USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 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 47 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 73 CYS SG : rot -92:sc= -0.415 USER MOD Set 1.3: A 96 GLN : amide:sc= 1.29 K(o=2,f=-5.2!) USER MOD Single : A 11 MET CE :methyl 178:sc= -0.143 (180deg=-0.154) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= -1.83! (180deg=-1.92!) USER MOD Single : A 14 SER OG : rot -32:sc= 0.576 USER MOD Single : A 19 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.57) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0754 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 X(o=0,f=-0.0044) USER MOD Single : A 35 TYR OH : rot 130:sc= 0 USER MOD Single : A 38 MET CE :methyl 166:sc= -0.347 (180deg=-0.702) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 51 THR OG1 : rot 52:sc= 0.358 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 165:sc= -0.779 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -171:sc= 1.09 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) 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 -171:sc= -0.182 (180deg=-0.326) USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 7 -9.921 4.633 1.461 1.00 0.00 N ATOM 74 CA PRO A 7 -8.668 4.236 0.830 1.00 0.00 C ATOM 75 C PRO A 7 -8.370 2.787 1.269 1.00 0.00 C ATOM 76 O PRO A 7 -8.066 2.551 2.442 1.00 0.00 O ATOM 77 CB PRO A 7 -7.619 5.262 1.313 1.00 0.00 C ATOM 78 CG PRO A 7 -8.174 5.700 2.667 1.00 0.00 C ATOM 79 CD PRO A 7 -9.683 5.650 2.479 1.00 0.00 C ATOM 0 HA PRO A 7 -8.682 4.239 -0.260 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.629 4.815 1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.526 6.101 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.849 5.034 3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.838 6.703 2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.185 5.395 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.070 6.619 2.163 1.00 0.00 H new ATOM 87 N VAL A 8 -8.511 1.816 0.367 1.00 0.00 N ATOM 88 CA VAL A 8 -8.179 0.412 0.613 1.00 0.00 C ATOM 89 C VAL A 8 -7.809 -0.257 -0.706 1.00 0.00 C ATOM 90 O VAL A 8 -8.103 0.236 -1.798 1.00 0.00 O ATOM 91 CB VAL A 8 -9.352 -0.286 1.356 1.00 0.00 C ATOM 92 CG1 VAL A 8 -10.647 -0.302 0.533 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.066 -1.721 1.821 1.00 0.00 C ATOM 0 H VAL A 8 -8.866 1.986 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.310 0.328 1.266 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.473 0.333 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.432 -0.801 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.952 0.721 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.478 -0.837 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.944 -2.121 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.831 -2.343 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.220 -1.719 2.508 1.00 0.00 H new ATOM 103 N VAL A 9 -7.186 -1.423 -0.622 1.00 0.00 N ATOM 104 CA VAL A 9 -7.094 -2.371 -1.705 1.00 0.00 C ATOM 105 C VAL A 9 -8.482 -3.033 -1.848 1.00 0.00 C ATOM 106 O VAL A 9 -8.668 -4.174 -1.432 1.00 0.00 O ATOM 107 CB VAL A 9 -5.908 -3.343 -1.446 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.670 -4.291 -2.625 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.553 -2.672 -1.171 1.00 0.00 C ATOM 0 H VAL A 9 -6.720 -1.738 0.229 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.861 -1.910 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.233 -3.868 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.832 -4.951 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.565 -4.888 -2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.443 -3.710 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.795 -3.437 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.269 -2.061 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.633 -2.041 -0.286 1.00 0.00 H new ATOM 119 N GLY A 10 -9.450 -2.346 -2.482 1.00 0.00 N ATOM 120 CA GLY A 10 -10.556 -3.007 -3.180 1.00 0.00 C ATOM 121 C GLY A 10 -10.010 -3.480 -4.533 1.00 0.00 C ATOM 122 O GLY A 10 -8.802 -3.333 -4.758 1.00 0.00 O ATOM 0 H GLY A 10 -9.484 -1.327 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.931 -3.850 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.390 -2.320 -3.319 1.00 0.00 H new ATOM 126 N MET A 11 -10.841 -3.893 -5.497 1.00 0.00 N ATOM 127 CA MET A 11 -10.327 -4.321 -6.803 1.00 0.00 C ATOM 128 C MET A 11 -9.406 -3.274 -7.471 1.00 0.00 C ATOM 129 O MET A 11 -8.282 -3.600 -7.844 1.00 0.00 O ATOM 130 CB MET A 11 -11.483 -4.695 -7.750 1.00 0.00 C ATOM 131 CG MET A 11 -11.958 -6.133 -7.511 1.00 0.00 C ATOM 132 SD MET A 11 -11.328 -7.346 -8.705 1.00 0.00 S ATOM 133 CE MET A 11 -9.544 -7.299 -8.386 1.00 0.00 C ATOM 0 H MET A 11 -11.855 -3.940 -5.401 1.00 0.00 H new ATOM 0 HA MET A 11 -9.714 -5.202 -6.613 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.314 -4.006 -7.602 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.158 -4.585 -8.785 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.657 -6.439 -6.509 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.048 -6.151 -7.536 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.041 -8.023 -9.027 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.163 -6.300 -8.598 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.355 -7.546 -7.341 1.00 0.00 H new ATOM 143 N ASP A 12 -9.830 -2.015 -7.655 1.00 0.00 N ATOM 144 CA ASP A 12 -9.173 -1.154 -8.655 1.00 0.00 C ATOM 145 C ASP A 12 -8.020 -0.408 -7.997 1.00 0.00 C ATOM 146 O ASP A 12 -8.221 0.342 -7.034 1.00 0.00 O ATOM 147 CB ASP A 12 -10.131 -0.156 -9.305 1.00 0.00 C ATOM 148 CG ASP A 12 -9.470 0.494 -10.514 1.00 0.00 C ATOM 149 OD1 ASP A 12 -9.331 -0.158 -11.575 1.00 0.00 O ATOM 150 OD2 ASP A 12 -9.070 1.674 -10.405 1.00 0.00 O ATOM 0 H ASP A 12 -10.598 -1.579 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.807 -1.803 -9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.046 -0.664 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.417 0.608 -8.583 1.00 0.00 H new ATOM 155 N LYS A 13 -6.777 -0.677 -8.393 1.00 0.00 N ATOM 156 CA LYS A 13 -5.602 -0.003 -7.841 1.00 0.00 C ATOM 157 C LYS A 13 -5.453 1.351 -8.526 1.00 0.00 C ATOM 158 O LYS A 13 -4.820 1.437 -9.572 1.00 0.00 O ATOM 159 CB LYS A 13 -4.337 -0.868 -7.993 1.00 0.00 C ATOM 160 CG LYS A 13 -4.368 -2.221 -7.269 1.00 0.00 C ATOM 161 CD LYS A 13 -4.619 -2.167 -5.762 1.00 0.00 C ATOM 162 CE LYS A 13 -6.083 -2.564 -5.501 1.00 0.00 C ATOM 163 NZ LYS A 13 -6.982 -1.425 -5.238 1.00 0.00 N ATOM 0 H LYS A 13 -6.555 -1.370 -9.108 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.736 0.153 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.167 -1.048 -9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.483 -0.299 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.143 -2.837 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.417 -2.725 -7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.943 -2.844 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.424 -1.165 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.457 -3.116 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.117 -3.243 -4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.908 -1.779 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.571 -0.823 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.101 -0.869 -6.109 1.00 0.00 H new ATOM 177 N SER A 14 -6.086 2.389 -7.976 1.00 0.00 N ATOM 178 CA SER A 14 -5.995 3.742 -8.523 1.00 0.00 C ATOM 179 C SER A 14 -6.279 4.835 -7.484 1.00 0.00 C ATOM 180 O SER A 14 -6.265 6.010 -7.843 1.00 0.00 O ATOM 181 CB SER A 14 -7.007 3.835 -9.676 1.00 0.00 C ATOM 182 OG SER A 14 -6.930 5.057 -10.380 1.00 0.00 O ATOM 0 H SER A 14 -6.672 2.316 -7.144 1.00 0.00 H new ATOM 0 HA SER A 14 -4.974 3.914 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.837 3.011 -10.369 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.015 3.714 -9.278 1.00 0.00 H new ATOM 0 HG SER A 14 -6.668 5.773 -9.764 1.00 0.00 H new ATOM 188 N LEU A 15 -6.621 4.491 -6.236 1.00 0.00 N ATOM 189 CA LEU A 15 -7.469 5.333 -5.382 1.00 0.00 C ATOM 190 C LEU A 15 -6.815 5.637 -4.029 1.00 0.00 C ATOM 191 O LEU A 15 -7.519 5.826 -3.036 1.00 0.00 O ATOM 192 CB LEU A 15 -8.838 4.650 -5.176 1.00 0.00 C ATOM 193 CG LEU A 15 -9.550 4.133 -6.436 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.863 3.479 -6.021 1.00 0.00 C ATOM 195 CD2 LEU A 15 -9.849 5.228 -7.460 1.00 0.00 C ATOM 0 H LEU A 15 -6.319 3.624 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.606 6.288 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.700 3.810 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.500 5.359 -4.678 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.875 3.424 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.380 3.107 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.658 2.649 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.491 4.213 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.352 4.792 -8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.493 5.983 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.916 5.692 -7.780 1.00 0.00 H new ATOM 207 N PHE A 16 -5.480 5.606 -3.958 1.00 0.00 N ATOM 208 CA PHE A 16 -4.713 5.603 -2.709 1.00 0.00 C ATOM 209 C PHE A 16 -4.102 6.974 -2.412 1.00 0.00 C ATOM 210 O PHE A 16 -4.072 7.394 -1.253 1.00 0.00 O ATOM 211 CB PHE A 16 -3.612 4.542 -2.778 1.00 0.00 C ATOM 212 CG PHE A 16 -4.088 3.109 -2.741 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.815 2.575 -3.818 1.00 0.00 C ATOM 214 CD2 PHE A 16 -3.740 2.284 -1.659 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.218 1.238 -3.813 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.125 0.934 -1.660 1.00 0.00 C ATOM 217 CZ PHE A 16 -4.866 0.415 -2.734 1.00 0.00 C ATOM 0 H PHE A 16 -4.889 5.582 -4.789 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.401 5.366 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.042 4.694 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.926 4.700 -1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.065 3.205 -4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.178 2.687 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.796 0.841 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.851 0.294 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.166 -0.622 -2.729 1.00 0.00 H new ATOM 227 N ALA A 17 -3.648 7.695 -3.437 1.00 0.00 N ATOM 228 CA ALA A 17 -3.147 9.063 -3.361 1.00 0.00 C ATOM 229 C ALA A 17 -4.258 10.098 -3.131 1.00 0.00 C ATOM 230 O ALA A 17 -4.140 11.251 -3.542 1.00 0.00 O ATOM 231 CB ALA A 17 -2.357 9.330 -4.647 1.00 0.00 C ATOM 0 H ALA A 17 -3.619 7.322 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.500 9.168 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.965 10.347 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.530 8.623 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.014 9.210 -5.509 1.00 0.00 H new ATOM 237 N GLY A 18 -5.343 9.710 -2.470 1.00 0.00 N ATOM 238 CA GLY A 18 -6.505 10.547 -2.232 1.00 0.00 C ATOM 239 C GLY A 18 -6.754 10.832 -0.755 1.00 0.00 C ATOM 240 O GLY A 18 -7.446 11.811 -0.484 1.00 0.00 O ATOM 0 H GLY A 18 -5.437 8.775 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.377 11.492 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.385 10.062 -2.654 1.00 0.00 H new ATOM 244 N ASN A 19 -6.259 10.035 0.204 1.00 0.00 N ATOM 245 CA ASN A 19 -6.461 10.367 1.613 1.00 0.00 C ATOM 246 C ASN A 19 -5.145 10.397 2.376 1.00 0.00 C ATOM 247 O ASN A 19 -4.461 9.383 2.489 1.00 0.00 O ATOM 248 CB ASN A 19 -7.429 9.377 2.244 1.00 0.00 C ATOM 249 CG ASN A 19 -7.870 9.877 3.610 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.186 11.052 3.780 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.892 9.008 4.605 1.00 0.00 N ATOM 0 H ASN A 19 -5.731 9.180 0.033 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.889 11.368 1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.297 9.244 1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.952 8.402 2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.176 9.308 5.538 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.625 8.037 4.440 1.00 0.00 H new ATOM 258 N THR A 20 -4.795 11.554 2.921 1.00 0.00 N ATOM 259 CA THR A 20 -3.544 11.865 3.607 1.00 0.00 C ATOM 260 C THR A 20 -3.445 11.259 5.022 1.00 0.00 C ATOM 261 O THR A 20 -2.687 11.776 5.839 1.00 0.00 O ATOM 262 CB THR A 20 -3.443 13.406 3.645 1.00 0.00 C ATOM 263 OG1 THR A 20 -4.648 13.961 4.134 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.198 14.010 2.259 1.00 0.00 C ATOM 0 H THR A 20 -5.421 12.359 2.894 1.00 0.00 H new ATOM 0 HA THR A 20 -2.711 11.416 3.066 1.00 0.00 H new ATOM 0 HB THR A 20 -2.600 13.640 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.573 14.938 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.135 15.095 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.264 13.622 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.021 13.743 1.595 1.00 0.00 H new ATOM 272 N VAL A 21 -4.248 10.248 5.383 1.00 0.00 N ATOM 273 CA VAL A 21 -4.541 9.936 6.793 1.00 0.00 C ATOM 274 C VAL A 21 -4.579 8.416 7.038 1.00 0.00 C ATOM 275 O VAL A 21 -4.944 7.953 8.120 1.00 0.00 O ATOM 276 CB VAL A 21 -5.869 10.616 7.228 1.00 0.00 C ATOM 277 CG1 VAL A 21 -5.879 10.875 8.744 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.153 11.968 6.561 1.00 0.00 C ATOM 0 H VAL A 21 -4.709 9.629 4.716 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.734 10.336 7.407 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.636 9.908 6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.818 11.351 9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.779 9.929 9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.047 11.529 9.007 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.100 12.363 6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.351 12.667 6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.209 11.836 5.480 1.00 0.00 H new ATOM 288 N ILE A 22 -4.229 7.609 6.041 1.00 0.00 N ATOM 289 CA ILE A 22 -4.215 6.159 6.138 1.00 0.00 C ATOM 290 C ILE A 22 -2.810 5.740 6.555 1.00 0.00 C ATOM 291 O ILE A 22 -1.901 5.627 5.729 1.00 0.00 O ATOM 292 CB ILE A 22 -4.758 5.528 4.844 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.629 3.996 4.920 1.00 0.00 C ATOM 294 CG2 ILE A 22 -4.159 6.105 3.547 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.061 3.302 3.631 1.00 0.00 C ATOM 0 H ILE A 22 -3.942 7.955 5.126 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.891 5.781 6.905 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.812 5.797 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.594 3.733 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.234 3.625 5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.600 5.601 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.373 7.172 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.080 5.950 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.948 2.224 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.104 3.538 3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.439 3.648 2.805 1.00 0.00 H new ATOM 307 N ARG A 23 -2.630 5.559 7.862 1.00 0.00 N ATOM 308 CA ARG A 23 -1.350 5.163 8.440 1.00 0.00 C ATOM 309 C ARG A 23 -1.044 3.693 8.223 1.00 0.00 C ATOM 310 O ARG A 23 0.119 3.333 8.385 1.00 0.00 O ATOM 311 CB ARG A 23 -1.278 5.584 9.921 1.00 0.00 C ATOM 312 CG ARG A 23 -0.883 7.067 10.001 1.00 0.00 C ATOM 313 CD ARG A 23 -0.708 7.594 11.425 1.00 0.00 C ATOM 314 NE ARG A 23 -0.108 8.937 11.377 1.00 0.00 N ATOM 315 CZ ARG A 23 -0.167 9.894 12.305 1.00 0.00 C ATOM 316 NH1 ARG A 23 -0.771 9.694 13.471 1.00 0.00 N ATOM 317 NH2 ARG A 23 0.406 11.065 12.056 1.00 0.00 N ATOM 0 H ARG A 23 -3.371 5.684 8.551 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.560 5.696 7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.242 5.424 10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.549 4.971 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.049 7.213 9.455 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.645 7.662 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.672 7.632 11.932 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.072 6.920 11.999 1.00 0.00 H new ATOM 0 HE ARG A 23 0.416 9.164 10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.203 8.793 13.673 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.802 10.442 14.164 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.881 11.221 11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.371 11.808 12.753 1.00 0.00 H new ATOM 331 N GLU A 24 -2.014 2.869 7.820 1.00 0.00 N ATOM 332 CA GLU A 24 -1.815 1.434 7.685 1.00 0.00 C ATOM 333 C GLU A 24 -2.527 0.926 6.446 1.00 0.00 C ATOM 334 O GLU A 24 -3.686 1.270 6.227 1.00 0.00 O ATOM 335 CB GLU A 24 -2.364 0.705 8.929 1.00 0.00 C ATOM 336 CG GLU A 24 -1.230 0.056 9.718 1.00 0.00 C ATOM 337 CD GLU A 24 -1.678 -0.806 10.916 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.746 -1.465 10.862 1.00 0.00 O ATOM 339 OE2 GLU A 24 -0.911 -0.843 11.914 1.00 0.00 O ATOM 0 H GLU A 24 -2.955 3.182 7.580 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.747 1.236 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.898 1.411 9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.083 -0.055 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.646 -0.567 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.566 0.840 10.082 1.00 0.00 H new ATOM 346 N ILE A 25 -1.859 0.069 5.674 1.00 0.00 N ATOM 347 CA ILE A 25 -2.371 -0.493 4.425 1.00 0.00 C ATOM 348 C ILE A 25 -2.071 -1.996 4.401 1.00 0.00 C ATOM 349 O ILE A 25 -1.006 -2.419 3.954 1.00 0.00 O ATOM 350 CB ILE A 25 -1.790 0.239 3.188 1.00 0.00 C ATOM 351 CG1 ILE A 25 -1.669 1.762 3.389 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.615 -0.123 1.939 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.356 2.573 2.135 1.00 0.00 C ATOM 0 H ILE A 25 -0.923 -0.262 5.906 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.450 -0.348 4.377 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.766 -0.107 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.604 2.129 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.889 1.952 4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.205 0.392 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.573 -1.200 1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.651 0.182 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.293 3.630 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.405 2.244 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.146 2.425 1.399 1.00 0.00 H new ATOM 365 N THR A 26 -2.982 -2.822 4.900 1.00 0.00 N ATOM 366 CA THR A 26 -2.947 -4.259 4.642 1.00 0.00 C ATOM 367 C THR A 26 -3.196 -4.488 3.132 1.00 0.00 C ATOM 368 O THR A 26 -4.006 -3.777 2.527 1.00 0.00 O ATOM 369 CB THR A 26 -3.987 -4.916 5.571 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.600 -4.738 6.928 1.00 0.00 O ATOM 371 CG2 THR A 26 -4.134 -6.430 5.386 1.00 0.00 C ATOM 0 H THR A 26 -3.759 -2.521 5.489 1.00 0.00 H new ATOM 0 HA THR A 26 -1.983 -4.718 4.862 1.00 0.00 H new ATOM 0 HB THR A 26 -4.930 -4.432 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.264 -5.155 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.885 -6.810 6.078 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.443 -6.643 4.363 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.179 -6.915 5.585 1.00 0.00 H new ATOM 379 N VAL A 27 -2.512 -5.459 2.508 1.00 0.00 N ATOM 380 CA VAL A 27 -2.719 -5.874 1.112 1.00 0.00 C ATOM 381 C VAL A 27 -2.718 -7.410 1.000 1.00 0.00 C ATOM 382 O VAL A 27 -2.256 -8.087 1.922 1.00 0.00 O ATOM 383 CB VAL A 27 -1.636 -5.269 0.185 1.00 0.00 C ATOM 384 CG1 VAL A 27 -2.071 -5.333 -1.290 1.00 0.00 C ATOM 385 CG2 VAL A 27 -1.231 -3.825 0.518 1.00 0.00 C ATOM 0 H VAL A 27 -1.778 -5.993 2.974 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.691 -5.499 0.791 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.757 -5.890 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.292 -4.901 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.234 -6.372 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.996 -4.771 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.469 -3.490 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.104 -3.176 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.833 -3.783 1.532 1.00 0.00 H new ATOM 395 N GLN A 28 -3.144 -7.968 -0.143 1.00 0.00 N ATOM 396 CA GLN A 28 -3.035 -9.394 -0.484 1.00 0.00 C ATOM 397 C GLN A 28 -2.089 -9.590 -1.669 1.00 0.00 C ATOM 398 O GLN A 28 -1.752 -8.604 -2.320 1.00 0.00 O ATOM 399 CB GLN A 28 -4.436 -9.913 -0.840 1.00 0.00 C ATOM 400 CG GLN A 28 -5.308 -10.125 0.399 1.00 0.00 C ATOM 401 CD GLN A 28 -6.719 -9.608 0.184 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.403 -9.968 -0.775 1.00 0.00 O ATOM 403 NE2 GLN A 28 -7.150 -8.714 1.055 1.00 0.00 N ATOM 0 H GLN A 28 -3.589 -7.421 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.632 -9.946 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.925 -9.204 -1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.346 -10.854 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.342 -11.187 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.859 -9.616 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.558 -8.438 1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.075 -8.299 0.945 1.00 0.00 H new ATOM 412 N PRO A 29 -1.602 -10.812 -1.932 1.00 0.00 N ATOM 413 CA PRO A 29 -0.775 -11.095 -3.096 1.00 0.00 C ATOM 414 C PRO A 29 -1.611 -10.981 -4.366 1.00 0.00 C ATOM 415 O PRO A 29 -2.825 -11.218 -4.324 1.00 0.00 O ATOM 416 CB PRO A 29 -0.221 -12.506 -2.881 1.00 0.00 C ATOM 417 CG PRO A 29 -1.196 -13.147 -1.895 1.00 0.00 C ATOM 418 CD PRO A 29 -1.697 -11.973 -1.070 1.00 0.00 C ATOM 0 HA PRO A 29 0.045 -10.386 -3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.177 -13.063 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.792 -12.479 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.013 -13.652 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.703 -13.893 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.725 -12.135 -0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.095 -11.842 -0.171 1.00 0.00 H new ATOM 426 N ASN A 30 -0.954 -10.676 -5.484 1.00 0.00 N ATOM 427 CA ASN A 30 -1.510 -10.606 -6.836 1.00 0.00 C ATOM 428 C ASN A 30 -2.854 -9.870 -6.858 1.00 0.00 C ATOM 429 O ASN A 30 -3.890 -10.469 -7.157 1.00 0.00 O ATOM 430 CB ASN A 30 -1.608 -12.001 -7.471 1.00 0.00 C ATOM 431 CG ASN A 30 -0.257 -12.683 -7.568 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.681 -12.156 -8.157 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.132 -13.878 -7.022 1.00 0.00 N ATOM 0 H ASN A 30 0.042 -10.458 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.821 -10.021 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.284 -12.620 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.042 -11.915 -8.467 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.755 -14.378 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.922 -14.302 -6.536 1.00 0.00 H new ATOM 440 N ILE A 31 -2.868 -8.579 -6.519 1.00 0.00 N ATOM 441 CA ILE A 31 -4.093 -7.778 -6.427 1.00 0.00 C ATOM 442 C ILE A 31 -3.829 -6.366 -6.984 1.00 0.00 C ATOM 443 O ILE A 31 -4.034 -5.332 -6.349 1.00 0.00 O ATOM 444 CB ILE A 31 -4.694 -7.929 -5.012 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.216 -7.678 -4.924 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.873 -7.187 -3.957 1.00 0.00 C ATOM 447 CD1 ILE A 31 -6.715 -6.294 -5.329 1.00 0.00 C ATOM 0 H ILE A 31 -2.022 -8.054 -6.298 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.899 -8.134 -7.069 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.610 -8.989 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.718 -8.416 -5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.531 -7.865 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.333 -7.321 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.858 -7.585 -3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.842 -6.125 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.799 -6.252 -5.221 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.257 -5.540 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.446 -6.100 -6.367 1.00 0.00 H new ATOM 459 N GLY A 32 -3.360 -6.342 -8.227 1.00 0.00 N ATOM 460 CA GLY A 32 -3.149 -5.154 -9.028 1.00 0.00 C ATOM 461 C GLY A 32 -1.807 -4.494 -8.750 1.00 0.00 C ATOM 462 O GLY A 32 -1.041 -4.897 -7.867 1.00 0.00 O ATOM 0 H GLY A 32 -3.106 -7.196 -8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.209 -5.417 -10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.949 -4.440 -8.831 1.00 0.00 H new ATOM 466 N LEU A 33 -1.502 -3.490 -9.566 1.00 0.00 N ATOM 467 CA LEU A 33 -0.142 -3.040 -9.812 1.00 0.00 C ATOM 468 C LEU A 33 0.175 -1.731 -9.122 1.00 0.00 C ATOM 469 O LEU A 33 -0.529 -0.727 -9.225 1.00 0.00 O ATOM 470 CB LEU A 33 0.087 -2.936 -11.329 1.00 0.00 C ATOM 471 CG LEU A 33 1.473 -2.409 -11.748 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.602 -3.356 -11.333 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.505 -2.229 -13.265 1.00 0.00 C ATOM 0 H LEU A 33 -2.205 -2.960 -10.081 1.00 0.00 H new ATOM 0 HA LEU A 33 0.540 -3.776 -9.385 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.058 -3.922 -11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.676 -2.282 -11.752 1.00 0.00 H new ATOM 0 HG LEU A 33 1.632 -1.458 -11.240 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.559 -2.942 -11.650 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.598 -3.474 -10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.453 -4.328 -11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.484 -1.856 -13.567 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.317 -3.187 -13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.737 -1.515 -13.563 1.00 0.00 H new ATOM 485 N LEU A 34 1.322 -1.766 -8.456 1.00 0.00 N ATOM 486 CA LEU A 34 1.898 -0.683 -7.709 1.00 0.00 C ATOM 487 C LEU A 34 2.681 0.209 -8.667 1.00 0.00 C ATOM 488 O LEU A 34 3.915 0.238 -8.628 1.00 0.00 O ATOM 489 CB LEU A 34 2.746 -1.270 -6.569 1.00 0.00 C ATOM 490 CG LEU A 34 1.843 -1.913 -5.521 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.524 -3.395 -5.720 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.516 -1.783 -4.162 1.00 0.00 C ATOM 0 H LEU A 34 1.900 -2.606 -8.429 1.00 0.00 H new ATOM 0 HA LEU A 34 1.139 -0.053 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.440 -2.011 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.346 -0.484 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 34 0.895 -1.382 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.876 -3.739 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.019 -3.533 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.450 -3.971 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.885 -2.238 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.481 -2.290 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.665 -0.729 -3.929 1.00 0.00 H new ATOM 504 N TYR A 35 1.972 0.886 -9.576 1.00 0.00 N ATOM 505 CA TYR A 35 2.589 1.817 -10.515 1.00 0.00 C ATOM 506 C TYR A 35 3.179 3.010 -9.760 1.00 0.00 C ATOM 507 O TYR A 35 2.885 3.257 -8.585 1.00 0.00 O ATOM 508 CB TYR A 35 1.603 2.259 -11.609 1.00 0.00 C ATOM 509 CG TYR A 35 0.402 3.062 -11.136 1.00 0.00 C ATOM 510 CD1 TYR A 35 0.470 4.467 -11.033 1.00 0.00 C ATOM 511 CD2 TYR A 35 -0.803 2.403 -10.834 1.00 0.00 C ATOM 512 CE1 TYR A 35 -0.644 5.209 -10.595 1.00 0.00 C ATOM 513 CE2 TYR A 35 -1.923 3.140 -10.420 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.850 4.543 -10.281 1.00 0.00 C ATOM 515 OH TYR A 35 -2.938 5.213 -9.815 1.00 0.00 O ATOM 0 H TYR A 35 0.961 0.802 -9.678 1.00 0.00 H new ATOM 0 HA TYR A 35 3.403 1.302 -11.025 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.147 2.854 -12.343 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.241 1.370 -12.125 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.385 4.979 -11.292 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.866 1.328 -10.921 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.577 6.283 -10.500 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.850 2.629 -10.206 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.727 4.960 -10.338 1.00 0.00 H new ATOM 525 N ASP A 36 4.066 3.734 -10.431 1.00 0.00 N ATOM 526 CA ASP A 36 4.726 4.916 -9.914 1.00 0.00 C ATOM 527 C ASP A 36 3.765 6.097 -9.979 1.00 0.00 C ATOM 528 O ASP A 36 3.394 6.551 -11.061 1.00 0.00 O ATOM 529 CB ASP A 36 6.076 5.149 -10.621 1.00 0.00 C ATOM 530 CG ASP A 36 6.035 5.227 -12.149 1.00 0.00 C ATOM 531 OD1 ASP A 36 5.620 4.235 -12.799 1.00 0.00 O ATOM 532 OD2 ASP A 36 6.519 6.248 -12.693 1.00 0.00 O ATOM 0 H ASP A 36 4.352 3.503 -11.382 1.00 0.00 H new ATOM 0 HA ASP A 36 4.984 4.781 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.505 6.077 -10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.754 4.344 -10.337 1.00 0.00 H new ATOM 537 N GLY A 37 3.313 6.541 -8.803 1.00 0.00 N ATOM 538 CA GLY A 37 2.408 7.664 -8.602 1.00 0.00 C ATOM 539 C GLY A 37 1.178 7.293 -7.771 1.00 0.00 C ATOM 540 O GLY A 37 0.520 8.188 -7.240 1.00 0.00 O ATOM 0 H GLY A 37 3.585 6.101 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.945 8.473 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.085 8.042 -9.572 1.00 0.00 H new ATOM 544 N MET A 38 0.889 5.994 -7.602 1.00 0.00 N ATOM 545 CA MET A 38 -0.276 5.446 -6.897 1.00 0.00 C ATOM 546 C MET A 38 -0.464 6.037 -5.498 1.00 0.00 C ATOM 547 O MET A 38 -1.597 6.192 -5.040 1.00 0.00 O ATOM 548 CB MET A 38 -0.112 3.916 -6.791 1.00 0.00 C ATOM 549 CG MET A 38 -1.350 3.099 -7.157 1.00 0.00 C ATOM 550 SD MET A 38 -2.354 2.368 -5.833 1.00 0.00 S ATOM 551 CE MET A 38 -1.532 0.764 -5.564 1.00 0.00 C ATOM 0 H MET A 38 1.494 5.261 -7.973 1.00 0.00 H new ATOM 0 HA MET A 38 -1.164 5.711 -7.471 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.710 3.610 -7.439 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.178 3.668 -5.770 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.004 3.741 -7.748 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.026 2.288 -7.809 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.882 0.328 -4.628 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.769 0.091 -6.388 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.453 0.912 -5.514 1.00 0.00 H new ATOM 561 N PHE A 39 0.646 6.358 -4.831 1.00 0.00 N ATOM 562 CA PHE A 39 0.705 6.884 -3.464 1.00 0.00 C ATOM 563 C PHE A 39 1.249 8.315 -3.381 1.00 0.00 C ATOM 564 O PHE A 39 1.506 8.782 -2.272 1.00 0.00 O ATOM 565 CB PHE A 39 1.552 5.956 -2.572 1.00 0.00 C ATOM 566 CG PHE A 39 1.271 4.473 -2.694 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.045 3.996 -2.796 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.336 3.563 -2.724 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.299 2.627 -2.965 1.00 0.00 C ATOM 570 CE2 PHE A 39 2.095 2.196 -2.923 1.00 0.00 C ATOM 571 CZ PHE A 39 0.777 1.732 -3.072 1.00 0.00 C ATOM 0 H PHE A 39 1.571 6.254 -5.247 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.324 6.917 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.604 6.126 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.402 6.249 -1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.871 4.690 -2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.348 3.916 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.315 2.264 -3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.921 1.501 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.592 0.686 -3.269 1.00 0.00 H new ATOM 581 N SER A 40 1.462 9.007 -4.503 1.00 0.00 N ATOM 582 CA SER A 40 1.985 10.368 -4.505 1.00 0.00 C ATOM 583 C SER A 40 0.985 11.277 -3.785 1.00 0.00 C ATOM 584 O SER A 40 -0.046 11.614 -4.357 1.00 0.00 O ATOM 585 CB SER A 40 2.291 10.795 -5.952 1.00 0.00 C ATOM 586 OG SER A 40 2.769 12.127 -6.073 1.00 0.00 O ATOM 0 H SER A 40 1.275 8.636 -5.434 1.00 0.00 H new ATOM 0 HA SER A 40 2.927 10.440 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.032 10.115 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.386 10.689 -6.550 1.00 0.00 H new ATOM 0 HG SER A 40 2.943 12.328 -7.016 1.00 0.00 H new ATOM 592 N GLY A 41 1.267 11.629 -2.525 1.00 0.00 N ATOM 593 CA GLY A 41 0.374 12.406 -1.672 1.00 0.00 C ATOM 594 C GLY A 41 -0.009 11.698 -0.370 1.00 0.00 C ATOM 595 O GLY A 41 -0.739 12.270 0.441 1.00 0.00 O ATOM 0 H GLY A 41 2.141 11.374 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.852 13.355 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.534 12.638 -2.229 1.00 0.00 H new ATOM 599 N CYS A 42 0.419 10.455 -0.122 1.00 0.00 N ATOM 600 CA CYS A 42 0.164 9.795 1.155 1.00 0.00 C ATOM 601 C CYS A 42 1.136 10.337 2.215 1.00 0.00 C ATOM 602 O CYS A 42 2.135 9.689 2.536 1.00 0.00 O ATOM 603 CB CYS A 42 0.226 8.271 1.010 1.00 0.00 C ATOM 604 SG CYS A 42 -0.910 7.710 -0.292 1.00 0.00 S ATOM 0 H CYS A 42 0.943 9.890 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.848 10.022 1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.244 7.964 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.035 7.799 1.957 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.841 6.416 -0.400 1.00 0.00 H new ATOM 610 N THR A 43 0.856 11.524 2.757 1.00 0.00 N ATOM 611 CA THR A 43 1.744 12.259 3.655 1.00 0.00 C ATOM 612 C THR A 43 1.882 11.596 5.036 1.00 0.00 C ATOM 613 O THR A 43 2.887 11.797 5.722 1.00 0.00 O ATOM 614 CB THR A 43 1.248 13.716 3.782 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.073 13.773 4.296 1.00 0.00 O ATOM 616 CG2 THR A 43 1.234 14.468 2.447 1.00 0.00 C ATOM 0 H THR A 43 -0.021 12.013 2.577 1.00 0.00 H new ATOM 0 HA THR A 43 2.743 12.248 3.220 1.00 0.00 H new ATOM 0 HB THR A 43 1.958 14.189 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.357 14.708 4.366 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.876 15.485 2.606 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.243 14.499 2.036 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.573 13.956 1.748 1.00 0.00 H new ATOM 624 N ALA A 44 0.893 10.788 5.446 1.00 0.00 N ATOM 625 CA ALA A 44 0.839 10.135 6.752 1.00 0.00 C ATOM 626 C ALA A 44 0.768 8.625 6.545 1.00 0.00 C ATOM 627 O ALA A 44 -0.115 7.970 7.097 1.00 0.00 O ATOM 628 CB ALA A 44 -0.355 10.659 7.571 1.00 0.00 C ATOM 0 H ALA A 44 0.089 10.568 4.858 1.00 0.00 H new ATOM 0 HA ALA A 44 1.739 10.367 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.378 10.161 8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.252 11.734 7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.282 10.454 7.035 1.00 0.00 H new ATOM 634 N LEU A 45 1.589 8.070 5.653 1.00 0.00 N ATOM 635 CA LEU A 45 1.670 6.629 5.438 1.00 0.00 C ATOM 636 C LEU A 45 2.867 6.126 6.217 1.00 0.00 C ATOM 637 O LEU A 45 3.997 6.408 5.827 1.00 0.00 O ATOM 638 CB LEU A 45 1.840 6.325 3.950 1.00 0.00 C ATOM 639 CG LEU A 45 1.360 4.921 3.528 1.00 0.00 C ATOM 640 CD1 LEU A 45 1.497 4.779 2.004 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.450 3.654 4.397 1.00 0.00 C ATOM 0 H LEU A 45 2.217 8.611 5.059 1.00 0.00 H new ATOM 0 HA LEU A 45 0.757 6.137 5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.293 7.071 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.893 6.430 3.688 1.00 0.00 H new ATOM 0 HG LEU A 45 0.326 4.933 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.159 3.789 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.888 5.537 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.541 4.910 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.038 2.807 3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.493 3.454 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.883 3.802 5.316 1.00 0.00 H new ATOM 653 N GLU A 46 2.653 5.387 7.300 1.00 0.00 N ATOM 654 CA GLU A 46 3.763 4.840 8.064 1.00 0.00 C ATOM 655 C GLU A 46 3.890 3.330 7.960 1.00 0.00 C ATOM 656 O GLU A 46 5.003 2.827 8.109 1.00 0.00 O ATOM 657 CB GLU A 46 3.773 5.387 9.481 1.00 0.00 C ATOM 658 CG GLU A 46 2.513 5.097 10.277 1.00 0.00 C ATOM 659 CD GLU A 46 2.584 5.734 11.668 1.00 0.00 C ATOM 660 OE1 GLU A 46 2.828 6.964 11.745 1.00 0.00 O ATOM 661 OE2 GLU A 46 2.393 5.003 12.666 1.00 0.00 O ATOM 0 H GLU A 46 1.729 5.156 7.665 1.00 0.00 H new ATOM 0 HA GLU A 46 4.684 5.193 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.628 4.968 10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.921 6.466 9.439 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.644 5.480 9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.379 4.020 10.373 1.00 0.00 H new ATOM 668 N LYS A 47 2.822 2.602 7.617 1.00 0.00 N ATOM 669 CA LYS A 47 2.812 1.148 7.675 1.00 0.00 C ATOM 670 C LYS A 47 2.017 0.537 6.525 1.00 0.00 C ATOM 671 O LYS A 47 1.026 1.092 6.061 1.00 0.00 O ATOM 672 CB LYS A 47 2.178 0.747 9.025 1.00 0.00 C ATOM 673 CG LYS A 47 3.096 0.123 10.085 1.00 0.00 C ATOM 674 CD LYS A 47 3.118 -1.407 9.972 1.00 0.00 C ATOM 675 CE LYS A 47 3.550 -2.114 11.270 1.00 0.00 C ATOM 676 NZ LYS A 47 4.935 -1.826 11.690 1.00 0.00 N ATOM 0 H LYS A 47 1.945 3.009 7.293 1.00 0.00 H new ATOM 0 HA LYS A 47 3.832 0.774 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.721 1.636 9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.372 0.042 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.107 0.513 9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.756 0.412 11.079 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.125 -1.757 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.796 -1.694 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.872 -1.821 12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.440 -3.190 11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.974 -1.745 12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.559 -2.598 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.249 -0.932 11.261 1.00 0.00 H new ATOM 690 N LEU A 48 2.413 -0.661 6.120 1.00 0.00 N ATOM 691 CA LEU A 48 1.799 -1.512 5.121 1.00 0.00 C ATOM 692 C LEU A 48 2.103 -2.937 5.555 1.00 0.00 C ATOM 693 O LEU A 48 3.201 -3.214 6.034 1.00 0.00 O ATOM 694 CB LEU A 48 2.398 -1.209 3.739 1.00 0.00 C ATOM 695 CG LEU A 48 2.034 -2.236 2.643 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.459 -1.544 1.420 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.247 -3.053 2.193 1.00 0.00 C ATOM 0 H LEU A 48 3.245 -1.096 6.519 1.00 0.00 H new ATOM 0 HA LEU A 48 0.724 -1.350 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.062 -0.222 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.483 -1.163 3.830 1.00 0.00 H new ATOM 0 HG LEU A 48 1.295 -2.903 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.211 -2.289 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.558 -0.998 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.194 -0.848 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.943 -3.761 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.008 -2.384 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.656 -3.597 3.045 1.00 0.00 H new ATOM 709 N ILE A 49 1.155 -3.844 5.369 1.00 0.00 N ATOM 710 CA ILE A 49 1.307 -5.260 5.649 1.00 0.00 C ATOM 711 C ILE A 49 0.994 -5.984 4.334 1.00 0.00 C ATOM 712 O ILE A 49 0.277 -5.438 3.487 1.00 0.00 O ATOM 713 CB ILE A 49 0.401 -5.664 6.843 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.587 -4.758 8.091 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.689 -7.112 7.268 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.418 -3.599 8.181 1.00 0.00 C ATOM 0 H ILE A 49 0.231 -3.605 5.008 1.00 0.00 H new ATOM 0 HA ILE A 49 2.313 -5.534 5.966 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.623 -5.550 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.499 -5.371 8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.597 -4.349 8.082 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.046 -7.380 8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.493 -7.783 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.733 -7.202 7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.220 -3.015 9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.316 -2.960 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.431 -3.999 8.223 1.00 0.00 H new ATOM 728 N LEU A 50 1.524 -7.196 4.143 1.00 0.00 N ATOM 729 CA LEU A 50 1.173 -8.048 3.003 1.00 0.00 C ATOM 730 C LEU A 50 0.766 -9.439 3.509 1.00 0.00 C ATOM 731 O LEU A 50 1.550 -10.060 4.225 1.00 0.00 O ATOM 732 CB LEU A 50 2.395 -8.184 2.064 1.00 0.00 C ATOM 733 CG LEU A 50 2.967 -6.908 1.406 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.239 -7.243 0.610 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.050 -6.083 0.525 1.00 0.00 C ATOM 0 H LEU A 50 2.208 -7.614 4.774 1.00 0.00 H new ATOM 0 HA LEU A 50 0.342 -7.599 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.199 -8.652 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.124 -8.875 1.266 1.00 0.00 H new ATOM 0 HG LEU A 50 3.156 -6.269 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.631 -6.335 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.988 -7.664 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.001 -7.968 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.595 -5.222 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.698 -6.694 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.197 -5.739 1.109 1.00 0.00 H new ATOM 747 N THR A 51 -0.404 -9.958 3.105 1.00 0.00 N ATOM 748 CA THR A 51 -0.862 -11.318 3.417 1.00 0.00 C ATOM 749 C THR A 51 -0.361 -12.306 2.341 1.00 0.00 C ATOM 750 O THR A 51 -1.122 -13.156 1.858 1.00 0.00 O ATOM 751 CB THR A 51 -2.400 -11.387 3.641 1.00 0.00 C ATOM 752 OG1 THR A 51 -3.128 -11.352 2.431 1.00 0.00 O ATOM 753 CG2 THR A 51 -3.023 -10.297 4.524 1.00 0.00 C ATOM 0 H THR A 51 -1.071 -9.432 2.541 1.00 0.00 H new ATOM 0 HA THR A 51 -0.424 -11.619 4.369 1.00 0.00 H new ATOM 0 HB THR A 51 -2.482 -12.341 4.162 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.781 -12.036 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.098 -10.460 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.579 -10.337 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.834 -9.319 4.082 1.00 0.00 H new ATOM 761 N GLY A 52 0.866 -12.118 1.855 1.00 0.00 N ATOM 762 CA GLY A 52 1.502 -12.949 0.842 1.00 0.00 C ATOM 763 C GLY A 52 2.940 -13.242 1.241 1.00 0.00 C ATOM 764 O GLY A 52 3.546 -12.505 2.027 1.00 0.00 O ATOM 0 H GLY A 52 1.463 -11.354 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.950 -13.882 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.479 -12.443 -0.123 1.00 0.00 H new ATOM 768 N GLU A 53 3.503 -14.297 0.664 1.00 0.00 N ATOM 769 CA GLU A 53 4.637 -15.016 1.233 1.00 0.00 C ATOM 770 C GLU A 53 5.822 -15.103 0.264 1.00 0.00 C ATOM 771 O GLU A 53 6.789 -15.811 0.548 1.00 0.00 O ATOM 772 CB GLU A 53 4.170 -16.421 1.649 1.00 0.00 C ATOM 773 CG GLU A 53 3.280 -16.436 2.901 1.00 0.00 C ATOM 774 CD GLU A 53 2.769 -17.849 3.195 1.00 0.00 C ATOM 775 OE1 GLU A 53 1.966 -18.360 2.378 1.00 0.00 O ATOM 776 OE2 GLU A 53 3.166 -18.468 4.212 1.00 0.00 O ATOM 0 H GLU A 53 3.181 -14.682 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 53 4.994 -14.464 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.623 -16.871 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.045 -17.045 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.844 -16.064 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.435 -15.762 2.759 1.00 0.00 H new ATOM 783 N ASP A 54 5.772 -14.433 -0.889 1.00 0.00 N ATOM 784 CA ASP A 54 6.852 -14.487 -1.875 1.00 0.00 C ATOM 785 C ASP A 54 6.877 -13.206 -2.721 1.00 0.00 C ATOM 786 O ASP A 54 5.812 -12.676 -3.042 1.00 0.00 O ATOM 787 CB ASP A 54 6.622 -15.716 -2.766 1.00 0.00 C ATOM 788 CG ASP A 54 7.764 -15.939 -3.747 1.00 0.00 C ATOM 789 OD1 ASP A 54 8.766 -16.568 -3.378 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.637 -15.492 -4.915 1.00 0.00 O ATOM 0 H ASP A 54 4.988 -13.842 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 54 7.815 -14.565 -1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.506 -16.600 -2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.690 -15.593 -3.318 1.00 0.00 H new ATOM 795 N PRO A 55 8.056 -12.705 -3.124 1.00 0.00 N ATOM 796 CA PRO A 55 8.180 -11.460 -3.881 1.00 0.00 C ATOM 797 C PRO A 55 7.578 -11.549 -5.281 1.00 0.00 C ATOM 798 O PRO A 55 7.074 -10.550 -5.800 1.00 0.00 O ATOM 799 CB PRO A 55 9.678 -11.164 -3.946 1.00 0.00 C ATOM 800 CG PRO A 55 10.345 -12.509 -3.674 1.00 0.00 C ATOM 801 CD PRO A 55 9.368 -13.198 -2.745 1.00 0.00 C ATOM 0 HA PRO A 55 7.622 -10.663 -3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.963 -10.770 -4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.968 -10.420 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.496 -13.077 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.324 -12.387 -3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.425 -14.281 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.588 -12.966 -1.703 1.00 0.00 H new ATOM 809 N SER A 56 7.608 -12.732 -5.895 1.00 0.00 N ATOM 810 CA SER A 56 6.987 -12.974 -7.192 1.00 0.00 C ATOM 811 C SER A 56 5.462 -13.104 -7.085 1.00 0.00 C ATOM 812 O SER A 56 4.796 -13.197 -8.118 1.00 0.00 O ATOM 813 CB SER A 56 7.598 -14.221 -7.839 1.00 0.00 C ATOM 814 OG SER A 56 9.012 -14.144 -7.845 1.00 0.00 O ATOM 0 H SER A 56 8.068 -13.553 -5.501 1.00 0.00 H new ATOM 0 HA SER A 56 7.187 -12.110 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.280 -15.111 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.231 -14.323 -8.860 1.00 0.00 H new ATOM 0 HG SER A 56 9.382 -14.951 -8.261 1.00 0.00 H new ATOM 820 N ALA A 57 4.889 -13.110 -5.870 1.00 0.00 N ATOM 821 CA ALA A 57 3.454 -12.949 -5.649 1.00 0.00 C ATOM 822 C ALA A 57 3.032 -11.471 -5.671 1.00 0.00 C ATOM 823 O ALA A 57 1.866 -11.174 -5.403 1.00 0.00 O ATOM 824 CB ALA A 57 3.051 -13.587 -4.316 1.00 0.00 C ATOM 0 H ALA A 57 5.421 -13.229 -5.008 1.00 0.00 H new ATOM 0 HA ALA A 57 2.938 -13.453 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.979 -13.461 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.293 -14.650 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.594 -13.105 -3.503 1.00 0.00 H new ATOM 830 N TYR A 58 3.958 -10.543 -5.942 1.00 0.00 N ATOM 831 CA TYR A 58 3.693 -9.115 -6.004 1.00 0.00 C ATOM 832 C TYR A 58 4.329 -8.500 -7.243 1.00 0.00 C ATOM 833 O TYR A 58 5.214 -9.067 -7.895 1.00 0.00 O ATOM 834 CB TYR A 58 4.199 -8.422 -4.728 1.00 0.00 C ATOM 835 CG TYR A 58 3.251 -8.584 -3.561 1.00 0.00 C ATOM 836 CD1 TYR A 58 2.186 -7.674 -3.390 1.00 0.00 C ATOM 837 CD2 TYR A 58 3.395 -9.680 -2.687 1.00 0.00 C ATOM 838 CE1 TYR A 58 1.249 -7.891 -2.371 1.00 0.00 C ATOM 839 CE2 TYR A 58 2.478 -9.873 -1.643 1.00 0.00 C ATOM 840 CZ TYR A 58 1.402 -8.979 -1.483 1.00 0.00 C ATOM 841 OH TYR A 58 0.507 -9.154 -0.472 1.00 0.00 O ATOM 0 H TYR A 58 4.933 -10.778 -6.127 1.00 0.00 H new ATOM 0 HA TYR A 58 2.615 -8.967 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.173 -8.831 -4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.343 -7.360 -4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.094 -6.816 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.213 -10.373 -2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.406 -7.224 -2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.597 -10.705 -0.964 1.00 0.00 H new ATOM 0 HH TYR A 58 0.603 -10.056 -0.102 1.00 0.00 H new ATOM 851 N SER A 59 3.885 -7.280 -7.527 1.00 0.00 N ATOM 852 CA SER A 59 4.355 -6.426 -8.598 1.00 0.00 C ATOM 853 C SER A 59 4.573 -5.012 -8.044 1.00 0.00 C ATOM 854 O SER A 59 4.189 -4.724 -6.913 1.00 0.00 O ATOM 855 CB SER A 59 3.316 -6.456 -9.727 1.00 0.00 C ATOM 856 OG SER A 59 3.111 -7.770 -10.217 1.00 0.00 O ATOM 0 H SER A 59 3.144 -6.841 -6.980 1.00 0.00 H new ATOM 0 HA SER A 59 5.306 -6.772 -9.002 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.371 -6.052 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.645 -5.811 -10.542 1.00 0.00 H new ATOM 0 HG SER A 59 2.442 -7.751 -10.933 1.00 0.00 H new ATOM 862 N ALA A 60 5.181 -4.141 -8.839 1.00 0.00 N ATOM 863 CA ALA A 60 5.506 -2.727 -8.644 1.00 0.00 C ATOM 864 C ALA A 60 6.091 -2.285 -9.996 1.00 0.00 C ATOM 865 O ALA A 60 6.099 -3.069 -10.954 1.00 0.00 O ATOM 866 CB ALA A 60 6.449 -2.538 -7.446 1.00 0.00 C ATOM 0 H ALA A 60 5.501 -4.448 -9.758 1.00 0.00 H new ATOM 0 HA ALA A 60 4.646 -2.109 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.674 -1.479 -7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.969 -2.914 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.374 -3.088 -7.621 1.00 0.00 H new ATOM 872 N GLY A 61 6.523 -1.035 -10.086 1.00 0.00 N ATOM 873 CA GLY A 61 7.103 -0.430 -11.269 1.00 0.00 C ATOM 874 C GLY A 61 8.351 0.335 -10.856 1.00 0.00 C ATOM 875 O GLY A 61 9.090 -0.086 -9.962 1.00 0.00 O ATOM 0 H GLY A 61 6.475 -0.389 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.354 -1.196 -12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.386 0.241 -11.742 1.00 0.00 H new ATOM 879 N ASP A 62 8.626 1.450 -11.525 1.00 0.00 N ATOM 880 CA ASP A 62 9.853 2.223 -11.345 1.00 0.00 C ATOM 881 C ASP A 62 9.845 3.069 -10.072 1.00 0.00 C ATOM 882 O ASP A 62 10.830 3.756 -9.781 1.00 0.00 O ATOM 883 CB ASP A 62 10.133 3.067 -12.600 1.00 0.00 C ATOM 884 CG ASP A 62 11.162 2.339 -13.456 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.359 2.369 -13.099 1.00 0.00 O ATOM 886 OD2 ASP A 62 10.770 1.630 -14.409 1.00 0.00 O ATOM 0 H ASP A 62 7.994 1.849 -12.219 1.00 0.00 H new ATOM 0 HA ASP A 62 10.671 1.515 -11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.213 3.222 -13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.504 4.052 -12.318 1.00 0.00 H new ATOM 891 N GLY A 63 8.768 3.015 -9.287 1.00 0.00 N ATOM 892 CA GLY A 63 8.628 3.798 -8.082 1.00 0.00 C ATOM 893 C GLY A 63 7.428 3.365 -7.265 1.00 0.00 C ATOM 894 O GLY A 63 6.432 4.087 -7.222 1.00 0.00 O ATOM 0 H GLY A 63 7.965 2.416 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.531 3.702 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.529 4.852 -8.343 1.00 0.00 H new ATOM 898 N LEU A 64 7.536 2.211 -6.587 1.00 0.00 N ATOM 899 CA LEU A 64 6.490 1.623 -5.734 1.00 0.00 C ATOM 900 C LEU A 64 5.878 2.725 -4.858 1.00 0.00 C ATOM 901 O LEU A 64 4.655 2.756 -4.701 1.00 0.00 O ATOM 902 CB LEU A 64 7.103 0.461 -4.920 1.00 0.00 C ATOM 903 CG LEU A 64 6.151 -0.199 -3.894 1.00 0.00 C ATOM 904 CD1 LEU A 64 6.611 -1.612 -3.496 1.00 0.00 C ATOM 905 CD2 LEU A 64 6.046 0.637 -2.617 1.00 0.00 C ATOM 0 H LEU A 64 8.382 1.642 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 64 5.678 1.204 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.450 -0.304 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.980 0.833 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 64 5.181 -0.261 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.911 -2.033 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.645 -2.247 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.604 -1.559 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.370 0.147 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.032 0.733 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.661 1.627 -2.861 1.00 0.00 H new ATOM 917 N ARG A 65 6.690 3.639 -4.309 1.00 0.00 N ATOM 918 CA ARG A 65 6.299 4.671 -3.358 1.00 0.00 C ATOM 919 C ARG A 65 6.699 6.067 -3.836 1.00 0.00 C ATOM 920 O ARG A 65 7.044 6.903 -3.003 1.00 0.00 O ATOM 921 CB ARG A 65 6.877 4.342 -1.970 1.00 0.00 C ATOM 922 CG ARG A 65 8.389 4.045 -1.971 1.00 0.00 C ATOM 923 CD ARG A 65 9.195 4.635 -0.809 1.00 0.00 C ATOM 924 NE ARG A 65 9.636 3.572 0.106 1.00 0.00 N ATOM 925 CZ ARG A 65 8.845 2.871 0.922 1.00 0.00 C ATOM 926 NH1 ARG A 65 7.533 3.095 0.958 1.00 0.00 N ATOM 927 NH2 ARG A 65 9.336 1.922 1.695 1.00 0.00 N ATOM 0 H ARG A 65 7.685 3.674 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 65 5.212 4.682 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.683 5.179 -1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.349 3.480 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.526 2.964 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.811 4.418 -2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.061 5.172 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.586 5.359 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 65 10.632 3.351 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.121 3.809 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.940 2.552 1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.334 1.714 1.675 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.717 1.396 2.312 1.00 0.00 H new ATOM 941 N ASP A 66 6.660 6.339 -5.143 1.00 0.00 N ATOM 942 CA ASP A 66 6.858 7.703 -5.639 1.00 0.00 C ATOM 943 C ASP A 66 5.900 8.647 -4.902 1.00 0.00 C ATOM 944 O ASP A 66 4.690 8.399 -4.888 1.00 0.00 O ATOM 945 CB ASP A 66 6.638 7.776 -7.153 1.00 0.00 C ATOM 946 CG ASP A 66 7.160 9.112 -7.680 1.00 0.00 C ATOM 947 OD1 ASP A 66 6.543 10.158 -7.399 1.00 0.00 O ATOM 948 OD2 ASP A 66 8.239 9.115 -8.323 1.00 0.00 O ATOM 0 H ASP A 66 6.495 5.642 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 66 7.887 8.008 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.154 6.952 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.578 7.672 -7.383 1.00 0.00 H new ATOM 953 N GLY A 67 6.436 9.659 -4.212 1.00 0.00 N ATOM 954 CA GLY A 67 5.657 10.642 -3.474 1.00 0.00 C ATOM 955 C GLY A 67 5.096 10.157 -2.127 1.00 0.00 C ATOM 956 O GLY A 67 4.254 10.851 -1.552 1.00 0.00 O ATOM 0 H GLY A 67 7.442 9.815 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.282 11.517 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.826 10.967 -4.100 1.00 0.00 H new ATOM 960 N ALA A 68 5.542 9.010 -1.605 1.00 0.00 N ATOM 961 CA ALA A 68 5.266 8.539 -0.248 1.00 0.00 C ATOM 962 C ALA A 68 6.530 7.926 0.356 1.00 0.00 C ATOM 963 O ALA A 68 7.531 7.735 -0.332 1.00 0.00 O ATOM 964 CB ALA A 68 4.135 7.504 -0.265 1.00 0.00 C ATOM 0 H ALA A 68 6.125 8.363 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 68 4.954 9.386 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.940 7.162 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.233 7.958 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.427 6.656 -0.884 1.00 0.00 H new ATOM 970 N ASP A 69 6.490 7.569 1.640 1.00 0.00 N ATOM 971 CA ASP A 69 7.594 6.921 2.341 1.00 0.00 C ATOM 972 C ASP A 69 7.011 6.180 3.548 1.00 0.00 C ATOM 973 O ASP A 69 6.748 6.810 4.573 1.00 0.00 O ATOM 974 CB ASP A 69 8.639 7.978 2.731 1.00 0.00 C ATOM 975 CG ASP A 69 9.882 7.358 3.349 1.00 0.00 C ATOM 976 OD1 ASP A 69 9.843 6.863 4.503 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.909 7.256 2.650 1.00 0.00 O ATOM 0 H ASP A 69 5.674 7.726 2.231 1.00 0.00 H new ATOM 0 HA ASP A 69 8.107 6.194 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.922 8.550 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.196 8.680 3.437 1.00 0.00 H new ATOM 982 N PHE A 70 6.730 4.876 3.387 1.00 0.00 N ATOM 983 CA PHE A 70 6.037 4.026 4.378 1.00 0.00 C ATOM 984 C PHE A 70 6.785 2.701 4.606 1.00 0.00 C ATOM 985 O PHE A 70 7.646 2.311 3.818 1.00 0.00 O ATOM 986 CB PHE A 70 4.599 3.762 3.895 1.00 0.00 C ATOM 987 CG PHE A 70 4.530 2.893 2.652 1.00 0.00 C ATOM 988 CD1 PHE A 70 4.578 1.488 2.762 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.447 3.482 1.378 1.00 0.00 C ATOM 990 CE1 PHE A 70 4.465 0.694 1.615 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.286 2.679 0.237 1.00 0.00 C ATOM 992 CZ PHE A 70 4.266 1.282 0.359 1.00 0.00 C ATOM 0 H PHE A 70 6.985 4.367 2.541 1.00 0.00 H new ATOM 0 HA PHE A 70 6.013 4.549 5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.037 3.282 4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.112 4.715 3.690 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.702 1.025 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.507 4.556 1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.532 -0.381 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.178 3.138 -0.735 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.098 0.663 -0.510 1.00 0.00 H new ATOM 1002 N LEU A 71 6.396 1.949 5.631 1.00 0.00 N ATOM 1003 CA LEU A 71 7.080 0.710 6.060 1.00 0.00 C ATOM 1004 C LEU A 71 6.299 -0.535 5.634 1.00 0.00 C ATOM 1005 O LEU A 71 5.079 -0.489 5.623 1.00 0.00 O ATOM 1006 CB LEU A 71 7.227 0.727 7.586 1.00 0.00 C ATOM 1007 CG LEU A 71 8.216 -0.289 8.177 1.00 0.00 C ATOM 1008 CD1 LEU A 71 9.673 0.169 8.021 1.00 0.00 C ATOM 1009 CD2 LEU A 71 7.922 -0.452 9.669 1.00 0.00 C ATOM 0 H LEU A 71 5.584 2.178 6.204 1.00 0.00 H new ATOM 0 HA LEU A 71 8.059 0.671 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.538 1.726 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.247 0.550 8.028 1.00 0.00 H new ATOM 0 HG LEU A 71 8.092 -1.228 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.338 -0.579 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.904 0.293 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.813 1.119 8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.618 -1.171 10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.037 0.509 10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.901 -0.810 9.802 1.00 0.00 H new ATOM 1021 N ILE A 72 6.977 -1.632 5.301 1.00 0.00 N ATOM 1022 CA ILE A 72 6.447 -2.877 4.723 1.00 0.00 C ATOM 1023 C ILE A 72 6.644 -4.021 5.745 1.00 0.00 C ATOM 1024 O ILE A 72 7.753 -4.211 6.252 1.00 0.00 O ATOM 1025 CB ILE A 72 7.159 -3.122 3.367 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.076 -1.904 2.413 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.702 -4.355 2.560 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.407 -1.687 1.709 1.00 0.00 C ATOM 0 H ILE A 72 7.987 -1.683 5.436 1.00 0.00 H new ATOM 0 HA ILE A 72 5.378 -2.819 4.520 1.00 0.00 H new ATOM 0 HB ILE A 72 8.180 -3.305 3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.290 -2.065 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.806 -1.011 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.274 -4.416 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.867 -5.257 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.641 -4.264 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.330 -0.828 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.185 -1.504 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.661 -2.574 1.129 1.00 0.00 H new ATOM 1040 N CYS A 73 5.590 -4.779 6.063 1.00 0.00 N ATOM 1041 CA CYS A 73 5.562 -5.843 7.073 1.00 0.00 C ATOM 1042 C CYS A 73 5.135 -7.190 6.483 1.00 0.00 C ATOM 1043 O CYS A 73 3.986 -7.340 6.055 1.00 0.00 O ATOM 1044 CB CYS A 73 4.623 -5.444 8.210 1.00 0.00 C ATOM 1045 SG CYS A 73 5.185 -3.864 8.879 1.00 0.00 S ATOM 0 H CYS A 73 4.688 -4.662 5.601 1.00 0.00 H new ATOM 0 HA CYS A 73 6.575 -5.967 7.455 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.599 -5.360 7.845 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.622 -6.207 8.988 1.00 0.00 H new ATOM 0 HG CYS A 73 6.010 -4.077 9.861 1.00 0.00 H new ATOM 1051 N VAL A 74 6.056 -8.147 6.374 1.00 0.00 N ATOM 1052 CA VAL A 74 5.825 -9.456 5.745 1.00 0.00 C ATOM 1053 C VAL A 74 5.822 -10.536 6.833 1.00 0.00 C ATOM 1054 O VAL A 74 6.355 -10.277 7.913 1.00 0.00 O ATOM 1055 CB VAL A 74 6.898 -9.714 4.657 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.742 -8.720 3.497 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.342 -9.656 5.176 1.00 0.00 C ATOM 0 H VAL A 74 7.006 -8.036 6.727 1.00 0.00 H new ATOM 0 HA VAL A 74 4.856 -9.478 5.247 1.00 0.00 H new ATOM 0 HB VAL A 74 6.723 -10.734 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.504 -8.918 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.754 -8.833 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.857 -7.703 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.032 -9.847 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.539 -8.669 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.481 -10.411 5.949 1.00 0.00 H new ATOM 1067 N PRO A 75 5.266 -11.740 6.605 1.00 0.00 N ATOM 1068 CA PRO A 75 5.421 -12.819 7.572 1.00 0.00 C ATOM 1069 C PRO A 75 6.907 -13.159 7.666 1.00 0.00 C ATOM 1070 O PRO A 75 7.586 -13.212 6.633 1.00 0.00 O ATOM 1071 CB PRO A 75 4.572 -13.982 7.049 1.00 0.00 C ATOM 1072 CG PRO A 75 4.426 -13.711 5.553 1.00 0.00 C ATOM 1073 CD PRO A 75 4.540 -12.192 5.422 1.00 0.00 C ATOM 0 HA PRO A 75 5.088 -12.562 8.578 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.057 -14.941 7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.601 -14.017 7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.203 -14.217 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.468 -14.070 5.177 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.070 -11.918 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.554 -11.730 5.369 1.00 0.00 H new ATOM 1081 N GLU A 76 7.422 -13.391 8.876 1.00 0.00 N ATOM 1082 CA GLU A 76 8.849 -13.645 9.078 1.00 0.00 C ATOM 1083 C GLU A 76 9.367 -14.799 8.213 1.00 0.00 C ATOM 1084 O GLU A 76 10.524 -14.796 7.794 1.00 0.00 O ATOM 1085 CB GLU A 76 9.218 -13.876 10.543 1.00 0.00 C ATOM 1086 CG GLU A 76 8.534 -15.106 11.145 1.00 0.00 C ATOM 1087 CD GLU A 76 9.274 -15.702 12.340 1.00 0.00 C ATOM 1088 OE1 GLU A 76 10.147 -15.031 12.942 1.00 0.00 O ATOM 1089 OE2 GLU A 76 9.103 -16.917 12.580 1.00 0.00 O ATOM 0 H GLU A 76 6.869 -13.408 9.733 1.00 0.00 H new ATOM 0 HA GLU A 76 9.345 -12.729 8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.299 -13.991 10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.946 -12.995 11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.525 -14.834 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.436 -15.869 10.373 1.00 0.00 H new ATOM 1096 N GLU A 77 8.509 -15.778 7.931 1.00 0.00 N ATOM 1097 CA GLU A 77 8.858 -16.988 7.217 1.00 0.00 C ATOM 1098 C GLU A 77 9.236 -16.642 5.765 1.00 0.00 C ATOM 1099 O GLU A 77 10.134 -17.246 5.178 1.00 0.00 O ATOM 1100 CB GLU A 77 7.656 -17.944 7.333 1.00 0.00 C ATOM 1101 CG GLU A 77 8.055 -19.422 7.325 1.00 0.00 C ATOM 1102 CD GLU A 77 8.418 -19.918 5.932 1.00 0.00 C ATOM 1103 OE1 GLU A 77 7.510 -20.019 5.072 1.00 0.00 O ATOM 1104 OE2 GLU A 77 9.595 -20.255 5.677 1.00 0.00 O ATOM 0 H GLU A 77 7.527 -15.743 8.204 1.00 0.00 H new ATOM 0 HA GLU A 77 9.732 -17.484 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.115 -17.726 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.970 -17.756 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.904 -19.570 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.232 -20.020 7.718 1.00 0.00 H new ATOM 1111 N ALA A 78 8.597 -15.616 5.197 1.00 0.00 N ATOM 1112 CA ALA A 78 8.887 -15.072 3.877 1.00 0.00 C ATOM 1113 C ALA A 78 9.961 -13.971 3.923 1.00 0.00 C ATOM 1114 O ALA A 78 10.317 -13.435 2.878 1.00 0.00 O ATOM 1115 CB ALA A 78 7.593 -14.480 3.322 1.00 0.00 C ATOM 0 H ALA A 78 7.835 -15.126 5.666 1.00 0.00 H new ATOM 0 HA ALA A 78 9.270 -15.875 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.779 -14.064 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.836 -15.261 3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.239 -13.692 3.986 1.00 0.00 H new ATOM 1121 N LEU A 79 10.480 -13.571 5.086 1.00 0.00 N ATOM 1122 CA LEU A 79 11.270 -12.342 5.179 1.00 0.00 C ATOM 1123 C LEU A 79 12.539 -12.403 4.322 1.00 0.00 C ATOM 1124 O LEU A 79 12.805 -11.494 3.535 1.00 0.00 O ATOM 1125 CB LEU A 79 11.589 -12.039 6.646 1.00 0.00 C ATOM 1126 CG LEU A 79 12.425 -10.765 6.854 1.00 0.00 C ATOM 1127 CD1 LEU A 79 11.727 -9.514 6.315 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.661 -10.587 8.349 1.00 0.00 C ATOM 0 H LEU A 79 10.369 -14.074 5.967 1.00 0.00 H new ATOM 0 HA LEU A 79 10.673 -11.523 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.654 -11.942 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.125 -12.887 7.073 1.00 0.00 H new ATOM 0 HG LEU A 79 13.361 -10.882 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.359 -8.642 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.549 -9.629 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.775 -9.379 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.253 -9.688 8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.703 -10.493 8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.196 -11.453 8.738 1.00 0.00 H new ATOM 1140 N ASP A 80 13.325 -13.472 4.471 1.00 0.00 N ATOM 1141 CA ASP A 80 14.536 -13.672 3.663 1.00 0.00 C ATOM 1142 C ASP A 80 14.185 -13.870 2.187 1.00 0.00 C ATOM 1143 O ASP A 80 14.914 -13.456 1.289 1.00 0.00 O ATOM 1144 CB ASP A 80 15.296 -14.896 4.171 1.00 0.00 C ATOM 1145 CG ASP A 80 16.728 -14.998 3.622 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.471 -13.994 3.568 1.00 0.00 O ATOM 1147 OD2 ASP A 80 17.172 -16.132 3.333 1.00 0.00 O ATOM 0 H ASP A 80 13.146 -14.216 5.145 1.00 0.00 H new ATOM 0 HA ASP A 80 15.159 -12.782 3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.334 -14.865 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.745 -15.796 3.897 1.00 0.00 H new ATOM 1152 N ARG A 81 13.025 -14.480 1.947 1.00 0.00 N ATOM 1153 CA ARG A 81 12.441 -14.771 0.651 1.00 0.00 C ATOM 1154 C ARG A 81 12.273 -13.487 -0.158 1.00 0.00 C ATOM 1155 O ARG A 81 12.823 -13.393 -1.254 1.00 0.00 O ATOM 1156 CB ARG A 81 11.125 -15.527 0.898 1.00 0.00 C ATOM 1157 CG ARG A 81 10.707 -16.490 -0.201 1.00 0.00 C ATOM 1158 CD ARG A 81 9.641 -17.433 0.379 1.00 0.00 C ATOM 1159 NE ARG A 81 10.255 -18.455 1.247 1.00 0.00 N ATOM 1160 CZ ARG A 81 9.728 -18.999 2.348 1.00 0.00 C ATOM 1161 NH1 ARG A 81 8.455 -18.821 2.658 1.00 0.00 N ATOM 1162 NH2 ARG A 81 10.500 -19.734 3.138 1.00 0.00 N ATOM 0 H ARG A 81 12.432 -14.804 2.711 1.00 0.00 H new ATOM 0 HA ARG A 81 13.090 -15.405 0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.216 -16.085 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.328 -14.797 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.309 -15.944 -1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.566 -17.058 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.912 -16.857 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.099 -17.918 -0.433 1.00 0.00 H new ATOM 0 HE ARG A 81 11.183 -18.782 0.978 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.856 -18.260 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.072 -19.245 3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.482 -19.877 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.112 -20.156 3.982 1.00 0.00 H new ATOM 1176 N TYR A 82 11.561 -12.497 0.394 1.00 0.00 N ATOM 1177 CA TYR A 82 11.428 -11.171 -0.199 1.00 0.00 C ATOM 1178 C TYR A 82 12.796 -10.499 -0.326 1.00 0.00 C ATOM 1179 O TYR A 82 13.103 -9.923 -1.368 1.00 0.00 O ATOM 1180 CB TYR A 82 10.498 -10.285 0.647 1.00 0.00 C ATOM 1181 CG TYR A 82 9.009 -10.539 0.482 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.309 -9.958 -0.594 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.304 -11.279 1.447 1.00 0.00 C ATOM 1184 CE1 TYR A 82 6.914 -10.113 -0.701 1.00 0.00 C ATOM 1185 CE2 TYR A 82 6.915 -11.454 1.342 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.216 -10.861 0.271 1.00 0.00 C ATOM 1187 OH TYR A 82 4.867 -10.978 0.198 1.00 0.00 O ATOM 0 H TYR A 82 11.057 -12.601 1.275 1.00 0.00 H new ATOM 0 HA TYR A 82 10.995 -11.292 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.756 -10.420 1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.699 -9.242 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.845 -9.391 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.836 -11.718 2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.380 -9.661 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.385 -12.040 2.078 1.00 0.00 H new ATOM 0 HH TYR A 82 4.531 -11.403 1.015 1.00 0.00 H new ATOM 1197 N ARG A 83 13.624 -10.541 0.723 1.00 0.00 N ATOM 1198 CA ARG A 83 14.907 -9.837 0.733 1.00 0.00 C ATOM 1199 C ARG A 83 15.836 -10.266 -0.399 1.00 0.00 C ATOM 1200 O ARG A 83 16.559 -9.426 -0.944 1.00 0.00 O ATOM 1201 CB ARG A 83 15.613 -10.066 2.070 1.00 0.00 C ATOM 1202 CG ARG A 83 15.251 -9.001 3.116 1.00 0.00 C ATOM 1203 CD ARG A 83 16.360 -8.892 4.164 1.00 0.00 C ATOM 1204 NE ARG A 83 17.628 -8.506 3.530 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.844 -8.681 4.030 1.00 0.00 C ATOM 1206 NH1 ARG A 83 19.020 -8.860 5.332 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.887 -8.676 3.210 1.00 0.00 N ATOM 0 H ARG A 83 13.425 -11.058 1.579 1.00 0.00 H new ATOM 0 HA ARG A 83 14.682 -8.780 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.348 -11.052 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 83 16.692 -10.064 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.105 -8.037 2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.309 -9.260 3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.085 -8.156 4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.479 -9.846 4.678 1.00 0.00 H new ATOM 0 HE ARG A 83 17.567 -8.059 2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.216 -8.864 5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.959 -8.994 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.748 -8.539 2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.828 -8.809 3.581 1.00 0.00 H new ATOM 1221 N ARG A 84 15.854 -11.560 -0.717 1.00 0.00 N ATOM 1222 CA ARG A 84 16.700 -12.126 -1.761 1.00 0.00 C ATOM 1223 C ARG A 84 16.188 -11.828 -3.167 1.00 0.00 C ATOM 1224 O ARG A 84 16.824 -12.279 -4.127 1.00 0.00 O ATOM 1225 CB ARG A 84 16.808 -13.644 -1.545 1.00 0.00 C ATOM 1226 CG ARG A 84 17.704 -14.055 -0.375 1.00 0.00 C ATOM 1227 CD ARG A 84 17.593 -15.568 -0.162 1.00 0.00 C ATOM 1228 NE ARG A 84 18.546 -16.032 0.854 1.00 0.00 N ATOM 1229 CZ ARG A 84 19.862 -16.204 0.680 1.00 0.00 C ATOM 1230 NH1 ARG A 84 20.415 -16.185 -0.531 1.00 0.00 N ATOM 1231 NH2 ARG A 84 20.642 -16.368 1.740 1.00 0.00 N ATOM 0 H ARG A 84 15.271 -12.253 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 84 17.681 -11.657 -1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.809 -14.047 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.190 -14.102 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.739 -13.780 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.406 -13.526 0.530 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.578 -15.821 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.780 -16.085 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 84 18.170 -16.243 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.833 -16.037 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.421 -16.319 -0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.238 -16.362 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.646 -16.500 1.619 1.00 0.00 H new ATOM 1245 N ASP A 85 15.064 -11.133 -3.338 1.00 0.00 N ATOM 1246 CA ASP A 85 14.480 -10.908 -4.654 1.00 0.00 C ATOM 1247 C ASP A 85 15.412 -10.103 -5.554 1.00 0.00 C ATOM 1248 O ASP A 85 16.360 -9.461 -5.097 1.00 0.00 O ATOM 1249 CB ASP A 85 13.156 -10.162 -4.515 1.00 0.00 C ATOM 1250 CG ASP A 85 12.420 -9.997 -5.843 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.436 -10.925 -6.678 1.00 0.00 O ATOM 1252 OD2 ASP A 85 11.936 -8.874 -6.071 1.00 0.00 O ATOM 0 H ASP A 85 14.538 -10.714 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 85 14.317 -11.884 -5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.515 -10.698 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.343 -9.178 -4.085 1.00 0.00 H new ATOM 1257 N TYR A 86 15.131 -10.102 -6.851 1.00 0.00 N ATOM 1258 CA TYR A 86 15.900 -9.409 -7.869 1.00 0.00 C ATOM 1259 C TYR A 86 15.321 -8.021 -8.229 1.00 0.00 C ATOM 1260 O TYR A 86 15.686 -7.388 -9.224 1.00 0.00 O ATOM 1261 CB TYR A 86 16.031 -10.338 -9.091 1.00 0.00 C ATOM 1262 CG TYR A 86 17.407 -10.306 -9.717 1.00 0.00 C ATOM 1263 CD1 TYR A 86 18.183 -9.136 -9.641 1.00 0.00 C ATOM 1264 CD2 TYR A 86 17.932 -11.461 -10.323 1.00 0.00 C ATOM 1265 CE1 TYR A 86 19.441 -9.092 -10.254 1.00 0.00 C ATOM 1266 CE2 TYR A 86 19.203 -11.429 -10.923 1.00 0.00 C ATOM 1267 CZ TYR A 86 19.953 -10.232 -10.905 1.00 0.00 C ATOM 1268 OH TYR A 86 21.186 -10.162 -11.465 1.00 0.00 O ATOM 0 H TYR A 86 14.330 -10.604 -7.234 1.00 0.00 H new ATOM 0 HA TYR A 86 16.892 -9.188 -7.476 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.799 -11.360 -8.789 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.292 -10.051 -9.839 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.809 -8.273 -9.111 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.357 -12.375 -10.328 1.00 0.00 H new ATOM 0 HE1 TYR A 86 20.021 -8.181 -10.228 1.00 0.00 H new ATOM 0 HE2 TYR A 86 19.604 -12.314 -11.395 1.00 0.00 H new ATOM 0 HH TYR A 86 21.408 -11.023 -11.877 1.00 0.00 H new ATOM 1278 N PHE A 87 14.415 -7.541 -7.391 1.00 0.00 N ATOM 1279 CA PHE A 87 13.719 -6.262 -7.493 1.00 0.00 C ATOM 1280 C PHE A 87 13.443 -5.678 -6.106 1.00 0.00 C ATOM 1281 O PHE A 87 13.926 -4.592 -5.809 1.00 0.00 O ATOM 1282 CB PHE A 87 12.426 -6.427 -8.302 1.00 0.00 C ATOM 1283 CG PHE A 87 11.455 -5.259 -8.314 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.898 -3.924 -8.262 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.087 -5.528 -8.492 1.00 0.00 C ATOM 1286 CE1 PHE A 87 10.990 -2.873 -8.440 1.00 0.00 C ATOM 1287 CE2 PHE A 87 9.186 -4.484 -8.716 1.00 0.00 C ATOM 1288 CZ PHE A 87 9.642 -3.158 -8.698 1.00 0.00 C ATOM 0 H PHE A 87 14.126 -8.067 -6.567 1.00 0.00 H new ATOM 0 HA PHE A 87 14.360 -5.555 -8.020 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.700 -6.648 -9.334 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.898 -7.300 -7.919 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.941 -3.710 -8.084 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.731 -6.547 -8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.326 -1.849 -8.379 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.144 -4.697 -8.902 1.00 0.00 H new ATOM 0 HZ PHE A 87 8.950 -2.350 -8.884 1.00 0.00 H new ATOM 1298 N TRP A 88 12.709 -6.367 -5.226 1.00 0.00 N ATOM 1299 CA TRP A 88 12.369 -5.898 -3.874 1.00 0.00 C ATOM 1300 C TRP A 88 13.607 -5.666 -2.990 1.00 0.00 C ATOM 1301 O TRP A 88 13.506 -5.040 -1.932 1.00 0.00 O ATOM 1302 CB TRP A 88 11.381 -6.870 -3.210 1.00 0.00 C ATOM 1303 CG TRP A 88 9.948 -6.772 -3.657 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.349 -7.505 -4.623 1.00 0.00 C ATOM 1305 CD2 TRP A 88 8.891 -5.943 -3.090 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.008 -7.185 -4.693 1.00 0.00 N ATOM 1307 CE2 TRP A 88 7.661 -6.244 -3.746 1.00 0.00 C ATOM 1308 CE3 TRP A 88 8.851 -4.978 -2.064 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.453 -5.624 -3.380 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 7.642 -4.385 -1.658 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.439 -4.717 -2.305 1.00 0.00 C ATOM 0 H TRP A 88 12.325 -7.288 -5.437 1.00 0.00 H new ATOM 0 HA TRP A 88 11.891 -4.924 -3.980 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.727 -7.887 -3.392 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.415 -6.710 -2.132 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.846 -8.233 -5.247 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.355 -7.594 -5.362 1.00 0.00 H new ATOM 0 HE3 TRP A 88 9.770 -4.687 -1.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.543 -5.842 -3.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.638 -3.672 -0.847 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.508 -4.278 -1.978 1.00 0.00 H new ATOM 1322 N GLN A 89 14.784 -6.083 -3.467 1.00 0.00 N ATOM 1323 CA GLN A 89 16.118 -5.876 -2.876 1.00 0.00 C ATOM 1324 C GLN A 89 16.357 -4.453 -2.343 1.00 0.00 C ATOM 1325 O GLN A 89 16.609 -4.272 -1.148 1.00 0.00 O ATOM 1326 CB GLN A 89 17.318 -6.352 -3.718 1.00 0.00 C ATOM 1327 CG GLN A 89 16.886 -6.186 -5.139 1.00 0.00 C ATOM 1328 CD GLN A 89 17.993 -6.075 -6.162 1.00 0.00 C ATOM 1329 OE1 GLN A 89 18.182 -5.019 -6.753 1.00 0.00 O ATOM 1330 NE2 GLN A 89 18.741 -7.142 -6.361 1.00 0.00 N ATOM 0 H GLN A 89 14.838 -6.612 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 89 16.077 -6.552 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 89 18.209 -5.761 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.565 -7.391 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.255 -7.033 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.265 -5.292 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.549 -8.002 -5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.512 -7.107 -7.028 1.00 0.00 H new ATOM 1339 N THR A 90 16.276 -3.459 -3.228 1.00 0.00 N ATOM 1340 CA THR A 90 16.389 -2.029 -2.902 1.00 0.00 C ATOM 1341 C THR A 90 15.465 -1.688 -1.719 1.00 0.00 C ATOM 1342 O THR A 90 15.892 -1.185 -0.666 1.00 0.00 O ATOM 1343 CB THR A 90 16.151 -1.157 -4.161 1.00 0.00 C ATOM 1344 OG1 THR A 90 15.684 0.118 -3.788 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.210 -1.753 -5.208 1.00 0.00 C ATOM 0 H THR A 90 16.125 -3.627 -4.223 1.00 0.00 H new ATOM 0 HA THR A 90 17.404 -1.799 -2.578 1.00 0.00 H new ATOM 0 HB THR A 90 17.127 -1.099 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.539 0.661 -4.591 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.114 -1.062 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.615 -2.701 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.230 -1.922 -4.762 1.00 0.00 H new ATOM 1353 N TYR A 91 14.202 -2.097 -1.847 1.00 0.00 N ATOM 1354 CA TYR A 91 13.133 -1.824 -0.913 1.00 0.00 C ATOM 1355 C TYR A 91 13.271 -2.595 0.412 1.00 0.00 C ATOM 1356 O TYR A 91 12.501 -2.352 1.349 1.00 0.00 O ATOM 1357 CB TYR A 91 11.788 -2.062 -1.612 1.00 0.00 C ATOM 1358 CG TYR A 91 11.524 -1.106 -2.769 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.035 0.193 -2.525 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.787 -1.506 -4.093 1.00 0.00 C ATOM 1361 CE1 TYR A 91 10.764 1.063 -3.595 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.524 -0.640 -5.169 1.00 0.00 C ATOM 1363 CZ TYR A 91 10.999 0.647 -4.925 1.00 0.00 C ATOM 1364 OH TYR A 91 10.702 1.483 -5.959 1.00 0.00 O ATOM 0 H TYR A 91 13.893 -2.652 -2.645 1.00 0.00 H new ATOM 0 HA TYR A 91 13.192 -0.777 -0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.758 -3.086 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.986 -1.964 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.868 0.522 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.195 -2.488 -4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.375 2.052 -3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.724 -0.959 -6.181 1.00 0.00 H new ATOM 0 HH TYR A 91 10.924 1.046 -6.807 1.00 0.00 H new ATOM 1374 N ALA A 92 14.284 -3.461 0.566 1.00 0.00 N ATOM 1375 CA ALA A 92 14.511 -4.274 1.760 1.00 0.00 C ATOM 1376 C ALA A 92 14.762 -3.420 2.989 1.00 0.00 C ATOM 1377 O ALA A 92 14.505 -3.886 4.100 1.00 0.00 O ATOM 1378 CB ALA A 92 15.695 -5.227 1.559 1.00 0.00 C ATOM 0 H ALA A 92 14.984 -3.616 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 92 13.601 -4.852 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.842 -5.820 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.490 -5.890 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 92 16.596 -4.649 1.353 1.00 0.00 H new ATOM 1384 N ALA A 93 15.221 -2.176 2.812 1.00 0.00 N ATOM 1385 CA ALA A 93 15.566 -1.328 3.940 1.00 0.00 C ATOM 1386 C ALA A 93 14.363 -1.054 4.864 1.00 0.00 C ATOM 1387 O ALA A 93 14.547 -0.786 6.052 1.00 0.00 O ATOM 1388 CB ALA A 93 16.225 -0.027 3.465 1.00 0.00 C ATOM 0 H ALA A 93 15.359 -1.743 1.899 1.00 0.00 H new ATOM 0 HA ALA A 93 16.293 -1.874 4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.474 0.591 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.134 -0.261 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.536 0.515 2.818 1.00 0.00 H new ATOM 1394 N TRP A 94 13.134 -1.183 4.346 1.00 0.00 N ATOM 1395 CA TRP A 94 11.889 -0.890 5.047 1.00 0.00 C ATOM 1396 C TRP A 94 11.028 -2.145 5.220 1.00 0.00 C ATOM 1397 O TRP A 94 9.856 -2.027 5.565 1.00 0.00 O ATOM 1398 CB TRP A 94 11.118 0.193 4.281 1.00 0.00 C ATOM 1399 CG TRP A 94 11.823 1.493 4.063 1.00 0.00 C ATOM 1400 CD1 TRP A 94 11.623 2.625 4.779 1.00 0.00 C ATOM 1401 CD2 TRP A 94 12.761 1.851 3.003 1.00 0.00 C ATOM 1402 NE1 TRP A 94 12.369 3.646 4.229 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.080 3.230 3.130 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.357 1.160 1.930 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 13.934 3.888 2.237 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.213 1.806 1.021 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.502 3.174 1.170 1.00 0.00 C ATOM 0 H TRP A 94 12.980 -1.507 3.391 1.00 0.00 H new ATOM 0 HA TRP A 94 12.132 -0.528 6.046 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.841 -0.211 3.307 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.191 0.395 4.818 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.981 2.714 5.643 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.390 4.598 4.595 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.151 0.107 1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.154 4.937 2.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.650 1.249 0.205 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.156 3.672 0.469 1.00 0.00 H new ATOM 1418 N ILE A 95 11.567 -3.333 4.933 1.00 0.00 N ATOM 1419 CA ILE A 95 10.845 -4.597 5.044 1.00 0.00 C ATOM 1420 C ILE A 95 11.217 -5.199 6.401 1.00 0.00 C ATOM 1421 O ILE A 95 12.382 -5.532 6.634 1.00 0.00 O ATOM 1422 CB ILE A 95 11.141 -5.497 3.816 1.00 0.00 C ATOM 1423 CG1 ILE A 95 10.476 -4.865 2.572 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.591 -6.922 3.999 1.00 0.00 C ATOM 1425 CD1 ILE A 95 10.845 -5.488 1.225 1.00 0.00 C ATOM 0 H ILE A 95 12.529 -3.442 4.613 1.00 0.00 H new ATOM 0 HA ILE A 95 9.762 -4.471 5.022 1.00 0.00 H new ATOM 0 HB ILE A 95 12.222 -5.566 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.394 -4.924 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 95 10.736 -3.807 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 95 10.821 -7.517 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.051 -7.380 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.511 -6.880 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.320 -4.965 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.920 -5.405 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.558 -6.540 1.220 1.00 0.00 H new ATOM 1437 N GLN A 96 10.243 -5.332 7.303 1.00 0.00 N ATOM 1438 CA GLN A 96 10.389 -6.001 8.597 1.00 0.00 C ATOM 1439 C GLN A 96 9.463 -7.227 8.659 1.00 0.00 C ATOM 1440 O GLN A 96 8.535 -7.326 7.850 1.00 0.00 O ATOM 1441 CB GLN A 96 10.112 -5.019 9.757 1.00 0.00 C ATOM 1442 CG GLN A 96 8.874 -4.125 9.595 1.00 0.00 C ATOM 1443 CD GLN A 96 8.324 -3.625 10.937 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.121 -3.487 11.113 1.00 0.00 O ATOM 1445 NE2 GLN A 96 9.136 -3.321 11.931 1.00 0.00 N ATOM 0 H GLN A 96 9.303 -4.966 7.149 1.00 0.00 H new ATOM 0 HA GLN A 96 11.417 -6.346 8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.004 -5.594 10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.985 -4.379 9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.129 -3.269 8.970 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.095 -4.681 9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.144 -3.425 11.816 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.756 -2.982 12.815 1.00 0.00 H new ATOM 1454 N PRO A 97 9.690 -8.155 9.606 1.00 0.00 N ATOM 1455 CA PRO A 97 8.734 -9.208 9.902 1.00 0.00 C ATOM 1456 C PRO A 97 7.481 -8.622 10.568 1.00 0.00 C ATOM 1457 O PRO A 97 7.487 -7.488 11.061 1.00 0.00 O ATOM 1458 CB PRO A 97 9.459 -10.178 10.837 1.00 0.00 C ATOM 1459 CG PRO A 97 10.462 -9.285 11.558 1.00 0.00 C ATOM 1460 CD PRO A 97 10.824 -8.226 10.521 1.00 0.00 C ATOM 0 HA PRO A 97 8.395 -9.715 8.999 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.771 -10.655 11.535 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.955 -10.975 10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.027 -8.837 12.452 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.339 -9.847 11.878 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.004 -7.261 10.995 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.737 -8.496 9.990 1.00 0.00 H new ATOM 1468 N MET A 98 6.416 -9.414 10.593 1.00 0.00 N ATOM 1469 CA MET A 98 5.148 -9.162 11.256 1.00 0.00 C ATOM 1470 C MET A 98 5.250 -9.378 12.781 1.00 0.00 C ATOM 1471 O MET A 98 6.342 -9.514 13.344 1.00 0.00 O ATOM 1472 CB MET A 98 4.067 -10.027 10.566 1.00 0.00 C ATOM 1473 CG MET A 98 3.314 -9.236 9.492 1.00 0.00 C ATOM 1474 SD MET A 98 1.695 -9.921 9.025 1.00 0.00 S ATOM 1475 CE MET A 98 2.095 -10.675 7.430 1.00 0.00 C ATOM 0 H MET A 98 6.419 -10.315 10.114 1.00 0.00 H new ATOM 0 HA MET A 98 4.860 -8.116 11.153 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.534 -10.902 10.114 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.361 -10.392 11.312 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.171 -8.216 9.847 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.938 -9.178 8.600 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.177 -10.998 6.940 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.606 -9.946 6.801 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.744 -11.536 7.587 1.00 0.00 H new