 4.645 3.970 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.599 3.276 1.271 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.940 3.113 0.554 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.430 3.094 0.299 1.00 0.00 C ATOM 0 H VAL A 101 -3.869 5.400 0.062 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.331 4.652 2.703 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.528 2.496 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.972 2.142 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.751 3.177 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.054 3.903 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.512 2.124 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.455 3.883 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.489 3.145 0.847 1.00 0.00 H new ATOM 1407 N ILE A 102 -1.171 5.181 2.017 1.00 0.00 N ATOM 1408 CA ILE A 102 0.133 5.399 2.619 1.00 0.00 C ATOM 1409 C ILE A 102 -0.011 6.351 3.808 1.00 0.00 C ATOM 1410 O ILE A 102 0.484 6.069 4.898 1.00 0.00 O ATOM 1411 CB ILE A 102 1.138 5.877 1.567 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.562 4.727 0.652 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.338 6.559 2.224 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.798 4.013 1.206 1.00 0.00 C ATOM 0 H ILE A 102 -1.205 5.326 1.008 1.00 0.00 H new ATOM 0 HA ILE A 102 0.534 4.462 3.006 1.00 0.00 H new ATOM 0 HB ILE A 102 0.648 6.623 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.742 4.016 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.776 5.111 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.036 6.889 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.997 7.421 2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.838 5.855 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.079 3.200 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.623 4.721 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.573 3.609 2.193 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.691 7.460 3.557 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.907 8.456 4.593 1.00 0.00 C ATOM 1427 C ALA A 103 -1.753 7.847 5.712 1.00 0.00 C ATOM 1428 O ALA A 103 -1.509 8.101 6.891 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.557 9.697 3.981 1.00 0.00 C ATOM 0 H ALA A 103 -1.100 7.691 2.651 1.00 0.00 H new ATOM 0 HA ALA A 103 0.042 8.767 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.719 10.444 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.903 10.109 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.513 9.424 3.535 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.731 7.051 5.304 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.616 6.403 6.257 1.00 0.00 C ATOM 1437 C LEU A 104 -2.783 5.574 7.236 1.00 0.00 C ATOM 1438 O LEU A 104 -3.244 5.250 8.330 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.691 5.594 5.528 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.774 6.409 4.815 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.768 5.491 4.103 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.469 7.364 5.786 1.00 0.00 C ATOM 0 H LEU A 104 -2.930 6.840 4.326 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.154 7.148 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.201 4.955 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.175 4.936 6.250 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.295 7.021 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.527 6.094 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.241 4.887 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.246 4.837 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.233 7.931 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.934 6.792 6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.736 8.051 6.208 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.569 5.255 6.810 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.668 4.471 7.636 1.00 0.00 C ATOM 1455 C ILE A 105 0.208 5.412 8.466 1.00 0.00 C ATOM 1456 O ILE A 105 0.324 5.249 9.679 1.00 0.00 O ATOM 1457 CB ILE A 105 0.130 3.489 6.775 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.756 2.339 6.291 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.367 2.985 7.521 1.00 0.00 C ATOM 1460 CD1 ILE A 105 -0.167 1.683 5.041 1.00 0.00 C ATOM 0 H ILE A 105 -1.189 5.526 5.903 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.233 3.859 8.339 1.00 0.00 H new ATOM 0 HB ILE A 105 0.482 4.019 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.858 1.596 7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.756 2.713 6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.916 2.289 6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.009 3.829 7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.059 2.477 8.435 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.816 0.869 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.088 2.423 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.823 1.289 5.269 1.00 0.00 H new ATOM 1471 N GLN A 106 0.798 6.378 7.778 1.00 0.00 N ATOM 1472 CA GLN A 106 1.659 7.347 8.435 1.00 0.00 C ATOM 1473 C GLN A 106 0.860 8.160 9.457 1.00 0.00 C ATOM 1474 O GLN A 106 1.338 8.422 10.558 1.00 0.00 O ATOM 1475 CB GLN A 106 2.336 8.263 7.414 1.00 0.00 C ATOM 1476 CG GLN A 106 3.216 7.458 6.456 1.00 0.00 C ATOM 1477 CD GLN A 106 4.637 8.024 6.410 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.302 8.185 7.421 1.00 0.00 O ATOM 1479 NE2 GLN A 106 5.064 8.318 5.185 1.00 0.00 N ATOM 0 H GLN A 106 0.697 6.511 6.772 1.00 0.00 H new ATOM 0 HA GLN A 106 2.444 6.806 8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.579 8.806 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.941 9.007 7.932 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.246 6.416 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.782 7.475 5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.457 8.159 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.999 8.703 5.049 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.345 8.537 9.053 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.215 9.314 9.918 1.00 0.00 C ATOM 1488 C ASN A 107 -2.032 8.366 10.798 1.00 0.00 C ATOM 1489 O ASN A 107 -2.971 8.792 11.471 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.192 10.161 9.099 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.636 11.567 8.864 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -1.116 12.214 9.758 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -1.775 12.001 7.616 1.00 0.00 N ATOM 0 H ASN A 107 -0.739 8.318 8.138 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.590 9.970 10.524 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.384 9.677 8.141 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.147 10.226 9.620 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.436 12.928 7.358 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.220 11.407 6.916 1.00 0.00 H new ATOM 1499 N SER A 108 -1.647 7.099 10.764 1.00 0.00 N ATOM 1500 CA SER A 108 -2.333 6.088 11.550 1.00 0.00 C ATOM 1501 C SER A 108 -2.031 6.287 13.036 1.00 0.00 C ATOM 1502 O SER A 108 -2.636 5.636 13.889 1.00 0.00 O ATOM 1503 CB SER A 108 -1.927 4.680 11.109 1.00 0.00 C ATOM 1504 OG SER A 108 -2.731 3.676 11.722 1.00 0.00 O ATOM 0 H SER A 108 -0.869 6.749 10.205 1.00 0.00 H new ATOM 0 HA SER A 108 -3.405 6.196 11.387 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.012 4.601 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.880 4.509 11.360 1.00 0.00 H new ATOM 0 HG SER A 108 -2.895 3.915 12.658 1.00 0.00 H new ATOM 1509 N ASP A 109 -1.097 7.187 13.302 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.709 7.481 14.672 1.00 0.00 C ATOM 1511 C ASP A 109 0.284 6.420 15.154 1.00 0.00 C ATOM 1512 O ASP A 109 0.924 5.751 14.343 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.920 7.453 15.606 1.00 0.00 C ATOM 1514 CG ASP A 109 -1.849 8.428 16.783 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.301 9.532 16.575 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.345 8.046 17.866 1.00 0.00 O ATOM 0 H ASP A 109 -0.597 7.723 12.593 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.263 8.475 14.690 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.815 7.674 15.024 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.036 6.442 15.997 1.00 0.00 H new ATOM 1520 N THR A 110 0.380 6.300 16.469 1.00 0.00 N ATOM 1521 CA THR A 110 1.284 5.331 17.068 1.00 0.00 C ATOM 1522 C THR A 110 1.003 3.931 16.522 1.00 0.00 C ATOM 1523 O THR A 110 1.869 3.316 15.903 1.00 0.00 O ATOM 1524 CB THR A 110 1.142 5.430 18.589 1.00 0.00 C ATOM 1525 OG1 THR A 110 1.370 6.809 18.869 1.00 0.00 O ATOM 1526 CG2 THR A 110 2.268 4.707 19.329 1.00 0.00 C ATOM 0 H THR A 110 -0.153 6.857 17.137 1.00 0.00 H new ATOM 0 HA THR A 110 2.321 5.544 16.809 1.00 0.00 H new ATOM 0 HB THR A 110 0.182 5.013 18.893 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.295 6.964 19.834 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.120 4.808 20.404 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.261 3.651 19.059 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.226 5.146 19.052 1.00 0.00 H new ATOM 1534 N THR A 111 -0.213 3.465 16.770 1.00 0.00 N ATOM 1535 CA THR A 111 -0.619 2.149 16.310 1.00 0.00 C ATOM 1536 C THR A 111 -1.227 2.237 14.908 1.00 0.00 C ATOM 1537 O THR A 111 -1.754 3.278 14.521 1.00 0.00 O ATOM 1538 CB THR A 111 -1.574 1.559 17.350 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.009 2.687 18.103 1.00 0.00 O ATOM 1540 CG2 THR A 111 -0.852 0.683 18.377 1.00 0.00 C ATOM 0 H THR A 111 -0.930 3.977 17.284 1.00 0.00 H new ATOM 0 HA THR A 111 0.237 1.481 16.217 1.00 0.00 H new ATOM 0 HB THR A 111 -2.341 0.972 16.845 1.00 0.00 H new ATOM 0 HG1 THR A 111 -2.618 3.228 17.559 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.575 0.289 19.092 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.359 -0.144 17.867 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.108 1.279 18.905 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.135 1.128 14.188 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.669 1.069 12.837 1.00 0.00 C ATOM 1550 C LEU A 112 -2.195 -0.344 12.566 1.00 0.00 C ATOM 1551 O LEU A 112 -1.460 -1.320 12.702 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.624 1.540 11.826 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.871 1.140 10.370 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.365 -0.279 10.099 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -2.344 1.304 9.998 1.00 0.00 C ATOM 0 H LEU A 112 -0.700 0.265 14.514 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.512 1.752 12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.561 2.627 11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.348 1.150 12.129 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.302 1.813 9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.552 -0.539 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.706 -0.328 10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.887 -0.982 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.491 1.013 8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.955 0.671 10.642 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.638 2.345 10.128 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.462 -0.405 12.185 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.095 -1.679 11.892 1.00 0.00 C ATOM 1568 C GLU A 113 -4.247 -1.862 10.381 1.00 0.00 C ATOM 1569 O GLU A 113 -4.627 -0.930 9.675 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.449 -1.795 12.596 1.00 0.00 C ATOM 1571 CG GLU A 113 -5.988 -3.224 12.516 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.462 -3.276 12.920 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -7.714 -3.418 14.137 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.307 -3.174 12.004 1.00 0.00 O ATOM 0 H GLU A 113 -4.068 0.408 12.072 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.455 -2.475 12.273 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.346 -1.499 13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.161 -1.108 12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.872 -3.604 11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.405 -3.874 13.169 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.941 -3.070 9.930 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.039 -3.387 8.515 1.00 0.00 C ATOM 1581 C LEU A 114 -5.002 -4.560 8.325 1.00 0.00 C ATOM 1582 O LEU A 114 -5.376 -5.223 9.290 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.649 -3.630 7.923 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.661 -2.466 8.029 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.218 -2.972 8.065 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.886 -1.453 6.904 1.00 0.00 C ATOM 0 H LEU A 114 -3.625 -3.841 10.519 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.452 -2.543 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.212 -4.497 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.764 -3.888 6.870 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.843 -1.948 8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.463 -2.124 8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.083 -3.624 8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.005 -3.529 7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.171 -0.636 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.747 -1.943 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.900 -1.058 6.968 1.00 0.00 H new ATOM 1597 N SER A 115 -5.376 -4.780 7.072 1.00 0.00 N ATOM 1598 CA SER A 115 -6.289 -5.861 6.744 1.00 0.00 C ATOM 1599 C SER A 115 -5.842 -6.546 5.450 1.00 0.00 C ATOM 1600 O SER A 115 -5.711 -5.898 4.413 1.00 0.00 O ATOM 1601 CB SER A 115 -7.723 -5.349 6.604 1.00 0.00 C ATOM 1602 OG SER A 115 -7.991 -4.266 7.492 1.00 0.00 O ATOM 0 H SER A 115 -5.063 -4.228 6.273 1.00 0.00 H new ATOM 0 HA SER A 115 -6.269 -6.585 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.895 -5.027 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.420 -6.163 6.804 1.00 0.00 H new ATOM 0 HG SER A 115 -8.940 -4.272 7.738 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.624 -7.850 5.553 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.196 -8.629 4.405 1.00 0.00 C ATOM 1609 C VAL A 116 -6.143 -9.818 4.218 1.00 0.00 C ATOM 1610 O VAL A 116 -7.134 -9.943 4.936 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.735 -9.051 4.573 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.829 -7.830 4.747 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.576 -10.023 5.744 1.00 0.00 C ATOM 0 H VAL A 116 -5.736 -8.385 6.414 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.245 -8.028 3.497 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.429 -9.569 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.796 -8.157 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.909 -7.189 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.136 -7.272 5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.528 -10.307 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.909 -9.542 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.178 -10.913 5.562 1.00 0.00 H new ATOM 1623 N MET A 117 -5.803 -10.657 3.252 1.00 0.00 N ATOM 1624 CA MET A 117 -6.611 -11.831 2.963 1.00 0.00 C ATOM 1625 C MET A 117 -5.740 -13.085 2.862 1.00 0.00 C ATOM 1626 O MET A 117 -5.000 -13.254 1.894 1.00 0.00 O ATOM 1627 CB MET A 117 -7.362 -11.623 1.645 1.00 0.00 C ATOM 1628 CG MET A 117 -8.060 -10.261 1.622 1.00 0.00 C ATOM 1629 SD MET A 117 -9.830 -10.484 1.570 1.00 0.00 S ATOM 1630 CE MET A 117 -10.176 -10.607 3.318 1.00 0.00 C ATOM 0 H MET A 117 -4.980 -10.548 2.659 1.00 0.00 H new ATOM 0 HA MET A 117 -7.321 -11.969 3.778 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.665 -11.693 0.810 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.098 -12.416 1.513 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.783 -9.686 2.506 1.00 0.00 H new ATOM 0 HG3 MET A 117 -7.731 -9.689 0.754 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.243 -10.465 3.489 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.879 -11.591 3.679 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.617 -9.840 3.854 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.860 -13.952 3.902 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.094 -15.186 3.939 1.00 0.00 C ATOM 1640 C PRO A 118 -5.667 -16.218 2.966 1.00 0.00 C ATOM 1641 O PRO A 118 -6.722 -16.000 2.376 1.00 0.00 O ATOM 1642 CB PRO A 118 -5.151 -15.641 5.389 1.00 0.00 C ATOM 1643 CG PRO A 118 -6.327 -14.905 6.011 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.728 -13.785 5.065 1.00 0.00 C ATOM 0 HA PRO A 118 -4.061 -15.049 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.287 -16.720 5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -4.223 -15.405 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -7.162 -15.587 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.053 -14.502 6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.780 -13.858 4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.588 -12.808 5.527 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.943 -17.319 2.829 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.366 -18.386 1.937 1.00 0.00 C ATOM 1651 C LYS A 119 -4.979 -19.736 2.543 1.00 0.00 C ATOM 1652 O LYS A 119 -5.846 -20.520 2.928 1.00 0.00 O ATOM 1653 CB LYS A 119 -4.807 -18.161 0.530 1.00 0.00 C ATOM 1654 CG LYS A 119 -4.682 -19.484 -0.229 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.060 -20.081 -0.523 1.00 0.00 C ATOM 1656 CE LYS A 119 -5.936 -21.394 -1.297 1.00 0.00 C ATOM 1657 NZ LYS A 119 -7.199 -21.702 -2.001 1.00 0.00 N ATOM 0 H LYS A 119 -4.067 -17.496 3.320 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.451 -18.384 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.459 -17.482 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.830 -17.681 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.145 -19.322 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.094 -20.190 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.592 -20.255 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.653 -19.370 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.120 -21.323 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.688 -22.205 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.097 -22.597 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.970 -21.790 -1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.420 -20.936 -2.669 1.00 0.00 H new