USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 935 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 33 THR OG1 : rot -36:sc= 1.28 USER MOD Set 1.2: A 67 MET CE :methyl -153:sc= 0 (180deg=-0.11) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc=-0.00672 (180deg=-0.118) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 0.675 (180deg=0.475) USER MOD Single : A 31 CYS SG : rot -53:sc= -0.0972 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 36 CYS SG : rot 67:sc= 0.322 USER MOD Single : A 39 CYS SG : rot -80:sc= -1.07 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 73:sc= 1.14 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc=-0.00384 (180deg=-0.0972) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0083) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.99 K(o=2,f=-5.2!) USER MOD Single : A 59 HIS : no HD1:sc= -0.35 X(o=-0.35,f=0.081) USER MOD Single : A 62 ASN : amide:sc= -3.2! K(o=-3.2!,f=-0.048) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 1.06 (180deg=0.994) USER MOD Single : A 65 MET CE :methyl -116:sc= -1.55 (180deg=-3.53!) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0289) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.105 K(o=0.11,f=-0.88) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 78:sc= 0.168 USER MOD Single : A 91 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.1!) USER MOD Single : A 92 SER OG : rot 180:sc= -1.75! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 150:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= -0.013 (180deg=-0.186) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 12.197 -0.477 9.638 1.00 0.00 N ATOM 51 CA GLY A 5 11.241 -1.097 8.748 1.00 0.00 C ATOM 52 C GLY A 5 9.961 -0.287 8.659 1.00 0.00 C ATOM 53 O GLY A 5 9.607 0.414 9.608 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.679 -1.199 7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.013 -2.103 9.100 1.00 0.00 H new ATOM 57 N ILE A 6 9.279 -0.351 7.520 1.00 0.00 N ATOM 58 CA ILE A 6 8.036 0.392 7.340 1.00 0.00 C ATOM 59 C ILE A 6 6.941 -0.183 8.230 1.00 0.00 C ATOM 60 O ILE A 6 6.660 -1.382 8.183 1.00 0.00 O ATOM 61 CB ILE A 6 7.550 0.373 5.876 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.642 0.891 4.940 1.00 0.00 C ATOM 63 CG2 ILE A 6 6.285 1.210 5.731 1.00 0.00 C ATOM 64 CD1 ILE A 6 8.240 0.893 3.480 1.00 0.00 C ATOM 0 H ILE A 6 9.563 -0.906 6.713 1.00 0.00 H new ATOM 0 HA ILE A 6 8.245 1.425 7.618 1.00 0.00 H new ATOM 0 HB ILE A 6 7.322 -0.657 5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.911 1.905 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.534 0.277 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.952 1.189 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.503 0.802 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.494 2.239 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.064 1.273 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.000 -0.123 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.366 1.531 3.344 1.00 0.00 H new ATOM 76 N ALA A 7 6.331 0.669 9.036 1.00 0.00 N ATOM 77 CA ALA A 7 5.289 0.233 9.950 1.00 0.00 C ATOM 78 C ALA A 7 3.921 0.278 9.283 1.00 0.00 C ATOM 79 O ALA A 7 3.189 1.265 9.404 1.00 0.00 O ATOM 80 CB ALA A 7 5.299 1.082 11.215 1.00 0.00 C ATOM 0 H ALA A 7 6.539 1.667 9.076 1.00 0.00 H new ATOM 0 HA ALA A 7 5.493 -0.802 10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.512 0.741 11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.266 0.987 11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.126 2.126 10.954 1.00 0.00 H new ATOM 86 N PHE A 8 3.597 -0.774 8.543 1.00 0.00 N ATOM 87 CA PHE A 8 2.275 -0.910 7.954 1.00 0.00 C ATOM 88 C PHE A 8 1.254 -1.208 9.038 1.00 0.00 C ATOM 89 O PHE A 8 1.368 -2.201 9.762 1.00 0.00 O ATOM 90 CB PHE A 8 2.253 -2.005 6.886 1.00 0.00 C ATOM 91 CG PHE A 8 2.646 -1.515 5.522 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.701 -0.945 4.684 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.952 -1.620 5.078 1.00 0.00 C ATOM 94 CE1 PHE A 8 2.053 -0.487 3.431 1.00 0.00 C ATOM 95 CE2 PHE A 8 4.310 -1.163 3.824 1.00 0.00 C ATOM 96 CZ PHE A 8 3.360 -0.596 2.999 1.00 0.00 C ATOM 0 H PHE A 8 4.233 -1.545 8.337 1.00 0.00 H new ATOM 0 HA PHE A 8 2.019 0.032 7.470 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.928 -2.807 7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.252 -2.433 6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.677 -0.858 5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.700 -2.064 5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.307 -0.044 2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.333 -1.250 3.490 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.638 -0.239 2.018 1.00 0.00 H new ATOM 106 N ARG A 9 0.264 -0.343 9.145 1.00 0.00 N ATOM 107 CA ARG A 9 -0.720 -0.425 10.209 1.00 0.00 C ATOM 108 C ARG A 9 -1.938 -1.197 9.727 1.00 0.00 C ATOM 109 O ARG A 9 -2.530 -0.856 8.705 1.00 0.00 O ATOM 110 CB ARG A 9 -1.117 0.991 10.634 1.00 0.00 C ATOM 111 CG ARG A 9 0.082 1.924 10.745 1.00 0.00 C ATOM 112 CD ARG A 9 -0.333 3.374 10.928 1.00 0.00 C ATOM 113 NE ARG A 9 0.738 4.292 10.532 1.00 0.00 N ATOM 114 CZ ARG A 9 0.880 5.529 11.004 1.00 0.00 C ATOM 115 NH1 ARG A 9 0.089 5.976 11.971 1.00 0.00 N ATOM 116 NH2 ARG A 9 1.833 6.315 10.519 1.00 0.00 N ATOM 0 H ARG A 9 0.119 0.434 8.500 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.296 -0.950 11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.825 1.399 9.912 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.630 0.948 11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.702 1.617 11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.694 1.834 9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.225 3.576 10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.597 3.549 11.971 1.00 0.00 H new ATOM 0 HE ARG A 9 1.420 3.962 9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.635 5.371 12.359 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.205 6.925 12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.454 5.971 9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.944 7.263 10.879 1.00 0.00 H new ATOM 130 N GLU A 10 -2.295 -2.250 10.441 1.00 0.00 N ATOM 131 CA GLU A 10 -3.435 -3.065 10.056 1.00 0.00 C ATOM 132 C GLU A 10 -4.667 -2.723 10.889 1.00 0.00 C ATOM 133 O GLU A 10 -4.846 -3.213 12.006 1.00 0.00 O ATOM 134 CB GLU A 10 -3.095 -4.558 10.145 1.00 0.00 C ATOM 135 CG GLU A 10 -2.227 -4.934 11.336 1.00 0.00 C ATOM 136 CD GLU A 10 -1.826 -6.393 11.317 1.00 0.00 C ATOM 137 OE1 GLU A 10 -1.057 -6.795 10.417 1.00 0.00 O ATOM 138 OE2 GLU A 10 -2.289 -7.153 12.190 1.00 0.00 O ATOM 0 H GLU A 10 -1.815 -2.560 11.286 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.673 -2.839 9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.023 -5.127 10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.584 -4.857 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.331 -4.313 11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.767 -4.720 12.258 1.00 0.00 H new ATOM 145 N LEU A 11 -5.493 -1.852 10.335 1.00 0.00 N ATOM 146 CA LEU A 11 -6.737 -1.444 10.952 1.00 0.00 C ATOM 147 C LEU A 11 -7.911 -1.997 10.152 1.00 0.00 C ATOM 148 O LEU A 11 -7.720 -2.519 9.053 1.00 0.00 O ATOM 149 CB LEU A 11 -6.813 0.081 10.992 1.00 0.00 C ATOM 150 CG LEU A 11 -5.701 0.779 11.783 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.841 2.286 11.676 1.00 0.00 C ATOM 152 CD2 LEU A 11 -5.719 0.344 13.238 1.00 0.00 C ATOM 0 H LEU A 11 -5.314 -1.406 9.435 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.781 -1.833 11.969 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.796 0.455 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.774 0.368 11.420 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.742 0.488 11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.044 2.767 12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.773 2.584 10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.807 2.591 12.078 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.921 0.852 13.780 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.680 0.601 13.683 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.568 -0.734 13.297 1.00 0.00 H new ATOM 164 N SER A 12 -9.113 -1.903 10.707 1.00 0.00 N ATOM 165 CA SER A 12 -10.315 -2.304 9.982 1.00 0.00 C ATOM 166 C SER A 12 -10.554 -1.351 8.811 1.00 0.00 C ATOM 167 O SER A 12 -10.253 -0.161 8.911 1.00 0.00 O ATOM 168 CB SER A 12 -11.519 -2.303 10.923 1.00 0.00 C ATOM 169 OG SER A 12 -11.268 -3.097 12.071 1.00 0.00 O ATOM 0 H SER A 12 -9.282 -1.555 11.651 1.00 0.00 H new ATOM 0 HA SER A 12 -10.179 -3.313 9.593 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.747 -1.281 11.226 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.395 -2.683 10.398 1.00 0.00 H new ATOM 0 HG SER A 12 -12.052 -3.079 12.659 1.00 0.00 H new ATOM 175 N PHE A 13 -11.104 -1.868 7.714 1.00 0.00 N ATOM 176 CA PHE A 13 -11.274 -1.077 6.497 1.00 0.00 C ATOM 177 C PHE A 13 -12.100 0.197 6.739 1.00 0.00 C ATOM 178 O PHE A 13 -11.634 1.295 6.420 1.00 0.00 O ATOM 179 CB PHE A 13 -11.900 -1.917 5.375 1.00 0.00 C ATOM 180 CG PHE A 13 -12.013 -1.177 4.069 1.00 0.00 C ATOM 181 CD1 PHE A 13 -10.907 -1.023 3.249 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.223 -0.631 3.666 1.00 0.00 C ATOM 183 CE1 PHE A 13 -11.004 -0.337 2.054 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.324 0.057 2.473 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.214 0.202 1.665 1.00 0.00 C ATOM 0 H PHE A 13 -11.439 -2.829 7.643 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.277 -0.764 6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.300 -2.815 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.892 -2.244 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.958 -1.444 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.095 -0.745 4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.134 -0.222 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.271 0.481 2.172 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.292 0.736 0.730 1.00 0.00 H new ATOM 195 N PRO A 14 -13.334 0.096 7.294 1.00 0.00 N ATOM 196 CA PRO A 14 -14.164 1.277 7.559 1.00 0.00 C ATOM 197 C PRO A 14 -13.464 2.274 8.475 1.00 0.00 C ATOM 198 O PRO A 14 -13.530 3.486 8.257 1.00 0.00 O ATOM 199 CB PRO A 14 -15.417 0.708 8.240 1.00 0.00 C ATOM 200 CG PRO A 14 -15.032 -0.661 8.688 1.00 0.00 C ATOM 201 CD PRO A 14 -14.020 -1.145 7.695 1.00 0.00 C ATOM 0 HA PRO A 14 -14.385 1.828 6.645 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.722 1.327 9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.259 0.674 7.549 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.614 -0.640 9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.899 -1.321 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.330 -1.863 8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.492 -1.639 6.845 1.00 0.00 H new ATOM 209 N GLU A 15 -12.781 1.744 9.482 1.00 0.00 N ATOM 210 CA GLU A 15 -12.041 2.553 10.436 1.00 0.00 C ATOM 211 C GLU A 15 -10.916 3.317 9.760 1.00 0.00 C ATOM 212 O GLU A 15 -10.769 4.521 9.952 1.00 0.00 O ATOM 213 CB GLU A 15 -11.450 1.662 11.522 1.00 0.00 C ATOM 214 CG GLU A 15 -12.488 1.025 12.428 1.00 0.00 C ATOM 215 CD GLU A 15 -13.392 2.048 13.085 1.00 0.00 C ATOM 216 OE1 GLU A 15 -12.894 2.848 13.903 1.00 0.00 O ATOM 217 OE2 GLU A 15 -14.603 2.044 12.796 1.00 0.00 O ATOM 0 H GLU A 15 -12.726 0.741 9.658 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.737 3.270 10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.861 0.875 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.765 2.253 12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.094 0.329 11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.984 0.442 13.199 1.00 0.00 H new ATOM 224 N ALA A 16 -10.120 2.605 8.974 1.00 0.00 N ATOM 225 CA ALA A 16 -8.974 3.205 8.315 1.00 0.00 C ATOM 226 C ALA A 16 -9.416 4.270 7.319 1.00 0.00 C ATOM 227 O ALA A 16 -8.770 5.308 7.176 1.00 0.00 O ATOM 228 CB ALA A 16 -8.145 2.136 7.622 1.00 0.00 C ATOM 0 H ALA A 16 -10.249 1.612 8.779 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.357 3.688 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.289 2.600 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.794 1.414 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.757 1.627 6.878 1.00 0.00 H new ATOM 234 N LEU A 17 -10.526 4.002 6.639 1.00 0.00 N ATOM 235 CA LEU A 17 -11.105 4.950 5.692 1.00 0.00 C ATOM 236 C LEU A 17 -11.578 6.195 6.427 1.00 0.00 C ATOM 237 O LEU A 17 -11.377 7.326 5.975 1.00 0.00 O ATOM 238 CB LEU A 17 -12.283 4.300 4.966 1.00 0.00 C ATOM 239 CG LEU A 17 -12.812 5.065 3.748 1.00 0.00 C ATOM 240 CD1 LEU A 17 -11.722 5.227 2.699 1.00 0.00 C ATOM 241 CD2 LEU A 17 -14.014 4.347 3.159 1.00 0.00 C ATOM 0 H LEU A 17 -11.046 3.129 6.727 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.346 5.234 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.983 3.303 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.100 4.174 5.676 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.122 6.058 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.119 5.773 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.886 5.780 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.379 4.244 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.381 4.900 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.723 3.343 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.802 4.282 3.909 1.00 0.00 H new ATOM 253 N LYS A 18 -12.215 5.961 7.566 1.00 0.00 N ATOM 254 CA LYS A 18 -12.663 7.032 8.448 1.00 0.00 C ATOM 255 C LYS A 18 -11.474 7.895 8.868 1.00 0.00 C ATOM 256 O LYS A 18 -11.503 9.124 8.749 1.00 0.00 O ATOM 257 CB LYS A 18 -13.331 6.429 9.689 1.00 0.00 C ATOM 258 CG LYS A 18 -14.061 7.443 10.552 1.00 0.00 C ATOM 259 CD LYS A 18 -15.369 7.876 9.907 1.00 0.00 C ATOM 260 CE LYS A 18 -16.124 8.878 10.766 1.00 0.00 C ATOM 261 NZ LYS A 18 -15.371 10.149 10.935 1.00 0.00 N ATOM 0 H LYS A 18 -12.436 5.025 7.905 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.382 7.656 7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.037 5.662 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.571 5.933 10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.262 7.012 11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.425 8.314 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.164 8.317 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.996 7.001 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.092 9.088 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.320 8.440 11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.986 10.860 11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.541 9.983 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.059 10.494 10.005 1.00 0.00 H new ATOM 275 N ARG A 19 -10.428 7.226 9.340 1.00 0.00 N ATOM 276 CA ARG A 19 -9.199 7.872 9.759 1.00 0.00 C ATOM 277 C ARG A 19 -8.568 8.667 8.619 1.00 0.00 C ATOM 278 O ARG A 19 -8.163 9.804 8.815 1.00 0.00 O ATOM 279 CB ARG A 19 -8.221 6.813 10.275 1.00 0.00 C ATOM 280 CG ARG A 19 -6.784 7.273 10.315 1.00 0.00 C ATOM 281 CD ARG A 19 -6.557 8.355 11.351 1.00 0.00 C ATOM 282 NE ARG A 19 -6.785 7.874 12.712 1.00 0.00 N ATOM 283 CZ ARG A 19 -6.238 8.419 13.799 1.00 0.00 C ATOM 284 NH1 ARG A 19 -5.439 9.478 13.693 1.00 0.00 N ATOM 285 NH2 ARG A 19 -6.490 7.903 14.997 1.00 0.00 N ATOM 0 H ARG A 19 -10.414 6.211 9.442 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.433 8.576 10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.523 6.512 11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.291 5.929 9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.138 6.422 10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.497 7.647 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.537 8.729 11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.222 9.195 11.148 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.401 7.071 12.838 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.242 9.878 12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.024 9.890 14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.101 7.091 15.084 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.072 8.319 15.829 1.00 0.00 H new ATOM 299 N ALA A 20 -8.491 8.065 7.437 1.00 0.00 N ATOM 300 CA ALA A 20 -7.875 8.711 6.277 1.00 0.00 C ATOM 301 C ALA A 20 -8.508 10.071 5.996 1.00 0.00 C ATOM 302 O ALA A 20 -7.814 11.037 5.677 1.00 0.00 O ATOM 303 CB ALA A 20 -7.989 7.813 5.052 1.00 0.00 C ATOM 0 H ALA A 20 -8.848 7.127 7.254 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.821 8.873 6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.527 8.305 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.481 6.868 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.040 7.622 4.837 1.00 0.00 H new ATOM 309 N GLU A 21 -9.826 10.144 6.151 1.00 0.00 N ATOM 310 CA GLU A 21 -10.561 11.371 5.879 1.00 0.00 C ATOM 311 C GLU A 21 -10.266 12.456 6.918 1.00 0.00 C ATOM 312 O GLU A 21 -10.029 13.611 6.567 1.00 0.00 O ATOM 313 CB GLU A 21 -12.062 11.088 5.821 1.00 0.00 C ATOM 314 CG GLU A 21 -12.907 12.339 5.660 1.00 0.00 C ATOM 315 CD GLU A 21 -14.358 12.029 5.380 1.00 0.00 C ATOM 316 OE1 GLU A 21 -15.039 11.481 6.271 1.00 0.00 O ATOM 317 OE2 GLU A 21 -14.821 12.326 4.262 1.00 0.00 O ATOM 0 H GLU A 21 -10.406 9.366 6.464 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.228 11.745 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.265 10.412 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.362 10.571 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.836 12.940 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.505 12.942 4.846 1.00 0.00 H new ATOM 324 N VAL A 22 -10.273 12.093 8.195 1.00 0.00 N ATOM 325 CA VAL A 22 -10.027 13.075 9.248 1.00 0.00 C ATOM 326 C VAL A 22 -8.545 13.428 9.329 1.00 0.00 C ATOM 327 O VAL A 22 -8.179 14.536 9.717 1.00 0.00 O ATOM 328 CB VAL A 22 -10.530 12.596 10.629 1.00 0.00 C ATOM 329 CG1 VAL A 22 -12.040 12.430 10.614 1.00 0.00 C ATOM 330 CG2 VAL A 22 -9.856 11.296 11.046 1.00 0.00 C ATOM 0 H VAL A 22 -10.443 11.143 8.525 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.594 13.966 8.980 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.267 13.358 11.363 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.379 12.092 11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.509 13.385 10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.318 11.693 9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.232 10.988 12.021 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.074 10.521 10.311 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.778 11.447 11.105 1.00 0.00 H new ATOM 340 N GLU A 23 -7.701 12.483 8.938 1.00 0.00 N ATOM 341 CA GLU A 23 -6.260 12.692 8.909 1.00 0.00 C ATOM 342 C GLU A 23 -5.891 13.512 7.676 1.00 0.00 C ATOM 343 O GLU A 23 -4.814 14.109 7.608 1.00 0.00 O ATOM 344 CB GLU A 23 -5.540 11.338 8.877 1.00 0.00 C ATOM 345 CG GLU A 23 -4.094 11.383 9.344 1.00 0.00 C ATOM 346 CD GLU A 23 -3.970 11.727 10.814 1.00 0.00 C ATOM 347 OE1 GLU A 23 -4.463 10.949 11.657 1.00 0.00 O ATOM 348 OE2 GLU A 23 -3.385 12.783 11.132 1.00 0.00 O ATOM 0 H GLU A 23 -7.994 11.555 8.633 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.952 13.233 9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.089 10.634 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.568 10.950 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.626 10.416 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.548 12.119 8.754 1.00 0.00 H new ATOM 355 N ASP A 24 -6.815 13.531 6.713 1.00 0.00 N ATOM 356 CA ASP A 24 -6.633 14.246 5.453 1.00 0.00 C ATOM 357 C ASP A 24 -5.404 13.707 4.731 1.00 0.00 C ATOM 358 O ASP A 24 -4.515 14.454 4.326 1.00 0.00 O ATOM 359 CB ASP A 24 -6.522 15.760 5.689 1.00 0.00 C ATOM 360 CG ASP A 24 -6.653 16.560 4.406 1.00 0.00 C ATOM 361 OD1 ASP A 24 -7.795 16.756 3.936 1.00 0.00 O ATOM 362 OD2 ASP A 24 -5.620 16.999 3.858 1.00 0.00 O ATOM 0 H ASP A 24 -7.711 13.050 6.787 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.508 14.081 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.297 16.073 6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.562 15.982 6.155 1.00 0.00 H new ATOM 367 N LYS A 25 -5.361 12.391 4.597 1.00 0.00 N ATOM 368 CA LYS A 25 -4.241 11.712 3.965 1.00 0.00 C ATOM 369 C LYS A 25 -4.756 10.621 3.039 1.00 0.00 C ATOM 370 O LYS A 25 -5.852 10.099 3.241 1.00 0.00 O ATOM 371 CB LYS A 25 -3.319 11.091 5.023 1.00 0.00 C ATOM 372 CG LYS A 25 -2.677 12.106 5.955 1.00 0.00 C ATOM 373 CD LYS A 25 -1.713 13.015 5.212 1.00 0.00 C ATOM 374 CE LYS A 25 -1.246 14.168 6.082 1.00 0.00 C ATOM 375 NZ LYS A 25 -2.373 15.058 6.468 1.00 0.00 N ATOM 0 H LYS A 25 -6.098 11.766 4.922 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.674 12.444 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.892 10.379 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.534 10.527 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.453 12.707 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.146 11.585 6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.851 12.437 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.198 13.407 4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.768 13.776 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.493 14.746 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.997 15.955 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.966 15.248 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.945 14.595 7.202 1.00 0.00 H new ATOM 389 N LEU A 26 -3.970 10.292 2.024 1.00 0.00 N ATOM 390 CA LEU A 26 -4.308 9.196 1.125 1.00 0.00 C ATOM 391 C LEU A 26 -4.317 7.878 1.886 1.00 0.00 C ATOM 392 O LEU A 26 -3.492 7.659 2.778 1.00 0.00 O ATOM 393 CB LEU A 26 -3.306 9.117 -0.033 1.00 0.00 C ATOM 394 CG LEU A 26 -3.326 10.293 -1.006 1.00 0.00 C ATOM 395 CD1 LEU A 26 -2.131 10.222 -1.944 1.00 0.00 C ATOM 396 CD2 LEU A 26 -4.620 10.297 -1.799 1.00 0.00 C ATOM 0 H LEU A 26 -3.095 10.767 1.802 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.301 9.383 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.303 9.031 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.498 8.202 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.265 11.220 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.158 11.067 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.210 10.257 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.168 9.291 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.621 11.141 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.705 9.368 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.465 10.386 -1.116 1.00 0.00 H new ATOM 408 N LEU A 27 -5.256 7.014 1.555 1.00 0.00 N ATOM 409 CA LEU A 27 -5.307 5.700 2.163 1.00 0.00 C ATOM 410 C LEU A 27 -4.532 4.716 1.302 1.00 0.00 C ATOM 411 O LEU A 27 -5.012 4.271 0.258 1.00 0.00 O ATOM 412 CB LEU A 27 -6.758 5.238 2.348 1.00 0.00 C ATOM 413 CG LEU A 27 -6.931 3.875 3.026 1.00 0.00 C ATOM 414 CD1 LEU A 27 -6.375 3.908 4.442 1.00 0.00 C ATOM 415 CD2 LEU A 27 -8.397 3.467 3.033 1.00 0.00 C ATOM 0 H LEU A 27 -5.991 7.197 0.872 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.849 5.747 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.288 5.987 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.238 5.202 1.370 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.371 3.133 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.507 2.931 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.314 4.155 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.906 4.662 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.502 2.497 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.979 4.210 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.761 3.401 2.008 1.00 0.00 H new ATOM 427 N PHE A 28 -3.316 4.412 1.723 1.00 0.00 N ATOM 428 CA PHE A 28 -2.465 3.491 0.993 1.00 0.00 C ATOM 429 C PHE A 28 -2.648 2.079 1.527 1.00 0.00 C ATOM 430 O PHE A 28 -2.205 1.761 2.630 1.00 0.00 O ATOM 431 CB PHE A 28 -1.001 3.921 1.102 1.00 0.00 C ATOM 432 CG PHE A 28 -0.048 3.034 0.353 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.095 3.156 -1.019 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.704 2.081 1.021 1.00 0.00 C ATOM 435 CE1 PHE A 28 0.970 2.344 -1.712 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.582 1.266 0.332 1.00 0.00 C ATOM 437 CZ PHE A 28 1.714 1.398 -1.035 1.00 0.00 C ATOM 0 H PHE A 28 -2.895 4.792 2.571 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.749 3.505 -0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.903 4.940 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.715 3.939 2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.485 3.895 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.603 1.974 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.073 2.448 -2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.164 0.527 0.863 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.399 0.762 -1.575 1.00 0.00 H new ATOM 447 N VAL A 29 -3.315 1.244 0.748 1.00 0.00 N ATOM 448 CA VAL A 29 -3.620 -0.114 1.169 1.00 0.00 C ATOM 449 C VAL A 29 -2.685 -1.115 0.504 1.00 0.00 C ATOM 450 O VAL A 29 -2.566 -1.153 -0.720 1.00 0.00 O ATOM 451 CB VAL A 29 -5.084 -0.486 0.845 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.436 -1.857 1.406 1.00 0.00 C ATOM 453 CG2 VAL A 29 -6.039 0.573 1.381 1.00 0.00 C ATOM 0 H VAL A 29 -3.657 1.483 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.477 -0.155 2.249 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.188 -0.527 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.472 -2.094 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.780 -2.609 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.309 -1.851 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.065 0.292 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.926 0.651 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.810 1.535 0.922 1.00 0.00 H new ATOM 463 N ASP A 30 -2.009 -1.903 1.322 1.00 0.00 N ATOM 464 CA ASP A 30 -1.150 -2.974 0.842 1.00 0.00 C ATOM 465 C ASP A 30 -1.870 -4.312 0.941 1.00 0.00 C ATOM 466 O ASP A 30 -2.272 -4.736 2.031 1.00 0.00 O ATOM 467 CB ASP A 30 0.149 -3.023 1.654 1.00 0.00 C ATOM 468 CG ASP A 30 0.945 -4.295 1.409 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.480 -4.463 0.293 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.052 -5.122 2.340 1.00 0.00 O ATOM 0 H ASP A 30 -2.039 -1.819 2.338 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.906 -2.777 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.764 -2.160 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.087 -2.946 2.715 1.00 0.00 H new ATOM 475 N CYS A 31 -2.078 -4.948 -0.199 1.00 0.00 N ATOM 476 CA CYS A 31 -2.630 -6.292 -0.236 1.00 0.00 C ATOM 477 C CYS A 31 -1.664 -7.214 -0.967 1.00 0.00 C ATOM 478 O CYS A 31 -1.477 -7.093 -2.177 1.00 0.00 O ATOM 479 CB CYS A 31 -3.993 -6.289 -0.934 1.00 0.00 C ATOM 480 SG CYS A 31 -5.217 -5.217 -0.147 1.00 0.00 S ATOM 0 H CYS A 31 -1.872 -4.553 -1.116 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.769 -6.651 0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.860 -5.973 -1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.380 -7.308 -0.959 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.304 -5.512 1.116 1.00 0.00 H new ATOM 486 N PHE A 32 -1.062 -8.140 -0.245 1.00 0.00 N ATOM 487 CA PHE A 32 -0.043 -8.997 -0.824 1.00 0.00 C ATOM 488 C PHE A 32 -0.516 -10.442 -0.909 1.00 0.00 C ATOM 489 O PHE A 32 -1.382 -10.873 -0.149 1.00 0.00 O ATOM 490 CB PHE A 32 1.259 -8.912 -0.018 1.00 0.00 C ATOM 491 CG PHE A 32 1.134 -9.367 1.412 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.665 -8.507 2.390 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.496 -10.655 1.773 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.557 -8.922 3.701 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.388 -11.076 3.083 1.00 0.00 C ATOM 496 CZ PHE A 32 0.919 -10.208 4.049 1.00 0.00 C ATOM 0 H PHE A 32 -1.259 -8.318 0.740 1.00 0.00 H new ATOM 0 HA PHE A 32 0.148 -8.643 -1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.019 -9.515 -0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.613 -7.881 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.380 -7.500 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.866 -11.336 1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.190 -8.241 4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.670 -12.083 3.352 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.835 -10.535 5.075 1.00 0.00 H new ATOM 506 N THR A 33 0.058 -11.172 -1.849 1.00 0.00 N ATOM 507 CA THR A 33 -0.220 -12.590 -2.001 1.00 0.00 C ATOM 508 C THR A 33 0.906 -13.419 -1.369 1.00 0.00 C ATOM 509 O THR A 33 2.063 -12.991 -1.352 1.00 0.00 O ATOM 510 CB THR A 33 -0.360 -12.944 -3.497 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.336 -12.088 -4.105 1.00 0.00 O ATOM 512 CG2 THR A 33 -0.766 -14.398 -3.699 1.00 0.00 C ATOM 0 H THR A 33 0.726 -10.802 -2.525 1.00 0.00 H new ATOM 0 HA THR A 33 -1.156 -12.822 -1.493 1.00 0.00 H new ATOM 0 HB THR A 33 0.613 -12.798 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.060 -11.914 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.854 -14.606 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.010 -15.051 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.725 -14.579 -3.214 1.00 0.00 H new ATOM 520 N THR A 34 0.559 -14.600 -0.857 1.00 0.00 N ATOM 521 CA THR A 34 1.522 -15.501 -0.218 1.00 0.00 C ATOM 522 C THR A 34 2.484 -16.139 -1.221 1.00 0.00 C ATOM 523 O THR A 34 3.151 -17.127 -0.913 1.00 0.00 O ATOM 524 CB THR A 34 0.796 -16.620 0.548 1.00 0.00 C ATOM 525 OG1 THR A 34 -0.301 -17.120 -0.237 1.00 0.00 O ATOM 526 CG2 THR A 34 0.287 -16.121 1.889 1.00 0.00 C ATOM 0 H THR A 34 -0.395 -14.960 -0.873 1.00 0.00 H new ATOM 0 HA THR A 34 2.102 -14.887 0.471 1.00 0.00 H new ATOM 0 HB THR A 34 1.507 -17.425 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.758 -17.833 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.222 -16.932 2.410 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.127 -15.774 2.491 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.410 -15.298 1.730 1.00 0.00 H new ATOM 534 N TRP A 35 2.553 -15.567 -2.412 1.00 0.00 N ATOM 535 CA TRP A 35 3.405 -16.080 -3.472 1.00 0.00 C ATOM 536 C TRP A 35 4.880 -15.909 -3.097 1.00 0.00 C ATOM 537 O TRP A 35 5.748 -16.624 -3.606 1.00 0.00 O ATOM 538 CB TRP A 35 3.083 -15.347 -4.777 1.00 0.00 C ATOM 539 CG TRP A 35 3.615 -16.021 -6.002 1.00 0.00 C ATOM 540 CD1 TRP A 35 3.424 -17.323 -6.364 1.00 0.00 C ATOM 541 CD2 TRP A 35 4.400 -15.426 -7.041 1.00 0.00 C ATOM 542 NE1 TRP A 35 4.050 -17.578 -7.558 1.00 0.00 N ATOM 543 CE2 TRP A 35 4.655 -16.428 -7.995 1.00 0.00 C ATOM 544 CE3 TRP A 35 4.913 -14.143 -7.258 1.00 0.00 C ATOM 545 CZ2 TRP A 35 5.401 -16.188 -9.145 1.00 0.00 C ATOM 546 CZ3 TRP A 35 5.654 -13.908 -8.401 1.00 0.00 C ATOM 547 CH2 TRP A 35 5.890 -14.924 -9.331 1.00 0.00 C ATOM 0 H TRP A 35 2.021 -14.736 -2.671 1.00 0.00 H new ATOM 0 HA TRP A 35 3.217 -17.145 -3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.001 -15.250 -4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.491 -14.337 -4.725 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.862 -18.047 -5.793 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.063 -18.476 -8.041 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.734 -13.351 -6.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.587 -16.971 -9.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.058 -12.922 -8.578 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.471 -14.707 -10.215 1.00 0.00 H new ATOM 558 N CYS A 36 5.142 -14.951 -2.200 1.00 0.00 N ATOM 559 CA CYS A 36 6.484 -14.716 -1.653 1.00 0.00 C ATOM 560 C CYS A 36 7.501 -14.371 -2.739 1.00 0.00 C ATOM 561 O CYS A 36 8.695 -14.649 -2.602 1.00 0.00 O ATOM 562 CB CYS A 36 6.955 -15.934 -0.855 1.00 0.00 C ATOM 563 SG CYS A 36 5.977 -16.256 0.634 1.00 0.00 S ATOM 0 H CYS A 36 4.431 -14.318 -1.833 1.00 0.00 H new ATOM 0 HA CYS A 36 6.414 -13.854 -0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.920 -16.813 -1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.997 -15.789 -0.570 1.00 0.00 H new ATOM 0 HG CYS A 36 4.772 -16.606 0.294 1.00 0.00 H new ATOM 569 N GLY A 37 7.028 -13.751 -3.807 1.00 0.00 N ATOM 570 CA GLY A 37 7.919 -13.302 -4.853 1.00 0.00 C ATOM 571 C GLY A 37 8.373 -11.879 -4.612 1.00 0.00 C ATOM 572 O GLY A 37 9.156 -11.620 -3.691 1.00 0.00 O ATOM 0 H GLY A 37 6.041 -13.550 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.787 -13.960 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.414 -13.367 -5.817 1.00 0.00 H new ATOM 576 N PRO A 38 7.876 -10.926 -5.416 1.00 0.00 N ATOM 577 CA PRO A 38 8.191 -9.506 -5.250 1.00 0.00 C ATOM 578 C PRO A 38 7.855 -8.993 -3.853 1.00 0.00 C ATOM 579 O PRO A 38 8.526 -8.105 -3.343 1.00 0.00 O ATOM 580 CB PRO A 38 7.311 -8.813 -6.291 1.00 0.00 C ATOM 581 CG PRO A 38 7.025 -9.859 -7.308 1.00 0.00 C ATOM 582 CD PRO A 38 6.987 -11.163 -6.565 1.00 0.00 C ATOM 0 HA PRO A 38 9.257 -9.316 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.392 -8.436 -5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.823 -7.959 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.075 -9.667 -7.808 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.794 -9.873 -8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.976 -11.414 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.340 -11.988 -7.183 1.00 0.00 H new ATOM 590 N CYS A 39 6.822 -9.569 -3.235 1.00 0.00 N ATOM 591 CA CYS A 39 6.386 -9.151 -1.902 1.00 0.00 C ATOM 592 C CYS A 39 7.528 -9.226 -0.889 1.00 0.00 C ATOM 593 O CYS A 39 7.779 -8.273 -0.149 1.00 0.00 O ATOM 594 CB CYS A 39 5.225 -10.026 -1.424 1.00 0.00 C ATOM 595 SG CYS A 39 3.776 -9.989 -2.505 1.00 0.00 S ATOM 0 H CYS A 39 6.271 -10.327 -3.637 1.00 0.00 H new ATOM 0 HA CYS A 39 6.058 -8.114 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.573 -11.055 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.928 -9.703 -0.426 1.00 0.00 H new ATOM 0 HG CYS A 39 3.084 -8.915 -2.266 1.00 0.00 H new ATOM 601 N LYS A 40 8.237 -10.348 -0.878 1.00 0.00 N ATOM 602 CA LYS A 40 9.274 -10.572 0.117 1.00 0.00 C ATOM 603 C LYS A 40 10.519 -9.755 -0.205 1.00 0.00 C ATOM 604 O LYS A 40 11.181 -9.235 0.692 1.00 0.00 O ATOM 605 CB LYS A 40 9.621 -12.059 0.214 1.00 0.00 C ATOM 606 CG LYS A 40 10.594 -12.368 1.338 1.00 0.00 C ATOM 607 CD LYS A 40 10.836 -13.858 1.500 1.00 0.00 C ATOM 608 CE LYS A 40 11.760 -14.132 2.674 1.00 0.00 C ATOM 609 NZ LYS A 40 11.956 -15.587 2.906 1.00 0.00 N ATOM 0 H LYS A 40 8.113 -11.112 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 40 8.890 -10.245 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.706 -12.631 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.050 -12.389 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.542 -11.868 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.207 -11.962 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.886 -14.370 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.273 -14.261 0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.726 -13.661 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.348 -13.675 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.593 -15.727 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.038 -16.033 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.374 -16.021 2.058 1.00 0.00 H new ATOM 623 N ARG A 41 10.833 -9.628 -1.485 1.00 0.00 N ATOM 624 CA ARG A 41 11.985 -8.847 -1.896 1.00 0.00 C ATOM 625 C ARG A 41 11.727 -7.362 -1.686 1.00 0.00 C ATOM 626 O ARG A 41 12.639 -6.608 -1.359 1.00 0.00 O ATOM 627 CB ARG A 41 12.351 -9.139 -3.349 1.00 0.00 C ATOM 628 CG ARG A 41 12.872 -10.548 -3.561 1.00 0.00 C ATOM 629 CD ARG A 41 13.625 -10.683 -4.872 1.00 0.00 C ATOM 630 NE ARG A 41 12.753 -10.615 -6.044 1.00 0.00 N ATOM 631 CZ ARG A 41 12.785 -11.508 -7.032 1.00 0.00 C ATOM 632 NH1 ARG A 41 13.579 -12.569 -6.939 1.00 0.00 N ATOM 633 NH2 ARG A 41 12.008 -11.358 -8.099 1.00 0.00 N ATOM 0 H ARG A 41 10.310 -10.053 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 41 12.833 -9.136 -1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.473 -8.985 -3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.107 -8.426 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.530 -10.820 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.038 -11.249 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.374 -9.893 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.161 -11.632 -4.880 1.00 0.00 H new ATOM 0 HE ARG A 41 12.087 -9.845 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.162 -12.699 -6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.605 -13.254 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.382 -10.555 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.037 -12.045 -8.852 1.00 0.00 H new ATOM 647 N LEU A 42 10.475 -6.950 -1.855 1.00 0.00 N ATOM 648 CA LEU A 42 10.079 -5.580 -1.572 1.00 0.00 C ATOM 649 C LEU A 42 10.279 -5.280 -0.091 1.00 0.00 C ATOM 650 O LEU A 42 10.836 -4.247 0.278 1.00 0.00 O ATOM 651 CB LEU A 42 8.613 -5.357 -1.954 1.00 0.00 C ATOM 652 CG LEU A 42 8.109 -3.925 -1.791 1.00 0.00 C ATOM 653 CD1 LEU A 42 8.801 -3.010 -2.786 1.00 0.00 C ATOM 654 CD2 LEU A 42 6.599 -3.867 -1.959 1.00 0.00 C ATOM 0 H LEU A 42 9.718 -7.548 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 42 10.700 -4.907 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.475 -5.658 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.992 -6.015 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 42 8.348 -3.582 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.434 -1.992 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.877 -3.032 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.590 -3.349 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.259 -2.838 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.329 -4.225 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.125 -4.496 -1.206 1.00 0.00 H new ATOM 666 N SER A 43 9.842 -6.216 0.746 1.00 0.00 N ATOM 667 CA SER A 43 9.965 -6.084 2.194 1.00 0.00 C ATOM 668 C SER A 43 11.431 -5.980 2.609 1.00 0.00 C ATOM 669 O SER A 43 11.766 -5.321 3.590 1.00 0.00 O ATOM 670 CB SER A 43 9.309 -7.280 2.888 1.00 0.00 C ATOM 671 OG SER A 43 7.952 -7.418 2.497 1.00 0.00 O ATOM 0 H SER A 43 9.396 -7.082 0.443 1.00 0.00 H new ATOM 0 HA SER A 43 9.456 -5.169 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.855 -8.191 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.368 -7.154 3.969 1.00 0.00 H new ATOM 0 HG SER A 43 7.909 -7.748 1.575 1.00 0.00 H new ATOM 677 N LYS A 44 12.298 -6.618 1.838 1.00 0.00 N ATOM 678 CA LYS A 44 13.720 -6.647 2.140 1.00 0.00 C ATOM 679 C LYS A 44 14.405 -5.340 1.728 1.00 0.00 C ATOM 680 O LYS A 44 15.471 -4.997 2.245 1.00 0.00 O ATOM 681 CB LYS A 44 14.368 -7.831 1.417 1.00 0.00 C ATOM 682 CG LYS A 44 15.809 -8.090 1.820 1.00 0.00 C ATOM 683 CD LYS A 44 16.415 -9.228 1.017 1.00 0.00 C ATOM 684 CE LYS A 44 17.811 -9.570 1.508 1.00 0.00 C ATOM 685 NZ LYS A 44 18.756 -8.434 1.349 1.00 0.00 N ATOM 0 H LYS A 44 12.039 -7.126 0.992 1.00 0.00 H new ATOM 0 HA LYS A 44 13.842 -6.760 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.780 -8.728 1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.329 -7.652 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.398 -7.185 1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.854 -8.329 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.776 -10.108 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.456 -8.951 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.765 -9.857 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.187 -10.433 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.721 -8.752 1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.720 -8.087 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.489 -7.667 1.998 1.00 0.00 H new ATOM 699 N VAL A 45 13.797 -4.609 0.802 1.00 0.00 N ATOM 700 CA VAL A 45 14.433 -3.418 0.253 1.00 0.00 C ATOM 701 C VAL A 45 13.776 -2.119 0.727 1.00 0.00 C ATOM 702 O VAL A 45 14.449 -1.247 1.274 1.00 0.00 O ATOM 703 CB VAL A 45 14.432 -3.446 -1.290 1.00 0.00 C ATOM 704 CG1 VAL A 45 15.091 -2.197 -1.852 1.00 0.00 C ATOM 705 CG2 VAL A 45 15.137 -4.692 -1.803 1.00 0.00 C ATOM 0 H VAL A 45 12.875 -4.816 0.419 1.00 0.00 H new ATOM 0 HA VAL A 45 15.458 -3.434 0.624 1.00 0.00 H new ATOM 0 HB VAL A 45 13.396 -3.470 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 45 15.079 -2.238 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 45 14.545 -1.315 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 45 16.122 -2.141 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 45 15.126 -4.694 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.168 -4.698 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 45 14.623 -5.579 -1.434 1.00 0.00 H new ATOM 715 N VAL A 46 12.465 -1.995 0.545 1.00 0.00 N ATOM 716 CA VAL A 46 11.793 -0.718 0.791 1.00 0.00 C ATOM 717 C VAL A 46 11.537 -0.498 2.282 1.00 0.00 C ATOM 718 O VAL A 46 11.560 0.632 2.757 1.00 0.00 O ATOM 719 CB VAL A 46 10.467 -0.584 -0.006 1.00 0.00 C ATOM 720 CG1 VAL A 46 9.390 -1.507 0.537 1.00 0.00 C ATOM 721 CG2 VAL A 46 9.984 0.859 -0.015 1.00 0.00 C ATOM 0 H VAL A 46 11.852 -2.749 0.233 1.00 0.00 H new ATOM 0 HA VAL A 46 12.472 0.057 0.436 1.00 0.00 H new ATOM 0 HB VAL A 46 10.672 -0.886 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.478 -1.384 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.728 -2.541 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.190 -1.259 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.054 0.928 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.813 1.192 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.739 1.492 -0.481 1.00 0.00 H new ATOM 731 N PHE A 47 11.325 -1.581 3.025 1.00 0.00 N ATOM 732 CA PHE A 47 11.113 -1.484 4.467 1.00 0.00 C ATOM 733 C PHE A 47 12.397 -1.054 5.159 1.00 0.00 C ATOM 734 O PHE A 47 12.373 -0.388 6.187 1.00 0.00 O ATOM 735 CB PHE A 47 10.640 -2.823 5.044 1.00 0.00 C ATOM 736 CG PHE A 47 9.204 -3.162 4.744 1.00 0.00 C ATOM 737 CD1 PHE A 47 8.764 -3.319 3.441 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.298 -3.329 5.777 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.446 -3.637 3.173 1.00 0.00 C ATOM 740 CE2 PHE A 47 6.980 -3.649 5.517 1.00 0.00 C ATOM 741 CZ PHE A 47 6.553 -3.803 4.212 1.00 0.00 C ATOM 0 H PHE A 47 11.295 -2.531 2.655 1.00 0.00 H new ATOM 0 HA PHE A 47 10.339 -0.737 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.276 -3.617 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.778 -2.807 6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.459 -3.191 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.626 -3.208 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.115 -3.755 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.284 -3.779 6.333 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.523 -4.053 4.006 1.00 0.00 H new ATOM 751 N LYS A 48 13.517 -1.413 4.555 1.00 0.00 N ATOM 752 CA LYS A 48 14.823 -1.175 5.141 1.00 0.00 C ATOM 753 C LYS A 48 15.155 0.311 5.136 1.00 0.00 C ATOM 754 O LYS A 48 15.929 0.791 5.964 1.00 0.00 O ATOM 755 CB LYS A 48 15.876 -1.949 4.355 1.00 0.00 C ATOM 756 CG LYS A 48 17.269 -1.875 4.949 1.00 0.00 C ATOM 757 CD LYS A 48 18.304 -2.437 3.989 1.00 0.00 C ATOM 758 CE LYS A 48 19.714 -2.311 4.541 1.00 0.00 C ATOM 759 NZ LYS A 48 19.951 -3.232 5.679 1.00 0.00 N ATOM 0 H LYS A 48 13.546 -1.876 3.647 1.00 0.00 H new ATOM 0 HA LYS A 48 14.813 -1.517 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.573 -2.994 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.907 -1.566 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.512 -0.839 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.298 -2.431 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.084 -3.486 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.239 -1.912 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.433 -2.521 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.886 -1.284 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.939 -3.150 5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.317 -2.983 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.763 -4.210 5.379 1.00 0.00 H new ATOM 773 N ASP A 49 14.560 1.036 4.207 1.00 0.00 N ATOM 774 CA ASP A 49 14.844 2.451 4.064 1.00 0.00 C ATOM 775 C ASP A 49 13.899 3.275 4.932 1.00 0.00 C ATOM 776 O ASP A 49 12.709 3.395 4.638 1.00 0.00 O ATOM 777 CB ASP A 49 14.732 2.888 2.604 1.00 0.00 C ATOM 778 CG ASP A 49 15.411 4.217 2.362 1.00 0.00 C ATOM 779 OD1 ASP A 49 15.014 5.222 2.990 1.00 0.00 O ATOM 780 OD2 ASP A 49 16.360 4.265 1.550 1.00 0.00 O ATOM 0 H ASP A 49 13.879 0.669 3.542 1.00 0.00 H new ATOM 0 HA ASP A 49 15.868 2.623 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.179 2.129 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.681 2.961 2.326 1.00 0.00 H new ATOM 785 N SER A 50 14.439 3.836 6.007 1.00 0.00 N ATOM 786 CA SER A 50 13.645 4.614 6.950 1.00 0.00 C ATOM 787 C SER A 50 13.183 5.932 6.332 1.00 0.00 C ATOM 788 O SER A 50 12.107 6.434 6.660 1.00 0.00 O ATOM 789 CB SER A 50 14.454 4.879 8.221 1.00 0.00 C ATOM 790 OG SER A 50 14.856 3.661 8.827 1.00 0.00 O ATOM 0 H SER A 50 15.428 3.766 6.248 1.00 0.00 H new ATOM 0 HA SER A 50 12.757 4.035 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.333 5.477 7.980 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.856 5.460 8.923 1.00 0.00 H new ATOM 0 HG SER A 50 15.373 3.854 9.637 1.00 0.00 H new ATOM 796 N LEU A 51 13.988 6.477 5.426 1.00 0.00 N ATOM 797 CA LEU A 51 13.651 7.729 4.763 1.00 0.00 C ATOM 798 C LEU A 51 12.419 7.549 3.888 1.00 0.00 C ATOM 799 O LEU A 51 11.513 8.379 3.899 1.00 0.00 O ATOM 800 CB LEU A 51 14.826 8.240 3.914 1.00 0.00 C ATOM 801 CG LEU A 51 15.930 8.996 4.668 1.00 0.00 C ATOM 802 CD1 LEU A 51 15.354 10.203 5.392 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.651 8.083 5.644 1.00 0.00 C ATOM 0 H LEU A 51 14.877 6.071 5.135 1.00 0.00 H new ATOM 0 HA LEU A 51 13.437 8.469 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.279 7.388 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.429 8.896 3.140 1.00 0.00 H new ATOM 0 HG LEU A 51 16.657 9.346 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.152 10.725 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.896 10.877 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.601 9.873 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.427 8.646 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.939 7.692 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 51 17.106 7.255 5.100 1.00 0.00 H new ATOM 815 N VAL A 52 12.390 6.456 3.136 1.00 0.00 N ATOM 816 CA VAL A 52 11.242 6.140 2.296 1.00 0.00 C ATOM 817 C VAL A 52 10.029 5.779 3.157 1.00 0.00 C ATOM 818 O VAL A 52 8.899 6.161 2.845 1.00 0.00 O ATOM 819 CB VAL A 52 11.555 4.988 1.315 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.341 4.648 0.467 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.734 5.355 0.427 1.00 0.00 C ATOM 0 H VAL A 52 13.147 5.774 3.091 1.00 0.00 H new ATOM 0 HA VAL A 52 11.012 7.029 1.710 1.00 0.00 H new ATOM 0 HB VAL A 52 11.816 4.107 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.589 3.834 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.519 4.341 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.042 5.524 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.943 4.534 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.494 6.252 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.611 5.542 1.046 1.00 0.00 H new ATOM 831 N ALA A 53 10.276 5.060 4.249 1.00 0.00 N ATOM 832 CA ALA A 53 9.219 4.688 5.188 1.00 0.00 C ATOM 833 C ALA A 53 8.505 5.924 5.729 1.00 0.00 C ATOM 834 O ALA A 53 7.271 6.010 5.703 1.00 0.00 O ATOM 835 CB ALA A 53 9.796 3.875 6.336 1.00 0.00 C ATOM 0 H ALA A 53 11.203 4.722 4.507 1.00 0.00 H new ATOM 0 HA ALA A 53 8.490 4.080 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.998 3.605 7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.259 2.969 5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.546 4.467 6.861 1.00 0.00 H new ATOM 841 N ASP A 54 9.291 6.878 6.215 1.00 0.00 N ATOM 842 CA ASP A 54 8.754 8.126 6.748 1.00 0.00 C ATOM 843 C ASP A 54 8.112 8.963 5.651 1.00 0.00 C ATOM 844 O ASP A 54 7.114 9.643 5.884 1.00 0.00 O ATOM 845 CB ASP A 54 9.852 8.930 7.447 1.00 0.00 C ATOM 846 CG ASP A 54 10.009 8.553 8.906 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.089 7.346 9.214 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.027 9.469 9.757 1.00 0.00 O ATOM 0 H ASP A 54 10.308 6.811 6.251 1.00 0.00 H new ATOM 0 HA ASP A 54 7.985 7.871 7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.799 8.771 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.623 9.993 7.373 1.00 0.00 H new ATOM 853 N TYR A 55 8.686 8.902 4.454 1.00 0.00 N ATOM 854 CA TYR A 55 8.160 9.642 3.315 1.00 0.00 C ATOM 855 C TYR A 55 6.727 9.214 3.021 1.00 0.00 C ATOM 856 O TYR A 55 5.832 10.054 2.861 1.00 0.00 O ATOM 857 CB TYR A 55 9.043 9.416 2.085 1.00 0.00 C ATOM 858 CG TYR A 55 8.694 10.301 0.911 1.00 0.00 C ATOM 859 CD1 TYR A 55 9.128 11.619 0.866 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.929 9.824 -0.147 1.00 0.00 C ATOM 861 CE1 TYR A 55 8.815 12.436 -0.201 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.611 10.637 -1.219 1.00 0.00 C ATOM 863 CZ TYR A 55 8.056 11.941 -1.239 1.00 0.00 C ATOM 864 OH TYR A 55 7.739 12.755 -2.301 1.00 0.00 O ATOM 0 H TYR A 55 9.517 8.347 4.248 1.00 0.00 H new ATOM 0 HA TYR A 55 8.163 10.705 3.558 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.084 9.588 2.360 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.962 8.373 1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.720 12.011 1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.578 8.803 -0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.163 13.458 -0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.018 10.253 -2.035 1.00 0.00 H new ATOM 0 HH TYR A 55 7.200 12.254 -2.948 1.00 0.00 H new ATOM 874 N PHE A 56 6.513 7.904 2.962 1.00 0.00 N ATOM 875 CA PHE A 56 5.188 7.358 2.742 1.00 0.00 C ATOM 876 C PHE A 56 4.245 7.769 3.864 1.00 0.00 C ATOM 877 O PHE A 56 3.211 8.384 3.615 1.00 0.00 O ATOM 878 CB PHE A 56 5.244 5.830 2.645 1.00 0.00 C ATOM 879 CG PHE A 56 5.843 5.312 1.370 1.00 0.00 C ATOM 880 CD1 PHE A 56 5.821 6.073 0.213 1.00 0.00 C ATOM 881 CD2 PHE A 56 6.419 4.053 1.327 1.00 0.00 C ATOM 882 CE1 PHE A 56 6.361 5.591 -0.962 1.00 0.00 C ATOM 883 CE2 PHE A 56 6.960 3.562 0.154 1.00 0.00 C ATOM 884 CZ PHE A 56 6.931 4.333 -0.994 1.00 0.00 C ATOM 0 H PHE A 56 7.246 7.202 3.064 1.00 0.00 H new ATOM 0 HA PHE A 56 4.811 7.758 1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.821 5.445 3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.233 5.434 2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.375 7.057 0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.446 3.448 2.221 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.338 6.197 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.405 2.578 0.134 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.353 3.953 -1.913 1.00 0.00 H new ATOM 894 N ASN A 57 4.634 7.462 5.099 1.00 0.00 N ATOM 895 CA ASN A 57 3.785 7.693 6.267 1.00 0.00 C ATOM 896 C ASN A 57 3.440 9.168 6.461 1.00 0.00 C ATOM 897 O ASN A 57 2.378 9.496 6.993 1.00 0.00 O ATOM 898 CB ASN A 57 4.450 7.144 7.530 1.00 0.00 C ATOM 899 CG ASN A 57 4.219 5.658 7.715 1.00 0.00 C ATOM 900 OD1 ASN A 57 3.237 5.243 8.337 1.00 0.00 O ATOM 901 ND2 ASN A 57 5.117 4.845 7.185 1.00 0.00 N ATOM 0 H ASN A 57 5.540 7.049 5.319 1.00 0.00 H new ATOM 0 HA ASN A 57 2.851 7.162 6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.522 7.338 7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.066 7.678 8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.012 3.835 7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.915 5.228 6.678 1.00 0.00 H new ATOM 908 N ARG A 58 4.337 10.058 6.053 1.00 0.00 N ATOM 909 CA ARG A 58 4.076 11.488 6.158 1.00 0.00 C ATOM 910 C ARG A 58 2.973 11.912 5.198 1.00 0.00 C ATOM 911 O ARG A 58 2.051 12.634 5.578 1.00 0.00 O ATOM 912 CB ARG A 58 5.337 12.306 5.865 1.00 0.00 C ATOM 913 CG ARG A 58 5.081 13.805 5.853 1.00 0.00 C ATOM 914 CD ARG A 58 6.267 14.585 5.314 1.00 0.00 C ATOM 915 NE ARG A 58 7.427 14.527 6.200 1.00 0.00 N ATOM 916 CZ ARG A 58 8.330 15.501 6.297 1.00 0.00 C ATOM 917 NH1 ARG A 58 8.199 16.605 5.568 1.00 0.00 N ATOM 918 NH2 ARG A 58 9.358 15.377 7.124 1.00 0.00 N ATOM 0 H ARG A 58 5.243 9.818 5.650 1.00 0.00 H new ATOM 0 HA ARG A 58 3.757 11.681 7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.094 12.078 6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.743 12.004 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.202 14.017 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.857 14.142 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.542 14.191 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.977 15.626 5.169 1.00 0.00 H new ATOM 0 HE ARG A 58 7.552 13.695 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.406 16.706 4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.891 17.351 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.459 14.534 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.048 16.125 7.196 1.00 0.00 H new ATOM 932 N HIS A 59 3.071 11.459 3.954 1.00 0.00 N ATOM 933 CA HIS A 59 2.154 11.908 2.914 1.00 0.00 C ATOM 934 C HIS A 59 0.834 11.150 2.951 1.00 0.00 C ATOM 935 O HIS A 59 -0.210 11.703 2.605 1.00 0.00 O ATOM 936 CB HIS A 59 2.794 11.785 1.530 1.00 0.00 C ATOM 937 CG HIS A 59 3.837 12.828 1.254 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.550 14.040 0.665 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.171 12.840 1.494 1.00 0.00 C ATOM 940 CE1 HIS A 59 4.655 14.748 0.553 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.655 14.045 1.048 1.00 0.00 N ATOM 0 H HIS A 59 3.771 10.786 3.642 1.00 0.00 H new ATOM 0 HA HIS A 59 1.940 12.958 3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.246 10.798 1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.014 11.853 0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.746 12.049 1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.730 15.738 0.127 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.628 14.347 1.092 1.00 0.00 H new ATOM 950 N PHE A 60 0.874 9.892 3.365 1.00 0.00 N ATOM 951 CA PHE A 60 -0.333 9.083 3.432 1.00 0.00 C ATOM 952 C PHE A 60 -0.201 7.953 4.446 1.00 0.00 C ATOM 953 O PHE A 60 0.901 7.537 4.796 1.00 0.00 O ATOM 954 CB PHE A 60 -0.703 8.536 2.048 1.00 0.00 C ATOM 955 CG PHE A 60 0.447 8.008 1.237 1.00 0.00 C ATOM 956 CD1 PHE A 60 0.974 6.752 1.479 1.00 0.00 C ATOM 957 CD2 PHE A 60 0.984 8.771 0.213 1.00 0.00 C ATOM 958 CE1 PHE A 60 2.017 6.268 0.716 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.029 8.295 -0.550 1.00 0.00 C ATOM 960 CZ PHE A 60 2.545 7.042 -0.299 1.00 0.00 C ATOM 0 H PHE A 60 1.725 9.412 3.658 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.141 9.732 3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.434 7.737 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.192 9.328 1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.565 6.144 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.579 9.751 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.420 5.285 0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.442 8.902 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.362 6.665 -0.896 1.00 0.00 H new ATOM 970 N VAL A 61 -1.338 7.458 4.911 1.00 0.00 N ATOM 971 CA VAL A 61 -1.352 6.419 5.929 1.00 0.00 C ATOM 972 C VAL A 61 -1.110 5.049 5.309 1.00 0.00 C ATOM 973 O VAL A 61 -1.687 4.706 4.277 1.00 0.00 O ATOM 974 CB VAL A 61 -2.674 6.414 6.730 1.00 0.00 C ATOM 975 CG1 VAL A 61 -2.778 7.664 7.590 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.880 6.307 5.808 1.00 0.00 C ATOM 0 H VAL A 61 -2.262 7.759 4.600 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.542 6.641 6.623 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.668 5.538 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.714 7.645 8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.941 7.696 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.753 8.548 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.794 6.306 6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.892 7.156 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.819 5.382 5.235 1.00 0.00 H new ATOM 986 N ASN A 62 -0.227 4.283 5.933 1.00 0.00 N ATOM 987 CA ASN A 62 0.121 2.957 5.437 1.00 0.00 C ATOM 988 C ASN A 62 -0.752 1.895 6.089 1.00 0.00 C ATOM 989 O ASN A 62 -0.586 1.576 7.267 1.00 0.00 O ATOM 990 CB ASN A 62 1.602 2.652 5.699 1.00 0.00 C ATOM 991 CG ASN A 62 2.546 3.402 4.770 1.00 0.00 C ATOM 992 OD1 ASN A 62 3.627 2.917 4.447 1.00 0.00 O ATOM 993 ND2 ASN A 62 2.154 4.592 4.341 1.00 0.00 N ATOM 0 H ASN A 62 0.263 4.556 6.785 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.054 2.942 4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.841 2.907 6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.770 1.581 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.757 5.135 3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.249 4.965 4.629 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.682 1.363 5.315 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.616 0.355 5.792 1.00 0.00 C ATOM 1002 C LEU A 63 -2.305 -0.992 5.152 1.00 0.00 C ATOM 1003 O LEU A 63 -2.186 -1.090 3.937 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.048 0.774 5.445 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.141 -0.239 5.798 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.301 -0.352 7.304 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.459 0.150 5.148 1.00 0.00 C ATOM 0 H LEU A 63 -1.812 1.618 4.336 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.518 0.264 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.267 1.711 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.098 0.977 4.375 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.842 -1.214 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.082 -1.077 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.360 -0.680 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.575 0.620 7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.224 -0.581 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.763 1.135 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.337 0.175 4.065 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.169 -2.025 5.966 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.923 -3.363 5.442 1.00 0.00 C ATOM 1021 C LYS A 64 -3.118 -4.263 5.716 1.00 0.00 C ATOM 1022 O LYS A 64 -3.571 -4.379 6.856 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.659 -3.979 6.053 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.325 -5.350 5.477 1.00 0.00 C ATOM 1025 CD LYS A 64 0.904 -5.963 6.133 1.00 0.00 C ATOM 1026 CE LYS A 64 0.667 -6.246 7.611 1.00 0.00 C ATOM 1027 NZ LYS A 64 -0.439 -7.220 7.834 1.00 0.00 N ATOM 0 H LYS A 64 -2.224 -1.967 6.983 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.774 -3.276 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.183 -3.307 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.789 -4.066 7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.177 -6.016 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.156 -5.260 4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.166 -6.889 5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.752 -5.287 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.584 -6.634 8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.434 -5.313 8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.539 -7.405 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.328 -6.826 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.223 -8.109 7.340 1.00 0.00 H new ATOM 1041 N MET A 65 -3.628 -4.898 4.672 1.00 0.00 N ATOM 1042 CA MET A 65 -4.755 -5.809 4.808 1.00 0.00 C ATOM 1043 C MET A 65 -4.508 -7.063 3.979 1.00 0.00 C ATOM 1044 O MET A 65 -4.456 -7.007 2.750 1.00 0.00 O ATOM 1045 CB MET A 65 -6.063 -5.133 4.384 1.00 0.00 C ATOM 1046 CG MET A 65 -6.392 -3.881 5.191 1.00 0.00 C ATOM 1047 SD MET A 65 -8.015 -3.194 4.807 1.00 0.00 S ATOM 1048 CE MET A 65 -9.081 -4.524 5.360 1.00 0.00 C ATOM 0 H MET A 65 -3.279 -4.799 3.719 1.00 0.00 H new ATOM 0 HA MET A 65 -4.850 -6.089 5.857 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.000 -4.869 3.328 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.881 -5.846 4.486 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.348 -4.120 6.254 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.630 -3.124 5.002 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.621 -4.936 4.507 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.478 -5.307 5.820 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.794 -4.140 6.089 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.353 -8.189 4.664 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.001 -9.453 4.016 1.00 0.00 C ATOM 1060 C ASP A 66 -5.125 -9.946 3.120 1.00 0.00 C ATOM 1061 O ASP A 66 -6.296 -9.624 3.329 1.00 0.00 O ATOM 1062 CB ASP A 66 -3.725 -10.534 5.059 1.00 0.00 C ATOM 1063 CG ASP A 66 -2.750 -11.589 4.581 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -3.090 -12.338 3.642 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -1.651 -11.692 5.165 1.00 0.00 O ATOM 0 H ASP A 66 -4.466 -8.256 5.676 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.109 -9.265 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.331 -10.067 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.665 -11.014 5.333 1.00 0.00 H new ATOM 1070 N MET A 67 -4.761 -10.751 2.142 1.00 0.00 N ATOM 1071 CA MET A 67 -5.722 -11.376 1.253 1.00 0.00 C ATOM 1072 C MET A 67 -6.371 -12.576 1.935 1.00 0.00 C ATOM 1073 O MET A 67 -7.347 -13.138 1.435 1.00 0.00 O ATOM 1074 CB MET A 67 -5.025 -11.812 -0.026 1.00 0.00 C ATOM 1075 CG MET A 67 -4.652 -10.653 -0.937 1.00 0.00 C ATOM 1076 SD MET A 67 -3.911 -11.188 -2.492 1.00 0.00 S ATOM 1077 CE MET A 67 -3.658 -9.605 -3.292 1.00 0.00 C ATOM 0 H MET A 67 -3.790 -10.991 1.940 1.00 0.00 H new ATOM 0 HA MET A 67 -6.502 -10.655 1.008 1.00 0.00 H new ATOM 0 HB2 MET A 67 -4.123 -12.366 0.232 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.675 -12.497 -0.570 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.544 -10.064 -1.150 1.00 0.00 H new ATOM 0 HG3 MET A 67 -3.954 -9.998 -0.415 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.672 -9.738 -4.374 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.453 -8.919 -3.000 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.695 -9.194 -2.989 1.00 0.00 H new ATOM 1087 N GLU A 68 -5.821 -12.960 3.082 1.00 0.00 N ATOM 1088 CA GLU A 68 -6.394 -14.021 3.900 1.00 0.00 C ATOM 1089 C GLU A 68 -6.904 -13.434 5.209 1.00 0.00 C ATOM 1090 O GLU A 68 -7.075 -14.132 6.210 1.00 0.00 O ATOM 1091 CB GLU A 68 -5.360 -15.119 4.158 1.00 0.00 C ATOM 1092 CG GLU A 68 -4.926 -15.825 2.890 1.00 0.00 C ATOM 1093 CD GLU A 68 -4.050 -17.030 3.149 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -4.567 -18.056 3.639 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -2.842 -16.966 2.844 1.00 0.00 O ATOM 0 H GLU A 68 -4.972 -12.548 3.468 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.231 -14.473 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.487 -14.683 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.778 -15.850 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.810 -16.139 2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.386 -15.121 2.256 1.00 0.00 H new ATOM 1102 N LYS A 69 -7.151 -12.133 5.172 1.00 0.00 N ATOM 1103 CA LYS A 69 -7.752 -11.416 6.286 1.00 0.00 C ATOM 1104 C LYS A 69 -9.266 -11.374 6.082 1.00 0.00 C ATOM 1105 O LYS A 69 -9.741 -11.546 4.955 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.161 -9.998 6.354 1.00 0.00 C ATOM 1107 CG LYS A 69 -7.520 -9.202 7.598 1.00 0.00 C ATOM 1108 CD LYS A 69 -6.892 -7.816 7.555 1.00 0.00 C ATOM 1109 CE LYS A 69 -7.274 -6.976 8.765 1.00 0.00 C ATOM 1110 NZ LYS A 69 -6.722 -7.520 10.036 1.00 0.00 N ATOM 0 H LYS A 69 -6.940 -11.544 4.367 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.539 -11.920 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.075 -10.072 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.494 -9.441 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.603 -9.113 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.178 -9.733 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.807 -7.911 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.206 -7.304 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.914 -5.957 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.360 -6.923 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.954 -6.876 10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.137 -8.455 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.689 -7.610 9.956 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.015 -11.158 7.160 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.469 -11.166 7.085 1.00 0.00 C ATOM 1126 C GLY A 70 -12.020 -10.197 6.054 1.00 0.00 C ATOM 1127 O GLY A 70 -12.746 -10.599 5.143 1.00 0.00 O ATOM 0 H GLY A 70 -9.639 -10.976 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.808 -12.174 6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.878 -10.916 8.064 1.00 0.00 H new ATOM 1131 N GLU A 71 -11.661 -8.926 6.189 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.114 -7.893 5.255 1.00 0.00 C ATOM 1133 C GLU A 71 -11.346 -7.980 3.939 1.00 0.00 C ATOM 1134 O GLU A 71 -11.724 -7.364 2.941 1.00 0.00 O ATOM 1135 CB GLU A 71 -11.917 -6.509 5.865 1.00 0.00 C ATOM 1136 CG GLU A 71 -12.490 -6.367 7.264 1.00 0.00 C ATOM 1137 CD GLU A 71 -12.127 -5.047 7.909 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -12.875 -4.067 7.724 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -11.096 -4.987 8.606 1.00 0.00 O ATOM 0 H GLU A 71 -11.057 -8.582 6.936 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.173 -8.056 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.851 -6.284 5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.381 -5.767 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.575 -6.459 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.126 -7.184 7.887 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.271 -8.758 3.954 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.420 -8.904 2.789 1.00 0.00 C ATOM 1148 C GLY A 72 -10.154 -9.485 1.602 1.00 0.00 C ATOM 1149 O GLY A 72 -9.834 -9.171 0.456 1.00 0.00 O ATOM 0 H GLY A 72 -9.970 -9.298 4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.011 -7.931 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.575 -9.546 3.039 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.142 -10.332 1.878 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.897 -11.007 0.829 1.00 0.00 C ATOM 1155 C VAL A 73 -12.513 -10.012 -0.158 1.00 0.00 C ATOM 1156 O VAL A 73 -12.519 -10.254 -1.367 1.00 0.00 O ATOM 1157 CB VAL A 73 -13.008 -11.913 1.411 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -12.404 -13.013 2.266 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -14.016 -11.107 2.221 1.00 0.00 C ATOM 0 H VAL A 73 -11.439 -10.567 2.825 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.182 -11.632 0.294 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.537 -12.368 0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.200 -13.641 2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.735 -13.621 1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.843 -12.568 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.783 -11.774 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.506 -10.612 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.481 -10.358 1.581 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.999 -8.878 0.345 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.636 -7.899 -0.520 1.00 0.00 C ATOM 1171 C GLU A 74 -12.594 -7.179 -1.359 1.00 0.00 C ATOM 1172 O GLU A 74 -12.765 -7.021 -2.563 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.460 -6.887 0.281 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.198 -5.890 -0.602 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.213 -5.061 0.156 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.224 -5.630 0.612 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.022 -3.831 0.274 1.00 0.00 O ATOM 0 H GLU A 74 -12.963 -8.621 1.331 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.318 -8.436 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.182 -7.422 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.801 -6.345 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.474 -5.225 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.704 -6.429 -1.403 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.504 -6.770 -0.725 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.440 -6.053 -1.419 1.00 0.00 C ATOM 1186 C LEU A 75 -9.820 -6.932 -2.498 1.00 0.00 C ATOM 1187 O LEU A 75 -9.544 -6.478 -3.610 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.359 -5.612 -0.432 1.00 0.00 C ATOM 1189 CG LEU A 75 -9.861 -4.831 0.788 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -8.690 -4.382 1.642 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -10.702 -3.637 0.365 1.00 0.00 C ATOM 0 H LEU A 75 -11.332 -6.922 0.269 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.875 -5.170 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.828 -6.497 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.635 -4.995 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.493 -5.493 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.060 -3.829 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.132 -5.254 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.035 -3.740 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.045 -3.101 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.101 -2.970 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.564 -3.983 -0.206 1.00 0.00 H new ATOM 1203 N ARG A 76 -9.624 -8.195 -2.156 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.061 -9.183 -3.065 1.00 0.00 C ATOM 1205 C ARG A 76 -9.888 -9.293 -4.344 1.00 0.00 C ATOM 1206 O ARG A 76 -9.354 -9.284 -5.455 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.011 -10.536 -2.355 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.415 -11.654 -3.191 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.336 -12.958 -2.415 1.00 0.00 C ATOM 1210 NE ARG A 76 -9.654 -13.458 -2.030 1.00 0.00 N ATOM 1211 CZ ARG A 76 -9.861 -14.655 -1.477 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -8.850 -15.494 -1.299 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -11.084 -15.021 -1.126 1.00 0.00 N ATOM 0 H ARG A 76 -9.852 -8.567 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.056 -8.870 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.429 -10.432 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.022 -10.817 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.019 -11.800 -4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.417 -11.367 -3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.829 -13.708 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.731 -12.809 -1.520 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.462 -12.858 -2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.908 -15.226 -1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.014 -16.408 -0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.869 -14.388 -1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.241 -15.936 -0.703 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.194 -9.387 -4.168 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.122 -9.541 -5.276 1.00 0.00 C ATOM 1229 C LYS A 77 -12.282 -8.228 -6.034 1.00 0.00 C ATOM 1230 O LYS A 77 -12.412 -8.207 -7.255 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.474 -9.999 -4.719 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.591 -10.075 -5.747 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.943 -10.212 -5.066 1.00 0.00 C ATOM 1234 CE LYS A 77 -16.250 -8.993 -4.209 1.00 0.00 C ATOM 1235 NZ LYS A 77 -17.479 -9.173 -3.394 1.00 0.00 N ATOM 0 H LYS A 77 -11.642 -9.359 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.735 -10.283 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.350 -10.982 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.775 -9.315 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.581 -9.180 -6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.425 -10.925 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.722 -10.337 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.952 -11.108 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.405 -8.793 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.367 -8.120 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.648 -8.318 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.291 -9.338 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.359 -9.990 -2.761 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.235 -7.137 -5.291 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.568 -5.821 -5.818 1.00 0.00 C ATOM 1251 C LYS A 78 -11.411 -5.197 -6.595 1.00 0.00 C ATOM 1252 O LYS A 78 -11.595 -4.706 -7.708 1.00 0.00 O ATOM 1253 CB LYS A 78 -12.979 -4.912 -4.658 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.533 -3.556 -5.065 1.00 0.00 C ATOM 1255 CD LYS A 78 -14.150 -2.853 -3.865 1.00 0.00 C ATOM 1256 CE LYS A 78 -14.791 -1.528 -4.237 1.00 0.00 C ATOM 1257 NZ LYS A 78 -15.602 -0.987 -3.114 1.00 0.00 N ATOM 0 H LYS A 78 -11.966 -7.135 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.393 -5.935 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.730 -5.429 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.113 -4.755 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.736 -2.942 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.283 -3.682 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.900 -3.502 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.381 -2.683 -3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.017 -0.810 -4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.424 -1.661 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.027 -0.081 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.355 -1.663 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.992 -0.838 -2.285 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.222 -5.219 -6.011 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.089 -4.488 -6.570 1.00 0.00 C ATOM 1273 C TYR A 79 -8.256 -5.347 -7.513 1.00 0.00 C ATOM 1274 O TYR A 79 -7.371 -4.834 -8.201 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.224 -3.925 -5.442 1.00 0.00 C ATOM 1276 CG TYR A 79 -8.939 -2.879 -4.618 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.720 -3.239 -3.527 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -8.838 -1.531 -4.934 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.382 -2.286 -2.779 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.495 -0.575 -4.187 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.263 -0.957 -3.112 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.921 -0.005 -2.372 1.00 0.00 O ATOM 0 H TYR A 79 -10.015 -5.732 -5.154 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.487 -3.665 -7.163 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.909 -4.740 -4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.320 -3.490 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.811 -4.281 -3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.236 -1.226 -5.777 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.990 -2.583 -1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.406 0.470 -4.446 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.731 0.884 -2.739 1.00 0.00 H new ATOM 1292 N GLY A 80 -8.533 -6.644 -7.550 1.00 0.00 N ATOM 1293 CA GLY A 80 -7.873 -7.507 -8.514 1.00 0.00 C ATOM 1294 C GLY A 80 -6.725 -8.298 -7.923 1.00 0.00 C ATOM 1295 O GLY A 80 -5.564 -7.893 -8.016 1.00 0.00 O ATOM 0 H GLY A 80 -9.198 -7.113 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.604 -8.199 -8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.500 -6.900 -9.339 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.051 -9.428 -7.316 1.00 0.00 N ATOM 1300 CA VAL A 81 -6.042 -10.347 -6.808 1.00 0.00 C ATOM 1301 C VAL A 81 -5.219 -10.929 -7.953 1.00 0.00 C ATOM 1302 O VAL A 81 -5.739 -11.212 -9.033 1.00 0.00 O ATOM 1303 CB VAL A 81 -6.687 -11.496 -5.993 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -7.673 -12.283 -6.846 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -5.625 -12.418 -5.409 1.00 0.00 C ATOM 0 H VAL A 81 -8.012 -9.733 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.386 -9.780 -6.148 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.236 -11.048 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.112 -13.083 -6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.462 -11.618 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.152 -12.712 -7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.107 -13.215 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.036 -12.852 -6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.971 -11.848 -4.749 1.00 0.00 H new ATOM 1315 N HIS A 82 -3.925 -11.075 -7.719 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.032 -11.662 -8.703 1.00 0.00 C ATOM 1317 C HIS A 82 -2.071 -12.628 -8.019 1.00 0.00 C ATOM 1318 O HIS A 82 -2.394 -13.801 -7.827 1.00 0.00 O ATOM 1319 CB HIS A 82 -2.257 -10.573 -9.459 1.00 0.00 C ATOM 1320 CG HIS A 82 -3.092 -9.782 -10.426 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -3.736 -8.607 -10.092 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -3.374 -10.001 -11.732 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -4.372 -8.138 -11.151 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -4.167 -8.966 -12.157 1.00 0.00 N ATOM 0 H HIS A 82 -3.468 -10.793 -6.851 1.00 0.00 H new ATOM 0 HA HIS A 82 -3.629 -12.212 -9.430 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.814 -9.889 -8.735 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -1.435 -11.039 -10.002 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -3.723 -8.169 -9.171 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -3.037 -10.836 -12.328 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.959 -7.232 -11.187 1.00 0.00 H new ATOM 1333 N ALA A 83 -0.915 -12.110 -7.619 1.00 0.00 N ATOM 1334 CA ALA A 83 0.117 -12.902 -6.944 1.00 0.00 C ATOM 1335 C ALA A 83 1.260 -11.994 -6.500 1.00 0.00 C ATOM 1336 O ALA A 83 2.382 -12.438 -6.258 1.00 0.00 O ATOM 1337 CB ALA A 83 0.647 -13.994 -7.867 1.00 0.00 C ATOM 0 H ALA A 83 -0.663 -11.130 -7.751 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.327 -13.376 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.412 -14.570 -7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.171 -14.654 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.079 -13.539 -8.758 1.00 0.00 H new ATOM 1343 N TYR A 84 0.944 -10.721 -6.361 1.00 0.00 N ATOM 1344 CA TYR A 84 1.944 -9.689 -6.146 1.00 0.00 C ATOM 1345 C TYR A 84 1.568 -8.839 -4.944 1.00 0.00 C ATOM 1346 O TYR A 84 0.567 -9.116 -4.273 1.00 0.00 O ATOM 1347 CB TYR A 84 2.037 -8.797 -7.392 1.00 0.00 C ATOM 1348 CG TYR A 84 2.888 -9.358 -8.514 1.00 0.00 C ATOM 1349 CD1 TYR A 84 2.572 -10.564 -9.129 1.00 0.00 C ATOM 1350 CD2 TYR A 84 4.012 -8.673 -8.958 1.00 0.00 C ATOM 1351 CE1 TYR A 84 3.356 -11.071 -10.148 1.00 0.00 C ATOM 1352 CE2 TYR A 84 4.796 -9.173 -9.978 1.00 0.00 C ATOM 1353 CZ TYR A 84 4.467 -10.373 -10.570 1.00 0.00 C ATOM 1354 OH TYR A 84 5.249 -10.876 -11.583 1.00 0.00 O ATOM 0 H TYR A 84 -0.014 -10.371 -6.394 1.00 0.00 H new ATOM 0 HA TYR A 84 2.908 -10.163 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.030 -8.621 -7.772 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.441 -7.828 -7.098 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.700 -11.113 -8.805 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.277 -7.733 -8.497 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.099 -12.012 -10.612 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.665 -8.625 -10.311 1.00 0.00 H new ATOM 0 HH TYR A 84 5.991 -10.261 -11.759 1.00 0.00 H new ATOM 1364 N PRO A 85 2.389 -7.828 -4.617 1.00 0.00 N ATOM 1365 CA PRO A 85 1.978 -6.781 -3.704 1.00 0.00 C ATOM 1366 C PRO A 85 1.098 -5.758 -4.413 1.00 0.00 C ATOM 1367 O PRO A 85 1.529 -5.095 -5.360 1.00 0.00 O ATOM 1368 CB PRO A 85 3.296 -6.163 -3.240 1.00 0.00 C ATOM 1369 CG PRO A 85 4.258 -6.416 -4.349 1.00 0.00 C ATOM 1370 CD PRO A 85 3.789 -7.658 -5.062 1.00 0.00 C ATOM 0 HA PRO A 85 1.380 -7.152 -2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.185 -5.095 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.638 -6.618 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.291 -5.568 -5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.267 -6.552 -3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.851 -7.543 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.398 -8.522 -4.798 1.00 0.00 H new ATOM 1378 N THR A 86 -0.145 -5.665 -3.980 1.00 0.00 N ATOM 1379 CA THR A 86 -1.095 -4.758 -4.588 1.00 0.00 C ATOM 1380 C THR A 86 -1.134 -3.453 -3.810 1.00 0.00 C ATOM 1381 O THR A 86 -1.678 -3.397 -2.704 1.00 0.00 O ATOM 1382 CB THR A 86 -2.500 -5.385 -4.625 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.398 -6.762 -5.017 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.400 -4.646 -5.601 1.00 0.00 C ATOM 0 H THR A 86 -0.520 -6.211 -3.204 1.00 0.00 H new ATOM 0 HA THR A 86 -0.777 -4.560 -5.612 1.00 0.00 H new ATOM 0 HB THR A 86 -2.937 -5.312 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.094 -7.298 -4.255 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.387 -5.109 -5.608 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.490 -3.604 -5.295 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.969 -4.694 -6.601 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.539 -2.419 -4.380 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.465 -1.127 -3.724 1.00 0.00 C ATOM 1394 C LEU A 87 -1.623 -0.250 -4.175 1.00 0.00 C ATOM 1395 O LEU A 87 -1.743 0.103 -5.352 1.00 0.00 O ATOM 1396 CB LEU A 87 0.877 -0.457 -4.018 1.00 0.00 C ATOM 1397 CG LEU A 87 2.113 -1.311 -3.703 1.00 0.00 C ATOM 1398 CD1 LEU A 87 3.384 -0.508 -3.918 1.00 0.00 C ATOM 1399 CD2 LEU A 87 2.057 -1.847 -2.280 1.00 0.00 C ATOM 0 H LEU A 87 -0.099 -2.451 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.540 -1.270 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.904 -0.180 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.937 0.468 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 87 2.119 -2.161 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.250 -1.129 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.436 -0.180 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.380 0.363 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.944 -2.449 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.020 -1.014 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.166 -2.463 -2.158 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.482 0.081 -3.234 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.719 0.780 -3.539 1.00 0.00 C ATOM 1413 C LEU A 88 -3.702 2.201 -2.995 1.00 0.00 C ATOM 1414 O LEU A 88 -3.498 2.418 -1.802 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.902 0.012 -2.948 1.00 0.00 C ATOM 1416 CG LEU A 88 -4.998 -1.449 -3.380 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.109 -2.156 -2.619 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -5.224 -1.542 -4.883 1.00 0.00 C ATOM 0 H LEU A 88 -2.347 -0.123 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.820 0.836 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.835 0.051 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.824 0.521 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.057 -1.946 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.164 -3.197 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.901 -2.116 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.060 -1.663 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.290 -2.590 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.152 -1.032 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.392 -1.071 -5.406 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.911 3.161 -3.881 1.00 0.00 N ATOM 1431 CA PHE A 89 -4.027 4.556 -3.486 1.00 0.00 C ATOM 1432 C PHE A 89 -5.497 4.970 -3.480 1.00 0.00 C ATOM 1433 O PHE A 89 -6.137 5.039 -4.537 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.233 5.455 -4.440 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.752 5.188 -4.443 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -1.207 4.221 -5.274 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -0.905 5.907 -3.614 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.152 3.974 -5.276 1.00 0.00 C ATOM 1439 CE2 PHE A 89 0.456 5.665 -3.610 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.986 4.698 -4.443 1.00 0.00 C ATOM 0 H PHE A 89 -4.004 2.999 -4.884 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.616 4.670 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.618 5.323 -5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.403 6.497 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.853 3.654 -5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.314 6.666 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.563 3.217 -5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.104 6.231 -2.957 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.049 4.508 -4.444 1.00 0.00 H new ATOM 1450 N ILE A 90 -6.036 5.214 -2.293 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.434 5.603 -2.147 1.00 0.00 C ATOM 1452 C ILE A 90 -7.547 7.037 -1.620 1.00 0.00 C ATOM 1453 O ILE A 90 -6.793 7.446 -0.736 1.00 0.00 O ATOM 1454 CB ILE A 90 -8.184 4.636 -1.201 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.064 3.193 -1.709 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.649 5.032 -1.070 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.696 2.171 -0.791 1.00 0.00 C ATOM 0 H ILE A 90 -5.524 5.149 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.895 5.552 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.725 4.700 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.530 3.123 -2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.010 2.949 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -10.155 4.337 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.718 6.042 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -10.123 5.001 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.572 1.175 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.214 2.212 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -9.758 2.389 -0.681 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.485 7.791 -2.179 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.703 9.184 -1.795 1.00 0.00 C ATOM 1471 C ASN A 91 -9.437 9.275 -0.466 1.00 0.00 C ATOM 1472 O ASN A 91 -10.002 8.292 0.014 1.00 0.00 O ATOM 1473 CB ASN A 91 -9.537 9.919 -2.852 1.00 0.00 C ATOM 1474 CG ASN A 91 -8.882 9.966 -4.216 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -7.658 9.958 -4.334 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -9.698 10.040 -5.256 1.00 0.00 N ATOM 0 H ASN A 91 -9.115 7.458 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.721 9.648 -1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.507 9.431 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.723 10.938 -2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.317 10.093 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.708 10.044 -5.113 1.00 0.00 H new ATOM 1483 N SER A 92 -9.461 10.476 0.097 1.00 0.00 N ATOM 1484 CA SER A 92 -10.202 10.753 1.319 1.00 0.00 C ATOM 1485 C SER A 92 -11.700 10.594 1.061 1.00 0.00 C ATOM 1486 O SER A 92 -12.478 10.269 1.962 1.00 0.00 O ATOM 1487 CB SER A 92 -9.883 12.175 1.788 1.00 0.00 C ATOM 1488 OG SER A 92 -10.578 12.512 2.973 1.00 0.00 O ATOM 0 H SER A 92 -8.967 11.285 -0.281 1.00 0.00 H new ATOM 0 HA SER A 92 -9.910 10.049 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.810 12.268 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.144 12.883 1.001 1.00 0.00 H new ATOM 0 HG SER A 92 -10.346 13.426 3.240 1.00 0.00 H new ATOM 1494 N SER A 93 -12.086 10.800 -0.194 1.00 0.00 N ATOM 1495 CA SER A 93 -13.472 10.669 -0.614 1.00 0.00 C ATOM 1496 C SER A 93 -13.866 9.198 -0.784 1.00 0.00 C ATOM 1497 O SER A 93 -14.989 8.888 -1.172 1.00 0.00 O ATOM 1498 CB SER A 93 -13.664 11.417 -1.932 1.00 0.00 C ATOM 1499 OG SER A 93 -13.070 12.702 -1.868 1.00 0.00 O ATOM 0 H SER A 93 -11.447 11.062 -0.945 1.00 0.00 H new ATOM 0 HA SER A 93 -14.114 11.097 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.221 10.846 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.728 11.513 -2.150 1.00 0.00 H new ATOM 0 HG SER A 93 -13.201 13.166 -2.721 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.929 8.297 -0.496 1.00 0.00 N ATOM 1506 CA GLY A 94 -13.200 6.874 -0.614 1.00 0.00 C ATOM 1507 C GLY A 94 -13.178 6.399 -2.052 1.00 0.00 C ATOM 1508 O GLY A 94 -13.824 5.413 -2.400 1.00 0.00 O ATOM 0 H GLY A 94 -11.986 8.528 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.460 6.317 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.174 6.655 -0.177 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.429 7.102 -2.888 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.346 6.768 -4.303 1.00 0.00 C ATOM 1514 C GLU A 95 -10.951 6.286 -4.650 1.00 0.00 C ATOM 1515 O GLU A 95 -9.970 6.771 -4.097 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.688 7.986 -5.158 1.00 0.00 C ATOM 1517 CG GLU A 95 -14.067 8.550 -4.889 1.00 0.00 C ATOM 1518 CD GLU A 95 -14.393 9.720 -5.784 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -14.508 9.519 -7.010 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -14.540 10.848 -5.271 1.00 0.00 O ATOM 0 H GLU A 95 -11.869 7.908 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.063 5.973 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.946 8.764 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.616 7.712 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.812 7.767 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.132 8.864 -3.847 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.861 5.334 -5.560 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.571 4.854 -6.023 1.00 0.00 C ATOM 1529 C VAL A 96 -8.970 5.837 -7.021 1.00 0.00 C ATOM 1530 O VAL A 96 -9.635 6.264 -7.966 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.679 3.448 -6.659 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -10.095 2.432 -5.609 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.665 3.438 -7.819 1.00 0.00 C ATOM 0 H VAL A 96 -11.664 4.878 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.916 4.777 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.698 3.179 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.168 1.445 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.352 2.408 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.063 2.713 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.717 2.435 -8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.651 3.732 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.333 4.139 -8.585 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.728 6.230 -6.788 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.067 7.170 -7.678 1.00 0.00 C ATOM 1545 C VAL A 97 -6.012 6.465 -8.527 1.00 0.00 C ATOM 1546 O VAL A 97 -5.921 6.695 -9.732 1.00 0.00 O ATOM 1547 CB VAL A 97 -6.449 8.363 -6.906 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.454 7.901 -5.853 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -5.795 9.340 -7.869 1.00 0.00 C ATOM 0 H VAL A 97 -7.163 5.917 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.829 7.576 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.260 8.873 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.044 8.768 -5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.958 7.254 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.646 7.350 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.367 10.171 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.006 8.831 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.542 9.719 -8.566 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.233 5.586 -7.912 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.232 4.828 -8.646 1.00 0.00 C ATOM 1561 C TYR A 98 -4.149 3.406 -8.117 1.00 0.00 C ATOM 1562 O TYR A 98 -4.093 3.179 -6.907 1.00 0.00 O ATOM 1563 CB TYR A 98 -2.856 5.505 -8.563 1.00 0.00 C ATOM 1564 CG TYR A 98 -1.805 4.874 -9.456 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -1.848 5.049 -10.832 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -0.773 4.106 -8.926 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -0.897 4.478 -11.657 1.00 0.00 C ATOM 1568 CE2 TYR A 98 0.183 3.534 -9.747 1.00 0.00 C ATOM 1569 CZ TYR A 98 0.116 3.723 -11.111 1.00 0.00 C ATOM 1570 OH TYR A 98 1.065 3.152 -11.933 1.00 0.00 O ATOM 0 H TYR A 98 -5.275 5.382 -6.914 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.535 4.798 -9.693 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.963 6.556 -8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.508 5.473 -7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.639 5.642 -11.266 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.717 3.954 -7.858 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.949 4.624 -12.726 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.979 2.941 -9.321 1.00 0.00 H new ATOM 0 HH TYR A 98 1.915 3.078 -11.450 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.176 2.455 -9.031 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.010 1.054 -8.688 1.00 0.00 C ATOM 1582 C ARG A 99 -2.652 0.575 -9.163 1.00 0.00 C ATOM 1583 O ARG A 99 -2.351 0.630 -10.353 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.111 0.208 -9.324 1.00 0.00 C ATOM 1585 CG ARG A 99 -6.477 0.415 -8.695 1.00 0.00 C ATOM 1586 CD ARG A 99 -7.565 -0.304 -9.480 1.00 0.00 C ATOM 1587 NE ARG A 99 -7.333 -1.748 -9.553 1.00 0.00 N ATOM 1588 CZ ARG A 99 -7.202 -2.422 -10.697 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -7.247 -1.779 -11.857 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -7.025 -3.736 -10.675 1.00 0.00 N ATOM 0 H ARG A 99 -4.313 2.629 -10.027 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.078 0.947 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.170 0.443 -10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -4.840 -0.845 -9.245 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.465 0.050 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.702 1.481 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.532 -0.116 -9.013 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.614 0.106 -10.489 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.268 -2.269 -8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.382 -0.768 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.147 -2.296 -12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.989 -4.231 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.925 -4.252 -11.549 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.829 0.120 -8.238 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.497 -0.343 -8.584 1.00 0.00 C ATOM 1606 C LEU A 100 -0.351 -1.829 -8.286 1.00 0.00 C ATOM 1607 O LEU A 100 -0.275 -2.242 -7.130 1.00 0.00 O ATOM 1608 CB LEU A 100 0.556 0.461 -7.817 1.00 0.00 C ATOM 1609 CG LEU A 100 2.011 0.125 -8.154 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.292 0.371 -9.628 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.955 0.946 -7.291 1.00 0.00 C ATOM 0 H LEU A 100 -2.057 0.061 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.344 -0.192 -9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.391 1.521 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.402 0.304 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 100 2.177 -0.932 -7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.331 0.126 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.637 -0.256 -10.233 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.109 1.420 -9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.986 0.697 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.784 2.007 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.773 0.724 -6.240 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.336 -2.631 -9.337 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.093 -4.056 -9.201 1.00 0.00 C ATOM 1625 C VAL A 101 1.332 -4.384 -9.628 1.00 0.00 C ATOM 1626 O VAL A 101 1.650 -4.433 -10.821 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.106 -4.905 -10.003 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -2.430 -4.995 -9.258 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.326 -4.326 -11.397 1.00 0.00 C ATOM 0 H VAL A 101 -0.490 -2.318 -10.296 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.226 -4.311 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.692 -5.907 -10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.132 -5.596 -9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.269 -5.460 -8.285 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.838 -3.994 -9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.043 -4.943 -11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.713 -3.310 -11.312 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.380 -4.310 -11.938 1.00 0.00 H new ATOM 1639 N GLY A 102 2.190 -4.572 -8.642 1.00 0.00 N ATOM 1640 CA GLY A 102 3.586 -4.833 -8.906 1.00 0.00 C ATOM 1641 C GLY A 102 4.474 -4.044 -7.971 1.00 0.00 C ATOM 1642 O GLY A 102 4.017 -3.098 -7.331 1.00 0.00 O ATOM 0 H GLY A 102 1.941 -4.548 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.788 -5.898 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.819 -4.573 -9.939 1.00 0.00 H new ATOM 1646 N ALA A 103 5.741 -4.424 -7.890 1.00 0.00 N ATOM 1647 CA ALA A 103 6.677 -3.764 -6.995 1.00 0.00 C ATOM 1648 C ALA A 103 8.108 -4.030 -7.417 1.00 0.00 C ATOM 1649 O ALA A 103 8.551 -5.179 -7.462 1.00 0.00 O ATOM 1650 CB ALA A 103 6.462 -4.222 -5.564 1.00 0.00 C ATOM 0 H ALA A 103 6.144 -5.187 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 103 6.494 -2.691 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.172 -3.717 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.446 -3.979 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.613 -5.300 -5.500 1.00 0.00 H new ATOM 1656 N GLU A 104 8.817 -2.963 -7.739 1.00 0.00 N ATOM 1657 CA GLU A 104 10.214 -3.053 -8.125 1.00 0.00 C ATOM 1658 C GLU A 104 11.095 -2.675 -6.937 1.00 0.00 C ATOM 1659 O GLU A 104 10.590 -2.455 -5.834 1.00 0.00 O ATOM 1660 CB GLU A 104 10.489 -2.120 -9.306 1.00 0.00 C ATOM 1661 CG GLU A 104 9.548 -2.327 -10.485 1.00 0.00 C ATOM 1662 CD GLU A 104 9.785 -3.635 -11.214 1.00 0.00 C ATOM 1663 OE1 GLU A 104 9.295 -4.685 -10.749 1.00 0.00 O ATOM 1664 OE2 GLU A 104 10.463 -3.615 -12.263 1.00 0.00 O ATOM 0 H GLU A 104 8.443 -2.014 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 104 10.442 -4.075 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.410 -1.087 -8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.515 -2.267 -9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.518 -2.298 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.667 -1.501 -11.186 1.00 0.00 H new ATOM 1671 N ASP A 105 12.404 -2.613 -7.162 1.00 0.00 N ATOM 1672 CA ASP A 105 13.349 -2.160 -6.142 1.00 0.00 C ATOM 1673 C ASP A 105 12.931 -0.774 -5.636 1.00 0.00 C ATOM 1674 O ASP A 105 12.314 -0.010 -6.378 1.00 0.00 O ATOM 1675 CB ASP A 105 14.764 -2.128 -6.734 1.00 0.00 C ATOM 1676 CG ASP A 105 15.851 -1.928 -5.697 1.00 0.00 C ATOM 1677 OD1 ASP A 105 16.067 -2.835 -4.872 1.00 0.00 O ATOM 1678 OD2 ASP A 105 16.511 -0.870 -5.719 1.00 0.00 O ATOM 0 H ASP A 105 12.838 -2.872 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 105 13.345 -2.849 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.948 -3.062 -7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.823 -1.326 -7.470 1.00 0.00 H new ATOM 1683 N ALA A 106 13.274 -0.458 -4.387 1.00 0.00 N ATOM 1684 CA ALA A 106 12.753 0.740 -3.701 1.00 0.00 C ATOM 1685 C ALA A 106 12.757 2.016 -4.568 1.00 0.00 C ATOM 1686 O ALA A 106 11.706 2.645 -4.717 1.00 0.00 O ATOM 1687 CB ALA A 106 13.492 0.972 -2.385 1.00 0.00 C ATOM 0 H ALA A 106 13.914 -1.015 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 106 11.703 0.531 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.093 1.860 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.358 0.107 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.554 1.114 -2.584 1.00 0.00 H new ATOM 1693 N PRO A 107 13.908 2.429 -5.155 1.00 0.00 N ATOM 1694 CA PRO A 107 13.965 3.637 -5.996 1.00 0.00 C ATOM 1695 C PRO A 107 13.021 3.566 -7.195 1.00 0.00 C ATOM 1696 O PRO A 107 12.427 4.569 -7.591 1.00 0.00 O ATOM 1697 CB PRO A 107 15.422 3.683 -6.471 1.00 0.00 C ATOM 1698 CG PRO A 107 16.175 2.875 -5.473 1.00 0.00 C ATOM 1699 CD PRO A 107 15.234 1.789 -5.047 1.00 0.00 C ATOM 0 HA PRO A 107 13.654 4.523 -5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.524 3.268 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.793 4.707 -6.511 1.00 0.00 H new ATOM 0 HG2 PRO A 107 17.083 2.459 -5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.480 3.486 -4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.312 0.913 -5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.438 1.455 -4.030 1.00 0.00 H new ATOM 1707 N GLU A 108 12.884 2.378 -7.767 1.00 0.00 N ATOM 1708 CA GLU A 108 12.026 2.179 -8.924 1.00 0.00 C ATOM 1709 C GLU A 108 10.556 2.205 -8.519 1.00 0.00 C ATOM 1710 O GLU A 108 9.715 2.744 -9.239 1.00 0.00 O ATOM 1711 CB GLU A 108 12.372 0.856 -9.604 1.00 0.00 C ATOM 1712 CG GLU A 108 13.790 0.812 -10.153 1.00 0.00 C ATOM 1713 CD GLU A 108 14.145 -0.533 -10.749 1.00 0.00 C ATOM 1714 OE1 GLU A 108 13.660 -0.845 -11.860 1.00 0.00 O ATOM 1715 OE2 GLU A 108 14.921 -1.282 -10.119 1.00 0.00 O ATOM 0 H GLU A 108 13.359 1.534 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 108 12.194 2.994 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.242 0.044 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.669 0.680 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.904 1.584 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.492 1.047 -9.353 1.00 0.00 H new ATOM 1722 N LEU A 109 10.254 1.624 -7.362 1.00 0.00 N ATOM 1723 CA LEU A 109 8.897 1.640 -6.825 1.00 0.00 C ATOM 1724 C LEU A 109 8.457 3.067 -6.548 1.00 0.00 C ATOM 1725 O LEU A 109 7.415 3.512 -7.023 1.00 0.00 O ATOM 1726 CB LEU A 109 8.817 0.834 -5.528 1.00 0.00 C ATOM 1727 CG LEU A 109 7.419 0.755 -4.901 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.468 -0.042 -5.783 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.491 0.150 -3.508 1.00 0.00 C ATOM 0 H LEU A 109 10.932 1.135 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 109 8.238 1.190 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.169 -0.179 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.501 1.273 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 109 7.030 1.770 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.485 -0.082 -5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.386 0.439 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.851 -1.055 -5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.490 0.102 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.908 -0.855 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.127 0.769 -2.875 1.00 0.00 H new ATOM 1741 N LEU A 110 9.273 3.771 -5.776 1.00 0.00 N ATOM 1742 CA LEU A 110 9.009 5.162 -5.425 1.00 0.00 C ATOM 1743 C LEU A 110 8.803 6.008 -6.678 1.00 0.00 C ATOM 1744 O LEU A 110 7.973 6.918 -6.697 1.00 0.00 O ATOM 1745 CB LEU A 110 10.169 5.724 -4.601 1.00 0.00 C ATOM 1746 CG LEU A 110 10.006 7.174 -4.141 1.00 0.00 C ATOM 1747 CD1 LEU A 110 8.803 7.316 -3.221 1.00 0.00 C ATOM 1748 CD2 LEU A 110 11.268 7.654 -3.446 1.00 0.00 C ATOM 0 H LEU A 110 10.134 3.397 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 110 8.096 5.198 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.306 5.095 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.082 5.649 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 110 9.837 7.795 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.706 8.355 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.901 7.012 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.939 6.682 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.136 8.687 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.466 7.026 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.109 7.593 -4.137 1.00 0.00 H new ATOM 1760 N LYS A 111 9.551 5.692 -7.725 1.00 0.00 N ATOM 1761 CA LYS A 111 9.445 6.408 -8.986 1.00 0.00 C ATOM 1762 C LYS A 111 8.088 6.148 -9.636 1.00 0.00 C ATOM 1763 O LYS A 111 7.454 7.064 -10.154 1.00 0.00 O ATOM 1764 CB LYS A 111 10.582 5.995 -9.922 1.00 0.00 C ATOM 1765 CG LYS A 111 10.749 6.905 -11.124 1.00 0.00 C ATOM 1766 CD LYS A 111 12.005 6.559 -11.900 1.00 0.00 C ATOM 1767 CE LYS A 111 12.242 7.541 -13.030 1.00 0.00 C ATOM 1768 NZ LYS A 111 13.491 7.242 -13.776 1.00 0.00 N ATOM 0 H LYS A 111 10.241 4.941 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 111 9.528 7.477 -8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.515 5.978 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.401 4.978 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.879 6.816 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.796 7.943 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.863 6.561 -11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 111 11.919 5.550 -12.304 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.395 7.515 -13.716 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.294 8.552 -12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.614 7.937 -14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.303 7.292 -13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.432 6.287 -14.184 1.00 0.00 H new ATOM 1782 N LYS A 112 7.635 4.898 -9.585 1.00 0.00 N ATOM 1783 CA LYS A 112 6.325 4.539 -10.124 1.00 0.00 C ATOM 1784 C LYS A 112 5.211 5.209 -9.329 1.00 0.00 C ATOM 1785 O LYS A 112 4.180 5.580 -9.884 1.00 0.00 O ATOM 1786 CB LYS A 112 6.124 3.022 -10.121 1.00 0.00 C ATOM 1787 CG LYS A 112 6.985 2.291 -11.135 1.00 0.00 C ATOM 1788 CD LYS A 112 6.705 0.797 -11.124 1.00 0.00 C ATOM 1789 CE LYS A 112 7.501 0.070 -12.195 1.00 0.00 C ATOM 1790 NZ LYS A 112 7.101 0.475 -13.569 1.00 0.00 N ATOM 0 H LYS A 112 8.153 4.119 -9.178 1.00 0.00 H new ATOM 0 HA LYS A 112 6.286 4.892 -11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.345 2.637 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.075 2.803 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.796 2.691 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.038 2.467 -10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.953 0.387 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.640 0.625 -11.282 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.563 0.271 -12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.362 -1.005 -12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.503 -0.192 -14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.064 0.468 -13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.456 1.432 -13.766 1.00 0.00 H new ATOM 1804 N VAL A 113 5.431 5.360 -8.029 1.00 0.00 N ATOM 1805 CA VAL A 113 4.490 6.067 -7.171 1.00 0.00 C ATOM 1806 C VAL A 113 4.317 7.506 -7.650 1.00 0.00 C ATOM 1807 O VAL A 113 3.203 8.018 -7.715 1.00 0.00 O ATOM 1808 CB VAL A 113 4.954 6.063 -5.696 1.00 0.00 C ATOM 1809 CG1 VAL A 113 4.009 6.879 -4.826 1.00 0.00 C ATOM 1810 CG2 VAL A 113 5.062 4.638 -5.169 1.00 0.00 C ATOM 0 H VAL A 113 6.254 5.001 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 113 3.535 5.545 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 113 5.941 6.524 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.358 6.860 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.985 7.909 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.007 6.453 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.390 4.658 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.089 4.152 -5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.785 4.083 -5.767 1.00 0.00 H new ATOM 1820 N LYS A 114 5.426 8.139 -8.012 1.00 0.00 N ATOM 1821 CA LYS A 114 5.401 9.505 -8.528 1.00 0.00 C ATOM 1822 C LYS A 114 4.587 9.585 -9.819 1.00 0.00 C ATOM 1823 O LYS A 114 3.806 10.516 -10.017 1.00 0.00 O ATOM 1824 CB LYS A 114 6.828 9.994 -8.764 1.00 0.00 C ATOM 1825 CG LYS A 114 7.645 10.080 -7.486 1.00 0.00 C ATOM 1826 CD LYS A 114 9.111 10.348 -7.771 1.00 0.00 C ATOM 1827 CE LYS A 114 9.902 10.506 -6.482 1.00 0.00 C ATOM 1828 NZ LYS A 114 11.354 10.674 -6.741 1.00 0.00 N ATOM 0 H LYS A 114 6.358 7.728 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 114 4.922 10.148 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.326 9.321 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.796 10.976 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.247 10.873 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.547 9.148 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.526 9.528 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.208 11.251 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.529 11.369 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 114 9.745 9.632 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.858 10.779 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.716 9.839 -7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.507 11.522 -7.323 1.00 0.00 H new ATOM 1842 N LEU A 115 4.763 8.589 -10.684 1.00 0.00 N ATOM 1843 CA LEU A 115 4.009 8.499 -11.933 1.00 0.00 C ATOM 1844 C LEU A 115 2.535 8.191 -11.664 1.00 0.00 C ATOM 1845 O LEU A 115 1.681 8.371 -12.532 1.00 0.00 O ATOM 1846 CB LEU A 115 4.606 7.418 -12.848 1.00 0.00 C ATOM 1847 CG LEU A 115 5.776 7.856 -13.747 1.00 0.00 C ATOM 1848 CD1 LEU A 115 5.324 8.910 -14.746 1.00 0.00 C ATOM 1849 CD2 LEU A 115 6.946 8.378 -12.925 1.00 0.00 C ATOM 0 H LEU A 115 5.426 7.827 -10.542 1.00 0.00 H new ATOM 0 HA LEU A 115 4.077 9.466 -12.432 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.945 6.591 -12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.811 7.032 -13.485 1.00 0.00 H new ATOM 0 HG LEU A 115 6.114 6.976 -14.294 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.167 9.205 -15.371 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.533 8.500 -15.374 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.948 9.781 -14.210 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.754 8.678 -13.592 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.623 9.237 -12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.300 7.593 -12.257 1.00 0.00 H new ATOM 1861 N GLY A 116 2.244 7.717 -10.462 1.00 0.00 N ATOM 1862 CA GLY A 116 0.879 7.394 -10.106 1.00 0.00 C ATOM 1863 C GLY A 116 0.153 8.557 -9.465 1.00 0.00 C ATOM 1864 O GLY A 116 -1.005 8.826 -9.785 1.00 0.00 O ATOM 0 H GLY A 116 2.930 7.550 -9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.339 7.082 -11.000 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.877 6.547 -9.420 1.00 0.00 H new ATOM 1868 N VAL A 117 0.834 9.246 -8.557 1.00 0.00 N ATOM 1869 CA VAL A 117 0.244 10.371 -7.840 1.00 0.00 C ATOM 1870 C VAL A 117 -0.018 11.547 -8.779 1.00 0.00 C ATOM 1871 O VAL A 117 -1.001 12.276 -8.606 1.00 0.00 O ATOM 1872 CB VAL A 117 1.149 10.833 -6.677 1.00 0.00 C ATOM 1873 CG1 VAL A 117 0.529 12.010 -5.937 1.00 0.00 C ATOM 1874 CG2 VAL A 117 1.412 9.687 -5.714 1.00 0.00 C ATOM 0 H VAL A 117 1.800 9.044 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.705 10.026 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 117 2.099 11.157 -7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.187 12.315 -5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.394 12.843 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.439 11.715 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.051 10.033 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.466 9.331 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.907 8.873 -6.244 1.00 0.00 H new ATOM 1884 N GLU A 118 0.856 11.712 -9.774 1.00 0.00 N ATOM 1885 CA GLU A 118 0.751 12.799 -10.748 1.00 0.00 C ATOM 1886 C GLU A 118 1.064 14.148 -10.105 1.00 0.00 C ATOM 1887 O GLU A 118 0.298 14.663 -9.287 1.00 0.00 O ATOM 1888 CB GLU A 118 -0.634 12.829 -11.406 1.00 0.00 C ATOM 1889 CG GLU A 118 -0.857 11.711 -12.409 1.00 0.00 C ATOM 1890 CD GLU A 118 0.042 11.844 -13.619 1.00 0.00 C ATOM 1891 OE1 GLU A 118 -0.273 12.660 -14.512 1.00 0.00 O ATOM 1892 OE2 GLU A 118 1.066 11.142 -13.685 1.00 0.00 O ATOM 0 H GLU A 118 1.655 11.097 -9.927 1.00 0.00 H new ATOM 0 HA GLU A 118 1.491 12.610 -11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.397 12.766 -10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.768 13.787 -11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -0.675 10.750 -11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.899 11.715 -12.730 1.00 0.00 H new