USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 694 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 73 CYS SG : rot 37:sc= 0.28 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.155 X(o=0.44,f=-0.0077) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -175:sc= -0.364 (180deg=-0.502) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.23 K(o=-2.2,f=-1) USER MOD Single : A 20 THR OG1 : rot -101:sc= 0.163 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 176:sc= -2.21 (180deg=-2.23) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.131 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 56 SER OG : rot 98:sc= 1.2 USER MOD Single : A 58 TYR OH : rot 177:sc= 1.33 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -103:sc= 0.0275 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.09) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 174:sc= -0.117 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 7 -9.903 4.063 0.243 1.00 0.00 N ATOM 74 CA PRO A 7 -8.487 3.772 0.177 1.00 0.00 C ATOM 75 C PRO A 7 -8.253 2.347 0.719 1.00 0.00 C ATOM 76 O PRO A 7 -7.737 2.162 1.824 1.00 0.00 O ATOM 77 CB PRO A 7 -7.794 4.858 1.012 1.00 0.00 C ATOM 78 CG PRO A 7 -8.832 5.087 2.110 1.00 0.00 C ATOM 79 CD PRO A 7 -10.154 4.957 1.362 1.00 0.00 C ATOM 0 HA PRO A 7 -8.083 3.789 -0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.837 4.523 1.412 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.599 5.761 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.745 4.350 2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.723 6.069 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.931 4.557 2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.500 5.930 1.013 1.00 0.00 H new ATOM 87 N VAL A 8 -8.621 1.323 -0.047 1.00 0.00 N ATOM 88 CA VAL A 8 -8.419 -0.095 0.244 1.00 0.00 C ATOM 89 C VAL A 8 -7.858 -0.772 -1.015 1.00 0.00 C ATOM 90 O VAL A 8 -7.824 -0.165 -2.091 1.00 0.00 O ATOM 91 CB VAL A 8 -9.742 -0.680 0.798 1.00 0.00 C ATOM 92 CG1 VAL A 8 -9.719 -2.200 1.004 1.00 0.00 C ATOM 93 CG2 VAL A 8 -10.060 -0.035 2.157 1.00 0.00 C ATOM 0 H VAL A 8 -9.095 1.468 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.679 -0.274 1.024 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.498 -0.459 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.682 -2.529 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.525 -2.693 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.933 -2.459 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.991 -0.447 2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.251 -0.243 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.164 1.043 2.033 1.00 0.00 H new ATOM 103 N VAL A 9 -7.332 -1.996 -0.879 1.00 0.00 N ATOM 104 CA VAL A 9 -6.700 -2.781 -1.934 1.00 0.00 C ATOM 105 C VAL A 9 -7.718 -3.812 -2.444 1.00 0.00 C ATOM 106 O VAL A 9 -7.533 -5.017 -2.281 1.00 0.00 O ATOM 107 CB VAL A 9 -5.355 -3.392 -1.449 1.00 0.00 C ATOM 108 CG1 VAL A 9 -4.543 -3.969 -2.630 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.456 -2.430 -0.656 1.00 0.00 C ATOM 0 H VAL A 9 -7.339 -2.485 0.016 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.423 -2.149 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.656 -4.183 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.608 -4.389 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.122 -4.751 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.325 -3.175 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.542 -2.946 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.203 -1.572 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.984 -2.089 0.235 1.00 0.00 H new ATOM 119 N GLY A 10 -8.784 -3.336 -3.084 1.00 0.00 N ATOM 120 CA GLY A 10 -9.778 -4.141 -3.778 1.00 0.00 C ATOM 121 C GLY A 10 -9.565 -3.960 -5.274 1.00 0.00 C ATOM 122 O GLY A 10 -10.231 -3.119 -5.875 1.00 0.00 O ATOM 0 H GLY A 10 -8.984 -2.337 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.678 -5.191 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.784 -3.832 -3.496 1.00 0.00 H new ATOM 126 N MET A 11 -8.618 -4.717 -5.845 1.00 0.00 N ATOM 127 CA MET A 11 -8.176 -4.790 -7.249 1.00 0.00 C ATOM 128 C MET A 11 -7.675 -3.475 -7.859 1.00 0.00 C ATOM 129 O MET A 11 -6.522 -3.410 -8.292 1.00 0.00 O ATOM 130 CB MET A 11 -9.240 -5.464 -8.135 1.00 0.00 C ATOM 131 CG MET A 11 -9.332 -6.979 -7.916 1.00 0.00 C ATOM 132 SD MET A 11 -7.873 -7.917 -8.460 1.00 0.00 S ATOM 133 CE MET A 11 -8.601 -9.568 -8.632 1.00 0.00 C ATOM 0 H MET A 11 -8.081 -5.367 -5.271 1.00 0.00 H new ATOM 0 HA MET A 11 -7.286 -5.419 -7.222 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.212 -5.014 -7.932 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.010 -5.267 -9.182 1.00 0.00 H new ATOM 0 HG2 MET A 11 -9.494 -7.170 -6.855 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.207 -7.356 -8.445 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.836 -10.271 -8.961 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.001 -9.891 -7.671 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.405 -9.536 -9.367 1.00 0.00 H new ATOM 143 N ASP A 12 -8.488 -2.429 -7.888 1.00 0.00 N ATOM 144 CA ASP A 12 -8.239 -1.160 -8.568 1.00 0.00 C ATOM 145 C ASP A 12 -7.016 -0.445 -7.987 1.00 0.00 C ATOM 146 O ASP A 12 -7.072 0.094 -6.876 1.00 0.00 O ATOM 147 CB ASP A 12 -9.480 -0.274 -8.430 1.00 0.00 C ATOM 148 CG ASP A 12 -9.378 0.993 -9.275 1.00 0.00 C ATOM 149 OD1 ASP A 12 -8.267 1.358 -9.711 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.433 1.603 -9.565 1.00 0.00 O ATOM 0 H ASP A 12 -9.390 -2.441 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.034 -1.359 -9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.363 -0.839 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.616 -0.001 -7.383 1.00 0.00 H new ATOM 155 N LYS A 13 -5.850 -0.495 -8.636 1.00 0.00 N ATOM 156 CA LYS A 13 -4.705 0.303 -8.224 1.00 0.00 C ATOM 157 C LYS A 13 -4.701 1.603 -9.033 1.00 0.00 C ATOM 158 O LYS A 13 -3.903 1.726 -9.958 1.00 0.00 O ATOM 159 CB LYS A 13 -3.407 -0.511 -8.372 1.00 0.00 C ATOM 160 CG LYS A 13 -3.268 -1.755 -7.469 1.00 0.00 C ATOM 161 CD LYS A 13 -3.251 -1.426 -5.978 1.00 0.00 C ATOM 162 CE LYS A 13 -4.317 -2.221 -5.223 1.00 0.00 C ATOM 163 NZ LYS A 13 -5.666 -2.149 -5.820 1.00 0.00 N ATOM 0 H LYS A 13 -5.679 -1.084 -9.451 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.774 0.568 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.322 -0.832 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.564 0.151 -8.173 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.094 -2.437 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.349 -2.281 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.267 -1.649 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.422 -0.359 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.009 -3.265 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.367 -1.856 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.345 -2.642 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.949 -1.153 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.656 -2.601 -6.757 1.00 0.00 H new ATOM 177 N SER A 14 -5.578 2.542 -8.672 1.00 0.00 N ATOM 178 CA SER A 14 -5.564 3.921 -9.164 1.00 0.00 C ATOM 179 C SER A 14 -5.977 4.950 -8.098 1.00 0.00 C ATOM 180 O SER A 14 -5.847 6.143 -8.363 1.00 0.00 O ATOM 181 CB SER A 14 -6.461 4.051 -10.410 1.00 0.00 C ATOM 182 OG SER A 14 -5.697 4.236 -11.583 1.00 0.00 O ATOM 0 H SER A 14 -6.336 2.360 -8.014 1.00 0.00 H new ATOM 0 HA SER A 14 -4.531 4.147 -9.429 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.075 3.156 -10.512 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.142 4.892 -10.282 1.00 0.00 H new ATOM 0 HG SER A 14 -6.296 4.313 -12.355 1.00 0.00 H new ATOM 188 N LEU A 15 -6.478 4.553 -6.916 1.00 0.00 N ATOM 189 CA LEU A 15 -7.162 5.470 -5.996 1.00 0.00 C ATOM 190 C LEU A 15 -6.472 5.721 -4.645 1.00 0.00 C ATOM 191 O LEU A 15 -7.056 6.391 -3.791 1.00 0.00 O ATOM 192 CB LEU A 15 -8.655 5.116 -5.876 1.00 0.00 C ATOM 193 CG LEU A 15 -9.055 3.706 -5.410 1.00 0.00 C ATOM 194 CD1 LEU A 15 -9.215 2.739 -6.579 1.00 0.00 C ATOM 195 CD2 LEU A 15 -8.104 3.080 -4.397 1.00 0.00 C ATOM 0 H LEU A 15 -6.420 3.593 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.083 6.451 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.108 5.830 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.111 5.281 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.012 3.863 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.498 1.756 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.990 3.106 -7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.272 2.663 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.464 2.088 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.109 2.998 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.058 3.706 -3.506 1.00 0.00 H new ATOM 207 N PHE A 16 -5.256 5.228 -4.413 1.00 0.00 N ATOM 208 CA PHE A 16 -4.594 5.323 -3.108 1.00 0.00 C ATOM 209 C PHE A 16 -4.217 6.763 -2.768 1.00 0.00 C ATOM 210 O PHE A 16 -4.454 7.189 -1.636 1.00 0.00 O ATOM 211 CB PHE A 16 -3.362 4.401 -3.004 1.00 0.00 C ATOM 212 CG PHE A 16 -3.722 2.938 -2.988 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.298 2.340 -4.124 1.00 0.00 C ATOM 214 CD2 PHE A 16 -3.592 2.209 -1.792 1.00 0.00 C ATOM 215 CE1 PHE A 16 -4.817 1.042 -4.045 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.060 0.890 -1.732 1.00 0.00 C ATOM 217 CZ PHE A 16 -4.683 0.318 -2.852 1.00 0.00 C ATOM 0 H PHE A 16 -4.700 4.751 -5.123 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.322 4.979 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.696 4.597 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.809 4.644 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.340 2.882 -5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.134 2.663 -0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.316 0.602 -4.896 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.942 0.314 -0.826 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.063 -0.691 -2.794 1.00 0.00 H new ATOM 227 N ALA A 17 -3.666 7.501 -3.736 1.00 0.00 N ATOM 228 CA ALA A 17 -3.170 8.875 -3.630 1.00 0.00 C ATOM 229 C ALA A 17 -4.299 9.914 -3.519 1.00 0.00 C ATOM 230 O ALA A 17 -4.323 10.908 -4.249 1.00 0.00 O ATOM 231 CB ALA A 17 -2.270 9.140 -4.847 1.00 0.00 C ATOM 0 H ALA A 17 -3.547 7.128 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.602 8.980 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.883 10.158 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.439 8.435 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.849 9.015 -5.762 1.00 0.00 H new ATOM 237 N GLY A 18 -5.270 9.667 -2.642 1.00 0.00 N ATOM 238 CA GLY A 18 -6.320 10.612 -2.319 1.00 0.00 C ATOM 239 C GLY A 18 -6.516 10.725 -0.815 1.00 0.00 C ATOM 240 O GLY A 18 -6.736 11.830 -0.319 1.00 0.00 O ATOM 0 H GLY A 18 -5.344 8.787 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.071 11.590 -2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.253 10.297 -2.787 1.00 0.00 H new ATOM 244 N ASN A 19 -6.433 9.614 -0.076 1.00 0.00 N ATOM 245 CA ASN A 19 -6.781 9.643 1.336 1.00 0.00 C ATOM 246 C ASN A 19 -5.590 10.090 2.181 1.00 0.00 C ATOM 247 O ASN A 19 -4.695 9.312 2.497 1.00 0.00 O ATOM 248 CB ASN A 19 -7.325 8.292 1.776 1.00 0.00 C ATOM 249 CG ASN A 19 -7.985 8.442 3.133 1.00 0.00 C ATOM 250 OD1 ASN A 19 -9.128 8.870 3.220 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.299 8.085 4.198 1.00 0.00 N ATOM 0 H ASN A 19 -6.134 8.705 -0.428 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.571 10.378 1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.045 7.921 1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.518 7.561 1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.719 8.162 5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.348 7.731 4.097 1.00 0.00 H new ATOM 258 N THR A 20 -5.589 11.348 2.590 1.00 0.00 N ATOM 259 CA THR A 20 -4.582 12.038 3.393 1.00 0.00 C ATOM 260 C THR A 20 -4.542 11.586 4.868 1.00 0.00 C ATOM 261 O THR A 20 -3.896 12.241 5.689 1.00 0.00 O ATOM 262 CB THR A 20 -4.878 13.550 3.267 1.00 0.00 C ATOM 263 OG1 THR A 20 -6.280 13.769 3.274 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.338 14.109 1.949 1.00 0.00 C ATOM 0 H THR A 20 -6.360 11.971 2.349 1.00 0.00 H new ATOM 0 HA THR A 20 -3.590 11.791 3.016 1.00 0.00 H new ATOM 0 HB THR A 20 -4.396 14.048 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.593 13.916 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.560 15.174 1.887 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.259 13.960 1.906 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.809 13.591 1.114 1.00 0.00 H new ATOM 272 N VAL A 21 -5.248 10.508 5.230 1.00 0.00 N ATOM 273 CA VAL A 21 -5.379 10.017 6.597 1.00 0.00 C ATOM 274 C VAL A 21 -5.471 8.479 6.577 1.00 0.00 C ATOM 275 O VAL A 21 -6.438 7.884 7.047 1.00 0.00 O ATOM 276 CB VAL A 21 -6.527 10.793 7.297 1.00 0.00 C ATOM 277 CG1 VAL A 21 -7.925 10.574 6.691 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.548 10.556 8.813 1.00 0.00 C ATOM 0 H VAL A 21 -5.758 9.939 4.554 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.503 10.217 7.214 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.287 11.840 7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.658 11.157 7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.924 10.893 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.184 9.517 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.368 11.120 9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.687 9.494 9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.604 10.886 9.246 1.00 0.00 H new ATOM 288 N ILE A 22 -4.485 7.820 5.960 1.00 0.00 N ATOM 289 CA ILE A 22 -4.330 6.359 5.995 1.00 0.00 C ATOM 290 C ILE A 22 -2.907 5.988 6.381 1.00 0.00 C ATOM 291 O ILE A 22 -2.028 5.886 5.532 1.00 0.00 O ATOM 292 CB ILE A 22 -4.805 5.696 4.687 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.662 4.168 4.743 1.00 0.00 C ATOM 294 CG2 ILE A 22 -4.134 6.244 3.412 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.327 3.488 3.546 1.00 0.00 C ATOM 0 H ILE A 22 -3.762 8.290 5.415 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.984 5.958 6.769 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.860 5.960 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.605 3.903 4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.107 3.795 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.527 5.721 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.343 7.310 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.057 6.089 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.202 2.408 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.390 3.731 3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.864 3.840 2.624 1.00 0.00 H new ATOM 307 N ARG A 23 -2.676 5.790 7.675 1.00 0.00 N ATOM 308 CA ARG A 23 -1.350 5.479 8.195 1.00 0.00 C ATOM 309 C ARG A 23 -0.956 4.033 7.926 1.00 0.00 C ATOM 310 O ARG A 23 0.237 3.755 8.008 1.00 0.00 O ATOM 311 CB ARG A 23 -1.229 5.872 9.678 1.00 0.00 C ATOM 312 CG ARG A 23 -0.437 7.187 9.767 1.00 0.00 C ATOM 313 CD ARG A 23 1.068 6.942 9.625 1.00 0.00 C ATOM 314 NE ARG A 23 1.758 8.169 9.214 1.00 0.00 N ATOM 315 CZ ARG A 23 2.261 9.120 10.002 1.00 0.00 C ATOM 316 NH1 ARG A 23 2.197 9.043 11.326 1.00 0.00 N ATOM 317 NH2 ARG A 23 2.828 10.170 9.432 1.00 0.00 N ATOM 0 H ARG A 23 -3.401 5.841 8.391 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.627 6.087 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.218 5.994 10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.724 5.086 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.772 7.869 8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.640 7.672 10.722 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.475 6.591 10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.246 6.156 8.891 1.00 0.00 H new ATOM 0 HE ARG A 23 1.866 8.311 8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.753 8.239 11.769 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.592 9.788 11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.872 10.237 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.221 10.913 10.009 1.00 0.00 H new ATOM 331 N GLU A 24 -1.892 3.151 7.565 1.00 0.00 N ATOM 332 CA GLU A 24 -1.653 1.713 7.442 1.00 0.00 C ATOM 333 C GLU A 24 -2.338 1.206 6.176 1.00 0.00 C ATOM 334 O GLU A 24 -3.504 1.539 5.945 1.00 0.00 O ATOM 335 CB GLU A 24 -2.271 0.967 8.637 1.00 0.00 C ATOM 336 CG GLU A 24 -1.620 1.215 10.008 1.00 0.00 C ATOM 337 CD GLU A 24 -2.324 0.449 11.141 1.00 0.00 C ATOM 338 OE1 GLU A 24 -3.384 -0.188 10.901 1.00 0.00 O ATOM 339 OE2 GLU A 24 -1.794 0.424 12.274 1.00 0.00 O ATOM 0 H GLU A 24 -2.851 3.421 7.347 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.578 1.537 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.324 1.242 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.233 -0.102 8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.572 0.917 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.640 2.282 10.228 1.00 0.00 H new ATOM 346 N ILE A 25 -1.669 0.368 5.379 1.00 0.00 N ATOM 347 CA ILE A 25 -2.216 -0.174 4.136 1.00 0.00 C ATOM 348 C ILE A 25 -1.943 -1.679 4.101 1.00 0.00 C ATOM 349 O ILE A 25 -0.786 -2.090 4.013 1.00 0.00 O ATOM 350 CB ILE A 25 -1.623 0.581 2.924 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.980 2.079 2.994 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.085 -0.045 1.595 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.523 2.928 1.807 1.00 0.00 C ATOM 0 H ILE A 25 -0.723 0.045 5.582 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.295 -0.030 4.086 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.538 0.490 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.062 2.171 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.545 2.495 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.651 0.508 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.759 -1.084 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.172 -0.003 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.827 3.963 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.438 2.878 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.978 2.549 0.892 1.00 0.00 H new ATOM 365 N THR A 26 -2.986 -2.508 4.171 1.00 0.00 N ATOM 366 CA THR A 26 -2.858 -3.962 4.076 1.00 0.00 C ATOM 367 C THR A 26 -3.055 -4.381 2.608 1.00 0.00 C ATOM 368 O THR A 26 -4.177 -4.346 2.091 1.00 0.00 O ATOM 369 CB THR A 26 -3.880 -4.632 5.009 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.625 -4.245 6.344 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.808 -6.162 4.936 1.00 0.00 C ATOM 0 H THR A 26 -3.946 -2.188 4.296 1.00 0.00 H new ATOM 0 HA THR A 26 -1.866 -4.284 4.394 1.00 0.00 H new ATOM 0 HB THR A 26 -4.871 -4.312 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.278 -4.671 6.938 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.547 -6.594 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.014 -6.488 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.812 -6.494 5.229 1.00 0.00 H new ATOM 379 N VAL A 27 -1.985 -4.786 1.919 1.00 0.00 N ATOM 380 CA VAL A 27 -1.992 -5.233 0.527 1.00 0.00 C ATOM 381 C VAL A 27 -1.896 -6.757 0.510 1.00 0.00 C ATOM 382 O VAL A 27 -0.834 -7.331 0.756 1.00 0.00 O ATOM 383 CB VAL A 27 -0.849 -4.573 -0.282 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.052 -4.713 -1.796 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.703 -3.078 0.006 1.00 0.00 C ATOM 0 H VAL A 27 -1.054 -4.812 2.334 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.920 -4.927 0.045 1.00 0.00 H new ATOM 0 HB VAL A 27 0.047 -5.105 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.225 -4.234 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.087 -5.769 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.988 -4.235 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.114 -2.671 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.630 -2.566 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.488 -2.931 1.064 1.00 0.00 H new ATOM 395 N GLN A 28 -3.008 -7.424 0.216 1.00 0.00 N ATOM 396 CA GLN A 28 -3.011 -8.848 -0.096 1.00 0.00 C ATOM 397 C GLN A 28 -2.248 -9.149 -1.395 1.00 0.00 C ATOM 398 O GLN A 28 -1.880 -8.210 -2.110 1.00 0.00 O ATOM 399 CB GLN A 28 -4.449 -9.390 0.031 1.00 0.00 C ATOM 400 CG GLN A 28 -5.516 -8.668 -0.785 1.00 0.00 C ATOM 401 CD GLN A 28 -6.877 -9.318 -0.566 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.410 -9.995 -1.444 1.00 0.00 O ATOM 403 NE2 GLN A 28 -7.453 -9.139 0.605 1.00 0.00 N ATOM 0 H GLN A 28 -3.932 -6.992 0.188 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.435 -9.418 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.446 -10.440 -0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.738 -9.353 1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.556 -7.618 -0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.257 -8.698 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.993 -8.574 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.359 -9.566 0.798 1.00 0.00 H new ATOM 412 N PRO A 29 -1.891 -10.410 -1.678 1.00 0.00 N ATOM 413 CA PRO A 29 -1.186 -10.768 -2.901 1.00 0.00 C ATOM 414 C PRO A 29 -2.137 -10.705 -4.094 1.00 0.00 C ATOM 415 O PRO A 29 -3.356 -10.625 -3.944 1.00 0.00 O ATOM 416 CB PRO A 29 -0.632 -12.176 -2.667 1.00 0.00 C ATOM 417 CG PRO A 29 -1.589 -12.767 -1.639 1.00 0.00 C ATOM 418 CD PRO A 29 -2.007 -11.567 -0.807 1.00 0.00 C ATOM 0 HA PRO A 29 -0.374 -10.078 -3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.620 -12.761 -3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.392 -12.148 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.446 -13.242 -2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.102 -13.528 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.029 -11.681 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.368 -11.460 0.070 1.00 0.00 H new ATOM 426 N ASN A 30 -1.551 -10.782 -5.289 1.00 0.00 N ATOM 427 CA ASN A 30 -2.235 -10.928 -6.570 1.00 0.00 C ATOM 428 C ASN A 30 -3.426 -9.962 -6.730 1.00 0.00 C ATOM 429 O ASN A 30 -4.473 -10.380 -7.232 1.00 0.00 O ATOM 430 CB ASN A 30 -2.687 -12.391 -6.788 1.00 0.00 C ATOM 431 CG ASN A 30 -1.695 -13.514 -6.499 1.00 0.00 C ATOM 432 OD1 ASN A 30 -2.103 -14.590 -6.066 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.409 -13.339 -6.750 1.00 0.00 N ATOM 0 H ASN A 30 -0.537 -10.742 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.510 -10.661 -7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.568 -12.561 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.003 -12.488 -7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.251 -14.099 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.077 -12.444 -7.109 1.00 0.00 H new ATOM 440 N ILE A 31 -3.339 -8.703 -6.279 1.00 0.00 N ATOM 441 CA ILE A 31 -4.466 -7.755 -6.296 1.00 0.00 C ATOM 442 C ILE A 31 -4.081 -6.395 -6.917 1.00 0.00 C ATOM 443 O ILE A 31 -4.753 -5.381 -6.701 1.00 0.00 O ATOM 444 CB ILE A 31 -5.186 -7.759 -4.929 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.547 -7.050 -4.974 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.319 -7.223 -3.801 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.556 -7.666 -4.008 1.00 0.00 C ATOM 0 H ILE A 31 -2.482 -8.310 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.238 -8.085 -6.991 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.378 -8.809 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.413 -5.996 -4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.944 -7.096 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.879 -7.251 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.424 -7.838 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.031 -6.195 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.502 -7.129 -4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.714 -8.713 -4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.174 -7.596 -2.990 1.00 0.00 H new ATOM 459 N GLY A 32 -3.028 -6.381 -7.744 1.00 0.00 N ATOM 460 CA GLY A 32 -2.827 -5.385 -8.795 1.00 0.00 C ATOM 461 C GLY A 32 -1.469 -4.696 -8.718 1.00 0.00 C ATOM 462 O GLY A 32 -0.788 -4.755 -7.689 1.00 0.00 O ATOM 0 H GLY A 32 -2.281 -7.075 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.928 -5.867 -9.767 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.613 -4.633 -8.729 1.00 0.00 H new ATOM 466 N LEU A 33 -1.090 -4.028 -9.808 1.00 0.00 N ATOM 467 CA LEU A 33 0.151 -3.281 -9.975 1.00 0.00 C ATOM 468 C LEU A 33 0.183 -2.049 -9.090 1.00 0.00 C ATOM 469 O LEU A 33 -0.605 -1.125 -9.270 1.00 0.00 O ATOM 470 CB LEU A 33 0.313 -2.874 -11.444 1.00 0.00 C ATOM 471 CG LEU A 33 1.546 -1.983 -11.709 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.853 -2.758 -11.525 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.473 -1.424 -13.124 1.00 0.00 C ATOM 0 H LEU A 33 -1.675 -3.994 -10.643 1.00 0.00 H new ATOM 0 HA LEU A 33 0.978 -3.926 -9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.388 -3.774 -12.055 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.583 -2.344 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 33 1.537 -1.169 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.698 -2.098 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.913 -3.132 -10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.880 -3.597 -12.221 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.343 -0.795 -13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.458 -2.246 -13.840 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.565 -0.831 -13.234 1.00 0.00 H new ATOM 485 N LEU A 34 1.136 -2.007 -8.168 1.00 0.00 N ATOM 486 CA LEU A 34 1.511 -0.789 -7.479 1.00 0.00 C ATOM 487 C LEU A 34 2.313 0.046 -8.479 1.00 0.00 C ATOM 488 O LEU A 34 3.487 -0.239 -8.696 1.00 0.00 O ATOM 489 CB LEU A 34 2.309 -1.136 -6.210 1.00 0.00 C ATOM 490 CG LEU A 34 1.457 -1.955 -5.216 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.014 -3.357 -4.948 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.299 -1.256 -3.871 1.00 0.00 C ATOM 0 H LEU A 34 1.672 -2.825 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 34 0.647 -0.215 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.199 -1.703 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.650 -0.219 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 34 0.489 -2.043 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.367 -3.877 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.055 -3.917 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.017 -3.276 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.692 -1.874 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.281 -1.101 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.811 -0.292 -4.017 1.00 0.00 H new ATOM 504 N TYR A 35 1.651 0.979 -9.170 1.00 0.00 N ATOM 505 CA TYR A 35 2.260 1.833 -10.185 1.00 0.00 C ATOM 506 C TYR A 35 3.102 2.953 -9.547 1.00 0.00 C ATOM 507 O TYR A 35 3.117 3.116 -8.326 1.00 0.00 O ATOM 508 CB TYR A 35 1.168 2.372 -11.129 1.00 0.00 C ATOM 509 CG TYR A 35 0.251 3.421 -10.531 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.594 4.782 -10.631 1.00 0.00 C ATOM 511 CD2 TYR A 35 -0.919 3.046 -9.849 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.175 5.766 -9.986 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.697 4.024 -9.205 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.322 5.386 -9.259 1.00 0.00 C ATOM 515 OH TYR A 35 -2.057 6.321 -8.594 1.00 0.00 O ATOM 0 H TYR A 35 0.657 1.163 -9.034 1.00 0.00 H new ATOM 0 HA TYR A 35 2.955 1.242 -10.782 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.650 2.795 -12.010 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.560 1.534 -11.470 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.458 5.074 -11.210 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.220 2.009 -9.820 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.111 6.806 -10.047 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.586 3.733 -8.666 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.813 5.886 -8.147 1.00 0.00 H new ATOM 525 N ASP A 36 3.812 3.721 -10.380 1.00 0.00 N ATOM 526 CA ASP A 36 4.690 4.812 -9.954 1.00 0.00 C ATOM 527 C ASP A 36 3.947 5.925 -9.230 1.00 0.00 C ATOM 528 O ASP A 36 2.948 6.444 -9.722 1.00 0.00 O ATOM 529 CB ASP A 36 5.475 5.368 -11.139 1.00 0.00 C ATOM 530 CG ASP A 36 6.151 6.697 -10.818 1.00 0.00 C ATOM 531 OD1 ASP A 36 7.248 6.629 -10.232 1.00 0.00 O ATOM 532 OD2 ASP A 36 5.586 7.753 -11.189 1.00 0.00 O ATOM 0 H ASP A 36 3.791 3.597 -11.392 1.00 0.00 H new ATOM 0 HA ASP A 36 5.388 4.385 -9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.231 4.643 -11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.802 5.501 -11.986 1.00 0.00 H new ATOM 537 N GLY A 37 4.449 6.304 -8.054 1.00 0.00 N ATOM 538 CA GLY A 37 3.865 7.385 -7.271 1.00 0.00 C ATOM 539 C GLY A 37 2.481 7.007 -6.739 1.00 0.00 C ATOM 540 O GLY A 37 1.663 7.891 -6.473 1.00 0.00 O ATOM 0 H GLY A 37 5.266 5.872 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.523 7.628 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.787 8.281 -7.887 1.00 0.00 H new ATOM 544 N MET A 38 2.216 5.702 -6.580 1.00 0.00 N ATOM 545 CA MET A 38 0.940 5.111 -6.164 1.00 0.00 C ATOM 546 C MET A 38 0.301 5.827 -4.981 1.00 0.00 C ATOM 547 O MET A 38 -0.923 5.919 -4.897 1.00 0.00 O ATOM 548 CB MET A 38 1.182 3.643 -5.757 1.00 0.00 C ATOM 549 CG MET A 38 0.379 2.665 -6.602 1.00 0.00 C ATOM 550 SD MET A 38 -1.369 2.439 -6.178 1.00 0.00 S ATOM 551 CE MET A 38 -1.165 1.186 -4.894 1.00 0.00 C ATOM 0 H MET A 38 2.929 4.992 -6.748 1.00 0.00 H new ATOM 0 HA MET A 38 0.260 5.199 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.243 3.413 -5.851 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.919 3.512 -4.707 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.435 2.992 -7.640 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.868 1.692 -6.548 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.134 0.959 -4.450 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.746 0.280 -5.333 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.491 1.561 -4.124 1.00 0.00 H new ATOM 561 N PHE A 39 1.139 6.285 -4.053 1.00 0.00 N ATOM 562 CA PHE A 39 0.772 6.782 -2.744 1.00 0.00 C ATOM 563 C PHE A 39 1.030 8.288 -2.616 1.00 0.00 C ATOM 564 O PHE A 39 1.041 8.801 -1.499 1.00 0.00 O ATOM 565 CB PHE A 39 1.571 5.991 -1.699 1.00 0.00 C ATOM 566 CG PHE A 39 1.403 4.483 -1.764 1.00 0.00 C ATOM 567 CD1 PHE A 39 0.235 3.878 -1.256 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.420 3.677 -2.312 1.00 0.00 C ATOM 569 CE1 PHE A 39 0.108 2.477 -1.271 1.00 0.00 C ATOM 570 CE2 PHE A 39 2.303 2.279 -2.294 1.00 0.00 C ATOM 571 CZ PHE A 39 1.150 1.675 -1.767 1.00 0.00 C ATOM 0 H PHE A 39 2.146 6.318 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.297 6.642 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.628 6.228 -1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.277 6.331 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.561 4.489 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.294 4.137 -2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.795 2.015 -0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.101 1.666 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.064 0.599 -1.743 1.00 0.00 H new ATOM 581 N SER A 40 1.270 8.996 -3.723 1.00 0.00 N ATOM 582 CA SER A 40 1.656 10.397 -3.720 1.00 0.00 C ATOM 583 C SER A 40 0.727 11.245 -2.844 1.00 0.00 C ATOM 584 O SER A 40 -0.477 11.324 -3.098 1.00 0.00 O ATOM 585 CB SER A 40 1.717 10.906 -5.158 1.00 0.00 C ATOM 586 OG SER A 40 2.198 12.234 -5.198 1.00 0.00 O ATOM 0 H SER A 40 1.198 8.598 -4.660 1.00 0.00 H new ATOM 0 HA SER A 40 2.647 10.489 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.366 10.261 -5.750 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.725 10.859 -5.608 1.00 0.00 H new ATOM 0 HG SER A 40 2.232 12.542 -6.128 1.00 0.00 H new ATOM 592 N GLY A 41 1.286 11.884 -1.814 1.00 0.00 N ATOM 593 CA GLY A 41 0.543 12.796 -0.961 1.00 0.00 C ATOM 594 C GLY A 41 -0.395 12.069 -0.002 1.00 0.00 C ATOM 595 O GLY A 41 -1.338 12.675 0.512 1.00 0.00 O ATOM 0 H GLY A 41 2.267 11.780 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.243 13.404 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.036 13.479 -1.583 1.00 0.00 H new ATOM 599 N CYS A 42 -0.153 10.785 0.275 1.00 0.00 N ATOM 600 CA CYS A 42 -0.642 10.157 1.491 1.00 0.00 C ATOM 601 C CYS A 42 0.188 10.719 2.657 1.00 0.00 C ATOM 602 O CYS A 42 1.143 10.101 3.121 1.00 0.00 O ATOM 603 CB CYS A 42 -0.555 8.634 1.383 1.00 0.00 C ATOM 604 SG CYS A 42 -1.549 8.020 -0.005 1.00 0.00 S ATOM 0 H CYS A 42 0.381 10.164 -0.333 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.695 10.381 1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.485 8.335 1.250 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.902 8.180 2.311 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.451 6.725 -0.069 1.00 0.00 H new ATOM 610 N THR A 43 -0.143 11.930 3.092 1.00 0.00 N ATOM 611 CA THR A 43 0.641 12.771 3.987 1.00 0.00 C ATOM 612 C THR A 43 0.562 12.303 5.441 1.00 0.00 C ATOM 613 O THR A 43 1.281 12.827 6.296 1.00 0.00 O ATOM 614 CB THR A 43 0.167 14.228 3.825 1.00 0.00 C ATOM 615 OG1 THR A 43 -1.249 14.313 3.814 1.00 0.00 O ATOM 616 CG2 THR A 43 0.668 14.830 2.510 1.00 0.00 C ATOM 0 H THR A 43 -1.017 12.376 2.813 1.00 0.00 H new ATOM 0 HA THR A 43 1.694 12.698 3.716 1.00 0.00 H new ATOM 0 HB THR A 43 0.572 14.777 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.520 15.249 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.318 15.859 2.424 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.758 14.815 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.286 14.245 1.673 1.00 0.00 H new ATOM 624 N ALA A 44 -0.283 11.309 5.730 1.00 0.00 N ATOM 625 CA ALA A 44 -0.217 10.516 6.933 1.00 0.00 C ATOM 626 C ALA A 44 -0.404 9.060 6.515 1.00 0.00 C ATOM 627 O ALA A 44 -1.465 8.485 6.743 1.00 0.00 O ATOM 628 CB ALA A 44 -1.244 11.006 7.952 1.00 0.00 C ATOM 0 H ALA A 44 -1.046 11.037 5.110 1.00 0.00 H new ATOM 0 HA ALA A 44 0.745 10.611 7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.181 10.397 8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.040 12.047 8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.245 10.924 7.528 1.00 0.00 H new ATOM 634 N LEU A 45 0.634 8.508 5.887 1.00 0.00 N ATOM 635 CA LEU A 45 0.903 7.108 5.522 1.00 0.00 C ATOM 636 C LEU A 45 2.340 6.770 5.880 1.00 0.00 C ATOM 637 O LEU A 45 3.232 7.452 5.382 1.00 0.00 O ATOM 638 CB LEU A 45 0.694 6.866 4.023 1.00 0.00 C ATOM 639 CG LEU A 45 1.205 5.500 3.515 1.00 0.00 C ATOM 640 CD1 LEU A 45 0.470 4.324 4.163 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.046 5.450 1.995 1.00 0.00 C ATOM 0 H LEU A 45 1.405 9.103 5.582 1.00 0.00 H new ATOM 0 HA LEU A 45 0.207 6.474 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.370 6.947 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.197 7.657 3.467 1.00 0.00 H new ATOM 0 HG LEU A 45 2.255 5.404 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.867 3.387 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.613 4.356 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.594 4.390 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.403 4.490 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.006 5.571 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.627 6.253 1.542 1.00 0.00 H new ATOM 653 N GLU A 46 2.568 5.734 6.698 1.00 0.00 N ATOM 654 CA GLU A 46 3.914 5.199 6.936 1.00 0.00 C ATOM 655 C GLU A 46 3.971 3.672 7.087 1.00 0.00 C ATOM 656 O GLU A 46 5.040 3.115 6.862 1.00 0.00 O ATOM 657 CB GLU A 46 4.601 5.867 8.141 1.00 0.00 C ATOM 658 CG GLU A 46 4.870 7.360 7.894 1.00 0.00 C ATOM 659 CD GLU A 46 5.939 7.990 8.798 1.00 0.00 C ATOM 660 OE1 GLU A 46 6.012 7.662 10.004 1.00 0.00 O ATOM 661 OE2 GLU A 46 6.747 8.816 8.306 1.00 0.00 O ATOM 0 H GLU A 46 1.832 5.247 7.209 1.00 0.00 H new ATOM 0 HA GLU A 46 4.462 5.447 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.974 5.753 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.542 5.358 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.172 7.491 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.937 7.908 8.026 1.00 0.00 H new ATOM 668 N LYS A 47 2.886 2.953 7.407 1.00 0.00 N ATOM 669 CA LYS A 47 2.923 1.488 7.471 1.00 0.00 C ATOM 670 C LYS A 47 2.326 0.868 6.216 1.00 0.00 C ATOM 671 O LYS A 47 1.314 1.336 5.687 1.00 0.00 O ATOM 672 CB LYS A 47 2.173 0.961 8.712 1.00 0.00 C ATOM 673 CG LYS A 47 3.088 0.812 9.938 1.00 0.00 C ATOM 674 CD LYS A 47 2.640 -0.331 10.867 1.00 0.00 C ATOM 675 CE LYS A 47 3.825 -0.874 11.684 1.00 0.00 C ATOM 676 NZ LYS A 47 3.482 -2.088 12.459 1.00 0.00 N ATOM 0 H LYS A 47 1.977 3.361 7.624 1.00 0.00 H new ATOM 0 HA LYS A 47 3.971 1.198 7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.356 1.641 8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.725 -0.005 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.110 0.628 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.098 1.748 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.862 0.027 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.203 -1.135 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.651 -1.101 11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.174 -0.100 12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.317 -2.409 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.713 -1.870 13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.175 -2.840 11.809 1.00 0.00 H new ATOM 690 N LEU A 48 2.893 -0.266 5.825 1.00 0.00 N ATOM 691 CA LEU A 48 2.362 -1.205 4.850 1.00 0.00 C ATOM 692 C LEU A 48 2.322 -2.560 5.561 1.00 0.00 C ATOM 693 O LEU A 48 3.152 -2.824 6.437 1.00 0.00 O ATOM 694 CB LEU A 48 3.270 -1.255 3.601 1.00 0.00 C ATOM 695 CG LEU A 48 2.561 -1.811 2.350 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.904 -0.685 1.550 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.509 -2.517 1.380 1.00 0.00 C ATOM 0 H LEU A 48 3.789 -0.571 6.204 1.00 0.00 H new ATOM 0 HA LEU A 48 1.371 -0.914 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.635 -0.251 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.142 -1.871 3.819 1.00 0.00 H new ATOM 0 HG LEU A 48 1.832 -2.523 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.410 -1.102 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.168 -0.177 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.665 0.028 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.945 -2.884 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.271 -1.815 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.988 -3.356 1.885 1.00 0.00 H new ATOM 709 N ILE A 49 1.387 -3.432 5.192 1.00 0.00 N ATOM 710 CA ILE A 49 1.316 -4.814 5.641 1.00 0.00 C ATOM 711 C ILE A 49 1.042 -5.637 4.399 1.00 0.00 C ATOM 712 O ILE A 49 0.219 -5.244 3.570 1.00 0.00 O ATOM 713 CB ILE A 49 0.216 -5.026 6.702 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.378 -4.056 7.884 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.244 -6.476 7.232 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.392 -2.729 7.785 1.00 0.00 C ATOM 0 H ILE A 49 0.634 -3.184 4.550 1.00 0.00 H new ATOM 0 HA ILE A 49 2.246 -5.110 6.126 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.740 -4.831 6.217 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.062 -4.568 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.438 -3.829 7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.539 -6.605 7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.076 -7.168 6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.215 -6.679 7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.200 -2.130 8.675 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.063 -2.182 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.460 -2.933 7.709 1.00 0.00 H new ATOM 728 N LEU A 50 1.708 -6.781 4.268 1.00 0.00 N ATOM 729 CA LEU A 50 1.459 -7.740 3.202 1.00 0.00 C ATOM 730 C LEU A 50 0.849 -8.999 3.809 1.00 0.00 C ATOM 731 O LEU A 50 1.060 -9.285 4.993 1.00 0.00 O ATOM 732 CB LEU A 50 2.752 -8.023 2.417 1.00 0.00 C ATOM 733 CG LEU A 50 3.369 -6.775 1.752 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.476 -7.146 0.781 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.391 -5.894 0.973 1.00 0.00 C ATOM 0 H LEU A 50 2.446 -7.070 4.910 1.00 0.00 H new ATOM 0 HA LEU A 50 0.749 -7.333 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.486 -8.462 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.542 -8.766 1.647 1.00 0.00 H new ATOM 0 HG LEU A 50 3.738 -6.207 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.886 -6.241 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.265 -7.676 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.073 -7.788 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.926 -5.046 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.936 -6.476 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.613 -5.532 1.645 1.00 0.00 H new ATOM 747 N THR A 51 0.101 -9.754 3.012 1.00 0.00 N ATOM 748 CA THR A 51 -0.588 -10.967 3.451 1.00 0.00 C ATOM 749 C THR A 51 -0.209 -12.152 2.542 1.00 0.00 C ATOM 750 O THR A 51 -0.803 -13.224 2.626 1.00 0.00 O ATOM 751 CB THR A 51 -2.114 -10.715 3.577 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.775 -10.908 2.350 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.523 -9.310 4.048 1.00 0.00 C ATOM 0 H THR A 51 -0.048 -9.539 2.026 1.00 0.00 H new ATOM 0 HA THR A 51 -0.258 -11.243 4.453 1.00 0.00 H new ATOM 0 HB THR A 51 -2.405 -11.438 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.734 -10.743 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.610 -9.246 4.100 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.101 -9.120 5.035 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.149 -8.567 3.344 1.00 0.00 H new ATOM 761 N GLY A 52 0.757 -11.963 1.637 1.00 0.00 N ATOM 762 CA GLY A 52 1.236 -13.030 0.766 1.00 0.00 C ATOM 763 C GLY A 52 2.421 -13.732 1.407 1.00 0.00 C ATOM 764 O GLY A 52 2.883 -13.323 2.481 1.00 0.00 O ATOM 0 H GLY A 52 1.224 -11.068 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.435 -13.746 0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.526 -12.619 -0.201 1.00 0.00 H new ATOM 768 N GLU A 53 2.959 -14.740 0.729 1.00 0.00 N ATOM 769 CA GLU A 53 4.057 -15.553 1.241 1.00 0.00 C ATOM 770 C GLU A 53 5.238 -15.598 0.260 1.00 0.00 C ATOM 771 O GLU A 53 6.221 -16.281 0.542 1.00 0.00 O ATOM 772 CB GLU A 53 3.534 -16.949 1.625 1.00 0.00 C ATOM 773 CG GLU A 53 2.629 -16.897 2.870 1.00 0.00 C ATOM 774 CD GLU A 53 1.917 -18.216 3.206 1.00 0.00 C ATOM 775 OE1 GLU A 53 2.288 -19.301 2.698 1.00 0.00 O ATOM 776 OE2 GLU A 53 0.954 -18.176 4.006 1.00 0.00 O ATOM 0 H GLU A 53 2.643 -15.018 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 53 4.452 -15.090 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.978 -17.372 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.377 -17.613 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.232 -16.597 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.877 -16.122 2.723 1.00 0.00 H new ATOM 783 N ASP A 54 5.183 -14.868 -0.863 1.00 0.00 N ATOM 784 CA ASP A 54 6.254 -14.795 -1.862 1.00 0.00 C ATOM 785 C ASP A 54 6.250 -13.398 -2.496 1.00 0.00 C ATOM 786 O ASP A 54 5.166 -12.843 -2.694 1.00 0.00 O ATOM 787 CB ASP A 54 5.991 -15.849 -2.950 1.00 0.00 C ATOM 788 CG ASP A 54 7.203 -16.026 -3.858 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.361 -15.216 -4.793 1.00 0.00 O ATOM 790 OD2 ASP A 54 8.014 -16.944 -3.624 1.00 0.00 O ATOM 0 H ASP A 54 4.372 -14.299 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 54 7.220 -14.982 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.742 -16.802 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.128 -15.551 -3.546 1.00 0.00 H new ATOM 795 N PRO A 55 7.416 -12.821 -2.837 1.00 0.00 N ATOM 796 CA PRO A 55 7.496 -11.481 -3.421 1.00 0.00 C ATOM 797 C PRO A 55 7.005 -11.418 -4.869 1.00 0.00 C ATOM 798 O PRO A 55 6.539 -10.368 -5.318 1.00 0.00 O ATOM 799 CB PRO A 55 8.974 -11.099 -3.345 1.00 0.00 C ATOM 800 CG PRO A 55 9.714 -12.435 -3.269 1.00 0.00 C ATOM 801 CD PRO A 55 8.742 -13.337 -2.534 1.00 0.00 C ATOM 0 HA PRO A 55 6.847 -10.796 -2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.281 -10.525 -4.220 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.179 -10.482 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.948 -12.821 -4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.658 -12.341 -2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.844 -14.371 -2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.931 -13.323 -1.461 1.00 0.00 H new ATOM 809 N SER A 56 7.104 -12.531 -5.594 1.00 0.00 N ATOM 810 CA SER A 56 6.659 -12.667 -6.980 1.00 0.00 C ATOM 811 C SER A 56 5.130 -12.624 -7.077 1.00 0.00 C ATOM 812 O SER A 56 4.589 -12.434 -8.162 1.00 0.00 O ATOM 813 CB SER A 56 7.187 -13.977 -7.595 1.00 0.00 C ATOM 814 OG SER A 56 8.380 -14.432 -6.963 1.00 0.00 O ATOM 0 H SER A 56 7.509 -13.390 -5.221 1.00 0.00 H new ATOM 0 HA SER A 56 7.064 -11.825 -7.541 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.420 -14.748 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.377 -13.826 -8.658 1.00 0.00 H new ATOM 0 HG SER A 56 8.157 -15.115 -6.296 1.00 0.00 H new ATOM 820 N ALA A 57 4.418 -12.777 -5.951 1.00 0.00 N ATOM 821 CA ALA A 57 2.967 -12.690 -5.889 1.00 0.00 C ATOM 822 C ALA A 57 2.452 -11.246 -6.028 1.00 0.00 C ATOM 823 O ALA A 57 1.234 -11.016 -6.035 1.00 0.00 O ATOM 824 CB ALA A 57 2.505 -13.344 -4.579 1.00 0.00 C ATOM 0 H ALA A 57 4.850 -12.968 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 57 2.540 -13.223 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.419 -13.291 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.819 -14.388 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.949 -12.818 -3.734 1.00 0.00 H new ATOM 830 N TYR A 58 3.350 -10.266 -6.123 1.00 0.00 N ATOM 831 CA TYR A 58 3.053 -8.843 -6.175 1.00 0.00 C ATOM 832 C TYR A 58 3.729 -8.217 -7.392 1.00 0.00 C ATOM 833 O TYR A 58 4.625 -8.814 -7.993 1.00 0.00 O ATOM 834 CB TYR A 58 3.532 -8.191 -4.877 1.00 0.00 C ATOM 835 CG TYR A 58 2.719 -8.555 -3.645 1.00 0.00 C ATOM 836 CD1 TYR A 58 2.983 -9.742 -2.933 1.00 0.00 C ATOM 837 CD2 TYR A 58 1.761 -7.648 -3.157 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.301 -10.014 -1.733 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.101 -7.903 -1.946 1.00 0.00 C ATOM 840 CZ TYR A 58 1.362 -9.090 -1.229 1.00 0.00 C ATOM 841 OH TYR A 58 0.719 -9.326 -0.053 1.00 0.00 O ATOM 0 H TYR A 58 4.351 -10.457 -6.168 1.00 0.00 H new ATOM 0 HA TYR A 58 1.979 -8.684 -6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.571 -8.474 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.512 -7.108 -5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.711 -10.445 -3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.533 -6.753 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.497 -10.931 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.390 -7.188 -1.560 1.00 0.00 H new ATOM 0 HH TYR A 58 0.145 -8.562 0.165 1.00 0.00 H new ATOM 851 N SER A 59 3.313 -7.002 -7.745 1.00 0.00 N ATOM 852 CA SER A 59 3.744 -6.279 -8.929 1.00 0.00 C ATOM 853 C SER A 59 3.919 -4.827 -8.519 1.00 0.00 C ATOM 854 O SER A 59 2.982 -4.208 -8.021 1.00 0.00 O ATOM 855 CB SER A 59 2.678 -6.351 -10.011 1.00 0.00 C ATOM 856 OG SER A 59 2.182 -7.658 -10.201 1.00 0.00 O ATOM 0 H SER A 59 2.639 -6.477 -7.188 1.00 0.00 H new ATOM 0 HA SER A 59 4.667 -6.709 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.853 -5.689 -9.747 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.094 -5.985 -10.950 1.00 0.00 H new ATOM 0 HG SER A 59 1.500 -7.650 -10.904 1.00 0.00 H new ATOM 862 N ALA A 60 5.106 -4.293 -8.739 1.00 0.00 N ATOM 863 CA ALA A 60 5.562 -3.002 -8.215 1.00 0.00 C ATOM 864 C ALA A 60 6.096 -2.061 -9.313 1.00 0.00 C ATOM 865 O ALA A 60 6.486 -0.934 -9.026 1.00 0.00 O ATOM 866 CB ALA A 60 6.608 -3.295 -7.128 1.00 0.00 C ATOM 0 H ALA A 60 5.813 -4.758 -9.309 1.00 0.00 H new ATOM 0 HA ALA A 60 4.719 -2.459 -7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.973 -2.356 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.153 -3.890 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.441 -3.847 -7.564 1.00 0.00 H new ATOM 872 N GLY A 61 6.090 -2.528 -10.565 1.00 0.00 N ATOM 873 CA GLY A 61 6.487 -1.809 -11.766 1.00 0.00 C ATOM 874 C GLY A 61 7.964 -1.469 -11.674 1.00 0.00 C ATOM 875 O GLY A 61 8.805 -2.325 -11.948 1.00 0.00 O ATOM 0 H GLY A 61 5.787 -3.480 -10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.295 -2.418 -12.650 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.897 -0.899 -11.872 1.00 0.00 H new ATOM 879 N ASP A 62 8.253 -0.242 -11.259 1.00 0.00 N ATOM 880 CA ASP A 62 9.535 0.201 -10.712 1.00 0.00 C ATOM 881 C ASP A 62 9.343 1.305 -9.655 1.00 0.00 C ATOM 882 O ASP A 62 10.282 1.638 -8.934 1.00 0.00 O ATOM 883 CB ASP A 62 10.428 0.699 -11.851 1.00 0.00 C ATOM 884 CG ASP A 62 11.856 0.999 -11.384 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.591 0.054 -11.000 1.00 0.00 O ATOM 886 OD2 ASP A 62 12.255 2.189 -11.397 1.00 0.00 O ATOM 0 H ASP A 62 7.566 0.511 -11.296 1.00 0.00 H new ATOM 0 HA ASP A 62 10.013 -0.645 -10.218 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.457 -0.051 -12.641 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.993 1.600 -12.283 1.00 0.00 H new ATOM 891 N GLY A 63 8.133 1.849 -9.508 1.00 0.00 N ATOM 892 CA GLY A 63 7.862 3.113 -8.811 1.00 0.00 C ATOM 893 C GLY A 63 6.984 2.963 -7.567 1.00 0.00 C ATOM 894 O GLY A 63 6.327 3.923 -7.163 1.00 0.00 O ATOM 0 H GLY A 63 7.290 1.412 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.810 3.567 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.378 3.801 -9.504 1.00 0.00 H new ATOM 898 N LEU A 64 6.971 1.771 -6.965 1.00 0.00 N ATOM 899 CA LEU A 64 6.124 1.377 -5.841 1.00 0.00 C ATOM 900 C LEU A 64 6.035 2.424 -4.729 1.00 0.00 C ATOM 901 O LEU A 64 4.962 2.612 -4.156 1.00 0.00 O ATOM 902 CB LEU A 64 6.718 0.076 -5.274 1.00 0.00 C ATOM 903 CG LEU A 64 6.261 -0.343 -3.864 1.00 0.00 C ATOM 904 CD1 LEU A 64 4.773 -0.660 -3.783 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.052 -1.570 -3.414 1.00 0.00 C ATOM 0 H LEU A 64 7.586 1.015 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 64 5.105 1.255 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.479 -0.734 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.803 0.175 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 64 6.448 0.509 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.517 -0.948 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.197 0.221 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.538 -1.480 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.728 -1.866 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.878 -2.390 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.115 -1.330 -3.394 1.00 0.00 H new ATOM 917 N ARG A 65 7.157 3.018 -4.331 1.00 0.00 N ATOM 918 CA ARG A 65 7.296 3.762 -3.103 1.00 0.00 C ATOM 919 C ARG A 65 7.930 5.097 -3.509 1.00 0.00 C ATOM 920 O ARG A 65 9.017 5.452 -3.065 1.00 0.00 O ATOM 921 CB ARG A 65 8.071 2.836 -2.137 1.00 0.00 C ATOM 922 CG ARG A 65 8.581 3.447 -0.837 1.00 0.00 C ATOM 923 CD ARG A 65 9.306 2.457 0.094 1.00 0.00 C ATOM 924 NE ARG A 65 10.666 2.927 0.386 1.00 0.00 N ATOM 925 CZ ARG A 65 10.973 4.028 1.074 1.00 0.00 C ATOM 926 NH1 ARG A 65 10.175 4.448 2.050 1.00 0.00 N ATOM 927 NH2 ARG A 65 12.063 4.710 0.755 1.00 0.00 N ATOM 0 H ARG A 65 8.017 2.988 -4.879 1.00 0.00 H new ATOM 0 HA ARG A 65 6.391 4.031 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.424 1.997 -1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.926 2.428 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.261 4.265 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.738 3.881 -0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.746 2.346 1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.347 1.473 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 65 11.441 2.365 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.326 3.928 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.411 5.290 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.658 4.392 -0.010 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.307 5.553 1.274 1.00 0.00 H new ATOM 941 N ASP A 66 7.264 5.834 -4.396 1.00 0.00 N ATOM 942 CA ASP A 66 7.512 7.259 -4.612 1.00 0.00 C ATOM 943 C ASP A 66 6.297 8.033 -4.102 1.00 0.00 C ATOM 944 O ASP A 66 5.181 7.500 -4.050 1.00 0.00 O ATOM 945 CB ASP A 66 7.813 7.549 -6.090 1.00 0.00 C ATOM 946 CG ASP A 66 8.149 9.030 -6.305 1.00 0.00 C ATOM 947 OD1 ASP A 66 9.331 9.410 -6.122 1.00 0.00 O ATOM 948 OD2 ASP A 66 7.219 9.821 -6.582 1.00 0.00 O ATOM 0 H ASP A 66 6.528 5.454 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 66 8.395 7.580 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.648 6.932 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.952 7.276 -6.700 1.00 0.00 H new ATOM 953 N GLY A 67 6.505 9.283 -3.695 1.00 0.00 N ATOM 954 CA GLY A 67 5.445 10.219 -3.366 1.00 0.00 C ATOM 955 C GLY A 67 4.879 10.068 -1.952 1.00 0.00 C ATOM 956 O GLY A 67 4.159 10.972 -1.519 1.00 0.00 O ATOM 0 H GLY A 67 7.439 9.678 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.824 11.234 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.634 10.096 -4.083 1.00 0.00 H new ATOM 960 N ALA A 68 5.214 8.992 -1.233 1.00 0.00 N ATOM 961 CA ALA A 68 5.077 8.830 0.208 1.00 0.00 C ATOM 962 C ALA A 68 6.206 7.918 0.689 1.00 0.00 C ATOM 963 O ALA A 68 6.833 7.219 -0.111 1.00 0.00 O ATOM 964 CB ALA A 68 3.716 8.232 0.574 1.00 0.00 C ATOM 0 H ALA A 68 5.612 8.163 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 68 5.140 9.804 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.645 8.124 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.922 8.891 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.610 7.254 0.104 1.00 0.00 H new ATOM 970 N ASP A 69 6.439 7.886 2.000 1.00 0.00 N ATOM 971 CA ASP A 69 7.616 7.281 2.611 1.00 0.00 C ATOM 972 C ASP A 69 7.185 6.342 3.730 1.00 0.00 C ATOM 973 O ASP A 69 7.088 6.714 4.899 1.00 0.00 O ATOM 974 CB ASP A 69 8.568 8.364 3.116 1.00 0.00 C ATOM 975 CG ASP A 69 9.690 7.769 3.968 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.242 6.704 3.601 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.039 8.381 5.003 1.00 0.00 O ATOM 0 H ASP A 69 5.797 8.291 2.682 1.00 0.00 H new ATOM 0 HA ASP A 69 8.155 6.696 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.997 8.897 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.012 9.094 3.703 1.00 0.00 H new ATOM 982 N PHE A 70 6.896 5.103 3.341 1.00 0.00 N ATOM 983 CA PHE A 70 6.405 4.062 4.231 1.00 0.00 C ATOM 984 C PHE A 70 7.432 2.942 4.421 1.00 0.00 C ATOM 985 O PHE A 70 8.491 2.942 3.781 1.00 0.00 O ATOM 986 CB PHE A 70 5.053 3.567 3.701 1.00 0.00 C ATOM 987 CG PHE A 70 5.125 2.862 2.369 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.443 1.492 2.321 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.869 3.569 1.179 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.443 0.823 1.089 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.900 2.898 -0.054 1.00 0.00 C ATOM 992 CZ PHE A 70 5.156 1.517 -0.100 1.00 0.00 C ATOM 0 H PHE A 70 7.000 4.791 2.376 1.00 0.00 H new ATOM 0 HA PHE A 70 6.253 4.468 5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.616 2.889 4.434 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.378 4.418 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.686 0.959 3.228 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.649 4.626 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.665 -0.233 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.727 3.445 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.132 0.992 -1.043 1.00 0.00 H new ATOM 1002 N LEU A 71 7.105 2.000 5.307 1.00 0.00 N ATOM 1003 CA LEU A 71 7.866 0.828 5.727 1.00 0.00 C ATOM 1004 C LEU A 71 6.995 -0.415 5.481 1.00 0.00 C ATOM 1005 O LEU A 71 5.772 -0.311 5.409 1.00 0.00 O ATOM 1006 CB LEU A 71 8.209 1.022 7.218 1.00 0.00 C ATOM 1007 CG LEU A 71 9.247 0.047 7.808 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.640 0.341 7.255 1.00 0.00 C ATOM 1009 CD2 LEU A 71 9.344 0.178 9.331 1.00 0.00 C ATOM 0 H LEU A 71 6.211 2.046 5.795 1.00 0.00 H new ATOM 0 HA LEU A 71 8.794 0.699 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.576 2.039 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.289 0.934 7.796 1.00 0.00 H new ATOM 0 HG LEU A 71 8.915 -0.954 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.357 -0.359 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.631 0.232 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.927 1.360 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.086 -0.525 9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.641 1.194 9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.374 -0.042 9.778 1.00 0.00 H new ATOM 1021 N ILE A 72 7.616 -1.577 5.283 1.00 0.00 N ATOM 1022 CA ILE A 72 7.023 -2.788 4.716 1.00 0.00 C ATOM 1023 C ILE A 72 7.060 -3.886 5.780 1.00 0.00 C ATOM 1024 O ILE A 72 8.131 -4.429 6.061 1.00 0.00 O ATOM 1025 CB ILE A 72 7.749 -3.206 3.418 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.876 -2.060 2.385 1.00 0.00 C ATOM 1027 CG2 ILE A 72 7.060 -4.407 2.740 1.00 0.00 C ATOM 1028 CD1 ILE A 72 9.061 -2.345 1.471 1.00 0.00 C ATOM 0 H ILE A 72 8.598 -1.706 5.527 1.00 0.00 H new ATOM 0 HA ILE A 72 5.986 -2.603 4.436 1.00 0.00 H new ATOM 0 HB ILE A 72 8.753 -3.485 3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.960 -1.978 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.015 -1.107 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.600 -4.671 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.059 -5.258 3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.033 -4.143 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.158 -1.542 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.973 -2.406 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.902 -3.291 0.953 1.00 0.00 H new ATOM 1040 N CYS A 73 5.916 -4.261 6.367 1.00 0.00 N ATOM 1041 CA CYS A 73 5.862 -5.554 7.058 1.00 0.00 C ATOM 1042 C CYS A 73 5.766 -6.704 6.050 1.00 0.00 C ATOM 1043 O CYS A 73 5.186 -6.549 4.973 1.00 0.00 O ATOM 1044 CB CYS A 73 4.719 -5.656 8.077 1.00 0.00 C ATOM 1045 SG CYS A 73 5.308 -5.116 9.704 1.00 0.00 S ATOM 0 H CYS A 73 5.053 -3.717 6.379 1.00 0.00 H new ATOM 0 HA CYS A 73 6.793 -5.632 7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.879 -5.039 7.760 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.357 -6.683 8.132 1.00 0.00 H new ATOM 0 HG CYS A 73 6.143 -4.131 9.558 1.00 0.00 H new ATOM 1051 N VAL A 74 6.276 -7.872 6.429 1.00 0.00 N ATOM 1052 CA VAL A 74 6.024 -9.169 5.803 1.00 0.00 C ATOM 1053 C VAL A 74 5.912 -10.212 6.923 1.00 0.00 C ATOM 1054 O VAL A 74 6.379 -9.943 8.033 1.00 0.00 O ATOM 1055 CB VAL A 74 7.155 -9.522 4.813 1.00 0.00 C ATOM 1056 CG1 VAL A 74 7.133 -8.606 3.589 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.560 -9.487 5.432 1.00 0.00 C ATOM 0 H VAL A 74 6.911 -7.945 7.224 1.00 0.00 H new ATOM 0 HA VAL A 74 5.098 -9.145 5.228 1.00 0.00 H new ATOM 0 HB VAL A 74 6.952 -10.551 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.942 -8.882 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.178 -8.710 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.263 -7.571 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.298 -9.746 4.673 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.766 -8.486 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.615 -10.204 6.251 1.00 0.00 H new ATOM 1067 N PRO A 75 5.332 -11.403 6.696 1.00 0.00 N ATOM 1068 CA PRO A 75 5.464 -12.474 7.670 1.00 0.00 C ATOM 1069 C PRO A 75 6.928 -12.927 7.684 1.00 0.00 C ATOM 1070 O PRO A 75 7.593 -12.916 6.645 1.00 0.00 O ATOM 1071 CB PRO A 75 4.524 -13.583 7.188 1.00 0.00 C ATOM 1072 CG PRO A 75 4.486 -13.383 5.676 1.00 0.00 C ATOM 1073 CD PRO A 75 4.628 -11.868 5.505 1.00 0.00 C ATOM 0 HA PRO A 75 5.203 -12.179 8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.900 -14.571 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.532 -13.490 7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.296 -13.919 5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.553 -13.748 5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.186 -11.626 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.652 -11.391 5.415 1.00 0.00 H new ATOM 1081 N GLU A 76 7.409 -13.398 8.836 1.00 0.00 N ATOM 1082 CA GLU A 76 8.757 -13.951 8.992 1.00 0.00 C ATOM 1083 C GLU A 76 9.052 -15.046 7.953 1.00 0.00 C ATOM 1084 O GLU A 76 10.171 -15.170 7.455 1.00 0.00 O ATOM 1085 CB GLU A 76 8.983 -14.469 10.424 1.00 0.00 C ATOM 1086 CG GLU A 76 7.989 -15.545 10.890 1.00 0.00 C ATOM 1087 CD GLU A 76 8.511 -16.306 12.106 1.00 0.00 C ATOM 1088 OE1 GLU A 76 8.388 -15.818 13.246 1.00 0.00 O ATOM 1089 OE2 GLU A 76 9.019 -17.443 11.931 1.00 0.00 O ATOM 0 H GLU A 76 6.866 -13.406 9.699 1.00 0.00 H new ATOM 0 HA GLU A 76 9.461 -13.138 8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.993 -14.874 10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.931 -13.625 11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.035 -15.078 11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.802 -16.245 10.076 1.00 0.00 H new ATOM 1096 N GLU A 77 8.028 -15.805 7.567 1.00 0.00 N ATOM 1097 CA GLU A 77 8.090 -16.879 6.597 1.00 0.00 C ATOM 1098 C GLU A 77 8.574 -16.366 5.242 1.00 0.00 C ATOM 1099 O GLU A 77 9.421 -16.983 4.600 1.00 0.00 O ATOM 1100 CB GLU A 77 6.680 -17.470 6.487 1.00 0.00 C ATOM 1101 CG GLU A 77 6.731 -18.943 6.085 1.00 0.00 C ATOM 1102 CD GLU A 77 5.346 -19.593 6.034 1.00 0.00 C ATOM 1103 OE1 GLU A 77 4.496 -19.262 6.903 1.00 0.00 O ATOM 1104 OE2 GLU A 77 5.114 -20.426 5.122 1.00 0.00 O ATOM 0 H GLU A 77 7.090 -15.675 7.945 1.00 0.00 H new ATOM 0 HA GLU A 77 8.801 -17.641 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.164 -17.368 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.103 -16.909 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.205 -19.032 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.356 -19.487 6.793 1.00 0.00 H new ATOM 1111 N ALA A 78 8.071 -15.208 4.814 1.00 0.00 N ATOM 1112 CA ALA A 78 8.416 -14.621 3.533 1.00 0.00 C ATOM 1113 C ALA A 78 9.654 -13.720 3.637 1.00 0.00 C ATOM 1114 O ALA A 78 10.119 -13.233 2.615 1.00 0.00 O ATOM 1115 CB ALA A 78 7.216 -13.826 3.018 1.00 0.00 C ATOM 0 H ALA A 78 7.409 -14.652 5.355 1.00 0.00 H new ATOM 0 HA ALA A 78 8.662 -15.421 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.462 -13.379 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.361 -14.492 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.968 -13.039 3.730 1.00 0.00 H new ATOM 1121 N LEU A 79 10.179 -13.448 4.835 1.00 0.00 N ATOM 1122 CA LEU A 79 11.136 -12.368 5.075 1.00 0.00 C ATOM 1123 C LEU A 79 12.391 -12.478 4.207 1.00 0.00 C ATOM 1124 O LEU A 79 12.756 -11.533 3.508 1.00 0.00 O ATOM 1125 CB LEU A 79 11.481 -12.322 6.566 1.00 0.00 C ATOM 1126 CG LEU A 79 12.521 -11.254 6.953 1.00 0.00 C ATOM 1127 CD1 LEU A 79 12.074 -9.823 6.625 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.785 -11.356 8.455 1.00 0.00 C ATOM 0 H LEU A 79 9.948 -13.979 5.675 1.00 0.00 H new ATOM 0 HA LEU A 79 10.665 -11.429 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.567 -12.141 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.855 -13.300 6.869 1.00 0.00 H new ATOM 0 HG LEU A 79 13.419 -11.449 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.853 -9.121 6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.896 -9.734 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.155 -9.596 7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.520 -10.606 8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.857 -11.186 9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.167 -12.349 8.691 1.00 0.00 H new ATOM 1140 N ASP A 80 13.085 -13.614 4.258 1.00 0.00 N ATOM 1141 CA ASP A 80 14.320 -13.772 3.479 1.00 0.00 C ATOM 1142 C ASP A 80 14.022 -13.996 1.999 1.00 0.00 C ATOM 1143 O ASP A 80 14.763 -13.523 1.140 1.00 0.00 O ATOM 1144 CB ASP A 80 15.140 -14.945 3.985 1.00 0.00 C ATOM 1145 CG ASP A 80 16.541 -14.936 3.371 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.311 -13.974 3.600 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.942 -15.944 2.746 1.00 0.00 O ATOM 0 H ASP A 80 12.823 -14.426 4.817 1.00 0.00 H new ATOM 0 HA ASP A 80 14.885 -12.848 3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.214 -14.900 5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.636 -15.880 3.738 1.00 0.00 H new ATOM 1152 N ARG A 81 12.906 -14.673 1.716 1.00 0.00 N ATOM 1153 CA ARG A 81 12.269 -14.804 0.405 1.00 0.00 C ATOM 1154 C ARG A 81 12.216 -13.436 -0.273 1.00 0.00 C ATOM 1155 O ARG A 81 12.675 -13.272 -1.399 1.00 0.00 O ATOM 1156 CB ARG A 81 10.861 -15.406 0.622 1.00 0.00 C ATOM 1157 CG ARG A 81 10.547 -16.653 -0.207 1.00 0.00 C ATOM 1158 CD ARG A 81 9.501 -17.524 0.510 1.00 0.00 C ATOM 1159 NE ARG A 81 10.129 -18.251 1.626 1.00 0.00 N ATOM 1160 CZ ARG A 81 9.597 -19.191 2.416 1.00 0.00 C ATOM 1161 NH1 ARG A 81 8.358 -19.611 2.237 1.00 0.00 N ATOM 1162 NH2 ARG A 81 10.318 -19.728 3.390 1.00 0.00 N ATOM 0 H ARG A 81 12.393 -15.174 2.441 1.00 0.00 H new ATOM 0 HA ARG A 81 12.834 -15.465 -0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.749 -15.654 1.677 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.118 -14.642 0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.175 -16.361 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.458 -17.228 -0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.690 -16.899 0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.061 -18.231 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 81 11.099 -18.005 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.790 -19.218 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.969 -20.328 2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.281 -19.425 3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.910 -20.444 3.991 1.00 0.00 H new ATOM 1176 N TYR A 82 11.696 -12.436 0.432 1.00 0.00 N ATOM 1177 CA TYR A 82 11.603 -11.068 -0.039 1.00 0.00 C ATOM 1178 C TYR A 82 12.992 -10.448 -0.238 1.00 0.00 C ATOM 1179 O TYR A 82 13.235 -9.765 -1.242 1.00 0.00 O ATOM 1180 CB TYR A 82 10.754 -10.259 0.960 1.00 0.00 C ATOM 1181 CG TYR A 82 9.274 -10.214 0.621 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.506 -11.391 0.535 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.665 -8.977 0.343 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.145 -11.335 0.191 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.319 -8.911 -0.031 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.552 -10.090 -0.103 1.00 0.00 C ATOM 1187 OH TYR A 82 5.245 -10.026 -0.457 1.00 0.00 O ATOM 0 H TYR A 82 11.319 -12.564 1.371 1.00 0.00 H new ATOM 0 HA TYR A 82 11.119 -11.051 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.875 -10.688 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.137 -9.239 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.968 -12.346 0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.243 -8.068 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.557 -12.240 0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.869 -7.958 -0.264 1.00 0.00 H new ATOM 0 HH TYR A 82 5.174 -9.901 -1.426 1.00 0.00 H new ATOM 1197 N ARG A 83 13.914 -10.666 0.706 1.00 0.00 N ATOM 1198 CA ARG A 83 15.275 -10.131 0.639 1.00 0.00 C ATOM 1199 C ARG A 83 16.108 -10.737 -0.495 1.00 0.00 C ATOM 1200 O ARG A 83 17.132 -10.146 -0.847 1.00 0.00 O ATOM 1201 CB ARG A 83 15.999 -10.346 1.976 1.00 0.00 C ATOM 1202 CG ARG A 83 15.531 -9.402 3.099 1.00 0.00 C ATOM 1203 CD ARG A 83 16.214 -9.717 4.440 1.00 0.00 C ATOM 1204 NE ARG A 83 17.686 -9.742 4.316 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.562 -8.836 4.752 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.189 -7.909 5.620 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.820 -8.858 4.321 1.00 0.00 N ATOM 0 H ARG A 83 13.734 -11.222 1.542 1.00 0.00 H new ATOM 0 HA ARG A 83 15.174 -9.066 0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.851 -11.377 2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.070 -10.211 1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.744 -8.371 2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.450 -9.484 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.925 -8.970 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.864 -10.682 4.808 1.00 0.00 H new ATOM 0 HE ARG A 83 18.081 -10.552 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.227 -7.885 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.863 -7.219 5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.118 -9.570 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.487 -8.163 4.657 1.00 0.00 H new ATOM 1221 N ARG A 84 15.749 -11.902 -1.044 1.00 0.00 N ATOM 1222 CA ARG A 84 16.560 -12.619 -2.037 1.00 0.00 C ATOM 1223 C ARG A 84 16.026 -12.467 -3.472 1.00 0.00 C ATOM 1224 O ARG A 84 16.358 -13.281 -4.336 1.00 0.00 O ATOM 1225 CB ARG A 84 16.822 -14.055 -1.555 1.00 0.00 C ATOM 1226 CG ARG A 84 15.626 -14.999 -1.658 1.00 0.00 C ATOM 1227 CD ARG A 84 15.872 -16.297 -0.881 1.00 0.00 C ATOM 1228 NE ARG A 84 14.939 -17.341 -1.333 1.00 0.00 N ATOM 1229 CZ ARG A 84 14.832 -18.601 -0.903 1.00 0.00 C ATOM 1230 NH1 ARG A 84 15.638 -19.099 0.027 1.00 0.00 N ATOM 1231 NH2 ARG A 84 13.883 -19.362 -1.424 1.00 0.00 N ATOM 0 H ARG A 84 14.879 -12.380 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 84 17.542 -12.151 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.646 -14.472 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.149 -14.019 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.735 -14.504 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.432 -15.231 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.900 -16.629 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.743 -16.121 0.187 1.00 0.00 H new ATOM 0 HE ARG A 84 14.290 -17.067 -2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.367 -18.515 0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.528 -20.066 0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.257 -18.982 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.777 -20.328 -1.115 1.00 0.00 H new ATOM 1245 N ASP A 85 15.191 -11.456 -3.720 1.00 0.00 N ATOM 1246 CA ASP A 85 14.572 -11.159 -5.014 1.00 0.00 C ATOM 1247 C ASP A 85 15.518 -10.363 -5.930 1.00 0.00 C ATOM 1248 O ASP A 85 16.515 -9.802 -5.468 1.00 0.00 O ATOM 1249 CB ASP A 85 13.308 -10.340 -4.727 1.00 0.00 C ATOM 1250 CG ASP A 85 12.336 -10.342 -5.901 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.561 -11.314 -6.025 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.331 -9.364 -6.678 1.00 0.00 O ATOM 0 H ASP A 85 14.916 -10.794 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 85 14.339 -12.088 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.810 -10.743 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.589 -9.313 -4.493 1.00 0.00 H new ATOM 1257 N TYR A 86 15.201 -10.264 -7.225 1.00 0.00 N ATOM 1258 CA TYR A 86 15.977 -9.493 -8.197 1.00 0.00 C ATOM 1259 C TYR A 86 15.495 -8.045 -8.277 1.00 0.00 C ATOM 1260 O TYR A 86 16.306 -7.147 -8.478 1.00 0.00 O ATOM 1261 CB TYR A 86 15.880 -10.150 -9.583 1.00 0.00 C ATOM 1262 CG TYR A 86 16.855 -9.598 -10.607 1.00 0.00 C ATOM 1263 CD1 TYR A 86 16.520 -8.453 -11.356 1.00 0.00 C ATOM 1264 CD2 TYR A 86 18.119 -10.196 -10.778 1.00 0.00 C ATOM 1265 CE1 TYR A 86 17.456 -7.880 -12.234 1.00 0.00 C ATOM 1266 CE2 TYR A 86 19.062 -9.626 -11.653 1.00 0.00 C ATOM 1267 CZ TYR A 86 18.738 -8.454 -12.374 1.00 0.00 C ATOM 1268 OH TYR A 86 19.686 -7.838 -13.126 1.00 0.00 O ATOM 0 H TYR A 86 14.386 -10.724 -7.631 1.00 0.00 H new ATOM 0 HA TYR A 86 17.015 -9.485 -7.866 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.051 -11.221 -9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.865 -10.025 -9.961 1.00 0.00 H new ATOM 0 HD1 TYR A 86 15.539 -8.013 -11.255 1.00 0.00 H new ATOM 0 HD2 TYR A 86 18.365 -11.096 -10.235 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.194 -7.000 -12.802 1.00 0.00 H new ATOM 0 HE2 TYR A 86 20.033 -10.084 -11.774 1.00 0.00 H new ATOM 0 HH TYR A 86 20.510 -8.369 -13.113 1.00 0.00 H new ATOM 1278 N PHE A 87 14.196 -7.808 -8.120 1.00 0.00 N ATOM 1279 CA PHE A 87 13.590 -6.486 -8.209 1.00 0.00 C ATOM 1280 C PHE A 87 13.550 -5.881 -6.812 1.00 0.00 C ATOM 1281 O PHE A 87 14.163 -4.840 -6.567 1.00 0.00 O ATOM 1282 CB PHE A 87 12.198 -6.642 -8.851 1.00 0.00 C ATOM 1283 CG PHE A 87 11.305 -5.418 -8.945 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.783 -4.106 -8.744 1.00 0.00 C ATOM 1285 CD2 PHE A 87 9.946 -5.608 -9.255 1.00 0.00 C ATOM 1286 CE1 PHE A 87 10.910 -3.010 -8.812 1.00 0.00 C ATOM 1287 CE2 PHE A 87 9.073 -4.514 -9.333 1.00 0.00 C ATOM 1288 CZ PHE A 87 9.553 -3.218 -9.087 1.00 0.00 C ATOM 0 H PHE A 87 13.521 -8.547 -7.923 1.00 0.00 H new ATOM 0 HA PHE A 87 14.164 -5.804 -8.836 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.339 -7.028 -9.860 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.658 -7.405 -8.291 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.830 -3.944 -8.536 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.572 -6.605 -9.434 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.283 -2.009 -8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.033 -4.668 -9.582 1.00 0.00 H new ATOM 0 HZ PHE A 87 8.874 -2.379 -9.110 1.00 0.00 H new ATOM 1298 N TRP A 88 12.869 -6.555 -5.880 1.00 0.00 N ATOM 1299 CA TRP A 88 12.578 -6.016 -4.557 1.00 0.00 C ATOM 1300 C TRP A 88 13.816 -5.772 -3.683 1.00 0.00 C ATOM 1301 O TRP A 88 13.691 -5.177 -2.615 1.00 0.00 O ATOM 1302 CB TRP A 88 11.642 -6.968 -3.820 1.00 0.00 C ATOM 1303 CG TRP A 88 10.192 -6.958 -4.187 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.545 -7.811 -5.016 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.164 -6.105 -3.611 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.190 -7.524 -5.006 1.00 0.00 N ATOM 1307 CE2 TRP A 88 7.909 -6.443 -4.195 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.171 -5.105 -2.617 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.731 -5.762 -3.865 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 7.984 -4.463 -2.230 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.769 -4.779 -2.861 1.00 0.00 C ATOM 0 H TRP A 88 12.504 -7.496 -6.028 1.00 0.00 H new ATOM 0 HA TRP A 88 12.120 -5.041 -4.726 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.015 -7.982 -3.966 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.717 -6.751 -2.755 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.013 -8.594 -5.595 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.488 -8.046 -5.532 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.103 -4.829 -2.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.806 -5.989 -4.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.005 -3.723 -1.444 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.863 -4.266 -2.574 1.00 0.00 H new ATOM 1322 N GLN A 89 14.984 -6.281 -4.063 1.00 0.00 N ATOM 1323 CA GLN A 89 16.260 -6.172 -3.328 1.00 0.00 C ATOM 1324 C GLN A 89 16.588 -4.798 -2.759 1.00 0.00 C ATOM 1325 O GLN A 89 16.991 -4.637 -1.603 1.00 0.00 O ATOM 1326 CB GLN A 89 17.472 -6.700 -4.082 1.00 0.00 C ATOM 1327 CG GLN A 89 17.221 -6.529 -5.530 1.00 0.00 C ATOM 1328 CD GLN A 89 18.434 -6.585 -6.431 1.00 0.00 C ATOM 1329 OE1 GLN A 89 18.995 -5.546 -6.764 1.00 0.00 O ATOM 1330 NE2 GLN A 89 18.861 -7.768 -6.822 1.00 0.00 N ATOM 0 H GLN A 89 15.081 -6.807 -4.931 1.00 0.00 H new ATOM 0 HA GLN A 89 16.059 -6.829 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 89 18.371 -6.159 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.639 -7.751 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.521 -7.301 -5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.727 -5.569 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.370 -8.611 -6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.683 -7.841 -7.421 1.00 0.00 H new ATOM 1339 N THR A 90 16.382 -3.807 -3.606 1.00 0.00 N ATOM 1340 CA THR A 90 16.610 -2.398 -3.332 1.00 0.00 C ATOM 1341 C THR A 90 15.725 -1.929 -2.158 1.00 0.00 C ATOM 1342 O THR A 90 16.231 -1.329 -1.202 1.00 0.00 O ATOM 1343 CB THR A 90 16.437 -1.656 -4.674 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.790 -0.292 -4.627 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.041 -1.808 -5.250 1.00 0.00 C ATOM 0 H THR A 90 16.034 -3.970 -4.551 1.00 0.00 H new ATOM 0 HA THR A 90 17.617 -2.177 -2.977 1.00 0.00 H new ATOM 0 HB THR A 90 17.146 -2.148 -5.340 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.657 0.111 -5.510 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.976 -1.266 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.832 -2.864 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.312 -1.403 -4.548 1.00 0.00 H new ATOM 1353 N TYR A 91 14.448 -2.321 -2.137 1.00 0.00 N ATOM 1354 CA TYR A 91 13.485 -2.005 -1.086 1.00 0.00 C ATOM 1355 C TYR A 91 13.756 -2.772 0.223 1.00 0.00 C ATOM 1356 O TYR A 91 13.030 -2.578 1.199 1.00 0.00 O ATOM 1357 CB TYR A 91 12.044 -2.247 -1.592 1.00 0.00 C ATOM 1358 CG TYR A 91 11.662 -1.377 -2.779 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.183 -0.065 -2.567 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.902 -1.834 -4.092 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.076 0.823 -3.651 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.760 -0.957 -5.178 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.406 0.388 -4.950 1.00 0.00 C ATOM 1364 OH TYR A 91 11.376 1.263 -5.984 1.00 0.00 O ATOM 0 H TYR A 91 14.044 -2.889 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 91 13.602 -0.948 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.937 -3.295 -1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.345 -2.061 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.900 0.255 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.195 -2.860 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.741 1.837 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.921 -1.311 -6.185 1.00 0.00 H new ATOM 0 HH TYR A 91 11.631 0.802 -6.810 1.00 0.00 H new ATOM 1374 N ALA A 92 14.795 -3.617 0.320 1.00 0.00 N ATOM 1375 CA ALA A 92 15.017 -4.489 1.472 1.00 0.00 C ATOM 1376 C ALA A 92 15.237 -3.687 2.742 1.00 0.00 C ATOM 1377 O ALA A 92 14.867 -4.158 3.819 1.00 0.00 O ATOM 1378 CB ALA A 92 16.239 -5.383 1.276 1.00 0.00 C ATOM 0 H ALA A 92 15.506 -3.711 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 92 14.119 -5.100 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.371 -6.016 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.095 -6.009 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.125 -4.763 1.139 1.00 0.00 H new ATOM 1384 N ALA A 93 15.808 -2.481 2.620 1.00 0.00 N ATOM 1385 CA ALA A 93 16.107 -1.636 3.764 1.00 0.00 C ATOM 1386 C ALA A 93 14.843 -1.071 4.440 1.00 0.00 C ATOM 1387 O ALA A 93 14.951 -0.255 5.361 1.00 0.00 O ATOM 1388 CB ALA A 93 17.089 -0.524 3.369 1.00 0.00 C ATOM 0 H ALA A 93 16.072 -2.072 1.723 1.00 0.00 H new ATOM 0 HA ALA A 93 16.585 -2.267 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.302 0.099 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.015 -0.969 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.648 0.088 2.582 1.00 0.00 H new ATOM 1394 N TRP A 94 13.650 -1.481 3.995 1.00 0.00 N ATOM 1395 CA TRP A 94 12.361 -1.120 4.558 1.00 0.00 C ATOM 1396 C TRP A 94 11.527 -2.359 4.925 1.00 0.00 C ATOM 1397 O TRP A 94 10.360 -2.206 5.271 1.00 0.00 O ATOM 1398 CB TRP A 94 11.638 -0.169 3.583 1.00 0.00 C ATOM 1399 CG TRP A 94 12.338 1.144 3.399 1.00 0.00 C ATOM 1400 CD1 TRP A 94 12.097 2.257 4.123 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.448 1.485 2.513 1.00 0.00 C ATOM 1402 NE1 TRP A 94 12.990 3.247 3.768 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.860 2.820 2.790 1.00 0.00 C ATOM 1404 CE3 TRP A 94 14.168 0.792 1.519 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.934 3.430 2.124 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 15.241 1.393 0.833 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.629 2.708 1.141 1.00 0.00 C ATOM 0 H TRP A 94 13.562 -2.104 3.192 1.00 0.00 H new ATOM 0 HA TRP A 94 12.510 -0.593 5.500 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.542 -0.659 2.614 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.628 0.015 3.949 1.00 0.00 H new ATOM 0 HD1 TRP A 94 11.322 2.358 4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.004 4.180 4.179 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.890 -0.223 1.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.222 4.443 2.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.767 0.842 0.068 1.00 0.00 H new ATOM 0 HH2 TRP A 94 16.460 3.162 0.622 1.00 0.00 H new ATOM 1418 N ILE A 95 12.077 -3.579 4.858 1.00 0.00 N ATOM 1419 CA ILE A 95 11.324 -4.825 5.047 1.00 0.00 C ATOM 1420 C ILE A 95 11.603 -5.380 6.445 1.00 0.00 C ATOM 1421 O ILE A 95 12.735 -5.775 6.748 1.00 0.00 O ATOM 1422 CB ILE A 95 11.620 -5.842 3.919 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.252 -5.236 2.548 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.820 -7.142 4.133 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.563 -6.140 1.355 1.00 0.00 C ATOM 0 H ILE A 95 13.068 -3.729 4.669 1.00 0.00 H new ATOM 0 HA ILE A 95 10.256 -4.619 4.979 1.00 0.00 H new ATOM 0 HB ILE A 95 12.685 -6.074 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.188 -5.000 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.788 -4.295 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.043 -7.843 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.097 -7.586 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.753 -6.917 4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.273 -5.637 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.631 -6.356 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.006 -7.072 1.450 1.00 0.00 H new ATOM 1437 N GLN A 96 10.572 -5.450 7.290 1.00 0.00 N ATOM 1438 CA GLN A 96 10.607 -5.994 8.650 1.00 0.00 C ATOM 1439 C GLN A 96 9.582 -7.132 8.817 1.00 0.00 C ATOM 1440 O GLN A 96 8.585 -7.171 8.097 1.00 0.00 O ATOM 1441 CB GLN A 96 10.352 -4.890 9.703 1.00 0.00 C ATOM 1442 CG GLN A 96 9.272 -3.883 9.283 1.00 0.00 C ATOM 1443 CD GLN A 96 8.590 -3.112 10.415 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.471 -2.638 10.241 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.221 -2.911 11.561 1.00 0.00 N ATOM 0 H GLN A 96 9.645 -5.112 7.032 1.00 0.00 H new ATOM 0 HA GLN A 96 11.606 -6.399 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.057 -5.356 10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.283 -4.355 9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.722 -3.162 8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.505 -4.417 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.151 -3.304 11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.777 -2.363 12.298 1.00 0.00 H new ATOM 1454 N PRO A 97 9.801 -8.043 9.780 1.00 0.00 N ATOM 1455 CA PRO A 97 8.842 -9.076 10.159 1.00 0.00 C ATOM 1456 C PRO A 97 7.657 -8.495 10.952 1.00 0.00 C ATOM 1457 O PRO A 97 7.828 -7.572 11.756 1.00 0.00 O ATOM 1458 CB PRO A 97 9.644 -10.052 11.022 1.00 0.00 C ATOM 1459 CG PRO A 97 10.702 -9.160 11.672 1.00 0.00 C ATOM 1460 CD PRO A 97 11.008 -8.137 10.584 1.00 0.00 C ATOM 0 HA PRO A 97 8.402 -9.554 9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 97 9.016 -10.539 11.768 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.097 -10.841 10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.327 -8.685 12.578 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.589 -9.727 11.953 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.266 -7.171 11.017 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.858 -8.452 9.979 1.00 0.00 H new ATOM 1468 N MET A 98 6.475 -9.089 10.768 1.00 0.00 N ATOM 1469 CA MET A 98 5.237 -8.737 11.458 1.00 0.00 C ATOM 1470 C MET A 98 5.311 -9.027 12.964 1.00 0.00 C ATOM 1471 O MET A 98 6.171 -9.780 13.444 1.00 0.00 O ATOM 1472 CB MET A 98 4.055 -9.517 10.847 1.00 0.00 C ATOM 1473 CG MET A 98 3.501 -8.820 9.609 1.00 0.00 C ATOM 1474 SD MET A 98 1.838 -9.360 9.117 1.00 0.00 S ATOM 1475 CE MET A 98 2.244 -10.880 8.229 1.00 0.00 C ATOM 0 H MET A 98 6.352 -9.857 10.108 1.00 0.00 H new ATOM 0 HA MET A 98 5.089 -7.665 11.329 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.380 -10.523 10.583 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.265 -9.622 11.590 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.480 -7.746 9.792 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.184 -8.989 8.777 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.325 -11.395 7.951 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.810 -10.636 7.330 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.843 -11.527 8.870 1.00 0.00 H new