USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 5 SER OG : rot 150:sc= 0.653 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.742 K(o=1.4,f=0.32) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc=-0.00476 K(o=-0.0048,f=-3.6!) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0113) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 17 MET CE :methyl 173:sc= -1.67 (180deg=-1.96!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.56 USER MOD Single : A 24 MET CE :methyl -125:sc= -0.749 (180deg=-2.04!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 71:sc= -0.938 USER MOD Single : A 31 MET CE :methyl 159:sc= -0.187 (180deg=-0.853) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -27:sc= 0.536 USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0471) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -132:sc= 1.1 (180deg=-0.131) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 90:sc= 0.931 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.13) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -160:sc= -2.75! (180deg=-4.79!) USER MOD Single : A 81 TYR OH : rot 150:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 1.07 (180deg=0.941) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 14.218 -8.399 1.449 1.00 1.00 N ATOM 107 CA VAL A 2 12.990 -8.603 2.243 1.00 1.00 C ATOM 108 C VAL A 2 12.022 -7.432 2.144 1.00 1.00 C ATOM 109 O VAL A 2 11.423 -7.005 3.130 1.00 1.00 O ATOM 110 CB VAL A 2 13.275 -8.934 3.734 1.00 1.00 C ATOM 111 CG1 VAL A 2 13.994 -10.265 3.855 1.00 1.00 C ATOM 112 CG2 VAL A 2 14.076 -7.838 4.425 1.00 1.00 C ATOM 0 HA VAL A 2 12.514 -9.475 1.795 1.00 1.00 H new ATOM 0 HB VAL A 2 12.311 -9.000 4.238 1.00 1.00 H new ATOM 0 HG11 VAL A 2 14.186 -10.481 4.906 1.00 1.00 H new ATOM 0 HG12 VAL A 2 13.373 -11.054 3.430 1.00 1.00 H new ATOM 0 HG13 VAL A 2 14.940 -10.218 3.316 1.00 1.00 H new ATOM 0 HG21 VAL A 2 14.250 -8.115 5.465 1.00 1.00 H new ATOM 0 HG22 VAL A 2 15.033 -7.712 3.918 1.00 1.00 H new ATOM 0 HG23 VAL A 2 13.519 -6.902 4.387 1.00 1.00 H new ATOM 122 N ALA A 3 11.834 -6.955 0.933 1.00 1.00 N ATOM 123 CA ALA A 3 10.972 -5.816 0.694 1.00 1.00 C ATOM 124 C ALA A 3 9.745 -6.234 -0.092 1.00 1.00 C ATOM 125 O ALA A 3 9.805 -7.133 -0.932 1.00 1.00 O ATOM 126 CB ALA A 3 11.728 -4.719 -0.034 1.00 1.00 C ATOM 0 H ALA A 3 12.268 -7.340 0.094 1.00 1.00 H new ATOM 0 HA ALA A 3 10.644 -5.424 1.657 1.00 1.00 H new ATOM 0 HB1 ALA A 3 11.064 -3.871 -0.205 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.577 -4.399 0.571 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.087 -5.098 -0.991 1.00 1.00 H new ATOM 132 N LEU A 4 8.632 -5.591 0.197 1.00 1.00 N ATOM 133 CA LEU A 4 7.380 -5.900 -0.460 1.00 1.00 C ATOM 134 C LEU A 4 7.121 -4.901 -1.579 1.00 1.00 C ATOM 135 O LEU A 4 6.741 -3.758 -1.325 1.00 1.00 O ATOM 136 CB LEU A 4 6.222 -5.877 0.549 1.00 1.00 C ATOM 137 CG LEU A 4 6.220 -6.999 1.600 1.00 1.00 C ATOM 138 CD1 LEU A 4 7.374 -6.852 2.578 1.00 1.00 C ATOM 139 CD2 LEU A 4 4.901 -7.020 2.354 1.00 1.00 C ATOM 0 H LEU A 4 8.570 -4.844 0.889 1.00 1.00 H new ATOM 0 HA LEU A 4 7.447 -6.901 -0.885 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.239 -4.919 1.069 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.284 -5.923 -0.004 1.00 1.00 H new ATOM 0 HG LEU A 4 6.345 -7.943 1.070 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.340 -7.663 3.306 1.00 1.00 H new ATOM 0 HD12 LEU A 4 8.318 -6.891 2.035 1.00 1.00 H new ATOM 0 HD13 LEU A 4 7.293 -5.896 3.096 1.00 1.00 H new ATOM 0 HD21 LEU A 4 4.917 -7.820 3.094 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.754 -6.064 2.857 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.084 -7.191 1.653 1.00 1.00 H new ATOM 151 N SER A 5 7.348 -5.326 -2.810 1.00 1.00 N ATOM 152 CA SER A 5 7.127 -4.467 -3.960 1.00 1.00 C ATOM 153 C SER A 5 5.718 -4.672 -4.506 1.00 1.00 C ATOM 154 O SER A 5 5.435 -5.673 -5.166 1.00 1.00 O ATOM 155 CB SER A 5 8.169 -4.763 -5.041 1.00 1.00 C ATOM 156 OG SER A 5 9.482 -4.750 -4.500 1.00 1.00 O ATOM 0 H SER A 5 7.685 -6.261 -3.039 1.00 1.00 H new ATOM 0 HA SER A 5 7.230 -3.427 -3.652 1.00 1.00 H new ATOM 0 HB2 SER A 5 7.966 -5.735 -5.490 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.093 -4.022 -5.837 1.00 1.00 H new ATOM 0 HG SER A 5 10.050 -5.368 -5.005 1.00 1.00 H new ATOM 162 N LEU A 6 4.834 -3.730 -4.216 1.00 1.00 N ATOM 163 CA LEU A 6 3.448 -3.828 -4.644 1.00 1.00 C ATOM 164 C LEU A 6 3.079 -2.664 -5.547 1.00 1.00 C ATOM 165 O LEU A 6 3.686 -1.593 -5.486 1.00 1.00 O ATOM 166 CB LEU A 6 2.489 -3.868 -3.448 1.00 1.00 C ATOM 167 CG LEU A 6 2.418 -5.187 -2.691 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.589 -5.338 -1.739 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.101 -5.298 -1.943 1.00 1.00 C ATOM 0 H LEU A 6 5.053 -2.887 -3.685 1.00 1.00 H new ATOM 0 HA LEU A 6 3.350 -4.761 -5.198 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.781 -3.086 -2.748 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.488 -3.621 -3.802 1.00 1.00 H new ATOM 0 HG LEU A 6 2.475 -5.997 -3.418 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.510 -6.290 -1.213 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.522 -5.311 -2.302 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.578 -4.522 -1.016 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.066 -6.246 -1.407 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.016 -4.476 -1.232 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.275 -5.251 -2.652 1.00 1.00 H new ATOM 181 N LYS A 7 2.084 -2.888 -6.382 1.00 1.00 N ATOM 182 CA LYS A 7 1.586 -1.860 -7.276 1.00 1.00 C ATOM 183 C LYS A 7 0.420 -1.139 -6.621 1.00 1.00 C ATOM 184 O LYS A 7 -0.573 -1.764 -6.253 1.00 1.00 O ATOM 185 CB LYS A 7 1.145 -2.483 -8.597 1.00 1.00 C ATOM 186 CG LYS A 7 2.247 -3.263 -9.288 1.00 1.00 C ATOM 187 CD LYS A 7 1.729 -3.959 -10.530 1.00 1.00 C ATOM 188 CE LYS A 7 2.830 -4.731 -11.234 1.00 1.00 C ATOM 189 NZ LYS A 7 2.316 -5.486 -12.406 1.00 1.00 N ATOM 0 H LYS A 7 1.600 -3.782 -6.460 1.00 1.00 H new ATOM 0 HA LYS A 7 2.382 -1.143 -7.479 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.299 -3.146 -8.414 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.794 -1.695 -9.263 1.00 1.00 H new ATOM 0 HG2 LYS A 7 3.059 -2.588 -9.558 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.660 -4.001 -8.600 1.00 1.00 H new ATOM 0 HD2 LYS A 7 0.923 -4.640 -10.257 1.00 1.00 H new ATOM 0 HD3 LYS A 7 1.307 -3.221 -11.212 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.607 -4.039 -11.560 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.294 -5.423 -10.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 3.099 -5.999 -12.859 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 1.593 -6.164 -12.092 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 1.896 -4.823 -13.089 1.00 1.00 H new ATOM 203 N ILE A 8 0.547 0.164 -6.457 1.00 1.00 N ATOM 204 CA ILE A 8 -0.467 0.943 -5.772 1.00 1.00 C ATOM 205 C ILE A 8 -1.274 1.778 -6.757 1.00 1.00 C ATOM 206 O ILE A 8 -0.725 2.600 -7.488 1.00 1.00 O ATOM 207 CB ILE A 8 0.153 1.874 -4.710 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.052 1.080 -3.753 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.946 2.593 -3.941 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.326 -0.006 -2.985 1.00 1.00 C ATOM 0 H ILE A 8 1.344 0.706 -6.790 1.00 1.00 H new ATOM 0 HA ILE A 8 -1.127 0.232 -5.274 1.00 1.00 H new ATOM 0 HB ILE A 8 0.770 2.617 -5.215 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.863 0.627 -4.324 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.508 1.770 -3.043 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.498 3.248 -3.194 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.545 3.187 -4.632 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.583 1.860 -3.446 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.029 -0.521 -2.331 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.467 0.441 -2.385 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.107 -0.720 -3.686 1.00 1.00 H new ATOM 222 N SER A 9 -2.576 1.550 -6.776 1.00 1.00 N ATOM 223 CA SER A 9 -3.476 2.303 -7.630 1.00 1.00 C ATOM 224 C SER A 9 -4.062 3.491 -6.873 1.00 1.00 C ATOM 225 O SER A 9 -4.913 3.324 -6.000 1.00 1.00 O ATOM 226 CB SER A 9 -4.598 1.394 -8.144 1.00 1.00 C ATOM 227 OG SER A 9 -5.528 2.113 -8.936 1.00 1.00 O ATOM 0 H SER A 9 -3.036 0.842 -6.203 1.00 1.00 H new ATOM 0 HA SER A 9 -2.912 2.682 -8.482 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.169 0.582 -8.732 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.114 0.938 -7.299 1.00 1.00 H new ATOM 0 HG SER A 9 -6.230 1.505 -9.250 1.00 1.00 H new ATOM 233 N ILE A 10 -3.579 4.682 -7.189 1.00 1.00 N ATOM 234 CA ILE A 10 -4.119 5.907 -6.620 1.00 1.00 C ATOM 235 C ILE A 10 -5.008 6.591 -7.652 1.00 1.00 C ATOM 236 O ILE A 10 -4.515 7.257 -8.564 1.00 1.00 O ATOM 237 CB ILE A 10 -2.998 6.879 -6.184 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.120 6.246 -5.107 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.592 8.185 -5.671 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.810 6.971 -4.900 1.00 1.00 C ATOM 0 H ILE A 10 -2.808 4.827 -7.841 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.697 5.642 -5.734 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.379 7.092 -7.056 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.669 6.227 -4.166 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.915 5.210 -5.378 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -2.788 8.856 -5.369 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.178 8.653 -6.462 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.235 7.981 -4.815 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.235 6.469 -4.122 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.241 6.968 -5.830 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.007 8.000 -4.599 1.00 1.00 H new ATOM 252 N GLY A 11 -6.312 6.398 -7.525 1.00 1.00 N ATOM 253 CA GLY A 11 -7.238 6.945 -8.493 1.00 1.00 C ATOM 254 C GLY A 11 -7.086 6.282 -9.845 1.00 1.00 C ATOM 255 O GLY A 11 -7.563 5.165 -10.054 1.00 1.00 O ATOM 0 H GLY A 11 -6.746 5.871 -6.767 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.259 6.814 -8.135 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.071 8.017 -8.592 1.00 1.00 H new ATOM 259 N ASN A 12 -6.410 6.962 -10.759 1.00 1.00 N ATOM 260 CA ASN A 12 -6.148 6.417 -12.085 1.00 1.00 C ATOM 261 C ASN A 12 -4.648 6.256 -12.302 1.00 1.00 C ATOM 262 O ASN A 12 -4.198 5.894 -13.390 1.00 1.00 O ATOM 263 CB ASN A 12 -6.737 7.322 -13.177 1.00 1.00 C ATOM 264 CG ASN A 12 -8.257 7.269 -13.246 1.00 1.00 C ATOM 265 OD1 ASN A 12 -8.934 7.034 -12.246 1.00 1.00 O ATOM 266 ND2 ASN A 12 -8.806 7.494 -14.430 1.00 1.00 N ATOM 0 H ASN A 12 -6.031 7.897 -10.607 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.627 5.440 -12.149 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.424 8.350 -12.995 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -6.326 7.029 -14.143 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -9.821 7.476 -14.534 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.214 7.686 -15.238 1.00 1.00 H new ATOM 273 N VAL A 13 -3.875 6.529 -11.261 1.00 1.00 N ATOM 274 CA VAL A 13 -2.424 6.440 -11.343 1.00 1.00 C ATOM 275 C VAL A 13 -1.913 5.242 -10.547 1.00 1.00 C ATOM 276 O VAL A 13 -1.881 5.268 -9.317 1.00 1.00 O ATOM 277 CB VAL A 13 -1.745 7.728 -10.823 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.232 7.639 -10.967 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.279 8.951 -11.554 1.00 1.00 C ATOM 0 H VAL A 13 -4.229 6.815 -10.348 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.168 6.314 -12.395 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.982 7.830 -9.764 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.224 8.557 -10.595 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.139 6.790 -10.392 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.026 7.506 -12.018 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -1.788 9.846 -11.173 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.078 8.854 -12.621 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.354 9.031 -11.393 1.00 1.00 H new ATOM 289 N VAL A 14 -1.538 4.185 -11.253 1.00 1.00 N ATOM 290 CA VAL A 14 -0.992 2.997 -10.614 1.00 1.00 C ATOM 291 C VAL A 14 0.532 3.033 -10.656 1.00 1.00 C ATOM 292 O VAL A 14 1.130 3.095 -11.734 1.00 1.00 O ATOM 293 CB VAL A 14 -1.485 1.701 -11.293 1.00 1.00 C ATOM 294 CG1 VAL A 14 -1.058 0.479 -10.491 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.994 1.726 -11.473 1.00 1.00 C ATOM 0 H VAL A 14 -1.602 4.126 -12.269 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.339 2.996 -9.581 1.00 1.00 H new ATOM 0 HB VAL A 14 -1.027 1.639 -12.280 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -1.415 -0.424 -10.986 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.030 0.450 -10.423 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -1.482 0.535 -9.489 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -3.318 0.803 -11.953 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -3.475 1.817 -10.499 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -3.272 2.576 -12.096 1.00 1.00 H new ATOM 305 N LYS A 15 1.155 3.002 -9.489 1.00 1.00 N ATOM 306 CA LYS A 15 2.608 3.057 -9.389 1.00 1.00 C ATOM 307 C LYS A 15 3.116 1.972 -8.450 1.00 1.00 C ATOM 308 O LYS A 15 2.504 1.695 -7.423 1.00 1.00 O ATOM 309 CB LYS A 15 3.070 4.434 -8.896 1.00 1.00 C ATOM 310 CG LYS A 15 2.807 5.563 -9.882 1.00 1.00 C ATOM 311 CD LYS A 15 3.563 5.357 -11.179 1.00 1.00 C ATOM 312 CE LYS A 15 3.177 6.398 -12.213 1.00 1.00 C ATOM 313 NZ LYS A 15 3.634 7.761 -11.838 1.00 1.00 N ATOM 0 H LYS A 15 0.675 2.939 -8.591 1.00 1.00 H new ATOM 0 HA LYS A 15 3.022 2.889 -10.383 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.566 4.661 -7.957 1.00 1.00 H new ATOM 0 HB3 LYS A 15 4.138 4.393 -8.683 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.739 5.625 -10.089 1.00 1.00 H new ATOM 0 HG3 LYS A 15 3.101 6.513 -9.436 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.635 5.409 -10.990 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.356 4.360 -11.569 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.606 6.126 -13.177 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.094 6.401 -12.336 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.392 8.429 -12.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 3.166 8.054 -10.957 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.664 7.755 -11.697 1.00 1.00 H new ATOM 327 N THR A 16 4.227 1.357 -8.811 1.00 1.00 N ATOM 328 CA THR A 16 4.804 0.292 -8.010 1.00 1.00 C ATOM 329 C THR A 16 5.766 0.864 -6.969 1.00 1.00 C ATOM 330 O THR A 16 6.657 1.650 -7.301 1.00 1.00 O ATOM 331 CB THR A 16 5.553 -0.714 -8.904 1.00 1.00 C ATOM 332 OG1 THR A 16 4.720 -1.091 -10.009 1.00 1.00 O ATOM 333 CG2 THR A 16 5.951 -1.957 -8.120 1.00 1.00 C ATOM 0 H THR A 16 4.751 1.578 -9.658 1.00 1.00 H new ATOM 0 HA THR A 16 3.990 -0.223 -7.499 1.00 1.00 H new ATOM 0 HB THR A 16 6.461 -0.234 -9.270 1.00 1.00 H new ATOM 0 HG1 THR A 16 5.199 -1.730 -10.577 1.00 1.00 H new ATOM 0 HG21 THR A 16 6.478 -2.649 -8.777 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.603 -1.673 -7.294 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.057 -2.441 -7.726 1.00 1.00 H new ATOM 341 N MET A 17 5.574 0.480 -5.714 1.00 1.00 N ATOM 342 CA MET A 17 6.439 0.932 -4.632 1.00 1.00 C ATOM 343 C MET A 17 6.925 -0.247 -3.806 1.00 1.00 C ATOM 344 O MET A 17 6.266 -1.285 -3.739 1.00 1.00 O ATOM 345 CB MET A 17 5.718 1.934 -3.731 1.00 1.00 C ATOM 346 CG MET A 17 5.669 3.343 -4.296 1.00 1.00 C ATOM 347 SD MET A 17 4.940 4.525 -3.145 1.00 1.00 S ATOM 348 CE MET A 17 5.921 4.219 -1.678 1.00 1.00 C ATOM 0 H MET A 17 4.824 -0.146 -5.419 1.00 1.00 H new ATOM 0 HA MET A 17 7.299 1.428 -5.082 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.699 1.586 -3.559 1.00 1.00 H new ATOM 0 HB3 MET A 17 6.214 1.959 -2.761 1.00 1.00 H new ATOM 0 HG2 MET A 17 6.679 3.664 -4.550 1.00 1.00 H new ATOM 0 HG3 MET A 17 5.093 3.340 -5.222 1.00 1.00 H new ATOM 0 HE1 MET A 17 5.675 4.958 -0.915 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.706 3.220 -1.298 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.980 4.293 -1.926 1.00 1.00 H new ATOM 358 N GLN A 18 8.078 -0.081 -3.179 1.00 1.00 N ATOM 359 CA GLN A 18 8.680 -1.144 -2.388 1.00 1.00 C ATOM 360 C GLN A 18 8.630 -0.786 -0.906 1.00 1.00 C ATOM 361 O GLN A 18 9.215 0.212 -0.478 1.00 1.00 O ATOM 362 CB GLN A 18 10.126 -1.376 -2.834 1.00 1.00 C ATOM 363 CG GLN A 18 10.290 -1.430 -4.347 1.00 1.00 C ATOM 364 CD GLN A 18 11.684 -1.836 -4.778 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.576 -0.998 -4.933 1.00 1.00 O ATOM 366 NE2 GLN A 18 11.878 -3.124 -4.990 1.00 1.00 N ATOM 0 H GLN A 18 8.619 0.784 -3.202 1.00 1.00 H new ATOM 0 HA GLN A 18 8.117 -2.064 -2.543 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.754 -0.579 -2.436 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.486 -2.310 -2.403 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.568 -2.135 -4.760 1.00 1.00 H new ATOM 0 HG3 GLN A 18 10.056 -0.452 -4.767 1.00 1.00 H new ATOM 0 HE21 GLN A 18 11.114 -3.785 -4.850 1.00 1.00 H new ATOM 0 HE22 GLN A 18 12.792 -3.459 -5.294 1.00 1.00 H new ATOM 375 N PHE A 19 7.919 -1.595 -0.132 1.00 1.00 N ATOM 376 CA PHE A 19 7.721 -1.326 1.288 1.00 1.00 C ATOM 377 C PHE A 19 8.523 -2.298 2.156 1.00 1.00 C ATOM 378 O PHE A 19 9.113 -3.259 1.657 1.00 1.00 O ATOM 379 CB PHE A 19 6.240 -1.455 1.656 1.00 1.00 C ATOM 380 CG PHE A 19 5.304 -0.558 0.889 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.792 -0.954 -0.337 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.913 0.668 1.408 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.911 -0.147 -1.031 1.00 1.00 C ATOM 384 CE2 PHE A 19 4.034 1.481 0.717 1.00 1.00 C ATOM 385 CZ PHE A 19 3.531 1.072 -0.503 1.00 1.00 C ATOM 0 H PHE A 19 7.467 -2.447 -0.465 1.00 1.00 H new ATOM 0 HA PHE A 19 8.067 -0.309 1.475 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.933 -2.489 1.501 1.00 1.00 H new ATOM 0 HB3 PHE A 19 6.128 -1.245 2.720 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.086 -1.906 -0.755 1.00 1.00 H new ATOM 0 HD2 PHE A 19 5.300 0.991 2.363 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.520 -0.469 -1.985 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.741 2.435 1.130 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.842 1.704 -1.043 1.00 1.00 H new ATOM 395 N GLU A 20 8.525 -2.037 3.458 1.00 1.00 N ATOM 396 CA GLU A 20 9.131 -2.931 4.441 1.00 1.00 C ATOM 397 C GLU A 20 8.055 -3.844 5.029 1.00 1.00 C ATOM 398 O GLU A 20 6.893 -3.447 5.127 1.00 1.00 O ATOM 399 CB GLU A 20 9.782 -2.109 5.559 1.00 1.00 C ATOM 400 CG GLU A 20 10.960 -1.263 5.106 1.00 1.00 C ATOM 401 CD GLU A 20 12.242 -2.061 4.993 1.00 1.00 C ATOM 402 OE1 GLU A 20 12.939 -2.214 6.019 1.00 1.00 O ATOM 403 OE2 GLU A 20 12.567 -2.535 3.886 1.00 1.00 O ATOM 0 H GLU A 20 8.107 -1.200 3.863 1.00 1.00 H new ATOM 0 HA GLU A 20 9.895 -3.538 3.956 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.029 -1.456 6.000 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.117 -2.786 6.345 1.00 1.00 H new ATOM 0 HG2 GLU A 20 10.730 -0.814 4.140 1.00 1.00 H new ATOM 0 HG3 GLU A 20 11.107 -0.445 5.811 1.00 1.00 H new ATOM 410 N PRO A 21 8.416 -5.072 5.429 1.00 1.00 N ATOM 411 CA PRO A 21 7.452 -6.040 5.969 1.00 1.00 C ATOM 412 C PRO A 21 6.798 -5.571 7.269 1.00 1.00 C ATOM 413 O PRO A 21 5.601 -5.779 7.481 1.00 1.00 O ATOM 414 CB PRO A 21 8.282 -7.305 6.210 1.00 1.00 C ATOM 415 CG PRO A 21 9.707 -6.861 6.216 1.00 1.00 C ATOM 416 CD PRO A 21 9.782 -5.618 5.372 1.00 1.00 C ATOM 0 HA PRO A 21 6.622 -6.191 5.279 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.014 -7.774 7.157 1.00 1.00 H new ATOM 0 HB3 PRO A 21 8.106 -8.043 5.428 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.044 -6.658 7.233 1.00 1.00 H new ATOM 0 HG3 PRO A 21 10.356 -7.640 5.815 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.512 -4.911 5.765 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.079 -5.847 4.348 1.00 1.00 H new ATOM 424 N SER A 22 7.575 -4.915 8.123 1.00 1.00 N ATOM 425 CA SER A 22 7.076 -4.464 9.416 1.00 1.00 C ATOM 426 C SER A 22 6.401 -3.096 9.316 1.00 1.00 C ATOM 427 O SER A 22 6.159 -2.438 10.329 1.00 1.00 O ATOM 428 CB SER A 22 8.222 -4.406 10.420 1.00 1.00 C ATOM 429 OG SER A 22 8.856 -5.669 10.546 1.00 1.00 O ATOM 0 H SER A 22 8.552 -4.684 7.943 1.00 1.00 H new ATOM 0 HA SER A 22 6.327 -5.180 9.754 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.951 -3.660 10.102 1.00 1.00 H new ATOM 0 HB3 SER A 22 7.843 -4.088 11.391 1.00 1.00 H new ATOM 0 HG SER A 22 9.588 -5.604 11.194 1.00 1.00 H new ATOM 435 N THR A 23 6.089 -2.672 8.100 1.00 1.00 N ATOM 436 CA THR A 23 5.436 -1.391 7.894 1.00 1.00 C ATOM 437 C THR A 23 3.957 -1.471 8.252 1.00 1.00 C ATOM 438 O THR A 23 3.219 -2.298 7.709 1.00 1.00 O ATOM 439 CB THR A 23 5.582 -0.916 6.436 1.00 1.00 C ATOM 440 OG1 THR A 23 6.967 -0.867 6.085 1.00 1.00 O ATOM 441 CG2 THR A 23 4.962 0.459 6.237 1.00 1.00 C ATOM 0 H THR A 23 6.277 -3.195 7.245 1.00 1.00 H new ATOM 0 HA THR A 23 5.926 -0.671 8.549 1.00 1.00 H new ATOM 0 HB THR A 23 5.057 -1.624 5.795 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.110 -0.167 5.414 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.082 0.765 5.198 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.901 0.419 6.483 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.458 1.179 6.887 1.00 1.00 H new ATOM 449 N MET A 24 3.545 -0.630 9.193 1.00 1.00 N ATOM 450 CA MET A 24 2.137 -0.484 9.531 1.00 1.00 C ATOM 451 C MET A 24 1.390 0.057 8.322 1.00 1.00 C ATOM 452 O MET A 24 1.932 0.870 7.575 1.00 1.00 O ATOM 453 CB MET A 24 1.961 0.478 10.709 1.00 1.00 C ATOM 454 CG MET A 24 2.635 0.044 12.005 1.00 1.00 C ATOM 455 SD MET A 24 1.863 -1.399 12.768 1.00 1.00 S ATOM 456 CE MET A 24 2.762 -2.736 11.988 1.00 1.00 C ATOM 0 H MET A 24 4.171 -0.036 9.737 1.00 1.00 H new ATOM 0 HA MET A 24 1.739 -1.458 9.815 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.353 1.454 10.423 1.00 1.00 H new ATOM 0 HB3 MET A 24 0.895 0.606 10.897 1.00 1.00 H new ATOM 0 HG2 MET A 24 3.683 -0.178 11.804 1.00 1.00 H new ATOM 0 HG3 MET A 24 2.615 0.874 12.712 1.00 1.00 H new ATOM 0 HE1 MET A 24 2.058 -3.422 11.516 1.00 1.00 H new ATOM 0 HE2 MET A 24 3.435 -2.330 11.232 1.00 1.00 H new ATOM 0 HE3 MET A 24 3.342 -3.272 12.740 1.00 1.00 H new ATOM 466 N VAL A 25 0.159 -0.382 8.125 1.00 1.00 N ATOM 467 CA VAL A 25 -0.618 0.043 6.968 1.00 1.00 C ATOM 468 C VAL A 25 -0.773 1.564 6.916 1.00 1.00 C ATOM 469 O VAL A 25 -0.650 2.163 5.848 1.00 1.00 O ATOM 470 CB VAL A 25 -1.999 -0.637 6.934 1.00 1.00 C ATOM 471 CG1 VAL A 25 -2.867 -0.062 5.824 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.829 -2.138 6.753 1.00 1.00 C ATOM 0 H VAL A 25 -0.325 -1.030 8.747 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.061 -0.269 6.084 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.502 -0.445 7.882 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.836 -0.561 5.824 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.009 1.006 5.989 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.379 -0.218 4.862 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.809 -2.615 6.730 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.307 -2.335 5.816 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.249 -2.541 7.583 1.00 1.00 H new ATOM 482 N TYR A 26 -1.002 2.200 8.064 1.00 1.00 N ATOM 483 CA TYR A 26 -1.136 3.656 8.089 1.00 1.00 C ATOM 484 C TYR A 26 0.190 4.320 7.729 1.00 1.00 C ATOM 485 O TYR A 26 0.218 5.416 7.175 1.00 1.00 O ATOM 486 CB TYR A 26 -1.641 4.166 9.451 1.00 1.00 C ATOM 487 CG TYR A 26 -0.672 4.000 10.609 1.00 1.00 C ATOM 488 CD1 TYR A 26 0.357 4.910 10.816 1.00 1.00 C ATOM 489 CD2 TYR A 26 -0.799 2.946 11.501 1.00 1.00 C ATOM 490 CE1 TYR A 26 1.232 4.770 11.873 1.00 1.00 C ATOM 491 CE2 TYR A 26 0.074 2.798 12.562 1.00 1.00 C ATOM 492 CZ TYR A 26 1.088 3.712 12.742 1.00 1.00 C ATOM 493 OH TYR A 26 1.959 3.573 13.800 1.00 1.00 O ATOM 0 H TYR A 26 -1.097 1.743 8.971 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.883 3.927 7.343 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.888 5.223 9.355 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.566 3.643 9.695 1.00 1.00 H new ATOM 0 HD1 TYR A 26 0.474 5.742 10.137 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -1.594 2.228 11.364 1.00 1.00 H new ATOM 0 HE1 TYR A 26 2.026 5.487 12.018 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -0.038 1.970 13.246 1.00 1.00 H new ATOM 0 HH TYR A 26 1.720 2.776 14.318 1.00 1.00 H new ATOM 503 N ASP A 27 1.286 3.634 8.026 1.00 1.00 N ATOM 504 CA ASP A 27 2.617 4.159 7.731 1.00 1.00 C ATOM 505 C ASP A 27 2.944 3.932 6.262 1.00 1.00 C ATOM 506 O ASP A 27 3.672 4.705 5.646 1.00 1.00 O ATOM 507 CB ASP A 27 3.680 3.511 8.627 1.00 1.00 C ATOM 508 CG ASP A 27 5.054 4.138 8.446 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.194 5.357 8.689 1.00 1.00 O ATOM 510 OD2 ASP A 27 6.004 3.416 8.077 1.00 1.00 O ATOM 0 H ASP A 27 1.282 2.716 8.470 1.00 1.00 H new ATOM 0 HA ASP A 27 2.621 5.229 7.937 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.377 3.603 9.670 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.738 2.446 8.404 1.00 1.00 H new ATOM 515 N ALA A 28 2.378 2.871 5.701 1.00 1.00 N ATOM 516 CA ALA A 28 2.485 2.612 4.274 1.00 1.00 C ATOM 517 C ALA A 28 1.701 3.661 3.497 1.00 1.00 C ATOM 518 O ALA A 28 2.153 4.153 2.463 1.00 1.00 O ATOM 519 CB ALA A 28 1.988 1.212 3.947 1.00 1.00 C ATOM 0 H ALA A 28 1.839 2.175 6.216 1.00 1.00 H new ATOM 0 HA ALA A 28 3.533 2.673 3.981 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.076 1.036 2.875 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.588 0.478 4.485 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.944 1.117 4.246 1.00 1.00 H new ATOM 525 N CYS A 29 0.524 4.007 4.011 1.00 1.00 N ATOM 526 CA CYS A 29 -0.264 5.101 3.458 1.00 1.00 C ATOM 527 C CYS A 29 0.500 6.414 3.599 1.00 1.00 C ATOM 528 O CYS A 29 0.444 7.286 2.727 1.00 1.00 O ATOM 529 CB CYS A 29 -1.613 5.204 4.176 1.00 1.00 C ATOM 530 SG CYS A 29 -2.676 3.754 3.984 1.00 1.00 S ATOM 0 H CYS A 29 0.095 3.543 4.812 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.445 4.902 2.402 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.433 5.369 5.238 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.143 6.080 3.802 1.00 1.00 H new ATOM 0 HG CYS A 29 -2.186 2.763 4.668 1.00 1.00 H new ATOM 536 N ARG A 30 1.212 6.538 4.713 1.00 1.00 N ATOM 537 CA ARG A 30 2.076 7.681 4.970 1.00 1.00 C ATOM 538 C ARG A 30 3.195 7.747 3.932 1.00 1.00 C ATOM 539 O ARG A 30 3.554 8.820 3.455 1.00 1.00 O ATOM 540 CB ARG A 30 2.652 7.571 6.382 1.00 1.00 C ATOM 541 CG ARG A 30 3.677 8.633 6.728 1.00 1.00 C ATOM 542 CD ARG A 30 4.192 8.447 8.143 1.00 1.00 C ATOM 543 NE ARG A 30 3.140 8.654 9.139 1.00 1.00 N ATOM 544 CZ ARG A 30 3.032 7.960 10.270 1.00 1.00 C ATOM 545 NH1 ARG A 30 3.813 6.907 10.492 1.00 1.00 N ATOM 546 NH2 ARG A 30 2.102 8.294 11.155 1.00 1.00 N ATOM 0 H ARG A 30 1.206 5.847 5.464 1.00 1.00 H new ATOM 0 HA ARG A 30 1.494 8.600 4.894 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.834 7.627 7.100 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.111 6.589 6.498 1.00 1.00 H new ATOM 0 HG2 ARG A 30 4.508 8.585 6.025 1.00 1.00 H new ATOM 0 HG3 ARG A 30 3.230 9.622 6.626 1.00 1.00 H new ATOM 0 HD2 ARG A 30 4.601 7.443 8.251 1.00 1.00 H new ATOM 0 HD3 ARG A 30 5.008 9.146 8.327 1.00 1.00 H new ATOM 0 HE ARG A 30 2.444 9.377 8.955 1.00 1.00 H new ATOM 0 HH11 ARG A 30 4.501 6.626 9.793 1.00 1.00 H new ATOM 0 HH12 ARG A 30 3.724 6.380 11.361 1.00 1.00 H new ATOM 0 HH21 ARG A 30 1.476 9.077 10.966 1.00 1.00 H new ATOM 0 HH22 ARG A 30 2.012 7.768 12.024 1.00 1.00 H new ATOM 560 N MET A 31 3.735 6.591 3.577 1.00 1.00 N ATOM 561 CA MET A 31 4.737 6.516 2.524 1.00 1.00 C ATOM 562 C MET A 31 4.133 6.930 1.188 1.00 1.00 C ATOM 563 O MET A 31 4.707 7.745 0.474 1.00 1.00 O ATOM 564 CB MET A 31 5.322 5.104 2.414 1.00 1.00 C ATOM 565 CG MET A 31 6.172 4.694 3.605 1.00 1.00 C ATOM 566 SD MET A 31 6.913 3.058 3.406 1.00 1.00 S ATOM 567 CE MET A 31 7.922 3.314 1.947 1.00 1.00 C ATOM 0 H MET A 31 3.497 5.694 4.001 1.00 1.00 H new ATOM 0 HA MET A 31 5.544 7.202 2.782 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.505 4.391 2.301 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.927 5.042 1.510 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.962 5.430 3.752 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.557 4.702 4.505 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.705 2.556 1.908 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.299 3.238 1.056 1.00 1.00 H new ATOM 0 HE3 MET A 31 8.377 4.304 1.988 1.00 1.00 H new ATOM 577 N ILE A 32 2.963 6.380 0.874 1.00 1.00 N ATOM 578 CA ILE A 32 2.292 6.653 -0.397 1.00 1.00 C ATOM 579 C ILE A 32 2.117 8.152 -0.648 1.00 1.00 C ATOM 580 O ILE A 32 2.455 8.639 -1.722 1.00 1.00 O ATOM 581 CB ILE A 32 0.917 5.936 -0.487 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.113 4.441 -0.740 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.044 6.551 -1.570 1.00 1.00 C ATOM 584 CD1 ILE A 32 1.840 4.137 -2.030 1.00 1.00 C ATOM 0 H ILE A 32 2.457 5.739 1.485 1.00 1.00 H new ATOM 0 HA ILE A 32 2.943 6.254 -1.175 1.00 1.00 H new ATOM 0 HB ILE A 32 0.406 6.066 0.467 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.670 4.010 0.092 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.139 3.953 -0.758 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.911 6.027 -1.608 1.00 1.00 H new ATOM 0 HG22 ILE A 32 -0.128 7.604 -1.345 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.545 6.463 -2.534 1.00 1.00 H new ATOM 0 HD11 ILE A 32 1.943 3.058 -2.144 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.273 4.538 -2.870 1.00 1.00 H new ATOM 0 HD13 ILE A 32 2.829 4.596 -2.007 1.00 1.00 H new ATOM 596 N ARG A 33 1.619 8.878 0.346 1.00 1.00 N ATOM 597 CA ARG A 33 1.347 10.305 0.184 1.00 1.00 C ATOM 598 C ARG A 33 2.634 11.093 -0.091 1.00 1.00 C ATOM 599 O ARG A 33 2.659 11.985 -0.933 1.00 1.00 O ATOM 600 CB ARG A 33 0.656 10.865 1.436 1.00 1.00 C ATOM 601 CG ARG A 33 1.524 10.789 2.678 1.00 1.00 C ATOM 602 CD ARG A 33 0.948 11.555 3.852 1.00 1.00 C ATOM 603 NE ARG A 33 1.904 11.612 4.958 1.00 1.00 N ATOM 604 CZ ARG A 33 1.609 11.991 6.198 1.00 1.00 C ATOM 605 NH1 ARG A 33 0.380 12.386 6.512 1.00 1.00 N ATOM 606 NH2 ARG A 33 2.564 11.989 7.119 1.00 1.00 N ATOM 0 H ARG A 33 1.396 8.506 1.269 1.00 1.00 H new ATOM 0 HA ARG A 33 0.685 10.418 -0.675 1.00 1.00 H new ATOM 0 HB2 ARG A 33 0.378 11.904 1.257 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.268 10.314 1.611 1.00 1.00 H new ATOM 0 HG2 ARG A 33 1.653 9.744 2.961 1.00 1.00 H new ATOM 0 HG3 ARG A 33 2.514 11.181 2.447 1.00 1.00 H new ATOM 0 HD2 ARG A 33 0.687 12.566 3.539 1.00 1.00 H new ATOM 0 HD3 ARG A 33 0.027 11.077 4.186 1.00 1.00 H new ATOM 0 HE ARG A 33 2.868 11.341 4.764 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -0.349 12.401 5.799 1.00 1.00 H new ATOM 0 HH12 ARG A 33 0.165 12.675 7.466 1.00 1.00 H new ATOM 0 HH21 ARG A 33 3.510 11.699 6.872 1.00 1.00 H new ATOM 0 HH22 ARG A 33 2.352 12.277 8.074 1.00 1.00 H new ATOM 620 N GLU A 34 3.695 10.764 0.635 1.00 1.00 N ATOM 621 CA GLU A 34 4.938 11.521 0.566 1.00 1.00 C ATOM 622 C GLU A 34 5.814 11.083 -0.608 1.00 1.00 C ATOM 623 O GLU A 34 6.641 11.853 -1.097 1.00 1.00 O ATOM 624 CB GLU A 34 5.673 11.410 1.903 1.00 1.00 C ATOM 625 CG GLU A 34 4.903 12.079 3.033 1.00 1.00 C ATOM 626 CD GLU A 34 5.468 11.803 4.410 1.00 1.00 C ATOM 627 OE1 GLU A 34 6.638 12.153 4.660 1.00 1.00 O ATOM 628 OE2 GLU A 34 4.733 11.247 5.254 1.00 1.00 O ATOM 0 H GLU A 34 3.719 9.975 1.281 1.00 1.00 H new ATOM 0 HA GLU A 34 4.699 12.569 0.383 1.00 1.00 H new ATOM 0 HB2 GLU A 34 5.831 10.359 2.144 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.658 11.868 1.814 1.00 1.00 H new ATOM 0 HG2 GLU A 34 4.893 13.156 2.865 1.00 1.00 H new ATOM 0 HG3 GLU A 34 3.867 11.742 3.002 1.00 1.00 H new ATOM 635 N ARG A 35 5.628 9.850 -1.063 1.00 1.00 N ATOM 636 CA ARG A 35 6.366 9.344 -2.216 1.00 1.00 C ATOM 637 C ARG A 35 5.639 9.695 -3.510 1.00 1.00 C ATOM 638 O ARG A 35 6.265 9.960 -4.536 1.00 1.00 O ATOM 639 CB ARG A 35 6.553 7.829 -2.119 1.00 1.00 C ATOM 640 CG ARG A 35 7.425 7.377 -0.954 1.00 1.00 C ATOM 641 CD ARG A 35 8.913 7.477 -1.267 1.00 1.00 C ATOM 642 NE ARG A 35 9.362 8.854 -1.463 1.00 1.00 N ATOM 643 CZ ARG A 35 10.469 9.357 -0.924 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.229 8.611 -0.131 1.00 1.00 N ATOM 645 NH2 ARG A 35 10.816 10.608 -1.183 1.00 1.00 N ATOM 0 H ARG A 35 4.974 9.183 -0.653 1.00 1.00 H new ATOM 0 HA ARG A 35 7.348 9.816 -2.222 1.00 1.00 H new ATOM 0 HB2 ARG A 35 5.574 7.359 -2.028 1.00 1.00 H new ATOM 0 HB3 ARG A 35 6.994 7.469 -3.049 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.199 7.985 -0.078 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.179 6.346 -0.698 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.481 7.027 -0.453 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.130 6.898 -2.165 1.00 1.00 H new ATOM 0 HE ARG A 35 8.793 9.466 -2.048 1.00 1.00 H new ATOM 0 HH11 ARG A 35 10.965 7.646 0.068 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.077 9.003 0.279 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.235 11.182 -1.794 1.00 1.00 H new ATOM 0 HH22 ARG A 35 11.664 10.998 -0.772 1.00 1.00 H new ATOM 659 N ILE A 36 4.316 9.688 -3.450 1.00 1.00 N ATOM 660 CA ILE A 36 3.485 10.028 -4.595 1.00 1.00 C ATOM 661 C ILE A 36 2.510 11.136 -4.208 1.00 1.00 C ATOM 662 O ILE A 36 1.657 10.942 -3.343 1.00 1.00 O ATOM 663 CB ILE A 36 2.691 8.800 -5.098 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.639 7.631 -5.386 1.00 1.00 C ATOM 665 CG2 ILE A 36 1.892 9.155 -6.346 1.00 1.00 C ATOM 666 CD1 ILE A 36 2.930 6.349 -5.769 1.00 1.00 C ATOM 0 H ILE A 36 3.790 9.448 -2.610 1.00 1.00 H new ATOM 0 HA ILE A 36 4.138 10.367 -5.399 1.00 1.00 H new ATOM 0 HB ILE A 36 1.994 8.497 -4.316 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.317 7.915 -6.191 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.252 7.447 -4.504 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.340 8.279 -6.686 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.192 9.958 -6.114 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.572 9.483 -7.132 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.667 5.568 -5.957 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.273 6.040 -4.956 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.339 6.515 -6.670 1.00 1.00 H new ATOM 678 N PRO A 37 2.583 12.296 -4.876 1.00 1.00 N ATOM 679 CA PRO A 37 1.820 13.490 -4.481 1.00 1.00 C ATOM 680 C PRO A 37 0.338 13.322 -4.753 1.00 1.00 C ATOM 681 O PRO A 37 -0.493 14.080 -4.250 1.00 1.00 O ATOM 682 CB PRO A 37 2.390 14.564 -5.400 1.00 1.00 C ATOM 683 CG PRO A 37 2.706 13.797 -6.628 1.00 1.00 C ATOM 684 CD PRO A 37 3.353 12.542 -6.111 1.00 1.00 C ATOM 0 HA PRO A 37 1.906 13.711 -3.417 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.669 15.359 -5.592 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.277 15.034 -4.975 1.00 1.00 H new ATOM 0 HG2 PRO A 37 1.807 13.576 -7.204 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.377 14.352 -7.284 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.268 11.717 -6.818 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.415 12.682 -5.910 1.00 1.00 H new ATOM 692 N GLU A 38 0.017 12.314 -5.555 1.00 1.00 N ATOM 693 CA GLU A 38 -1.346 12.095 -5.983 1.00 1.00 C ATOM 694 C GLU A 38 -2.234 11.752 -4.791 1.00 1.00 C ATOM 695 O GLU A 38 -3.434 12.031 -4.792 1.00 1.00 O ATOM 696 CB GLU A 38 -1.425 10.976 -7.021 1.00 1.00 C ATOM 697 CG GLU A 38 -0.583 11.231 -8.257 1.00 1.00 C ATOM 698 CD GLU A 38 -0.913 12.542 -8.943 1.00 1.00 C ATOM 699 OE1 GLU A 38 -2.097 12.945 -8.945 1.00 1.00 O ATOM 700 OE2 GLU A 38 0.019 13.176 -9.480 1.00 1.00 O ATOM 0 H GLU A 38 0.688 11.638 -5.919 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.701 13.019 -6.440 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -1.105 10.042 -6.560 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -2.464 10.843 -7.321 1.00 1.00 H new ATOM 0 HG2 GLU A 38 0.471 11.229 -7.978 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -0.727 10.413 -8.962 1.00 1.00 H new ATOM 707 N ALA A 39 -1.625 11.141 -3.776 1.00 1.00 N ATOM 708 CA ALA A 39 -2.346 10.722 -2.583 1.00 1.00 C ATOM 709 C ALA A 39 -2.452 11.846 -1.556 1.00 1.00 C ATOM 710 O ALA A 39 -3.156 11.714 -0.554 1.00 1.00 O ATOM 711 CB ALA A 39 -1.658 9.519 -1.969 1.00 1.00 C ATOM 0 H ALA A 39 -0.628 10.926 -3.760 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.360 10.456 -2.881 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.199 9.207 -1.076 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.644 8.701 -2.689 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.635 9.783 -1.700 1.00 1.00 H new ATOM 717 N LEU A 40 -1.752 12.946 -1.798 1.00 1.00 N ATOM 718 CA LEU A 40 -1.789 14.082 -0.887 1.00 1.00 C ATOM 719 C LEU A 40 -3.067 14.885 -1.080 1.00 1.00 C ATOM 720 O LEU A 40 -3.080 15.911 -1.761 1.00 1.00 O ATOM 721 CB LEU A 40 -0.560 14.975 -1.078 1.00 1.00 C ATOM 722 CG LEU A 40 0.731 14.434 -0.461 1.00 1.00 C ATOM 723 CD1 LEU A 40 1.931 15.229 -0.946 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.649 14.480 1.057 1.00 1.00 C ATOM 0 H LEU A 40 -1.154 13.076 -2.614 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.775 13.697 0.133 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.400 15.125 -2.146 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -0.769 15.954 -0.646 1.00 1.00 H new ATOM 0 HG LEU A 40 0.854 13.398 -0.776 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.839 14.828 -0.496 1.00 1.00 H new ATOM 0 HD12 LEU A 40 2.001 15.156 -2.031 1.00 1.00 H new ATOM 0 HD13 LEU A 40 1.815 16.274 -0.660 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.574 14.092 1.483 1.00 1.00 H new ATOM 0 HD22 LEU A 40 0.503 15.510 1.382 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.189 13.871 1.395 1.00 1.00 H new ATOM 736 N ALA A 41 -4.146 14.386 -0.500 1.00 1.00 N ATOM 737 CA ALA A 41 -5.439 15.041 -0.585 1.00 1.00 C ATOM 738 C ALA A 41 -6.215 14.849 0.711 1.00 1.00 C ATOM 739 O ALA A 41 -7.438 14.987 0.743 1.00 1.00 O ATOM 740 CB ALA A 41 -6.229 14.491 -1.765 1.00 1.00 C ATOM 0 H ALA A 41 -4.150 13.521 0.040 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.282 16.109 -0.738 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.197 14.989 -1.819 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.677 14.670 -2.688 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.380 13.419 -1.634 1.00 1.00 H new ATOM 746 N GLY A 42 -5.495 14.544 1.780 1.00 1.00 N ATOM 747 CA GLY A 42 -6.131 14.295 3.056 1.00 1.00 C ATOM 748 C GLY A 42 -5.282 13.420 3.953 1.00 1.00 C ATOM 749 O GLY A 42 -4.167 13.048 3.581 1.00 1.00 O ATOM 0 H GLY A 42 -4.478 14.464 1.786 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.326 15.244 3.555 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.097 13.817 2.892 1.00 1.00 H new ATOM 753 N PRO A 43 -5.781 13.077 5.147 1.00 1.00 N ATOM 754 CA PRO A 43 -5.046 12.255 6.105 1.00 1.00 C ATOM 755 C PRO A 43 -5.069 10.783 5.757 1.00 1.00 C ATOM 756 O PRO A 43 -6.054 10.266 5.224 1.00 1.00 O ATOM 757 CB PRO A 43 -5.770 12.526 7.421 1.00 1.00 C ATOM 758 CG PRO A 43 -7.175 12.827 7.024 1.00 1.00 C ATOM 759 CD PRO A 43 -7.109 13.468 5.660 1.00 1.00 C ATOM 0 HA PRO A 43 -3.985 12.504 6.130 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -5.722 11.663 8.085 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -5.321 13.364 7.955 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -7.773 11.916 6.996 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -7.646 13.496 7.744 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -7.909 13.110 5.012 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -7.210 14.552 5.723 1.00 1.00 H new ATOM 767 N PRO A 44 -3.975 10.084 6.083 1.00 1.00 N ATOM 768 CA PRO A 44 -3.767 8.716 5.647 1.00 1.00 C ATOM 769 C PRO A 44 -4.754 7.735 6.275 1.00 1.00 C ATOM 770 O PRO A 44 -4.868 6.591 5.839 1.00 1.00 O ATOM 771 CB PRO A 44 -2.332 8.388 6.088 1.00 1.00 C ATOM 772 CG PRO A 44 -1.717 9.698 6.450 1.00 1.00 C ATOM 773 CD PRO A 44 -2.850 10.577 6.890 1.00 1.00 C ATOM 0 HA PRO A 44 -3.922 8.622 4.572 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -2.329 7.705 6.937 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -1.776 7.902 5.286 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -0.983 9.578 7.247 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.194 10.132 5.598 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -3.045 10.481 7.958 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -2.644 11.630 6.697 1.00 1.00 H new ATOM 781 N ASN A 45 -5.461 8.188 7.304 1.00 1.00 N ATOM 782 CA ASN A 45 -6.440 7.351 7.985 1.00 1.00 C ATOM 783 C ASN A 45 -7.831 7.541 7.397 1.00 1.00 C ATOM 784 O ASN A 45 -8.755 6.796 7.724 1.00 1.00 O ATOM 785 CB ASN A 45 -6.462 7.649 9.485 1.00 1.00 C ATOM 786 CG ASN A 45 -5.209 7.164 10.187 1.00 1.00 C ATOM 787 OD1 ASN A 45 -4.212 7.881 10.267 1.00 1.00 O ATOM 788 ND2 ASN A 45 -5.253 5.945 10.703 1.00 1.00 N ATOM 0 H ASN A 45 -5.374 9.130 7.685 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.142 6.313 7.838 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -6.569 8.723 9.638 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -7.334 7.175 9.935 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -4.440 5.567 11.189 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -6.100 5.384 10.614 1.00 1.00 H new ATOM 795 N ASP A 46 -7.982 8.536 6.533 1.00 1.00 N ATOM 796 CA ASP A 46 -9.240 8.749 5.839 1.00 1.00 C ATOM 797 C ASP A 46 -9.233 7.928 4.565 1.00 1.00 C ATOM 798 O ASP A 46 -10.255 7.386 4.135 1.00 1.00 O ATOM 799 CB ASP A 46 -9.435 10.229 5.519 1.00 1.00 C ATOM 800 CG ASP A 46 -10.733 10.486 4.793 1.00 1.00 C ATOM 801 OD1 ASP A 46 -11.796 10.484 5.451 1.00 1.00 O ATOM 802 OD2 ASP A 46 -10.703 10.682 3.567 1.00 1.00 O ATOM 0 H ASP A 46 -7.249 9.206 6.298 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.067 8.436 6.476 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.417 10.805 6.444 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -8.603 10.580 4.909 1.00 1.00 H new ATOM 807 N PHE A 47 -8.055 7.843 3.975 1.00 1.00 N ATOM 808 CA PHE A 47 -7.807 6.934 2.877 1.00 1.00 C ATOM 809 C PHE A 47 -7.347 5.600 3.452 1.00 1.00 C ATOM 810 O PHE A 47 -7.373 5.403 4.669 1.00 1.00 O ATOM 811 CB PHE A 47 -6.733 7.501 1.943 1.00 1.00 C ATOM 812 CG PHE A 47 -7.074 8.843 1.354 1.00 1.00 C ATOM 813 CD1 PHE A 47 -6.816 10.011 2.056 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.644 8.937 0.096 1.00 1.00 C ATOM 815 CE1 PHE A 47 -7.125 11.243 1.515 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.954 10.167 -0.450 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.694 11.322 0.260 1.00 1.00 C ATOM 0 H PHE A 47 -7.246 8.402 4.245 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.721 6.799 2.298 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.796 7.586 2.494 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.563 6.793 1.132 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -6.368 9.956 3.037 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -7.849 8.037 -0.465 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -6.922 12.145 2.074 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -8.400 10.225 -1.432 1.00 1.00 H new ATOM 0 HZ PHE A 47 -7.935 12.285 -0.165 1.00 1.00 H new ATOM 827 N GLY A 48 -6.943 4.686 2.597 1.00 1.00 N ATOM 828 CA GLY A 48 -6.424 3.428 3.074 1.00 1.00 C ATOM 829 C GLY A 48 -5.939 2.546 1.952 1.00 1.00 C ATOM 830 O GLY A 48 -6.106 2.874 0.774 1.00 1.00 O ATOM 0 H GLY A 48 -6.964 4.789 1.582 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.603 3.615 3.766 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.200 2.906 3.634 1.00 1.00 H new ATOM 834 N LEU A 49 -5.334 1.431 2.317 1.00 1.00 N ATOM 835 CA LEU A 49 -4.868 0.469 1.341 1.00 1.00 C ATOM 836 C LEU A 49 -5.925 -0.596 1.116 1.00 1.00 C ATOM 837 O LEU A 49 -6.469 -1.164 2.066 1.00 1.00 O ATOM 838 CB LEU A 49 -3.557 -0.171 1.796 1.00 1.00 C ATOM 839 CG LEU A 49 -2.365 0.783 1.880 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.138 0.049 2.389 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.084 1.408 0.522 1.00 1.00 C ATOM 0 H LEU A 49 -5.154 1.170 3.287 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.685 0.989 0.401 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.712 -0.622 2.776 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.308 -0.980 1.109 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.610 1.581 2.581 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.297 0.740 2.444 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.341 -0.355 3.381 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -0.893 -0.767 1.708 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.233 2.084 0.602 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.858 0.623 -0.200 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.960 1.965 0.190 1.00 1.00 H new ATOM 853 N PHE A 50 -6.220 -0.849 -0.142 1.00 1.00 N ATOM 854 CA PHE A 50 -7.220 -1.829 -0.517 1.00 1.00 C ATOM 855 C PHE A 50 -6.577 -2.907 -1.373 1.00 1.00 C ATOM 856 O PHE A 50 -6.175 -2.649 -2.506 1.00 1.00 O ATOM 857 CB PHE A 50 -8.361 -1.137 -1.272 1.00 1.00 C ATOM 858 CG PHE A 50 -9.417 -2.068 -1.794 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.374 -2.599 -0.947 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.455 -2.404 -3.138 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.349 -3.450 -1.429 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.425 -3.255 -3.626 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.374 -3.779 -2.770 1.00 1.00 C ATOM 0 H PHE A 50 -5.775 -0.383 -0.932 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.633 -2.297 0.376 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.831 -0.411 -0.609 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.940 -0.579 -2.109 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.358 -2.345 0.103 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.716 -1.995 -3.811 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.091 -3.858 -0.758 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.442 -3.511 -4.675 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.135 -4.445 -3.149 1.00 1.00 H new ATOM 873 N LEU A 51 -6.450 -4.102 -0.820 1.00 1.00 N ATOM 874 CA LEU A 51 -5.851 -5.210 -1.544 1.00 1.00 C ATOM 875 C LEU A 51 -6.768 -5.624 -2.683 1.00 1.00 C ATOM 876 O LEU A 51 -7.838 -6.182 -2.454 1.00 1.00 O ATOM 877 CB LEU A 51 -5.592 -6.391 -0.602 1.00 1.00 C ATOM 878 CG LEU A 51 -4.976 -7.630 -1.259 1.00 1.00 C ATOM 879 CD1 LEU A 51 -3.656 -7.285 -1.933 1.00 1.00 C ATOM 880 CD2 LEU A 51 -4.776 -8.728 -0.227 1.00 1.00 C ATOM 0 H LEU A 51 -6.753 -4.329 0.127 1.00 1.00 H new ATOM 0 HA LEU A 51 -4.893 -4.893 -1.955 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -4.931 -6.058 0.198 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.536 -6.678 -0.138 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.663 -7.991 -2.024 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.237 -8.180 -2.393 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -3.826 -6.529 -2.700 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -2.958 -6.898 -1.190 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.338 -9.603 -0.707 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.109 -8.372 0.558 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.738 -8.997 0.209 1.00 1.00 H new ATOM 892 N SER A 52 -6.355 -5.326 -3.904 1.00 1.00 N ATOM 893 CA SER A 52 -7.208 -5.533 -5.059 1.00 1.00 C ATOM 894 C SER A 52 -7.078 -6.948 -5.606 1.00 1.00 C ATOM 895 O SER A 52 -6.011 -7.563 -5.541 1.00 1.00 O ATOM 896 CB SER A 52 -6.875 -4.514 -6.149 1.00 1.00 C ATOM 897 OG SER A 52 -5.517 -4.609 -6.549 1.00 1.00 O ATOM 0 H SER A 52 -5.435 -4.941 -4.119 1.00 1.00 H new ATOM 0 HA SER A 52 -8.241 -5.394 -4.739 1.00 1.00 H new ATOM 0 HB2 SER A 52 -7.522 -4.677 -7.011 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.079 -3.508 -5.783 1.00 1.00 H new ATOM 0 HG SER A 52 -4.982 -4.964 -5.809 1.00 1.00 H new ATOM 903 N ASP A 53 -8.179 -7.451 -6.131 1.00 1.00 N ATOM 904 CA ASP A 53 -8.220 -8.744 -6.790 1.00 1.00 C ATOM 905 C ASP A 53 -9.322 -8.697 -7.839 1.00 1.00 C ATOM 906 O ASP A 53 -10.172 -7.805 -7.794 1.00 1.00 O ATOM 907 CB ASP A 53 -8.490 -9.858 -5.767 1.00 1.00 C ATOM 908 CG ASP A 53 -8.341 -11.255 -6.346 1.00 1.00 C ATOM 909 OD1 ASP A 53 -9.301 -11.761 -6.957 1.00 1.00 O ATOM 910 OD2 ASP A 53 -7.259 -11.861 -6.186 1.00 1.00 O ATOM 0 H ASP A 53 -9.078 -6.970 -6.112 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.262 -8.960 -7.263 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -7.804 -9.745 -4.928 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -9.499 -9.742 -5.372 1.00 1.00 H new ATOM 915 N ASP A 54 -9.315 -9.619 -8.789 1.00 1.00 N ATOM 916 CA ASP A 54 -10.363 -9.649 -9.801 1.00 1.00 C ATOM 917 C ASP A 54 -11.686 -10.059 -9.168 1.00 1.00 C ATOM 918 O ASP A 54 -12.758 -9.774 -9.702 1.00 1.00 O ATOM 919 CB ASP A 54 -10.005 -10.582 -10.963 1.00 1.00 C ATOM 920 CG ASP A 54 -9.820 -12.023 -10.540 1.00 1.00 C ATOM 921 OD1 ASP A 54 -8.680 -12.401 -10.198 1.00 1.00 O ATOM 922 OD2 ASP A 54 -10.803 -12.791 -10.569 1.00 1.00 O ATOM 0 H ASP A 54 -8.607 -10.347 -8.882 1.00 1.00 H new ATOM 0 HA ASP A 54 -10.461 -8.645 -10.213 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.791 -10.530 -11.717 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -9.088 -10.228 -11.434 1.00 1.00 H new ATOM 927 N ASP A 55 -11.606 -10.712 -8.019 1.00 1.00 N ATOM 928 CA ASP A 55 -12.791 -11.048 -7.246 1.00 1.00 C ATOM 929 C ASP A 55 -13.001 -10.017 -6.142 1.00 1.00 C ATOM 930 O ASP A 55 -12.119 -9.794 -5.311 1.00 1.00 O ATOM 931 CB ASP A 55 -12.668 -12.448 -6.647 1.00 1.00 C ATOM 932 CG ASP A 55 -13.843 -12.791 -5.759 1.00 1.00 C ATOM 933 OD1 ASP A 55 -14.916 -13.151 -6.290 1.00 1.00 O ATOM 934 OD2 ASP A 55 -13.698 -12.707 -4.525 1.00 1.00 O ATOM 0 H ASP A 55 -10.729 -11.021 -7.600 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.654 -11.037 -7.912 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -12.595 -13.181 -7.451 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -11.746 -12.515 -6.070 1.00 1.00 H new ATOM 939 N PRO A 56 -14.175 -9.371 -6.121 1.00 1.00 N ATOM 940 CA PRO A 56 -14.471 -8.286 -5.176 1.00 1.00 C ATOM 941 C PRO A 56 -14.517 -8.742 -3.715 1.00 1.00 C ATOM 942 O PRO A 56 -14.490 -7.915 -2.803 1.00 1.00 O ATOM 943 CB PRO A 56 -15.850 -7.788 -5.619 1.00 1.00 C ATOM 944 CG PRO A 56 -16.451 -8.926 -6.368 1.00 1.00 C ATOM 945 CD PRO A 56 -15.305 -9.638 -7.027 1.00 1.00 C ATOM 0 HA PRO A 56 -13.691 -7.525 -5.199 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -16.464 -7.512 -4.761 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -15.766 -6.902 -6.249 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -16.991 -9.594 -5.696 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -17.168 -8.571 -7.109 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.498 -10.706 -7.125 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -15.116 -9.255 -8.030 1.00 1.00 H new ATOM 953 N LYS A 57 -14.585 -10.048 -3.491 1.00 1.00 N ATOM 954 CA LYS A 57 -14.627 -10.581 -2.135 1.00 1.00 C ATOM 955 C LYS A 57 -13.212 -10.789 -1.609 1.00 1.00 C ATOM 956 O LYS A 57 -12.975 -10.762 -0.399 1.00 1.00 O ATOM 957 CB LYS A 57 -15.416 -11.891 -2.097 1.00 1.00 C ATOM 958 CG LYS A 57 -16.846 -11.746 -2.593 1.00 1.00 C ATOM 959 CD LYS A 57 -17.659 -10.827 -1.696 1.00 1.00 C ATOM 960 CE LYS A 57 -19.023 -10.522 -2.291 1.00 1.00 C ATOM 961 NZ LYS A 57 -19.825 -11.753 -2.518 1.00 1.00 N ATOM 0 H LYS A 57 -14.612 -10.755 -4.226 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.134 -9.861 -1.492 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -14.901 -12.635 -2.705 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -15.430 -12.269 -1.075 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -16.841 -11.352 -3.609 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -17.319 -12.727 -2.634 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -17.784 -11.291 -0.718 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -17.114 -9.896 -1.539 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -19.567 -9.854 -1.624 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -18.895 -9.994 -3.236 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -20.777 -11.492 -2.845 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -19.361 -12.342 -3.239 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -19.899 -12.288 -1.629 1.00 1.00 H new ATOM 975 N LYS A 58 -12.276 -10.988 -2.528 1.00 1.00 N ATOM 976 CA LYS A 58 -10.865 -11.071 -2.178 1.00 1.00 C ATOM 977 C LYS A 58 -10.308 -9.680 -1.912 1.00 1.00 C ATOM 978 O LYS A 58 -9.294 -9.524 -1.226 1.00 1.00 O ATOM 979 CB LYS A 58 -10.069 -11.747 -3.295 1.00 1.00 C ATOM 980 CG LYS A 58 -10.337 -13.235 -3.429 1.00 1.00 C ATOM 981 CD LYS A 58 -9.930 -13.982 -2.171 1.00 1.00 C ATOM 982 CE LYS A 58 -10.039 -15.486 -2.355 1.00 1.00 C ATOM 983 NZ LYS A 58 -9.631 -16.220 -1.130 1.00 1.00 N ATOM 0 H LYS A 58 -12.470 -11.095 -3.524 1.00 1.00 H new ATOM 0 HA LYS A 58 -10.771 -11.672 -1.274 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -10.304 -11.259 -4.241 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -9.005 -11.595 -3.113 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -11.396 -13.400 -3.626 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -9.788 -13.631 -4.284 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -8.905 -13.720 -1.907 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -10.563 -13.669 -1.340 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -11.066 -15.748 -2.611 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -9.413 -15.797 -3.191 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -9.718 -17.243 -1.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -8.643 -15.989 -0.900 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -10.245 -15.942 -0.338 1.00 1.00 H new ATOM 997 N GLY A 59 -10.975 -8.676 -2.471 1.00 1.00 N ATOM 998 CA GLY A 59 -10.598 -7.301 -2.230 1.00 1.00 C ATOM 999 C GLY A 59 -10.924 -6.876 -0.815 1.00 1.00 C ATOM 1000 O GLY A 59 -12.097 -6.769 -0.447 1.00 1.00 O ATOM 0 H GLY A 59 -11.776 -8.795 -3.091 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.530 -7.179 -2.411 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -11.117 -6.651 -2.935 1.00 1.00 H new ATOM 1004 N ILE A 60 -9.896 -6.638 -0.017 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.081 -6.317 1.392 1.00 1.00 C ATOM 1006 C ILE A 60 -9.314 -5.059 1.784 1.00 1.00 C ATOM 1007 O ILE A 60 -8.322 -4.697 1.147 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.634 -7.483 2.304 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.191 -7.893 1.984 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.579 -8.669 2.155 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.655 -8.996 2.873 1.00 1.00 C ATOM 0 H ILE A 60 -8.922 -6.661 -0.320 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.148 -6.144 1.532 1.00 1.00 H new ATOM 0 HB ILE A 60 -9.670 -7.146 3.340 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.138 -8.219 0.945 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.546 -7.019 2.077 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.250 -9.481 2.804 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.588 -8.367 2.435 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.576 -9.009 1.119 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.630 -9.230 2.585 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -7.674 -8.667 3.912 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.275 -9.886 2.763 1.00 1.00 H new ATOM 1023 N TRP A 61 -9.785 -4.399 2.830 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.131 -3.212 3.356 1.00 1.00 C ATOM 1025 C TRP A 61 -8.083 -3.594 4.388 1.00 1.00 C ATOM 1026 O TRP A 61 -8.334 -4.424 5.265 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.152 -2.271 3.994 1.00 1.00 C ATOM 1028 CG TRP A 61 -10.954 -1.495 3.006 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.192 -1.808 2.542 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.575 -0.276 2.364 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.614 -0.855 1.647 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.637 0.098 1.521 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.442 0.537 2.423 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.596 1.252 0.744 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.404 1.678 1.649 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.471 2.025 0.824 1.00 1.00 C ATOM 0 H TRP A 61 -10.628 -4.670 3.336 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.646 -2.700 2.524 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -10.828 -2.854 4.619 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.630 -1.575 4.651 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -12.761 -2.678 2.834 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.508 -0.856 1.156 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.611 0.278 3.062 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.421 1.526 0.103 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.531 2.314 1.683 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.408 2.927 0.233 1.00 1.00 H new ATOM 1047 N LEU A 62 -6.910 -2.998 4.272 1.00 1.00 N ATOM 1048 CA LEU A 62 -5.851 -3.215 5.234 1.00 1.00 C ATOM 1049 C LEU A 62 -6.022 -2.290 6.433 1.00 1.00 C ATOM 1050 O LEU A 62 -6.175 -1.074 6.282 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.479 -2.999 4.586 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.058 -4.058 3.562 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -4.772 -3.867 2.232 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -2.550 -4.034 3.369 1.00 1.00 C ATOM 0 H LEU A 62 -6.669 -2.357 3.516 1.00 1.00 H new ATOM 0 HA LEU A 62 -5.910 -4.247 5.580 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.477 -2.025 4.097 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -3.727 -2.961 5.374 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.348 -5.034 3.952 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.448 -4.636 1.531 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -5.849 -3.944 2.383 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.532 -2.884 1.828 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.265 -4.791 2.639 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.245 -3.051 3.010 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.058 -4.242 4.319 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.023 -2.877 7.620 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.157 -2.121 8.855 1.00 1.00 C ATOM 1068 C GLU A 63 -4.879 -1.359 9.169 1.00 1.00 C ATOM 1069 O GLU A 63 -3.785 -1.906 9.073 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.473 -3.049 10.019 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.848 -3.682 9.966 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.088 -4.586 11.154 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.818 -4.154 12.296 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.521 -5.739 10.954 1.00 1.00 O ATOM 0 H GLU A 63 -5.932 -3.884 7.754 1.00 1.00 H new ATOM 0 HA GLU A 63 -6.974 -1.413 8.717 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.724 -3.840 10.049 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.381 -2.488 10.949 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.608 -2.901 9.942 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.951 -4.255 9.045 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.036 -0.108 9.580 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.908 0.757 9.911 1.00 1.00 C ATOM 1083 C ALA A 64 -3.008 0.128 10.970 1.00 1.00 C ATOM 1084 O ALA A 64 -1.785 0.249 10.900 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.423 2.104 10.393 1.00 1.00 C ATOM 0 H ALA A 64 -5.947 0.337 9.694 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.309 0.894 9.011 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.580 2.749 10.640 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.017 2.569 9.606 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.042 1.961 11.279 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.613 -0.572 11.924 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.855 -1.129 13.028 1.00 1.00 C ATOM 1093 C GLY A 65 -2.278 -2.493 12.710 1.00 1.00 C ATOM 1094 O GLY A 65 -1.869 -3.229 13.609 1.00 1.00 O ATOM 0 H GLY A 65 -4.615 -0.763 11.952 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.045 -0.448 13.288 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.499 -1.207 13.904 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.259 -2.839 11.434 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.702 -4.105 10.991 1.00 1.00 C ATOM 1100 C LYS A 66 -0.486 -3.848 10.115 1.00 1.00 C ATOM 1101 O LYS A 66 -0.329 -2.756 9.565 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.746 -4.905 10.206 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.030 -5.175 10.977 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.828 -6.180 12.098 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.114 -6.396 12.883 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.527 -5.187 13.644 1.00 1.00 N ATOM 0 H LYS A 66 -2.626 -2.256 10.682 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.406 -4.684 11.866 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -2.991 -4.364 9.292 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.308 -5.857 9.906 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.405 -4.240 11.393 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.792 -5.547 10.292 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.489 -7.129 11.682 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.044 -5.828 12.769 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -5.912 -6.679 12.196 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -4.978 -7.228 13.574 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -5.760 -5.455 14.622 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -4.748 -4.498 13.650 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -6.362 -4.762 13.193 1.00 1.00 H new ATOM 1120 N ALA A 67 0.375 -4.842 10.003 1.00 1.00 N ATOM 1121 CA ALA A 67 1.538 -4.747 9.139 1.00 1.00 C ATOM 1122 C ALA A 67 1.190 -5.218 7.735 1.00 1.00 C ATOM 1123 O ALA A 67 0.193 -5.908 7.534 1.00 1.00 O ATOM 1124 CB ALA A 67 2.689 -5.569 9.703 1.00 1.00 C ATOM 0 H ALA A 67 0.291 -5.728 10.501 1.00 1.00 H new ATOM 0 HA ALA A 67 1.850 -3.704 9.090 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.553 -5.487 9.043 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.952 -5.196 10.693 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.388 -6.614 9.777 1.00 1.00 H new ATOM 1130 N LEU A 68 2.009 -4.847 6.767 1.00 1.00 N ATOM 1131 CA LEU A 68 1.813 -5.295 5.395 1.00 1.00 C ATOM 1132 C LEU A 68 2.041 -6.800 5.292 1.00 1.00 C ATOM 1133 O LEU A 68 1.413 -7.489 4.485 1.00 1.00 O ATOM 1134 CB LEU A 68 2.756 -4.541 4.459 1.00 1.00 C ATOM 1135 CG LEU A 68 2.557 -3.025 4.443 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.556 -2.369 3.512 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.136 -2.674 4.027 1.00 1.00 C ATOM 0 H LEU A 68 2.816 -4.238 6.903 1.00 1.00 H new ATOM 0 HA LEU A 68 0.786 -5.084 5.097 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.784 -4.756 4.749 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.624 -4.923 3.447 1.00 1.00 H new ATOM 0 HG LEU A 68 2.723 -2.648 5.452 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.400 -1.290 3.513 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.568 -2.590 3.851 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.419 -2.755 2.502 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.015 -1.591 4.022 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.942 -3.065 3.028 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.431 -3.114 4.732 1.00 1.00 H new ATOM 1149 N ASP A 69 2.929 -7.306 6.139 1.00 1.00 N ATOM 1150 CA ASP A 69 3.204 -8.738 6.210 1.00 1.00 C ATOM 1151 C ASP A 69 1.981 -9.502 6.717 1.00 1.00 C ATOM 1152 O ASP A 69 1.773 -10.666 6.375 1.00 1.00 O ATOM 1153 CB ASP A 69 4.403 -8.993 7.125 1.00 1.00 C ATOM 1154 CG ASP A 69 4.624 -10.466 7.400 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.287 -11.135 6.582 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.133 -10.958 8.440 1.00 1.00 O ATOM 0 H ASP A 69 3.475 -6.743 6.791 1.00 1.00 H new ATOM 0 HA ASP A 69 3.437 -9.096 5.207 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.300 -8.574 6.668 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.252 -8.470 8.069 1.00 1.00 H new ATOM 1161 N TYR A 70 1.159 -8.821 7.510 1.00 1.00 N ATOM 1162 CA TYR A 70 -0.047 -9.411 8.094 1.00 1.00 C ATOM 1163 C TYR A 70 -0.972 -9.954 7.012 1.00 1.00 C ATOM 1164 O TYR A 70 -1.641 -10.971 7.197 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.786 -8.349 8.908 1.00 1.00 C ATOM 1166 CG TYR A 70 -2.054 -8.827 9.583 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -2.009 -9.558 10.763 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -3.300 -8.526 9.047 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -3.170 -9.975 11.388 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -4.463 -8.941 9.663 1.00 1.00 C ATOM 1171 CZ TYR A 70 -4.394 -9.665 10.833 1.00 1.00 C ATOM 1172 OH TYR A 70 -5.555 -10.071 11.455 1.00 1.00 O ATOM 0 H TYR A 70 1.308 -7.845 7.767 1.00 1.00 H new ATOM 0 HA TYR A 70 0.251 -10.239 8.738 1.00 1.00 H new ATOM 0 HB2 TYR A 70 -0.110 -7.962 9.671 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -1.034 -7.516 8.250 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -1.052 -9.805 11.199 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -3.359 -7.957 8.131 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -3.118 -10.541 12.306 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -5.422 -8.699 9.230 1.00 1.00 H new ATOM 0 HH TYR A 70 -6.328 -9.770 10.934 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.993 -9.273 5.880 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.906 -9.610 4.804 1.00 1.00 C ATOM 1184 C TYR A 71 -1.228 -10.477 3.748 1.00 1.00 C ATOM 1185 O TYR A 71 -1.778 -10.689 2.664 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.455 -8.327 4.187 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.401 -7.592 5.104 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.754 -7.901 5.130 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.938 -6.595 5.952 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.619 -7.238 5.976 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.797 -5.927 6.800 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.135 -6.252 6.808 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.993 -5.593 7.655 1.00 1.00 O ATOM 0 H TYR A 71 -0.384 -8.479 5.682 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.731 -10.193 5.214 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.625 -7.670 3.928 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.972 -8.569 3.258 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -5.136 -8.673 4.478 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.889 -6.338 5.948 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.669 -7.490 5.986 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.422 -5.154 7.454 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.037 -6.068 8.511 1.00 1.00 H new ATOM 1203 N MET A 72 -0.038 -10.981 4.082 1.00 1.00 N ATOM 1204 CA MET A 72 0.706 -11.890 3.207 1.00 1.00 C ATOM 1205 C MET A 72 0.982 -11.248 1.851 1.00 1.00 C ATOM 1206 O MET A 72 0.937 -11.909 0.811 1.00 1.00 O ATOM 1207 CB MET A 72 -0.056 -13.209 3.030 1.00 1.00 C ATOM 1208 CG MET A 72 -0.184 -14.012 4.315 1.00 1.00 C ATOM 1209 SD MET A 72 -1.091 -15.554 4.090 1.00 1.00 S ATOM 1210 CE MET A 72 -1.016 -16.234 5.747 1.00 1.00 C ATOM 0 H MET A 72 0.435 -10.772 4.961 1.00 1.00 H new ATOM 0 HA MET A 72 1.665 -12.101 3.681 1.00 1.00 H new ATOM 0 HB2 MET A 72 -1.053 -12.995 2.644 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.453 -13.816 2.281 1.00 1.00 H new ATOM 0 HG2 MET A 72 0.811 -14.234 4.699 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.688 -13.406 5.068 1.00 1.00 H new ATOM 0 HE1 MET A 72 -1.535 -17.192 5.771 1.00 1.00 H new ATOM 0 HE2 MET A 72 0.026 -16.378 6.034 1.00 1.00 H new ATOM 0 HE3 MET A 72 -1.493 -15.545 6.445 1.00 1.00 H new ATOM 1220 N LEU A 73 1.275 -9.955 1.875 1.00 1.00 N ATOM 1221 CA LEU A 73 1.593 -9.218 0.662 1.00 1.00 C ATOM 1222 C LEU A 73 2.990 -9.583 0.177 1.00 1.00 C ATOM 1223 O LEU A 73 3.892 -9.822 0.983 1.00 1.00 O ATOM 1224 CB LEU A 73 1.507 -7.713 0.920 1.00 1.00 C ATOM 1225 CG LEU A 73 0.159 -7.217 1.444 1.00 1.00 C ATOM 1226 CD1 LEU A 73 0.222 -5.730 1.740 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.948 -7.512 0.445 1.00 1.00 C ATOM 0 H LEU A 73 1.299 -9.393 2.726 1.00 1.00 H new ATOM 0 HA LEU A 73 0.870 -9.486 -0.108 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.280 -7.439 1.638 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.733 -7.188 -0.008 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.065 -7.748 2.369 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.745 -5.392 2.112 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.987 -5.541 2.493 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.469 -5.188 0.828 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.898 -7.151 0.838 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.731 -7.010 -0.498 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -1.010 -8.587 0.277 1.00 1.00 H new ATOM 1239 N ARG A 74 3.162 -9.647 -1.134 1.00 1.00 N ATOM 1240 CA ARG A 74 4.442 -10.000 -1.725 1.00 1.00 C ATOM 1241 C ARG A 74 4.696 -9.146 -2.955 1.00 1.00 C ATOM 1242 O ARG A 74 3.873 -8.303 -3.312 1.00 1.00 O ATOM 1243 CB ARG A 74 4.458 -11.483 -2.106 1.00 1.00 C ATOM 1244 CG ARG A 74 4.336 -12.417 -0.916 1.00 1.00 C ATOM 1245 CD ARG A 74 4.072 -13.848 -1.348 1.00 1.00 C ATOM 1246 NE ARG A 74 4.012 -14.755 -0.205 1.00 1.00 N ATOM 1247 CZ ARG A 74 2.908 -15.388 0.187 1.00 1.00 C ATOM 1248 NH1 ARG A 74 1.768 -15.206 -0.466 1.00 1.00 N ATOM 1249 NH2 ARG A 74 2.943 -16.197 1.236 1.00 1.00 N ATOM 0 H ARG A 74 2.425 -9.457 -1.813 1.00 1.00 H new ATOM 0 HA ARG A 74 5.230 -9.817 -0.994 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.639 -11.681 -2.798 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.384 -11.703 -2.637 1.00 1.00 H new ATOM 0 HG2 ARG A 74 5.253 -12.378 -0.328 1.00 1.00 H new ATOM 0 HG3 ARG A 74 3.527 -12.078 -0.269 1.00 1.00 H new ATOM 0 HD2 ARG A 74 3.133 -13.894 -1.899 1.00 1.00 H new ATOM 0 HD3 ARG A 74 4.858 -14.173 -2.030 1.00 1.00 H new ATOM 0 HE ARG A 74 4.869 -14.913 0.326 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.735 -14.580 -1.271 1.00 1.00 H new ATOM 0 HH12 ARG A 74 0.924 -15.692 -0.164 1.00 1.00 H new ATOM 0 HH21 ARG A 74 3.816 -16.335 1.744 1.00 1.00 H new ATOM 0 HH22 ARG A 74 2.097 -16.681 1.535 1.00 1.00 H new ATOM 1263 N ASN A 75 5.831 -9.361 -3.601 1.00 1.00 N ATOM 1264 CA ASN A 75 6.153 -8.631 -4.818 1.00 1.00 C ATOM 1265 C ASN A 75 5.197 -9.024 -5.937 1.00 1.00 C ATOM 1266 O ASN A 75 4.940 -10.207 -6.164 1.00 1.00 O ATOM 1267 CB ASN A 75 7.605 -8.877 -5.248 1.00 1.00 C ATOM 1268 CG ASN A 75 7.940 -10.347 -5.420 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.698 -10.934 -6.473 1.00 1.00 O ATOM 1270 ND2 ASN A 75 8.535 -10.944 -4.400 1.00 1.00 N ATOM 0 H ASN A 75 6.541 -10.031 -3.306 1.00 1.00 H new ATOM 0 HA ASN A 75 6.040 -7.567 -4.611 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.791 -8.357 -6.188 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.275 -8.443 -4.505 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.809 -11.924 -4.472 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.719 -10.424 -3.542 1.00 1.00 H new ATOM 1277 N GLY A 76 4.639 -8.028 -6.605 1.00 1.00 N ATOM 1278 CA GLY A 76 3.750 -8.293 -7.715 1.00 1.00 C ATOM 1279 C GLY A 76 2.296 -8.092 -7.349 1.00 1.00 C ATOM 1280 O GLY A 76 1.441 -7.988 -8.227 1.00 1.00 O ATOM 0 H GLY A 76 4.786 -7.040 -6.398 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.007 -7.637 -8.547 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.897 -9.317 -8.059 1.00 1.00 H new ATOM 1284 N ASP A 77 2.012 -8.034 -6.052 1.00 1.00 N ATOM 1285 CA ASP A 77 0.645 -7.831 -5.586 1.00 1.00 C ATOM 1286 C ASP A 77 0.200 -6.401 -5.849 1.00 1.00 C ATOM 1287 O ASP A 77 1.021 -5.482 -5.895 1.00 1.00 O ATOM 1288 CB ASP A 77 0.510 -8.161 -4.095 1.00 1.00 C ATOM 1289 CG ASP A 77 0.492 -9.653 -3.825 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.553 -10.293 -4.069 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.521 -10.197 -3.372 1.00 1.00 O ATOM 0 H ASP A 77 2.705 -8.124 -5.309 1.00 1.00 H new ATOM 0 HA ASP A 77 -0.000 -8.510 -6.143 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.338 -7.707 -3.550 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.407 -7.715 -3.710 1.00 1.00 H new ATOM 1296 N THR A 78 -1.096 -6.215 -6.028 1.00 1.00 N ATOM 1297 CA THR A 78 -1.635 -4.908 -6.356 1.00 1.00 C ATOM 1298 C THR A 78 -2.585 -4.419 -5.268 1.00 1.00 C ATOM 1299 O THR A 78 -3.455 -5.161 -4.804 1.00 1.00 O ATOM 1300 CB THR A 78 -2.377 -4.947 -7.707 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.571 -5.627 -8.680 1.00 1.00 O ATOM 1302 CG2 THR A 78 -2.694 -3.542 -8.204 1.00 1.00 C ATOM 0 H THR A 78 -1.795 -6.954 -5.951 1.00 1.00 H new ATOM 0 HA THR A 78 -0.796 -4.215 -6.428 1.00 1.00 H new ATOM 0 HB THR A 78 -3.317 -5.480 -7.563 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.045 -5.652 -9.537 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.217 -3.603 -9.158 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.325 -3.032 -7.476 1.00 1.00 H new ATOM 0 HG23 THR A 78 -1.767 -2.984 -8.334 1.00 1.00 H new ATOM 1310 N MET A 79 -2.406 -3.175 -4.852 1.00 1.00 N ATOM 1311 CA MET A 79 -3.287 -2.560 -3.876 1.00 1.00 C ATOM 1312 C MET A 79 -3.758 -1.212 -4.380 1.00 1.00 C ATOM 1313 O MET A 79 -3.015 -0.494 -5.041 1.00 1.00 O ATOM 1314 CB MET A 79 -2.595 -2.374 -2.526 1.00 1.00 C ATOM 1315 CG MET A 79 -2.218 -3.675 -1.838 1.00 1.00 C ATOM 1316 SD MET A 79 -1.833 -3.449 -0.095 1.00 1.00 S ATOM 1317 CE MET A 79 -0.540 -2.220 -0.205 1.00 1.00 C ATOM 0 H MET A 79 -1.653 -2.569 -5.179 1.00 1.00 H new ATOM 0 HA MET A 79 -4.137 -3.228 -3.738 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.694 -1.778 -2.671 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.252 -1.805 -1.868 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.039 -4.385 -1.936 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.357 -4.113 -2.343 1.00 1.00 H new ATOM 0 HE1 MET A 79 0.045 -2.224 0.715 1.00 1.00 H new ATOM 0 HE2 MET A 79 0.110 -2.450 -1.050 1.00 1.00 H new ATOM 0 HE3 MET A 79 -0.985 -1.235 -0.347 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.988 -0.871 -4.068 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.546 0.398 -4.473 1.00 1.00 C ATOM 1329 C GLU A 80 -5.604 1.353 -3.289 1.00 1.00 C ATOM 1330 O GLU A 80 -6.388 1.163 -2.362 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.937 0.191 -5.077 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.924 -0.681 -6.323 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.300 -0.871 -6.922 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.914 0.133 -7.339 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.768 -2.025 -6.996 1.00 1.00 O ATOM 0 H GLU A 80 -5.624 -1.460 -3.531 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.903 0.841 -5.234 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.587 -0.264 -4.329 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.367 1.162 -5.325 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.268 -0.232 -7.068 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.504 -1.655 -6.074 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.740 2.356 -3.309 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.777 3.409 -2.308 1.00 1.00 C ATOM 1344 C TYR A 81 -5.939 4.339 -2.620 1.00 1.00 C ATOM 1345 O TYR A 81 -5.892 5.114 -3.577 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.464 4.199 -2.292 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.381 5.239 -1.199 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.861 6.527 -1.395 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.806 4.934 0.025 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.773 7.478 -0.400 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.712 5.880 1.023 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.194 7.151 0.808 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.094 8.095 1.804 1.00 1.00 O ATOM 0 H TYR A 81 -4.005 2.462 -4.008 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.909 2.960 -1.323 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.634 3.501 -2.178 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -3.337 4.691 -3.256 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -4.310 6.788 -2.342 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.425 3.938 0.199 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -4.156 8.474 -0.566 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.262 5.625 1.971 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.128 7.653 2.678 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.988 4.235 -1.829 1.00 1.00 N ATOM 1364 CA ARG A 82 -8.203 4.996 -2.063 1.00 1.00 C ATOM 1365 C ARG A 82 -8.823 5.415 -0.744 1.00 1.00 C ATOM 1366 O ARG A 82 -8.525 4.834 0.301 1.00 1.00 O ATOM 1367 CB ARG A 82 -9.206 4.162 -2.870 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.407 2.757 -2.320 1.00 1.00 C ATOM 1369 CD ARG A 82 -10.493 1.998 -3.068 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.834 2.497 -2.758 1.00 1.00 N ATOM 1371 CZ ARG A 82 -12.958 1.839 -3.045 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -12.911 0.704 -3.732 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -14.135 2.326 -2.661 1.00 1.00 N ATOM 0 H ARG A 82 -7.025 3.626 -1.012 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.947 5.889 -2.633 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -10.166 4.678 -2.886 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.863 4.094 -3.902 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.469 2.205 -2.386 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.669 2.816 -1.264 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -10.317 2.079 -4.141 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -10.434 0.940 -2.814 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.913 3.402 -2.295 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -12.013 0.332 -4.042 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -13.773 0.204 -3.950 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -14.180 3.205 -2.146 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -14.993 1.820 -2.882 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.663 6.436 -0.795 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.426 6.866 0.366 1.00 1.00 C ATOM 1389 C LYS A 83 -11.285 5.709 0.861 1.00 1.00 C ATOM 1390 O LYS A 83 -11.891 5.002 0.055 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.310 8.051 -0.019 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.008 8.729 1.147 1.00 1.00 C ATOM 1393 CD LYS A 83 -13.077 9.683 0.638 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.585 10.612 1.724 1.00 1.00 C ATOM 1395 NZ LYS A 83 -12.572 11.632 2.090 1.00 1.00 N ATOM 0 H LYS A 83 -9.835 6.987 -1.636 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.748 7.173 1.162 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.698 8.789 -0.537 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.065 7.709 -0.727 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.459 7.979 1.796 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.280 9.274 1.748 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -12.672 10.275 -0.183 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.911 9.109 0.235 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -14.494 11.108 1.383 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -13.851 10.030 2.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -12.978 12.290 2.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -11.740 11.163 2.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.287 12.159 1.240 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.317 5.501 2.170 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.085 4.401 2.741 1.00 1.00 C ATOM 1411 C LYS A 84 -13.555 4.501 2.355 1.00 1.00 C ATOM 1412 O LYS A 84 -14.198 5.528 2.588 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.940 4.372 4.262 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.538 4.022 4.728 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.464 3.927 6.242 1.00 1.00 C ATOM 1416 CE LYS A 84 -9.083 3.498 6.706 1.00 1.00 C ATOM 1417 NZ LYS A 84 -9.028 3.308 8.178 1.00 1.00 N ATOM 0 H LYS A 84 -10.824 6.075 2.854 1.00 1.00 H new ATOM 0 HA LYS A 84 -11.686 3.471 2.335 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.216 5.347 4.664 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -12.643 3.647 4.673 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.233 3.073 4.287 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -9.836 4.778 4.375 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -10.712 4.893 6.681 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -11.207 3.214 6.600 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -8.806 2.568 6.209 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -8.351 4.249 6.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -8.069 3.016 8.455 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -9.268 4.202 8.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -9.709 2.573 8.459 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.062 3.425 1.752 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.448 3.348 1.300 1.00 1.00 C ATOM 1433 C GLN A 85 -15.722 4.391 0.219 1.00 1.00 C ATOM 1434 O GLN A 85 -15.170 4.252 -0.894 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.410 3.527 2.481 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.272 2.454 3.549 1.00 1.00 C ATOM 1437 CD GLN A 85 -17.085 2.758 4.790 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -18.132 3.403 4.722 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -16.611 2.291 5.932 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.489 5.341 0.478 1.00 1.00 O ATOM 0 H GLN A 85 -13.520 2.581 1.564 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.613 2.360 0.869 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.237 4.503 2.934 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.434 3.526 2.108 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -16.588 1.495 3.138 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -15.222 2.353 3.823 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -15.740 1.761 5.944 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -17.117 2.460 6.801 1.00 1.00 H new