USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.825 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.82,f=-2!) USER MOD Single : A 11 CYS SG : rot -174:sc= -8.55! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.144 USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.145) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 32 SER OG : rot -140:sc= -1.01 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0585 USER MOD Single : A 44 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.013) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= -0.1 K(o=-0.1,f=-6.4!) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -1.12 (180deg=-1.22) USER MOD Single : A 59 CYS SG : rot -78:sc= -0.371 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 64 SER OG : rot -10:sc= 0.554 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.790 -3.768 -9.812 1.00 0.00 N ATOM 102 CA ASP A 7 91.165 -4.432 -8.522 1.00 0.00 C ATOM 103 C ASP A 7 90.185 -4.029 -7.417 1.00 0.00 C ATOM 104 O ASP A 7 89.952 -4.776 -6.484 1.00 0.00 O ATOM 105 CB ASP A 7 92.579 -3.937 -8.198 1.00 0.00 C ATOM 106 CG ASP A 7 93.559 -4.410 -9.278 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.316 -5.456 -9.860 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.537 -3.718 -9.504 1.00 0.00 O ATOM 0 HA ASP A 7 91.131 -5.519 -8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.588 -2.849 -8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.890 -4.312 -7.223 1.00 0.00 H new ATOM 113 N TRP A 8 89.610 -2.854 -7.517 1.00 0.00 N ATOM 114 CA TRP A 8 88.667 -2.379 -6.460 1.00 0.00 C ATOM 115 C TRP A 8 87.297 -3.056 -6.589 1.00 0.00 C ATOM 116 O TRP A 8 86.493 -2.992 -5.682 1.00 0.00 O ATOM 117 CB TRP A 8 88.539 -0.869 -6.656 1.00 0.00 C ATOM 118 CG TRP A 8 89.640 -0.094 -6.007 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.322 0.919 -6.591 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.200 -0.252 -4.670 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.274 1.405 -5.705 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.252 0.724 -4.506 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.913 -1.141 -3.570 1.00 0.00 C ATOM 124 CZ2 TRP A 8 92.001 0.818 -3.293 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.663 -1.051 -2.348 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.706 -0.073 -2.211 1.00 0.00 C ATOM 0 H TRP A 8 89.755 -2.203 -8.289 1.00 0.00 H new ATOM 0 HA TRP A 8 89.041 -2.626 -5.466 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.528 -0.648 -7.723 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.583 -0.537 -6.252 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.152 1.291 -7.590 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.912 2.172 -5.915 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.130 -1.878 -3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.784 1.555 -3.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.442 -1.721 -1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.268 -0.009 -1.291 1.00 0.00 H new ATOM 137 N ILE A 9 87.012 -3.712 -7.696 1.00 0.00 N ATOM 138 CA ILE A 9 85.627 -4.257 -7.908 1.00 0.00 C ATOM 139 C ILE A 9 85.244 -5.190 -6.745 1.00 0.00 C ATOM 140 O ILE A 9 85.989 -6.078 -6.376 1.00 0.00 O ATOM 141 CB ILE A 9 85.675 -5.028 -9.241 1.00 0.00 C ATOM 142 CG1 ILE A 9 86.072 -4.088 -10.398 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.297 -5.634 -9.539 1.00 0.00 C ATOM 144 CD1 ILE A 9 85.088 -2.914 -10.503 1.00 0.00 C ATOM 0 H ILE A 9 87.671 -3.892 -8.453 1.00 0.00 H new ATOM 0 HA ILE A 9 84.878 -3.465 -7.941 1.00 0.00 H new ATOM 0 HB ILE A 9 86.419 -5.820 -9.154 1.00 0.00 H new ATOM 0 HG12 ILE A 9 87.081 -3.710 -10.236 1.00 0.00 H new ATOM 0 HG13 ILE A 9 86.086 -4.643 -11.336 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.335 -6.178 -10.483 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.019 -6.317 -8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.557 -4.837 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.385 -2.263 -11.325 1.00 0.00 H new ATOM 0 HD12 ILE A 9 84.084 -3.296 -10.688 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.095 -2.349 -9.571 1.00 0.00 H new ATOM 156 N GLY A 10 84.084 -4.981 -6.175 1.00 0.00 N ATOM 157 CA GLY A 10 83.653 -5.794 -4.998 1.00 0.00 C ATOM 158 C GLY A 10 84.201 -5.228 -3.676 1.00 0.00 C ATOM 159 O GLY A 10 83.926 -5.775 -2.621 1.00 0.00 O ATOM 0 H GLY A 10 83.412 -4.276 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.564 -5.823 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.995 -6.822 -5.122 1.00 0.00 H new ATOM 163 N CYS A 11 84.966 -4.149 -3.704 1.00 0.00 N ATOM 164 CA CYS A 11 85.503 -3.583 -2.418 1.00 0.00 C ATOM 165 C CYS A 11 84.444 -2.700 -1.730 1.00 0.00 C ATOM 166 O CYS A 11 83.559 -2.170 -2.374 1.00 0.00 O ATOM 167 CB CYS A 11 86.803 -2.815 -2.787 1.00 0.00 C ATOM 168 SG CYS A 11 86.485 -1.146 -3.454 1.00 0.00 S ATOM 0 H CYS A 11 85.236 -3.646 -4.549 1.00 0.00 H new ATOM 0 HA CYS A 11 85.737 -4.361 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.432 -2.732 -1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.363 -3.393 -3.522 1.00 0.00 H new ATOM 0 HG CYS A 11 87.602 -0.622 -3.863 1.00 0.00 H new ATOM 174 N ALA A 12 84.541 -2.547 -0.435 1.00 0.00 N ATOM 175 CA ALA A 12 83.478 -1.816 0.326 1.00 0.00 C ATOM 176 C ALA A 12 83.861 -0.345 0.486 1.00 0.00 C ATOM 177 O ALA A 12 84.866 -0.032 1.100 1.00 0.00 O ATOM 178 CB ALA A 12 83.436 -2.504 1.690 1.00 0.00 C ATOM 0 H ALA A 12 85.313 -2.897 0.133 1.00 0.00 H new ATOM 0 HA ALA A 12 82.513 -1.841 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.680 -2.028 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 12 83.188 -3.557 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.410 -2.418 2.171 1.00 0.00 H new ATOM 184 N VAL A 13 83.071 0.557 -0.050 1.00 0.00 N ATOM 185 CA VAL A 13 83.446 2.006 -0.001 1.00 0.00 C ATOM 186 C VAL A 13 82.247 2.876 0.392 1.00 0.00 C ATOM 187 O VAL A 13 81.104 2.504 0.194 1.00 0.00 O ATOM 188 CB VAL A 13 83.927 2.348 -1.417 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.140 1.485 -1.767 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.808 2.083 -2.432 1.00 0.00 C ATOM 0 H VAL A 13 82.187 0.353 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 13 84.216 2.195 0.747 1.00 0.00 H new ATOM 0 HB VAL A 13 84.201 3.402 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.481 1.728 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.942 1.679 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.862 0.432 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.160 2.329 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.525 1.031 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.943 2.700 -2.189 1.00 0.00 H new ATOM 200 N SER A 14 82.512 4.032 0.949 1.00 0.00 N ATOM 201 CA SER A 14 81.423 5.006 1.240 1.00 0.00 C ATOM 202 C SER A 14 81.669 6.286 0.448 1.00 0.00 C ATOM 203 O SER A 14 82.792 6.742 0.339 1.00 0.00 O ATOM 204 CB SER A 14 81.517 5.273 2.742 1.00 0.00 C ATOM 205 OG SER A 14 80.642 6.339 3.086 1.00 0.00 O ATOM 0 H SER A 14 83.446 4.342 1.216 1.00 0.00 H new ATOM 0 HA SER A 14 80.437 4.634 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.251 4.375 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.542 5.526 3.014 1.00 0.00 H new ATOM 0 HG SER A 14 80.699 6.511 4.049 1.00 0.00 H new ATOM 211 N ILE A 15 80.632 6.865 -0.103 1.00 0.00 N ATOM 212 CA ILE A 15 80.824 8.032 -1.015 1.00 0.00 C ATOM 213 C ILE A 15 80.075 9.247 -0.475 1.00 0.00 C ATOM 214 O ILE A 15 78.878 9.198 -0.252 1.00 0.00 O ATOM 215 CB ILE A 15 80.240 7.611 -2.380 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.765 6.223 -2.829 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.628 8.658 -3.430 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.297 6.167 -2.772 1.00 0.00 C ATOM 0 H ILE A 15 79.663 6.580 0.039 1.00 0.00 H new ATOM 0 HA ILE A 15 81.876 8.304 -1.099 1.00 0.00 H new ATOM 0 HB ILE A 15 79.157 7.543 -2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.346 5.447 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.428 6.014 -3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.220 8.370 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.226 9.629 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.714 8.720 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.637 5.182 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.714 6.927 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.630 6.352 -1.751 1.00 0.00 H new ATOM 230 N ALA A 16 80.775 10.334 -0.269 1.00 0.00 N ATOM 231 CA ALA A 16 80.109 11.593 0.168 1.00 0.00 C ATOM 232 C ALA A 16 79.889 12.499 -1.043 1.00 0.00 C ATOM 233 O ALA A 16 80.827 13.035 -1.604 1.00 0.00 O ATOM 234 CB ALA A 16 81.081 12.237 1.156 1.00 0.00 C ATOM 0 H ALA A 16 81.786 10.401 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 16 79.135 11.417 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.660 13.173 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.249 11.561 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.029 12.438 0.656 1.00 0.00 H new ATOM 240 N CYS A 17 78.657 12.664 -1.446 1.00 0.00 N ATOM 241 CA CYS A 17 78.340 13.549 -2.605 1.00 0.00 C ATOM 242 C CYS A 17 77.886 14.919 -2.102 1.00 0.00 C ATOM 243 O CYS A 17 77.596 15.089 -0.932 1.00 0.00 O ATOM 244 CB CYS A 17 77.199 12.855 -3.358 1.00 0.00 C ATOM 245 SG CYS A 17 77.718 11.204 -3.902 1.00 0.00 S ATOM 0 H CYS A 17 77.847 12.218 -1.016 1.00 0.00 H new ATOM 0 HA CYS A 17 79.207 13.705 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.324 12.775 -2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.905 13.454 -4.220 1.00 0.00 H new ATOM 0 HG CYS A 17 76.740 10.629 -4.536 1.00 0.00 H new ATOM 251 N ASP A 18 77.821 15.896 -2.973 1.00 0.00 N ATOM 252 CA ASP A 18 77.376 17.268 -2.549 1.00 0.00 C ATOM 253 C ASP A 18 75.982 17.201 -1.907 1.00 0.00 C ATOM 254 O ASP A 18 75.301 16.195 -1.981 1.00 0.00 O ATOM 255 CB ASP A 18 77.347 18.112 -3.825 1.00 0.00 C ATOM 256 CG ASP A 18 78.773 18.328 -4.330 1.00 0.00 C ATOM 257 OD1 ASP A 18 79.597 18.762 -3.543 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.018 18.057 -5.494 1.00 0.00 O ATOM 0 H ASP A 18 78.056 15.806 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 18 78.047 17.699 -1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.751 17.613 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 18 76.871 19.073 -3.627 1.00 0.00 H new ATOM 263 N GLU A 19 75.559 18.269 -1.281 1.00 0.00 N ATOM 264 CA GLU A 19 74.378 18.200 -0.355 1.00 0.00 C ATOM 265 C GLU A 19 73.144 17.612 -1.051 1.00 0.00 C ATOM 266 O GLU A 19 72.350 16.927 -0.431 1.00 0.00 O ATOM 267 CB GLU A 19 74.106 19.648 0.062 1.00 0.00 C ATOM 268 CG GLU A 19 75.282 20.177 0.894 1.00 0.00 C ATOM 269 CD GLU A 19 75.420 19.372 2.194 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.439 18.783 2.622 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.512 19.359 2.741 1.00 0.00 O ATOM 0 H GLU A 19 75.981 19.194 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 19 74.587 17.551 0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 19 73.964 20.270 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.184 19.703 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.204 20.109 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 19 75.127 21.231 1.126 1.00 0.00 H new ATOM 278 N VAL A 20 72.975 17.872 -2.325 1.00 0.00 N ATOM 279 CA VAL A 20 71.736 17.407 -3.030 1.00 0.00 C ATOM 280 C VAL A 20 71.796 15.889 -3.262 1.00 0.00 C ATOM 281 O VAL A 20 70.777 15.235 -3.379 1.00 0.00 O ATOM 282 CB VAL A 20 71.717 18.167 -4.363 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.487 17.761 -5.180 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.665 19.674 -4.091 1.00 0.00 C ATOM 0 H VAL A 20 73.638 18.384 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 20 70.834 17.600 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 20 72.619 17.923 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.482 18.305 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.520 16.690 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.583 17.999 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.652 20.214 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.764 19.911 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.543 19.971 -3.516 1.00 0.00 H new ATOM 294 N LEU A 21 72.981 15.332 -3.327 1.00 0.00 N ATOM 295 CA LEU A 21 73.120 13.856 -3.512 1.00 0.00 C ATOM 296 C LEU A 21 73.176 13.125 -2.160 1.00 0.00 C ATOM 297 O LEU A 21 72.938 11.933 -2.089 1.00 0.00 O ATOM 298 CB LEU A 21 74.438 13.697 -4.263 1.00 0.00 C ATOM 299 CG LEU A 21 74.284 14.223 -5.692 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.639 14.178 -6.400 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.287 13.346 -6.457 1.00 0.00 C ATOM 0 H LEU A 21 73.862 15.841 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 21 72.273 13.428 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.229 14.242 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.733 12.648 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 21 73.919 15.250 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.530 14.552 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.353 14.799 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.001 13.150 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.178 13.722 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.653 12.320 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.320 13.372 -5.955 1.00 0.00 H new ATOM 313 N GLY A 22 73.489 13.826 -1.093 1.00 0.00 N ATOM 314 CA GLY A 22 73.598 13.167 0.245 1.00 0.00 C ATOM 315 C GLY A 22 74.748 12.155 0.239 1.00 0.00 C ATOM 316 O GLY A 22 75.748 12.340 -0.432 1.00 0.00 O ATOM 0 H GLY A 22 73.674 14.829 -1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.768 13.918 1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.662 12.665 0.489 1.00 0.00 H new ATOM 320 N VAL A 23 74.611 11.085 0.984 1.00 0.00 N ATOM 321 CA VAL A 23 75.725 10.086 1.092 1.00 0.00 C ATOM 322 C VAL A 23 75.182 8.672 0.887 1.00 0.00 C ATOM 323 O VAL A 23 74.110 8.343 1.363 1.00 0.00 O ATOM 324 CB VAL A 23 76.280 10.230 2.516 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.488 9.301 2.691 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.715 11.678 2.769 1.00 0.00 C ATOM 0 H VAL A 23 73.775 10.858 1.523 1.00 0.00 H new ATOM 0 HA VAL A 23 76.494 10.259 0.339 1.00 0.00 H new ATOM 0 HB VAL A 23 75.500 9.961 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.882 9.403 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.180 8.269 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.261 9.570 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.107 11.768 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.490 11.955 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.858 12.341 2.651 1.00 0.00 H new ATOM 336 N PHE A 24 75.914 7.838 0.187 1.00 0.00 N ATOM 337 CA PHE A 24 75.514 6.402 0.083 1.00 0.00 C ATOM 338 C PHE A 24 76.719 5.494 0.354 1.00 0.00 C ATOM 339 O PHE A 24 77.856 5.908 0.242 1.00 0.00 O ATOM 340 CB PHE A 24 74.990 6.196 -1.347 1.00 0.00 C ATOM 341 CG PHE A 24 76.046 6.308 -2.428 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.781 5.140 -2.817 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.328 7.572 -3.049 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.793 5.231 -3.830 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.342 7.660 -4.060 1.00 0.00 C ATOM 346 CZ PHE A 24 78.072 6.491 -4.452 1.00 0.00 C ATOM 0 H PHE A 24 76.766 8.089 -0.314 1.00 0.00 H new ATOM 0 HA PHE A 24 74.749 6.150 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.526 5.212 -1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.209 6.930 -1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.573 4.190 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.778 8.454 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.344 4.350 -4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.556 8.610 -4.527 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.832 6.560 -5.216 1.00 0.00 H new ATOM 356 N GLN A 25 76.467 4.262 0.709 1.00 0.00 N ATOM 357 CA GLN A 25 77.575 3.283 0.917 1.00 0.00 C ATOM 358 C GLN A 25 77.189 1.938 0.297 1.00 0.00 C ATOM 359 O GLN A 25 76.038 1.545 0.335 1.00 0.00 O ATOM 360 CB GLN A 25 77.719 3.165 2.436 1.00 0.00 C ATOM 361 CG GLN A 25 78.112 4.530 3.012 1.00 0.00 C ATOM 362 CD GLN A 25 78.240 4.443 4.537 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.275 3.367 5.103 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.306 5.546 5.233 1.00 0.00 N ATOM 0 H GLN A 25 75.531 3.888 0.865 1.00 0.00 H new ATOM 0 HA GLN A 25 78.510 3.595 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.781 2.827 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.475 2.420 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 25 79.057 4.858 2.578 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.363 5.275 2.744 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.277 6.450 4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.387 5.504 6.249 1.00 0.00 H new ATOM 373 N GLY A 26 78.139 1.237 -0.272 1.00 0.00 N ATOM 374 CA GLY A 26 77.806 -0.029 -0.996 1.00 0.00 C ATOM 375 C GLY A 26 79.087 -0.704 -1.485 1.00 0.00 C ATOM 376 O GLY A 26 80.161 -0.129 -1.436 1.00 0.00 O ATOM 0 H GLY A 26 79.128 1.486 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.260 -0.702 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.153 0.187 -1.842 1.00 0.00 H new ATOM 380 N LEU A 27 78.979 -1.926 -1.950 1.00 0.00 N ATOM 381 CA LEU A 27 80.155 -2.605 -2.567 1.00 0.00 C ATOM 382 C LEU A 27 80.196 -2.321 -4.069 1.00 0.00 C ATOM 383 O LEU A 27 79.193 -2.401 -4.754 1.00 0.00 O ATOM 384 CB LEU A 27 79.945 -4.097 -2.306 1.00 0.00 C ATOM 385 CG LEU A 27 80.120 -4.384 -0.814 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.580 -5.781 -0.497 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.608 -4.319 -0.454 1.00 0.00 C ATOM 0 H LEU A 27 78.123 -2.481 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 27 81.099 -2.254 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.949 -4.397 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.659 -4.682 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 27 79.572 -3.642 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.704 -5.987 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.522 -5.829 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 27 80.129 -6.523 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.734 -4.523 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.155 -5.062 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.994 -3.325 -0.681 1.00 0.00 H new ATOM 399 N ILE A 28 81.352 -1.991 -4.575 1.00 0.00 N ATOM 400 CA ILE A 28 81.484 -1.658 -6.029 1.00 0.00 C ATOM 401 C ILE A 28 81.254 -2.912 -6.883 1.00 0.00 C ATOM 402 O ILE A 28 81.735 -3.982 -6.567 1.00 0.00 O ATOM 403 CB ILE A 28 82.925 -1.146 -6.195 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.130 0.100 -5.321 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.201 -0.795 -7.664 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.599 0.533 -5.375 1.00 0.00 C ATOM 0 H ILE A 28 82.220 -1.936 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 28 80.752 -0.917 -6.350 1.00 0.00 H new ATOM 0 HB ILE A 28 83.616 -1.930 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.489 0.910 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.842 -0.114 -4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.224 -0.434 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.066 -1.683 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.509 -0.018 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.741 1.417 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.230 -0.275 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 28 84.872 0.765 -6.404 1.00 0.00 H new ATOM 418 N LYS A 29 80.517 -2.779 -7.958 1.00 0.00 N ATOM 419 CA LYS A 29 80.415 -3.895 -8.944 1.00 0.00 C ATOM 420 C LYS A 29 81.161 -3.532 -10.232 1.00 0.00 C ATOM 421 O LYS A 29 81.636 -4.401 -10.942 1.00 0.00 O ATOM 422 CB LYS A 29 78.920 -4.065 -9.217 1.00 0.00 C ATOM 423 CG LYS A 29 78.707 -5.251 -10.160 1.00 0.00 C ATOM 424 CD LYS A 29 77.218 -5.390 -10.482 1.00 0.00 C ATOM 425 CE LYS A 29 76.998 -6.628 -11.354 1.00 0.00 C ATOM 426 NZ LYS A 29 76.987 -7.772 -10.400 1.00 0.00 N ATOM 0 H LYS A 29 79.981 -1.944 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 29 80.860 -4.815 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.385 -4.229 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.515 -3.156 -9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.276 -5.105 -11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.077 -6.167 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.642 -5.474 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.862 -4.499 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.059 -6.563 -11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.792 -6.737 -12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.568 -8.546 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.374 -7.465 -9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.011 -8.105 -10.268 1.00 0.00 H new ATOM 440 N GLN A 30 81.268 -2.259 -10.539 1.00 0.00 N ATOM 441 CA GLN A 30 81.981 -1.838 -11.786 1.00 0.00 C ATOM 442 C GLN A 30 82.590 -0.449 -11.590 1.00 0.00 C ATOM 443 O GLN A 30 82.057 0.372 -10.867 1.00 0.00 O ATOM 444 CB GLN A 30 80.921 -1.803 -12.894 1.00 0.00 C ATOM 445 CG GLN A 30 80.438 -3.223 -13.213 1.00 0.00 C ATOM 446 CD GLN A 30 79.494 -3.183 -14.419 1.00 0.00 C ATOM 447 OE1 GLN A 30 78.907 -2.161 -14.715 1.00 0.00 O ATOM 448 NE2 GLN A 30 79.322 -4.262 -15.132 1.00 0.00 N ATOM 0 H GLN A 30 80.892 -1.494 -9.978 1.00 0.00 H new ATOM 0 HA GLN A 30 82.791 -2.522 -12.038 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.078 -1.187 -12.581 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.337 -1.343 -13.790 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.290 -3.869 -13.426 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.925 -3.646 -12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 30 79.814 -5.121 -14.885 1.00 0.00 H new ATOM 0 HE22 GLN A 30 78.695 -4.247 -15.937 1.00 0.00 H new ATOM 457 N ILE A 31 83.703 -0.184 -12.231 1.00 0.00 N ATOM 458 CA ILE A 31 84.352 1.156 -12.098 1.00 0.00 C ATOM 459 C ILE A 31 84.892 1.611 -13.456 1.00 0.00 C ATOM 460 O ILE A 31 85.407 0.825 -14.230 1.00 0.00 O ATOM 461 CB ILE A 31 85.494 0.982 -11.084 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.919 0.507 -9.740 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.226 2.323 -10.889 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.050 0.271 -8.729 1.00 0.00 C ATOM 0 H ILE A 31 84.190 -0.840 -12.842 1.00 0.00 H new ATOM 0 HA ILE A 31 83.647 1.915 -11.761 1.00 0.00 H new ATOM 0 HB ILE A 31 86.199 0.240 -11.459 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.224 1.251 -9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.353 -0.413 -9.884 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.035 2.195 -10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.638 2.655 -11.842 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.524 3.070 -10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.627 -0.065 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.729 -0.490 -9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.598 1.200 -8.572 1.00 0.00 H new ATOM 476 N SER A 32 84.773 2.880 -13.739 1.00 0.00 N ATOM 477 CA SER A 32 85.385 3.450 -14.974 1.00 0.00 C ATOM 478 C SER A 32 85.854 4.877 -14.690 1.00 0.00 C ATOM 479 O SER A 32 85.381 5.517 -13.770 1.00 0.00 O ATOM 480 CB SER A 32 84.272 3.444 -16.019 1.00 0.00 C ATOM 481 OG SER A 32 83.241 4.335 -15.613 1.00 0.00 O ATOM 0 H SER A 32 84.272 3.554 -13.160 1.00 0.00 H new ATOM 0 HA SER A 32 86.250 2.881 -15.316 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.667 3.745 -16.989 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.873 2.437 -16.136 1.00 0.00 H new ATOM 0 HG SER A 32 82.368 3.939 -15.816 1.00 0.00 H new ATOM 487 N ALA A 33 86.769 5.382 -15.477 1.00 0.00 N ATOM 488 CA ALA A 33 87.418 6.695 -15.146 1.00 0.00 C ATOM 489 C ALA A 33 86.372 7.804 -14.954 1.00 0.00 C ATOM 490 O ALA A 33 86.627 8.787 -14.282 1.00 0.00 O ATOM 491 CB ALA A 33 88.316 7.015 -16.344 1.00 0.00 C ATOM 0 H ALA A 33 87.098 4.944 -16.337 1.00 0.00 H new ATOM 0 HA ALA A 33 87.978 6.635 -14.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.825 7.964 -16.174 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.055 6.223 -16.466 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.708 7.086 -17.246 1.00 0.00 H new ATOM 497 N GLU A 34 85.204 7.655 -15.535 1.00 0.00 N ATOM 498 CA GLU A 34 84.194 8.756 -15.492 1.00 0.00 C ATOM 499 C GLU A 34 83.225 8.581 -14.315 1.00 0.00 C ATOM 500 O GLU A 34 82.668 9.546 -13.824 1.00 0.00 O ATOM 501 CB GLU A 34 83.447 8.659 -16.822 1.00 0.00 C ATOM 502 CG GLU A 34 84.419 8.924 -17.977 1.00 0.00 C ATOM 503 CD GLU A 34 83.675 8.900 -19.322 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.583 8.353 -19.377 1.00 0.00 O ATOM 505 OE2 GLU A 34 84.214 9.432 -20.278 1.00 0.00 O ATOM 0 H GLU A 34 84.909 6.817 -16.037 1.00 0.00 H new ATOM 0 HA GLU A 34 84.667 9.728 -15.352 1.00 0.00 H new ATOM 0 HB2 GLU A 34 83.000 7.671 -16.929 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.631 9.382 -16.846 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.902 9.891 -17.839 1.00 0.00 H new ATOM 0 HG3 GLU A 34 85.207 8.171 -17.977 1.00 0.00 H new ATOM 512 N GLU A 35 83.019 7.366 -13.855 1.00 0.00 N ATOM 513 CA GLU A 35 81.931 7.116 -12.856 1.00 0.00 C ATOM 514 C GLU A 35 82.211 5.848 -12.036 1.00 0.00 C ATOM 515 O GLU A 35 82.967 4.988 -12.442 1.00 0.00 O ATOM 516 CB GLU A 35 80.651 6.961 -13.687 1.00 0.00 C ATOM 517 CG GLU A 35 80.796 5.789 -14.664 1.00 0.00 C ATOM 518 CD GLU A 35 79.567 5.727 -15.573 1.00 0.00 C ATOM 519 OE1 GLU A 35 79.237 6.744 -16.161 1.00 0.00 O ATOM 520 OE2 GLU A 35 78.975 4.664 -15.664 1.00 0.00 O ATOM 0 H GLU A 35 83.555 6.542 -14.128 1.00 0.00 H new ATOM 0 HA GLU A 35 81.852 7.929 -12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.799 6.792 -13.029 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.452 7.881 -14.237 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.699 5.911 -15.263 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.902 4.854 -14.114 1.00 0.00 H new ATOM 527 N ILE A 36 81.600 5.739 -10.881 1.00 0.00 N ATOM 528 CA ILE A 36 81.697 4.475 -10.081 1.00 0.00 C ATOM 529 C ILE A 36 80.301 3.860 -9.916 1.00 0.00 C ATOM 530 O ILE A 36 79.326 4.572 -9.747 1.00 0.00 O ATOM 531 CB ILE A 36 82.259 4.899 -8.715 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.608 5.624 -8.887 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.451 3.660 -7.835 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.623 4.715 -9.594 1.00 0.00 C ATOM 0 H ILE A 36 81.035 6.474 -10.455 1.00 0.00 H new ATOM 0 HA ILE A 36 82.330 3.729 -10.562 1.00 0.00 H new ATOM 0 HB ILE A 36 81.553 5.582 -8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.465 6.537 -9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.995 5.921 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.850 3.960 -6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.492 3.162 -7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.148 2.975 -8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.569 5.244 -9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.780 3.814 -9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.242 4.440 -10.578 1.00 0.00 H new ATOM 546 N THR A 37 80.195 2.548 -9.965 1.00 0.00 N ATOM 547 CA THR A 37 78.853 1.895 -9.856 1.00 0.00 C ATOM 548 C THR A 37 78.854 0.849 -8.733 1.00 0.00 C ATOM 549 O THR A 37 79.744 0.022 -8.650 1.00 0.00 O ATOM 550 CB THR A 37 78.631 1.222 -11.211 1.00 0.00 C ATOM 551 OG1 THR A 37 78.754 2.190 -12.244 1.00 0.00 O ATOM 552 CG2 THR A 37 77.235 0.600 -11.253 1.00 0.00 C ATOM 0 H THR A 37 80.980 1.906 -10.076 1.00 0.00 H new ATOM 0 HA THR A 37 78.067 2.611 -9.618 1.00 0.00 H new ATOM 0 HB THR A 37 79.377 0.440 -11.355 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.614 1.760 -13.113 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.079 0.121 -12.220 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.144 -0.143 -10.461 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.485 1.378 -11.109 1.00 0.00 H new ATOM 560 N ILE A 38 77.860 0.880 -7.876 1.00 0.00 N ATOM 561 CA ILE A 38 77.803 -0.089 -6.731 1.00 0.00 C ATOM 562 C ILE A 38 76.413 -0.732 -6.645 1.00 0.00 C ATOM 563 O ILE A 38 75.486 -0.317 -7.318 1.00 0.00 O ATOM 564 CB ILE A 38 78.082 0.726 -5.458 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.079 1.881 -5.348 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.506 1.287 -5.496 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.830 2.207 -3.876 1.00 0.00 C ATOM 0 H ILE A 38 77.082 1.538 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 38 78.530 -0.890 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 38 77.977 0.073 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.463 2.760 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.142 1.609 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.694 1.863 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.219 0.465 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.619 1.933 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.117 3.028 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.427 1.329 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.769 2.497 -3.404 1.00 0.00 H new ATOM 579 N VAL A 39 76.266 -1.738 -5.815 1.00 0.00 N ATOM 580 CA VAL A 39 74.956 -2.464 -5.721 1.00 0.00 C ATOM 581 C VAL A 39 74.511 -2.598 -4.260 1.00 0.00 C ATOM 582 O VAL A 39 75.294 -2.429 -3.345 1.00 0.00 O ATOM 583 CB VAL A 39 75.198 -3.842 -6.345 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.577 -3.670 -7.816 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.333 -4.563 -5.606 1.00 0.00 C ATOM 0 H VAL A 39 76.998 -2.089 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 39 74.162 -1.925 -6.238 1.00 0.00 H new ATOM 0 HB VAL A 39 74.288 -4.437 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.750 -4.649 -8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.767 -3.167 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.485 -3.071 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.497 -5.542 -6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.246 -3.973 -5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.063 -4.688 -4.557 1.00 0.00 H new ATOM 595 N ARG A 40 73.249 -2.899 -4.038 1.00 0.00 N ATOM 596 CA ARG A 40 72.693 -2.957 -2.639 1.00 0.00 C ATOM 597 C ARG A 40 72.957 -1.636 -1.908 1.00 0.00 C ATOM 598 O ARG A 40 73.422 -1.615 -0.784 1.00 0.00 O ATOM 599 CB ARG A 40 73.412 -4.119 -1.942 1.00 0.00 C ATOM 600 CG ARG A 40 73.164 -5.416 -2.715 1.00 0.00 C ATOM 601 CD ARG A 40 71.681 -5.791 -2.622 1.00 0.00 C ATOM 602 NE ARG A 40 71.571 -7.122 -3.301 1.00 0.00 N ATOM 603 CZ ARG A 40 70.420 -7.568 -3.775 1.00 0.00 C ATOM 604 NH1 ARG A 40 69.308 -6.872 -3.675 1.00 0.00 N ATOM 605 NH2 ARG A 40 70.386 -8.735 -4.359 1.00 0.00 N ATOM 0 H ARG A 40 72.573 -3.109 -4.772 1.00 0.00 H new ATOM 0 HA ARG A 40 71.614 -3.110 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.482 -3.916 -1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.053 -4.220 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.454 -5.291 -3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.779 -6.218 -2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.354 -5.850 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.055 -5.046 -3.112 1.00 0.00 H new ATOM 0 HE ARG A 40 72.406 -7.699 -3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 40 69.317 -5.959 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 40 68.437 -7.246 -4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.239 -9.288 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 40 69.506 -9.094 -4.730 1.00 0.00 H new ATOM 619 N ALA A 41 72.657 -0.540 -2.553 1.00 0.00 N ATOM 620 CA ALA A 41 73.054 0.797 -2.007 1.00 0.00 C ATOM 621 C ALA A 41 72.269 1.149 -0.739 1.00 0.00 C ATOM 622 O ALA A 41 71.075 0.915 -0.635 1.00 0.00 O ATOM 623 CB ALA A 41 72.730 1.795 -3.118 1.00 0.00 C ATOM 0 H ALA A 41 72.152 -0.510 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 41 74.107 0.808 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 41 72.994 2.801 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 41 73.300 1.542 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 41 71.664 1.755 -3.344 1.00 0.00 H new ATOM 629 N PHE A 42 72.944 1.716 0.225 1.00 0.00 N ATOM 630 CA PHE A 42 72.243 2.327 1.391 1.00 0.00 C ATOM 631 C PHE A 42 72.507 3.835 1.398 1.00 0.00 C ATOM 632 O PHE A 42 73.598 4.272 1.090 1.00 0.00 O ATOM 633 CB PHE A 42 72.857 1.666 2.629 1.00 0.00 C ATOM 634 CG PHE A 42 72.149 0.403 3.084 1.00 0.00 C ATOM 635 CD1 PHE A 42 71.852 -0.655 2.154 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.774 0.266 4.462 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.183 -1.840 2.607 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.104 -0.920 4.912 1.00 0.00 C ATOM 639 CZ PHE A 42 70.809 -1.973 3.985 1.00 0.00 C ATOM 0 H PHE A 42 73.961 1.782 0.254 1.00 0.00 H new ATOM 0 HA PHE A 42 71.164 2.178 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 42 73.900 1.427 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 42 72.854 2.385 3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 42 72.133 -0.556 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.997 1.058 5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 42 70.960 -2.634 1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.822 -1.020 5.950 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.305 -2.866 4.324 1.00 0.00 H new ATOM 649 N ARG A 43 71.524 4.626 1.746 1.00 0.00 N ATOM 650 CA ARG A 43 71.699 6.112 1.710 1.00 0.00 C ATOM 651 C ARG A 43 71.138 6.736 2.988 1.00 0.00 C ATOM 652 O ARG A 43 70.144 6.288 3.522 1.00 0.00 O ATOM 653 CB ARG A 43 70.900 6.576 0.492 1.00 0.00 C ATOM 654 CG ARG A 43 71.120 8.074 0.277 1.00 0.00 C ATOM 655 CD ARG A 43 70.343 8.534 -0.959 1.00 0.00 C ATOM 656 NE ARG A 43 68.898 8.427 -0.575 1.00 0.00 N ATOM 657 CZ ARG A 43 67.940 8.346 -1.484 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.200 8.357 -2.773 1.00 0.00 N ATOM 659 NH2 ARG A 43 66.700 8.253 -1.089 1.00 0.00 N ATOM 0 H ARG A 43 70.605 4.307 2.054 1.00 0.00 H new ATOM 0 HA ARG A 43 72.747 6.405 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.211 6.021 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.840 6.371 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.790 8.630 1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.182 8.281 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.604 9.557 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.569 7.908 -1.822 1.00 0.00 H new ATOM 0 HE ARG A 43 68.647 8.416 0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.164 8.430 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 43 67.438 8.293 -3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 43 66.481 8.244 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 65.949 8.190 -1.776 1.00 0.00 H new ATOM 673 N ASN A 44 71.775 7.770 3.488 1.00 0.00 N ATOM 674 CA ASN A 44 71.288 8.448 4.741 1.00 0.00 C ATOM 675 C ASN A 44 71.102 7.433 5.880 1.00 0.00 C ATOM 676 O ASN A 44 70.146 7.501 6.632 1.00 0.00 O ATOM 677 CB ASN A 44 69.946 9.093 4.370 1.00 0.00 C ATOM 678 CG ASN A 44 70.145 10.080 3.216 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.376 10.094 2.275 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.151 10.912 3.246 1.00 0.00 N ATOM 0 H ASN A 44 72.617 8.178 3.082 1.00 0.00 H new ATOM 0 HA ASN A 44 72.007 9.186 5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.230 8.323 4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.529 9.610 5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.290 11.572 2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.798 10.902 4.035 1.00 0.00 H new ATOM 687 N GLY A 45 72.011 6.499 6.006 1.00 0.00 N ATOM 688 CA GLY A 45 71.954 5.523 7.138 1.00 0.00 C ATOM 689 C GLY A 45 70.669 4.685 7.078 1.00 0.00 C ATOM 690 O GLY A 45 70.239 4.138 8.078 1.00 0.00 O ATOM 0 H GLY A 45 72.796 6.370 5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.823 4.866 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.000 6.058 8.087 1.00 0.00 H new ATOM 694 N VAL A 46 70.055 4.577 5.923 1.00 0.00 N ATOM 695 CA VAL A 46 68.884 3.660 5.770 1.00 0.00 C ATOM 696 C VAL A 46 68.885 3.047 4.352 1.00 0.00 C ATOM 697 O VAL A 46 69.372 3.662 3.429 1.00 0.00 O ATOM 698 CB VAL A 46 67.656 4.553 6.010 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.358 3.793 5.703 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.642 4.975 7.477 1.00 0.00 C ATOM 0 H VAL A 46 70.316 5.086 5.079 1.00 0.00 H new ATOM 0 HA VAL A 46 68.900 2.820 6.465 1.00 0.00 H new ATOM 0 HB VAL A 46 67.717 5.421 5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.503 4.446 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.361 3.474 4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.287 2.918 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.776 5.610 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.587 4.089 8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.553 5.528 7.705 1.00 0.00 H new ATOM 710 N PRO A 47 68.341 1.851 4.215 1.00 0.00 N ATOM 711 CA PRO A 47 68.393 1.154 2.902 1.00 0.00 C ATOM 712 C PRO A 47 67.531 1.894 1.875 1.00 0.00 C ATOM 713 O PRO A 47 66.531 2.499 2.221 1.00 0.00 O ATOM 714 CB PRO A 47 67.822 -0.241 3.188 1.00 0.00 C ATOM 715 CG PRO A 47 67.731 -0.353 4.680 1.00 0.00 C ATOM 716 CD PRO A 47 67.637 1.044 5.224 1.00 0.00 C ATOM 0 HA PRO A 47 69.400 1.110 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.842 -0.363 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.467 -1.018 2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.858 -0.938 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.606 -0.865 5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.601 1.361 5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.107 1.126 6.204 1.00 0.00 H new ATOM 724 N LEU A 48 67.909 1.852 0.617 1.00 0.00 N ATOM 725 CA LEU A 48 67.061 2.481 -0.444 1.00 0.00 C ATOM 726 C LEU A 48 65.848 1.597 -0.739 1.00 0.00 C ATOM 727 O LEU A 48 65.878 0.398 -0.532 1.00 0.00 O ATOM 728 CB LEU A 48 67.962 2.593 -1.678 1.00 0.00 C ATOM 729 CG LEU A 48 69.186 3.458 -1.355 1.00 0.00 C ATOM 730 CD1 LEU A 48 70.111 3.501 -2.572 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.737 4.884 -1.017 1.00 0.00 C ATOM 0 H LEU A 48 68.765 1.411 0.282 1.00 0.00 H new ATOM 0 HA LEU A 48 66.680 3.456 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.281 1.601 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.405 3.031 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 48 69.714 3.030 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.982 4.115 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.434 2.490 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.576 3.928 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.610 5.496 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 48 68.208 5.311 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 48 68.073 4.861 -0.153 1.00 0.00 H new ATOM 743 N ARG A 49 64.777 2.183 -1.223 1.00 0.00 N ATOM 744 CA ARG A 49 63.509 1.407 -1.440 1.00 0.00 C ATOM 745 C ARG A 49 63.762 0.180 -2.327 1.00 0.00 C ATOM 746 O ARG A 49 63.196 -0.875 -2.110 1.00 0.00 O ATOM 747 CB ARG A 49 62.555 2.378 -2.139 1.00 0.00 C ATOM 748 CG ARG A 49 61.184 1.718 -2.304 1.00 0.00 C ATOM 749 CD ARG A 49 60.492 1.631 -0.941 1.00 0.00 C ATOM 750 NE ARG A 49 59.204 0.917 -1.208 1.00 0.00 N ATOM 751 CZ ARG A 49 59.154 -0.396 -1.359 1.00 0.00 C ATOM 752 NH1 ARG A 49 60.230 -1.148 -1.283 1.00 0.00 N ATOM 753 NH2 ARG A 49 58.000 -0.962 -1.590 1.00 0.00 N ATOM 0 H ARG A 49 64.725 3.169 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 49 63.102 1.035 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.461 3.295 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 49 62.955 2.659 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 49 60.572 2.294 -2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 49 61.297 0.721 -2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 49 61.104 1.087 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.315 2.622 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 49 58.342 1.458 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 49 61.139 -0.721 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 49 60.156 -2.158 -1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 49 57.156 -0.393 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 49 57.943 -1.973 -1.709 1.00 0.00 H new ATOM 767 N LYS A 50 64.607 0.317 -3.320 1.00 0.00 N ATOM 768 CA LYS A 50 64.933 -0.844 -4.201 1.00 0.00 C ATOM 769 C LYS A 50 66.267 -1.467 -3.780 1.00 0.00 C ATOM 770 O LYS A 50 67.324 -0.931 -4.054 1.00 0.00 O ATOM 771 CB LYS A 50 65.036 -0.256 -5.609 1.00 0.00 C ATOM 772 CG LYS A 50 63.675 0.302 -6.031 1.00 0.00 C ATOM 773 CD LYS A 50 63.747 0.784 -7.481 1.00 0.00 C ATOM 774 CE LYS A 50 62.425 1.453 -7.864 1.00 0.00 C ATOM 775 NZ LYS A 50 61.520 0.329 -8.239 1.00 0.00 N ATOM 0 H LYS A 50 65.085 1.186 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 50 64.182 -1.632 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.787 0.534 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.360 -1.023 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.908 -0.466 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.389 1.126 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.571 1.488 -7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.947 -0.057 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.018 2.027 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 50 62.559 2.146 -8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 60.627 0.711 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 61.976 -0.256 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.324 -0.254 -7.400 1.00 0.00 H new ATOM 789 N GLN A 51 66.217 -2.597 -3.116 1.00 0.00 N ATOM 790 CA GLN A 51 67.480 -3.281 -2.688 1.00 0.00 C ATOM 791 C GLN A 51 68.305 -3.676 -3.915 1.00 0.00 C ATOM 792 O GLN A 51 69.521 -3.632 -3.895 1.00 0.00 O ATOM 793 CB GLN A 51 67.031 -4.528 -1.922 1.00 0.00 C ATOM 794 CG GLN A 51 66.281 -4.109 -0.656 1.00 0.00 C ATOM 795 CD GLN A 51 65.781 -5.352 0.086 1.00 0.00 C ATOM 796 OE1 GLN A 51 65.643 -6.410 -0.496 1.00 0.00 O ATOM 797 NE2 GLN A 51 65.500 -5.267 1.358 1.00 0.00 N ATOM 0 H GLN A 51 65.356 -3.076 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 51 68.106 -2.635 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 51 66.387 -5.142 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 51 67.896 -5.137 -1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.938 -3.528 -0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 51 65.440 -3.467 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.615 -4.380 1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.165 -6.088 1.862 1.00 0.00 H new ATOM 806 N ASN A 52 67.646 -4.060 -4.979 1.00 0.00 N ATOM 807 CA ASN A 52 68.376 -4.498 -6.210 1.00 0.00 C ATOM 808 C ASN A 52 68.718 -3.305 -7.125 1.00 0.00 C ATOM 809 O ASN A 52 69.279 -3.490 -8.191 1.00 0.00 O ATOM 810 CB ASN A 52 67.418 -5.472 -6.909 1.00 0.00 C ATOM 811 CG ASN A 52 66.123 -4.753 -7.306 1.00 0.00 C ATOM 812 OD1 ASN A 52 65.828 -3.684 -6.808 1.00 0.00 O ATOM 813 ND2 ASN A 52 65.333 -5.300 -8.189 1.00 0.00 N ATOM 0 H ASN A 52 66.629 -4.089 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 52 69.332 -4.962 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 52 67.896 -5.890 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 52 67.190 -6.307 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 52 64.469 -4.831 -8.461 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.579 -6.197 -8.608 1.00 0.00 H new ATOM 820 N ALA A 53 68.390 -2.092 -6.727 1.00 0.00 N ATOM 821 CA ALA A 53 68.627 -0.917 -7.625 1.00 0.00 C ATOM 822 C ALA A 53 70.119 -0.580 -7.669 1.00 0.00 C ATOM 823 O ALA A 53 70.788 -0.559 -6.652 1.00 0.00 O ATOM 824 CB ALA A 53 67.834 0.237 -7.006 1.00 0.00 C ATOM 0 H ALA A 53 67.971 -1.870 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 53 68.313 -1.116 -8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 53 67.962 1.133 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 53 66.777 -0.027 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.198 0.428 -5.996 1.00 0.00 H new ATOM 830 N GLU A 54 70.639 -0.316 -8.843 1.00 0.00 N ATOM 831 CA GLU A 54 72.090 0.025 -8.970 1.00 0.00 C ATOM 832 C GLU A 54 72.301 1.541 -8.835 1.00 0.00 C ATOM 833 O GLU A 54 71.524 2.331 -9.341 1.00 0.00 O ATOM 834 CB GLU A 54 72.513 -0.486 -10.362 1.00 0.00 C ATOM 835 CG GLU A 54 71.830 0.315 -11.486 1.00 0.00 C ATOM 836 CD GLU A 54 72.248 -0.249 -12.846 1.00 0.00 C ATOM 837 OE1 GLU A 54 72.465 -1.447 -12.929 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.345 0.528 -13.782 1.00 0.00 O ATOM 0 H GLU A 54 70.119 -0.322 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 54 72.690 -0.435 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.595 -0.411 -10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.256 -1.541 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 54 70.747 0.263 -11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.107 1.367 -11.417 1.00 0.00 H new ATOM 845 N VAL A 55 73.347 1.944 -8.156 1.00 0.00 N ATOM 846 CA VAL A 55 73.666 3.401 -8.047 1.00 0.00 C ATOM 847 C VAL A 55 74.883 3.724 -8.915 1.00 0.00 C ATOM 848 O VAL A 55 75.949 3.168 -8.723 1.00 0.00 O ATOM 849 CB VAL A 55 73.986 3.628 -6.563 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.356 5.098 -6.319 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.760 3.277 -5.719 1.00 0.00 C ATOM 0 H VAL A 55 73.996 1.324 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 55 72.848 4.037 -8.385 1.00 0.00 H new ATOM 0 HB VAL A 55 74.827 2.994 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.581 5.246 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.231 5.357 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.520 5.736 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 55 72.986 3.438 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 55 71.923 3.911 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.496 2.232 -5.878 1.00 0.00 H new ATOM 861 N VAL A 56 74.728 4.613 -9.864 1.00 0.00 N ATOM 862 CA VAL A 56 75.892 5.026 -10.705 1.00 0.00 C ATOM 863 C VAL A 56 76.066 6.541 -10.615 1.00 0.00 C ATOM 864 O VAL A 56 75.218 7.298 -11.050 1.00 0.00 O ATOM 865 CB VAL A 56 75.562 4.600 -12.139 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.761 4.917 -13.033 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.285 3.090 -12.196 1.00 0.00 C ATOM 0 H VAL A 56 73.845 5.070 -10.092 1.00 0.00 H new ATOM 0 HA VAL A 56 76.822 4.564 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 56 74.677 5.138 -12.479 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.540 4.619 -14.058 1.00 0.00 H new ATOM 0 HG12 VAL A 56 76.965 5.987 -13.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.635 4.371 -12.677 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.052 2.801 -13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.166 2.545 -11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.440 2.850 -11.550 1.00 0.00 H new ATOM 877 N LEU A 57 77.160 6.979 -10.055 1.00 0.00 N ATOM 878 CA LEU A 57 77.341 8.435 -9.786 1.00 0.00 C ATOM 879 C LEU A 57 78.678 8.922 -10.350 1.00 0.00 C ATOM 880 O LEU A 57 79.693 8.262 -10.221 1.00 0.00 O ATOM 881 CB LEU A 57 77.270 8.533 -8.265 1.00 0.00 C ATOM 882 CG LEU A 57 75.793 8.583 -7.853 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.611 7.948 -6.479 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.337 10.043 -7.784 1.00 0.00 C ATOM 0 H LEU A 57 77.941 6.388 -9.770 1.00 0.00 H new ATOM 0 HA LEU A 57 76.591 9.066 -10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.763 7.676 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.791 9.425 -7.917 1.00 0.00 H new ATOM 0 HG LEU A 57 75.202 8.036 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.559 7.989 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.938 6.909 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.206 8.492 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.288 10.083 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.939 10.578 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.459 10.509 -8.762 1.00 0.00 H new ATOM 896 N LYS A 58 78.678 10.074 -10.976 1.00 0.00 N ATOM 897 CA LYS A 58 79.910 10.559 -11.674 1.00 0.00 C ATOM 898 C LYS A 58 80.946 11.041 -10.655 1.00 0.00 C ATOM 899 O LYS A 58 80.605 11.548 -9.604 1.00 0.00 O ATOM 900 CB LYS A 58 79.444 11.726 -12.552 1.00 0.00 C ATOM 901 CG LYS A 58 80.527 12.060 -13.580 1.00 0.00 C ATOM 902 CD LYS A 58 80.424 11.093 -14.761 1.00 0.00 C ATOM 903 CE LYS A 58 81.494 11.441 -15.799 1.00 0.00 C ATOM 904 NZ LYS A 58 80.935 10.971 -17.097 1.00 0.00 N ATOM 0 H LYS A 58 77.876 10.701 -11.034 1.00 0.00 H new ATOM 0 HA LYS A 58 80.382 9.771 -12.260 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.515 11.464 -13.059 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.234 12.599 -11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.411 13.087 -13.926 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.513 11.988 -13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 58 80.555 10.067 -14.417 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.433 11.154 -15.210 1.00 0.00 H new ATOM 0 HE2 LYS A 58 81.692 12.513 -15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 58 82.439 10.947 -15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 81.676 11.001 -17.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 80.591 9.995 -16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.147 11.588 -17.379 1.00 0.00 H new ATOM 918 N CYS A 59 82.211 10.884 -10.959 1.00 0.00 N ATOM 919 CA CYS A 59 83.287 11.468 -10.088 1.00 0.00 C ATOM 920 C CYS A 59 83.066 12.976 -9.886 1.00 0.00 C ATOM 921 O CYS A 59 83.397 13.529 -8.854 1.00 0.00 O ATOM 922 CB CYS A 59 84.609 11.208 -10.833 1.00 0.00 C ATOM 923 SG CYS A 59 84.575 11.972 -12.481 1.00 0.00 S ATOM 0 H CYS A 59 82.549 10.375 -11.776 1.00 0.00 H new ATOM 0 HA CYS A 59 83.288 11.017 -9.096 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.442 11.610 -10.257 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.775 10.135 -10.927 1.00 0.00 H new ATOM 0 HG CYS A 59 83.874 11.232 -13.288 1.00 0.00 H new ATOM 929 N THR A 60 82.505 13.634 -10.871 1.00 0.00 N ATOM 930 CA THR A 60 82.364 15.124 -10.811 1.00 0.00 C ATOM 931 C THR A 60 81.429 15.542 -9.669 1.00 0.00 C ATOM 932 O THR A 60 81.648 16.556 -9.031 1.00 0.00 O ATOM 933 CB THR A 60 81.768 15.535 -12.162 1.00 0.00 C ATOM 934 OG1 THR A 60 80.506 14.906 -12.332 1.00 0.00 O ATOM 935 CG2 THR A 60 82.708 15.111 -13.292 1.00 0.00 C ATOM 0 H THR A 60 82.137 13.202 -11.718 1.00 0.00 H new ATOM 0 HA THR A 60 83.323 15.606 -10.623 1.00 0.00 H new ATOM 0 HB THR A 60 81.642 16.617 -12.187 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.123 15.169 -13.195 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.280 15.405 -14.251 1.00 0.00 H new ATOM 0 HG22 THR A 60 83.675 15.596 -13.162 1.00 0.00 H new ATOM 0 HG23 THR A 60 82.839 14.029 -13.270 1.00 0.00 H new ATOM 943 N ASP A 61 80.393 14.776 -9.404 1.00 0.00 N ATOM 944 CA ASP A 61 79.426 15.168 -8.328 1.00 0.00 C ATOM 945 C ASP A 61 79.834 14.571 -6.966 1.00 0.00 C ATOM 946 O ASP A 61 79.296 14.945 -5.941 1.00 0.00 O ATOM 947 CB ASP A 61 78.055 14.641 -8.783 1.00 0.00 C ATOM 948 CG ASP A 61 78.050 13.109 -8.841 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.724 12.499 -7.837 1.00 0.00 O ATOM 950 OD2 ASP A 61 78.371 12.577 -9.888 1.00 0.00 O ATOM 0 H ASP A 61 80.178 13.902 -9.884 1.00 0.00 H new ATOM 0 HA ASP A 61 79.406 16.248 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 61 77.282 14.985 -8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.812 15.047 -9.765 1.00 0.00 H new ATOM 955 N ILE A 62 80.775 13.652 -6.949 1.00 0.00 N ATOM 956 CA ILE A 62 81.300 13.132 -5.648 1.00 0.00 C ATOM 957 C ILE A 62 82.384 14.076 -5.115 1.00 0.00 C ATOM 958 O ILE A 62 83.233 14.537 -5.857 1.00 0.00 O ATOM 959 CB ILE A 62 81.895 11.754 -5.973 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.806 10.845 -6.551 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.455 11.118 -4.698 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.433 9.534 -7.030 1.00 0.00 C ATOM 0 H ILE A 62 81.200 13.242 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 62 80.526 13.063 -4.884 1.00 0.00 H new ATOM 0 HB ILE A 62 82.696 11.876 -6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 62 80.048 10.642 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.304 11.344 -7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.876 10.141 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.234 11.758 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.654 11.002 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.657 8.888 -7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.175 9.745 -7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.915 9.033 -6.190 1.00 0.00 H new ATOM 974 N ARG A 63 82.361 14.363 -3.835 1.00 0.00 N ATOM 975 CA ARG A 63 83.389 15.274 -3.245 1.00 0.00 C ATOM 976 C ARG A 63 84.499 14.469 -2.561 1.00 0.00 C ATOM 977 O ARG A 63 85.638 14.899 -2.518 1.00 0.00 O ATOM 978 CB ARG A 63 82.637 16.128 -2.226 1.00 0.00 C ATOM 979 CG ARG A 63 81.654 17.049 -2.952 1.00 0.00 C ATOM 980 CD ARG A 63 82.425 18.163 -3.668 1.00 0.00 C ATOM 981 NE ARG A 63 83.124 18.912 -2.577 1.00 0.00 N ATOM 982 CZ ARG A 63 82.491 19.788 -1.815 1.00 0.00 C ATOM 983 NH1 ARG A 63 81.211 20.051 -1.972 1.00 0.00 N ATOM 984 NH2 ARG A 63 83.155 20.411 -0.881 1.00 0.00 N ATOM 0 H ARG A 63 81.673 14.004 -3.173 1.00 0.00 H new ATOM 0 HA ARG A 63 83.872 15.885 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 63 82.101 15.488 -1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 63 83.342 16.720 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 63 81.069 16.477 -3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 63 80.950 17.480 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.137 17.753 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 63 81.751 18.814 -4.225 1.00 0.00 H new ATOM 0 HE ARG A 63 84.117 18.742 -2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 63 80.678 19.573 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 63 80.752 20.732 -1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 63 84.148 20.220 -0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 63 82.681 21.090 -0.285 1.00 0.00 H new ATOM 998 N SER A 64 84.181 13.309 -2.030 1.00 0.00 N ATOM 999 CA SER A 64 85.234 12.485 -1.350 1.00 0.00 C ATOM 1000 C SER A 64 84.806 11.018 -1.258 1.00 0.00 C ATOM 1001 O SER A 64 83.633 10.705 -1.247 1.00 0.00 O ATOM 1002 CB SER A 64 85.378 13.093 0.044 1.00 0.00 C ATOM 1003 OG SER A 64 85.908 14.408 -0.069 1.00 0.00 O ATOM 0 H SER A 64 83.246 12.901 -2.038 1.00 0.00 H new ATOM 0 HA SER A 64 86.175 12.497 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 64 84.409 13.121 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 64 86.035 12.475 0.657 1.00 0.00 H new ATOM 0 HG SER A 64 86.209 14.561 -0.989 1.00 0.00 H new ATOM 1009 N ILE A 65 85.761 10.120 -1.191 1.00 0.00 N ATOM 1010 CA ILE A 65 85.432 8.662 -1.107 1.00 0.00 C ATOM 1011 C ILE A 65 86.375 7.972 -0.114 1.00 0.00 C ATOM 1012 O ILE A 65 87.538 8.318 -0.006 1.00 0.00 O ATOM 1013 CB ILE A 65 85.633 8.092 -2.518 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.756 8.854 -3.524 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.244 6.607 -2.521 1.00 0.00 C ATOM 1016 CD1 ILE A 65 85.036 8.348 -4.943 1.00 0.00 C ATOM 0 H ILE A 65 86.758 10.336 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 65 84.411 8.501 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 65 86.679 8.202 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.703 8.716 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.960 9.923 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.385 6.196 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.872 6.065 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.199 6.504 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.412 8.891 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 65 86.086 8.509 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.809 7.283 -5.001 1.00 0.00 H new ATOM 1028 N ASP A 66 85.875 7.002 0.608 1.00 0.00 N ATOM 1029 CA ASP A 66 86.730 6.256 1.582 1.00 0.00 C ATOM 1030 C ASP A 66 86.420 4.757 1.526 1.00 0.00 C ATOM 1031 O ASP A 66 85.301 4.349 1.771 1.00 0.00 O ATOM 1032 CB ASP A 66 86.359 6.837 2.954 1.00 0.00 C ATOM 1033 CG ASP A 66 84.866 6.625 3.241 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.058 7.093 2.455 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.559 5.998 4.242 1.00 0.00 O ATOM 0 H ASP A 66 84.904 6.692 0.565 1.00 0.00 H new ATOM 0 HA ASP A 66 87.793 6.362 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.956 6.360 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.593 7.901 2.980 1.00 0.00 H new ATOM 1040 N LEU A 67 87.394 3.937 1.205 1.00 0.00 N ATOM 1041 CA LEU A 67 87.160 2.459 1.218 1.00 0.00 C ATOM 1042 C LEU A 67 87.180 1.938 2.657 1.00 0.00 C ATOM 1043 O LEU A 67 88.199 1.965 3.322 1.00 0.00 O ATOM 1044 CB LEU A 67 88.311 1.857 0.405 1.00 0.00 C ATOM 1045 CG LEU A 67 88.196 2.301 -1.070 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.334 3.268 -1.412 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.271 1.076 -1.996 1.00 0.00 C ATOM 0 H LEU A 67 88.335 4.226 0.936 1.00 0.00 H new ATOM 0 HA LEU A 67 86.191 2.191 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.267 2.178 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.285 0.769 0.470 1.00 0.00 H new ATOM 0 HG LEU A 67 87.239 2.802 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.248 3.578 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 67 89.273 4.144 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.292 2.771 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.189 1.399 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.223 0.566 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.454 0.393 -1.763 1.00 0.00 H new ATOM 1059 N ILE A 68 86.056 1.467 3.137 1.00 0.00 N ATOM 1060 CA ILE A 68 85.986 0.943 4.539 1.00 0.00 C ATOM 1061 C ILE A 68 86.690 -0.413 4.618 1.00 0.00 C ATOM 1062 O ILE A 68 87.354 -0.724 5.589 1.00 0.00 O ATOM 1063 CB ILE A 68 84.489 0.800 4.849 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.802 2.162 4.713 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.306 0.285 6.279 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.289 1.991 4.860 1.00 0.00 C ATOM 0 H ILE A 68 85.180 1.422 2.617 1.00 0.00 H new ATOM 0 HA ILE A 68 86.477 1.603 5.254 1.00 0.00 H new ATOM 0 HB ILE A 68 84.045 0.095 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 68 84.176 2.847 5.474 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.036 2.603 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.243 0.185 6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.791 -0.686 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.754 0.989 6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.802 2.961 4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.921 1.321 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 68 82.064 1.569 5.839 1.00 0.00 H new ATOM 1078 N GLU A 69 86.541 -1.219 3.597 1.00 0.00 N ATOM 1079 CA GLU A 69 87.181 -2.567 3.591 1.00 0.00 C ATOM 1080 C GLU A 69 87.825 -2.830 2.221 1.00 0.00 C ATOM 1081 O GLU A 69 87.165 -3.324 1.327 1.00 0.00 O ATOM 1082 CB GLU A 69 86.040 -3.554 3.848 1.00 0.00 C ATOM 1083 CG GLU A 69 85.424 -3.276 5.221 1.00 0.00 C ATOM 1084 CD GLU A 69 84.228 -4.204 5.441 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.446 -4.359 4.516 1.00 0.00 O ATOM 1086 OE2 GLU A 69 84.112 -4.744 6.528 1.00 0.00 O ATOM 0 H GLU A 69 85.999 -0.998 2.762 1.00 0.00 H new ATOM 0 HA GLU A 69 87.967 -2.658 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.281 -3.459 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.414 -4.577 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.167 -3.432 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 69 85.107 -2.235 5.285 1.00 0.00 H new