USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 632 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 Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 96:sc= 0.663 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 87:sc= -0.384 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0102 K(o=-0.01,f=-0.52) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 76:sc= 0.539 USER MOD Single : A 65 THR OG1 : rot 117:sc= 1.15 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -26.767 1.331 -19.246 1.00 0.00 N ATOM 96 CA GLY A 7 -27.097 0.047 -18.652 1.00 0.00 C ATOM 97 C GLY A 7 -25.858 -0.607 -18.038 1.00 0.00 C ATOM 98 O GLY A 7 -25.845 -0.927 -16.850 1.00 0.00 O ATOM 0 HA2 GLY A 7 -27.859 0.182 -17.885 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.522 -0.610 -19.411 1.00 0.00 H new ATOM 102 N TYR A 8 -24.847 -0.787 -18.875 1.00 0.00 N ATOM 103 CA TYR A 8 -23.606 -1.398 -18.429 1.00 0.00 C ATOM 104 C TYR A 8 -23.117 -0.759 -17.127 1.00 0.00 C ATOM 105 O TYR A 8 -22.790 -1.462 -16.172 1.00 0.00 O ATOM 106 CB TYR A 8 -22.581 -1.125 -19.533 1.00 0.00 C ATOM 107 CG TYR A 8 -22.276 -2.339 -20.412 1.00 0.00 C ATOM 108 CD1 TYR A 8 -23.222 -2.800 -21.305 1.00 0.00 C ATOM 109 CD2 TYR A 8 -21.055 -2.974 -20.312 1.00 0.00 C ATOM 110 CE1 TYR A 8 -22.935 -3.943 -22.133 1.00 0.00 C ATOM 111 CE2 TYR A 8 -20.767 -4.117 -21.140 1.00 0.00 C ATOM 112 CZ TYR A 8 -21.722 -4.545 -22.009 1.00 0.00 C ATOM 113 OH TYR A 8 -21.450 -5.624 -22.791 1.00 0.00 O ATOM 0 H TYR A 8 -24.862 -0.521 -19.859 1.00 0.00 H new ATOM 0 HA TYR A 8 -23.748 -2.463 -18.243 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -22.948 -0.316 -20.164 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -21.654 -0.778 -19.076 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -24.178 -2.303 -21.383 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -20.315 -2.614 -19.613 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -23.666 -4.313 -22.836 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -19.815 -4.622 -21.072 1.00 0.00 H new ATOM 0 HH TYR A 8 -20.547 -5.950 -22.596 1.00 0.00 H new ATOM 123 N ALA A 9 -23.083 0.565 -17.131 1.00 0.00 N ATOM 124 CA ALA A 9 -22.640 1.306 -15.963 1.00 0.00 C ATOM 125 C ALA A 9 -23.498 0.912 -14.759 1.00 0.00 C ATOM 126 O ALA A 9 -22.997 0.820 -13.639 1.00 0.00 O ATOM 127 CB ALA A 9 -22.702 2.807 -16.256 1.00 0.00 C ATOM 0 H ALA A 9 -23.355 1.144 -17.925 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.605 1.063 -15.725 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -22.370 3.363 -15.379 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -22.054 3.040 -17.101 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -23.727 3.089 -16.497 1.00 0.00 H new ATOM 133 N ALA A 10 -24.775 0.689 -15.030 1.00 0.00 N ATOM 134 CA ALA A 10 -25.707 0.307 -13.983 1.00 0.00 C ATOM 135 C ALA A 10 -25.383 -1.112 -13.510 1.00 0.00 C ATOM 136 O ALA A 10 -25.619 -1.453 -12.353 1.00 0.00 O ATOM 137 CB ALA A 10 -27.140 0.434 -14.503 1.00 0.00 C ATOM 0 H ALA A 10 -25.187 0.766 -15.960 1.00 0.00 H new ATOM 0 HA ALA A 10 -25.611 0.971 -13.124 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -27.839 0.147 -13.717 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.330 1.466 -14.799 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -27.274 -0.221 -15.364 1.00 0.00 H new ATOM 143 N LEU A 11 -24.846 -1.899 -14.431 1.00 0.00 N ATOM 144 CA LEU A 11 -24.486 -3.273 -14.122 1.00 0.00 C ATOM 145 C LEU A 11 -23.244 -3.282 -13.229 1.00 0.00 C ATOM 146 O LEU A 11 -23.296 -3.747 -12.092 1.00 0.00 O ATOM 147 CB LEU A 11 -24.325 -4.086 -15.408 1.00 0.00 C ATOM 148 CG LEU A 11 -24.030 -5.577 -15.227 1.00 0.00 C ATOM 149 CD1 LEU A 11 -25.213 -6.429 -15.691 1.00 0.00 C ATOM 150 CD2 LEU A 11 -22.730 -5.968 -15.932 1.00 0.00 C ATOM 0 H LEU A 11 -24.652 -1.612 -15.390 1.00 0.00 H new ATOM 0 HA LEU A 11 -25.285 -3.760 -13.562 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -25.238 -3.985 -15.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.519 -3.645 -15.995 1.00 0.00 H new ATOM 0 HG LEU A 11 -23.890 -5.772 -14.164 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.978 -7.484 -15.552 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -26.097 -6.174 -15.106 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.408 -6.237 -16.746 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.544 -7.032 -15.788 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.816 -5.756 -16.998 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.903 -5.395 -15.514 1.00 0.00 H new ATOM 162 N VAL A 12 -22.155 -2.763 -13.778 1.00 0.00 N ATOM 163 CA VAL A 12 -20.902 -2.706 -13.045 1.00 0.00 C ATOM 164 C VAL A 12 -21.155 -2.117 -11.656 1.00 0.00 C ATOM 165 O VAL A 12 -20.633 -2.619 -10.661 1.00 0.00 O ATOM 166 CB VAL A 12 -19.863 -1.919 -13.847 1.00 0.00 C ATOM 167 CG1 VAL A 12 -20.323 -0.479 -14.078 1.00 0.00 C ATOM 168 CG2 VAL A 12 -18.497 -1.955 -13.158 1.00 0.00 C ATOM 0 H VAL A 12 -22.115 -2.378 -14.722 1.00 0.00 H new ATOM 0 HA VAL A 12 -20.496 -3.708 -12.905 1.00 0.00 H new ATOM 0 HB VAL A 12 -19.760 -2.397 -14.821 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.566 0.057 -14.650 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -21.262 -0.481 -14.631 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -20.469 0.015 -13.117 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.777 -1.388 -13.748 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -18.579 -1.514 -12.165 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -18.161 -2.988 -13.070 1.00 0.00 H new ATOM 178 N THR A 13 -21.956 -1.062 -11.632 1.00 0.00 N ATOM 179 CA THR A 13 -22.285 -0.401 -10.381 1.00 0.00 C ATOM 180 C THR A 13 -22.996 -1.370 -9.435 1.00 0.00 C ATOM 181 O THR A 13 -22.466 -1.716 -8.380 1.00 0.00 O ATOM 182 CB THR A 13 -23.110 0.845 -10.707 1.00 0.00 C ATOM 183 OG1 THR A 13 -22.150 1.782 -11.187 1.00 0.00 O ATOM 184 CG2 THR A 13 -23.687 1.511 -9.456 1.00 0.00 C ATOM 0 H THR A 13 -22.387 -0.649 -12.459 1.00 0.00 H new ATOM 0 HA THR A 13 -21.385 -0.084 -9.854 1.00 0.00 H new ATOM 0 HB THR A 13 -23.923 0.575 -11.381 1.00 0.00 H new ATOM 0 HG1 THR A 13 -22.128 1.755 -12.166 1.00 0.00 H new ATOM 0 HG21 THR A 13 -24.263 2.390 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 13 -24.336 0.807 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 13 -22.873 1.811 -8.796 1.00 0.00 H new ATOM 192 N PHE A 14 -24.186 -1.782 -9.847 1.00 0.00 N ATOM 193 CA PHE A 14 -24.976 -2.705 -9.050 1.00 0.00 C ATOM 194 C PHE A 14 -24.096 -3.805 -8.452 1.00 0.00 C ATOM 195 O PHE A 14 -24.301 -4.218 -7.312 1.00 0.00 O ATOM 196 CB PHE A 14 -26.001 -3.343 -9.990 1.00 0.00 C ATOM 197 CG PHE A 14 -26.978 -4.292 -9.293 1.00 0.00 C ATOM 198 CD1 PHE A 14 -27.742 -3.844 -8.261 1.00 0.00 C ATOM 199 CD2 PHE A 14 -27.083 -5.584 -9.705 1.00 0.00 C ATOM 200 CE1 PHE A 14 -28.649 -4.724 -7.614 1.00 0.00 C ATOM 201 CE2 PHE A 14 -27.990 -6.465 -9.058 1.00 0.00 C ATOM 202 CZ PHE A 14 -28.754 -6.016 -8.026 1.00 0.00 C ATOM 0 H PHE A 14 -24.622 -1.493 -10.723 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.454 -2.172 -8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -26.567 -2.553 -10.484 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.472 -3.891 -10.770 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.659 -2.818 -7.933 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -26.476 -5.940 -10.525 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -29.256 -4.368 -6.795 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -28.073 -7.491 -9.385 1.00 0.00 H new ATOM 0 HZ PHE A 14 -29.444 -6.685 -7.534 1.00 0.00 H new ATOM 212 N GLY A 15 -23.135 -4.248 -9.249 1.00 0.00 N ATOM 213 CA GLY A 15 -22.222 -5.291 -8.813 1.00 0.00 C ATOM 214 C GLY A 15 -21.315 -4.791 -7.687 1.00 0.00 C ATOM 215 O GLY A 15 -21.389 -5.281 -6.561 1.00 0.00 O ATOM 0 H GLY A 15 -22.969 -3.904 -10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.790 -6.156 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.614 -5.622 -9.655 1.00 0.00 H new ATOM 219 N SER A 16 -20.480 -3.821 -8.029 1.00 0.00 N ATOM 220 CA SER A 16 -19.560 -3.249 -7.061 1.00 0.00 C ATOM 221 C SER A 16 -20.255 -3.092 -5.708 1.00 0.00 C ATOM 222 O SER A 16 -19.832 -3.684 -4.716 1.00 0.00 O ATOM 223 CB SER A 16 -19.023 -1.900 -7.542 1.00 0.00 C ATOM 224 OG SER A 16 -17.599 -1.862 -7.545 1.00 0.00 O ATOM 0 H SER A 16 -20.421 -3.417 -8.964 1.00 0.00 H new ATOM 0 HA SER A 16 -18.714 -3.928 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 16 -19.393 -1.700 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.405 -1.108 -6.899 1.00 0.00 H new ATOM 0 HG SER A 16 -17.296 -0.985 -7.860 1.00 0.00 H new ATOM 230 N ILE A 17 -21.311 -2.291 -5.710 1.00 0.00 N ATOM 231 CA ILE A 17 -22.069 -2.048 -4.494 1.00 0.00 C ATOM 232 C ILE A 17 -22.407 -3.386 -3.834 1.00 0.00 C ATOM 233 O ILE A 17 -22.255 -3.540 -2.623 1.00 0.00 O ATOM 234 CB ILE A 17 -23.294 -1.182 -4.791 1.00 0.00 C ATOM 235 CG1 ILE A 17 -24.108 -1.761 -5.950 1.00 0.00 C ATOM 236 CG2 ILE A 17 -22.890 0.272 -5.046 1.00 0.00 C ATOM 237 CD1 ILE A 17 -25.299 -2.570 -5.433 1.00 0.00 C ATOM 0 H ILE A 17 -21.659 -1.802 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.472 -1.481 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.937 -1.188 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -24.463 -0.953 -6.589 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -23.471 -2.397 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.780 0.866 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.387 0.670 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -22.215 0.318 -5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -25.861 -2.970 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -24.939 -3.392 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -25.947 -1.925 -4.839 1.00 0.00 H new ATOM 249 N PHE A 18 -22.858 -4.319 -4.658 1.00 0.00 N ATOM 250 CA PHE A 18 -23.219 -5.639 -4.169 1.00 0.00 C ATOM 251 C PHE A 18 -22.082 -6.248 -3.346 1.00 0.00 C ATOM 252 O PHE A 18 -22.325 -6.882 -2.320 1.00 0.00 O ATOM 253 CB PHE A 18 -23.471 -6.518 -5.396 1.00 0.00 C ATOM 254 CG PHE A 18 -24.793 -7.286 -5.351 1.00 0.00 C ATOM 255 CD1 PHE A 18 -25.970 -6.624 -5.512 1.00 0.00 C ATOM 256 CD2 PHE A 18 -24.791 -8.631 -5.149 1.00 0.00 C ATOM 257 CE1 PHE A 18 -27.198 -7.337 -5.469 1.00 0.00 C ATOM 258 CE2 PHE A 18 -26.019 -9.344 -5.107 1.00 0.00 C ATOM 259 CZ PHE A 18 -27.196 -8.682 -5.268 1.00 0.00 C ATOM 0 H PHE A 18 -22.982 -4.188 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 18 -24.099 -5.571 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -23.457 -5.892 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.652 -7.231 -5.494 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -25.971 -5.556 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -23.856 -9.157 -5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -28.133 -6.811 -5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -26.018 -10.412 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 18 -28.129 -9.225 -5.236 1.00 0.00 H new ATOM 269 N GLY A 19 -20.866 -6.034 -3.826 1.00 0.00 N ATOM 270 CA GLY A 19 -19.692 -6.554 -3.146 1.00 0.00 C ATOM 271 C GLY A 19 -19.299 -5.661 -1.968 1.00 0.00 C ATOM 272 O GLY A 19 -18.618 -6.107 -1.046 1.00 0.00 O ATOM 0 H GLY A 19 -20.668 -5.508 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -19.892 -7.565 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.861 -6.622 -3.848 1.00 0.00 H new ATOM 276 N TYR A 20 -19.746 -4.415 -2.037 1.00 0.00 N ATOM 277 CA TYR A 20 -19.449 -3.455 -0.987 1.00 0.00 C ATOM 278 C TYR A 20 -20.314 -3.710 0.249 1.00 0.00 C ATOM 279 O TYR A 20 -21.158 -2.887 0.601 1.00 0.00 O ATOM 280 CB TYR A 20 -19.796 -2.081 -1.563 1.00 0.00 C ATOM 281 CG TYR A 20 -18.976 -0.933 -0.970 1.00 0.00 C ATOM 282 CD1 TYR A 20 -19.399 -0.307 0.185 1.00 0.00 C ATOM 283 CD2 TYR A 20 -17.813 -0.523 -1.591 1.00 0.00 C ATOM 284 CE1 TYR A 20 -18.628 0.773 0.743 1.00 0.00 C ATOM 285 CE2 TYR A 20 -17.042 0.557 -1.033 1.00 0.00 C ATOM 286 CZ TYR A 20 -17.487 1.152 0.107 1.00 0.00 C ATOM 287 OH TYR A 20 -16.758 2.172 0.634 1.00 0.00 O ATOM 0 H TYR A 20 -20.311 -4.049 -2.803 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.405 -3.529 -0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -19.645 -2.102 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -20.854 -1.884 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -20.309 -0.628 0.670 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -17.482 -1.012 -2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.948 1.271 1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -16.131 0.888 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.969 2.333 0.075 1.00 0.00 H new ATOM 297 N LYS A 21 -20.075 -4.853 0.874 1.00 0.00 N ATOM 298 CA LYS A 21 -20.821 -5.226 2.063 1.00 0.00 C ATOM 299 C LYS A 21 -19.861 -5.816 3.099 1.00 0.00 C ATOM 300 O LYS A 21 -19.848 -5.389 4.252 1.00 0.00 O ATOM 301 CB LYS A 21 -21.980 -6.157 1.699 1.00 0.00 C ATOM 302 CG LYS A 21 -21.489 -7.342 0.864 1.00 0.00 C ATOM 303 CD LYS A 21 -21.273 -8.577 1.740 1.00 0.00 C ATOM 304 CE LYS A 21 -22.456 -9.540 1.632 1.00 0.00 C ATOM 305 NZ LYS A 21 -23.218 -9.570 2.901 1.00 0.00 N ATOM 0 H LYS A 21 -19.375 -5.533 0.579 1.00 0.00 H new ATOM 0 HA LYS A 21 -21.279 -4.347 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -22.458 -6.521 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -22.735 -5.603 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.216 -7.568 0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.557 -7.078 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.357 -9.085 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -21.141 -8.272 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.110 -9.232 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.097 -10.541 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.018 -10.229 2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.596 -9.885 3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.577 -8.617 3.113 1.00 0.00 H new ATOM 319 N ARG A 22 -19.081 -6.788 2.649 1.00 0.00 N ATOM 320 CA ARG A 22 -18.120 -7.440 3.522 1.00 0.00 C ATOM 321 C ARG A 22 -16.701 -6.972 3.194 1.00 0.00 C ATOM 322 O ARG A 22 -16.032 -6.371 4.033 1.00 0.00 O ATOM 323 CB ARG A 22 -18.193 -8.962 3.382 1.00 0.00 C ATOM 324 CG ARG A 22 -17.853 -9.652 4.705 1.00 0.00 C ATOM 325 CD ARG A 22 -17.237 -11.031 4.461 1.00 0.00 C ATOM 326 NE ARG A 22 -18.307 -12.034 4.256 1.00 0.00 N ATOM 327 CZ ARG A 22 -18.142 -13.353 4.425 1.00 0.00 C ATOM 328 NH1 ARG A 22 -16.951 -13.837 4.803 1.00 0.00 N ATOM 329 NH2 ARG A 22 -19.169 -14.188 4.216 1.00 0.00 N ATOM 0 H ARG A 22 -19.095 -7.140 1.692 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.367 -7.168 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.193 -9.254 3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.502 -9.293 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.158 -9.034 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.755 -9.754 5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.586 -10.998 3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.617 -11.317 5.311 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.227 -11.700 3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.169 -13.201 4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.826 -14.841 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -20.076 -13.819 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.044 -15.192 4.344 1.00 0.00 H new ATOM 343 N ARG A 23 -16.284 -7.265 1.971 1.00 0.00 N ATOM 344 CA ARG A 23 -14.957 -6.881 1.521 1.00 0.00 C ATOM 345 C ARG A 23 -13.896 -7.764 2.183 1.00 0.00 C ATOM 346 O ARG A 23 -13.629 -7.630 3.377 1.00 0.00 O ATOM 347 CB ARG A 23 -14.667 -5.415 1.848 1.00 0.00 C ATOM 348 CG ARG A 23 -14.181 -4.663 0.608 1.00 0.00 C ATOM 349 CD ARG A 23 -12.826 -4.000 0.865 1.00 0.00 C ATOM 350 NE ARG A 23 -12.987 -2.531 0.942 1.00 0.00 N ATOM 351 CZ ARG A 23 -13.331 -1.870 2.056 1.00 0.00 C ATOM 352 NH1 ARG A 23 -13.551 -2.544 3.193 1.00 0.00 N ATOM 353 NH2 ARG A 23 -13.454 -0.536 2.032 1.00 0.00 N ATOM 0 H ARG A 23 -16.842 -7.764 1.278 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.922 -7.014 0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.568 -4.940 2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.913 -5.356 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.099 -5.353 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.913 -3.906 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.398 -4.376 1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.129 -4.256 0.067 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.826 -1.987 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.457 -3.559 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.813 -2.042 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.286 -0.024 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.716 -0.033 2.880 1.00 0.00 H new ATOM 367 N GLY A 24 -13.321 -8.646 1.380 1.00 0.00 N ATOM 368 CA GLY A 24 -12.296 -9.550 1.873 1.00 0.00 C ATOM 369 C GLY A 24 -11.825 -10.500 0.769 1.00 0.00 C ATOM 370 O GLY A 24 -12.516 -11.462 0.437 1.00 0.00 O ATOM 0 H GLY A 24 -13.545 -8.754 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.449 -8.975 2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.687 -10.126 2.711 1.00 0.00 H new ATOM 374 N GLY A 25 -10.653 -10.196 0.231 1.00 0.00 N ATOM 375 CA GLY A 25 -10.082 -11.010 -0.828 1.00 0.00 C ATOM 376 C GLY A 25 -8.681 -11.496 -0.452 1.00 0.00 C ATOM 377 O GLY A 25 -8.446 -11.907 0.684 1.00 0.00 O ATOM 0 H GLY A 25 -10.083 -9.397 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.728 -11.866 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.035 -10.432 -1.751 1.00 0.00 H new ATOM 381 N VAL A 26 -7.786 -11.432 -1.426 1.00 0.00 N ATOM 382 CA VAL A 26 -6.414 -11.860 -1.212 1.00 0.00 C ATOM 383 C VAL A 26 -5.833 -11.112 -0.010 1.00 0.00 C ATOM 384 O VAL A 26 -6.098 -9.925 0.175 1.00 0.00 O ATOM 385 CB VAL A 26 -5.597 -11.661 -2.491 1.00 0.00 C ATOM 386 CG1 VAL A 26 -5.600 -10.193 -2.920 1.00 0.00 C ATOM 387 CG2 VAL A 26 -4.168 -12.178 -2.315 1.00 0.00 C ATOM 0 H VAL A 26 -7.984 -11.090 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.378 -12.925 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.068 -12.243 -3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.013 -10.079 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.624 -9.870 -3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.165 -9.582 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.609 -12.025 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.683 -11.637 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.192 -13.242 -2.078 1.00 0.00 H new ATOM 397 N PRO A 27 -5.031 -11.857 0.798 1.00 0.00 N ATOM 398 CA PRO A 27 -4.411 -11.278 1.977 1.00 0.00 C ATOM 399 C PRO A 27 -3.240 -10.372 1.591 1.00 0.00 C ATOM 400 O PRO A 27 -2.093 -10.817 1.553 1.00 0.00 O ATOM 401 CB PRO A 27 -3.989 -12.467 2.824 1.00 0.00 C ATOM 402 CG PRO A 27 -3.966 -13.661 1.884 1.00 0.00 C ATOM 403 CD PRO A 27 -4.696 -13.266 0.610 1.00 0.00 C ATOM 0 HA PRO A 27 -5.088 -10.631 2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.008 -12.301 3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.688 -12.629 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.939 -13.952 1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.447 -14.522 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.067 -13.410 -0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.591 -13.870 0.463 1.00 0.00 H new ATOM 411 N SER A 28 -3.568 -9.119 1.316 1.00 0.00 N ATOM 412 CA SER A 28 -2.558 -8.147 0.934 1.00 0.00 C ATOM 413 C SER A 28 -3.213 -6.794 0.652 1.00 0.00 C ATOM 414 O SER A 28 -2.938 -5.811 1.338 1.00 0.00 O ATOM 415 CB SER A 28 -1.771 -8.621 -0.289 1.00 0.00 C ATOM 416 OG SER A 28 -0.367 -8.450 -0.120 1.00 0.00 O ATOM 0 H SER A 28 -4.520 -8.754 1.350 1.00 0.00 H new ATOM 0 HA SER A 28 -1.858 -8.039 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.988 -9.673 -0.474 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.100 -8.068 -1.169 1.00 0.00 H new ATOM 0 HG SER A 28 0.100 -8.766 -0.922 1.00 0.00 H new ATOM 422 N LEU A 29 -4.069 -6.786 -0.360 1.00 0.00 N ATOM 423 CA LEU A 29 -4.766 -5.570 -0.742 1.00 0.00 C ATOM 424 C LEU A 29 -5.230 -4.836 0.518 1.00 0.00 C ATOM 425 O LEU A 29 -4.969 -3.645 0.678 1.00 0.00 O ATOM 426 CB LEU A 29 -5.898 -5.886 -1.721 1.00 0.00 C ATOM 427 CG LEU A 29 -5.768 -5.274 -3.117 1.00 0.00 C ATOM 428 CD1 LEU A 29 -5.904 -6.345 -4.201 1.00 0.00 C ATOM 429 CD2 LEU A 29 -6.769 -4.133 -3.311 1.00 0.00 C ATOM 0 H LEU A 29 -4.295 -7.603 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.094 -4.897 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.969 -6.969 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.836 -5.546 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.770 -4.847 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.808 -5.883 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.121 -7.093 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.880 -6.823 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.655 -3.716 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.783 -4.514 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.583 -3.356 -2.570 1.00 0.00 H new ATOM 441 N ILE A 30 -5.909 -5.578 1.380 1.00 0.00 N ATOM 442 CA ILE A 30 -6.412 -5.013 2.621 1.00 0.00 C ATOM 443 C ILE A 30 -5.285 -4.254 3.323 1.00 0.00 C ATOM 444 O ILE A 30 -5.460 -3.103 3.720 1.00 0.00 O ATOM 445 CB ILE A 30 -7.052 -6.101 3.485 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.287 -6.690 2.799 1.00 0.00 C ATOM 447 CG2 ILE A 30 -7.371 -5.573 4.885 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.337 -8.210 2.971 1.00 0.00 C ATOM 0 H ILE A 30 -6.123 -6.566 1.244 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.205 -4.293 2.418 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.332 -6.911 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.188 -6.243 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.272 -6.441 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.825 -6.367 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.451 -5.241 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.064 -4.735 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.224 -8.603 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.446 -8.656 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.377 -8.455 4.032 1.00 0.00 H new ATOM 460 N ALA A 31 -4.152 -4.929 3.456 1.00 0.00 N ATOM 461 CA ALA A 31 -2.997 -4.332 4.104 1.00 0.00 C ATOM 462 C ALA A 31 -2.655 -3.011 3.412 1.00 0.00 C ATOM 463 O ALA A 31 -2.260 -2.047 4.066 1.00 0.00 O ATOM 464 CB ALA A 31 -1.830 -5.321 4.080 1.00 0.00 C ATOM 0 H ALA A 31 -4.010 -5.884 3.126 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.216 -4.110 5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.963 -4.873 4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.113 -6.231 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.581 -5.565 3.047 1.00 0.00 H new ATOM 470 N GLY A 32 -2.819 -3.008 2.097 1.00 0.00 N ATOM 471 CA GLY A 32 -2.533 -1.821 1.309 1.00 0.00 C ATOM 472 C GLY A 32 -3.561 -0.721 1.583 1.00 0.00 C ATOM 473 O GLY A 32 -3.246 0.464 1.487 1.00 0.00 O ATOM 0 H GLY A 32 -3.146 -3.809 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.533 -1.456 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.539 -2.074 0.249 1.00 0.00 H new ATOM 477 N LEU A 33 -4.768 -1.153 1.918 1.00 0.00 N ATOM 478 CA LEU A 33 -5.843 -0.219 2.207 1.00 0.00 C ATOM 479 C LEU A 33 -5.557 0.488 3.533 1.00 0.00 C ATOM 480 O LEU A 33 -5.380 1.705 3.566 1.00 0.00 O ATOM 481 CB LEU A 33 -7.196 -0.932 2.169 1.00 0.00 C ATOM 482 CG LEU A 33 -8.148 -0.505 1.050 1.00 0.00 C ATOM 483 CD1 LEU A 33 -7.831 -1.244 -0.251 1.00 0.00 C ATOM 484 CD2 LEU A 33 -9.608 -0.690 1.472 1.00 0.00 C ATOM 0 H LEU A 33 -5.025 -2.137 1.996 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.894 0.553 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.017 -2.003 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.695 -0.772 3.125 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.999 0.558 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.522 -0.922 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.809 -1.020 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.935 -2.318 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.264 -0.379 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.790 -1.739 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.811 -0.083 2.354 1.00 0.00 H new ATOM 496 N PHE A 34 -5.520 -0.305 4.594 1.00 0.00 N ATOM 497 CA PHE A 34 -5.258 0.230 5.919 1.00 0.00 C ATOM 498 C PHE A 34 -3.993 1.091 5.923 1.00 0.00 C ATOM 499 O PHE A 34 -3.988 2.190 6.474 1.00 0.00 O ATOM 500 CB PHE A 34 -5.051 -0.966 6.851 1.00 0.00 C ATOM 501 CG PHE A 34 -5.941 -0.947 8.095 1.00 0.00 C ATOM 502 CD1 PHE A 34 -5.534 -0.287 9.213 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.139 -1.590 8.084 1.00 0.00 C ATOM 504 CE1 PHE A 34 -6.360 -0.270 10.367 1.00 0.00 C ATOM 505 CE2 PHE A 34 -7.965 -1.573 9.238 1.00 0.00 C ATOM 506 CZ PHE A 34 -7.558 -0.913 10.356 1.00 0.00 C ATOM 0 H PHE A 34 -5.667 -1.314 4.563 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.091 0.856 6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.241 -1.884 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.007 -0.993 7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.583 0.224 9.222 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.462 -2.114 7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.037 0.254 11.254 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.916 -2.084 9.229 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.186 -0.900 11.234 1.00 0.00 H new ATOM 516 N VAL A 35 -2.951 0.557 5.303 1.00 0.00 N ATOM 517 CA VAL A 35 -1.683 1.263 5.228 1.00 0.00 C ATOM 518 C VAL A 35 -1.860 2.534 4.395 1.00 0.00 C ATOM 519 O VAL A 35 -1.896 3.637 4.938 1.00 0.00 O ATOM 520 CB VAL A 35 -0.599 0.333 4.678 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.599 1.134 4.162 1.00 0.00 C ATOM 522 CG2 VAL A 35 -0.165 -0.686 5.732 1.00 0.00 C ATOM 0 H VAL A 35 -2.959 -0.356 4.848 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.357 1.569 6.222 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.022 -0.216 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.355 0.450 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.274 1.802 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.022 1.721 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.606 -1.334 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.232 -0.163 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.023 -1.288 6.031 1.00 0.00 H new ATOM 532 N GLY A 36 -1.965 2.337 3.088 1.00 0.00 N ATOM 533 CA GLY A 36 -2.138 3.454 2.175 1.00 0.00 C ATOM 534 C GLY A 36 -3.055 4.520 2.779 1.00 0.00 C ATOM 535 O GLY A 36 -2.848 5.714 2.567 1.00 0.00 O ATOM 0 H GLY A 36 -1.934 1.421 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.167 3.893 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.559 3.098 1.235 1.00 0.00 H new ATOM 539 N CYS A 37 -4.048 4.050 3.518 1.00 0.00 N ATOM 540 CA CYS A 37 -4.997 4.947 4.154 1.00 0.00 C ATOM 541 C CYS A 37 -4.239 5.815 5.160 1.00 0.00 C ATOM 542 O CYS A 37 -4.094 7.020 4.962 1.00 0.00 O ATOM 543 CB CYS A 37 -6.146 4.181 4.813 1.00 0.00 C ATOM 544 SG CYS A 37 -7.427 3.781 3.569 1.00 0.00 S ATOM 0 H CYS A 37 -4.216 3.059 3.691 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.458 5.585 3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.770 3.264 5.267 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.580 4.779 5.615 1.00 0.00 H new ATOM 0 HG CYS A 37 -7.133 2.655 2.990 1.00 0.00 H new ATOM 550 N LEU A 38 -3.773 5.168 6.219 1.00 0.00 N ATOM 551 CA LEU A 38 -3.033 5.865 7.256 1.00 0.00 C ATOM 552 C LEU A 38 -2.090 6.881 6.609 1.00 0.00 C ATOM 553 O LEU A 38 -1.884 7.970 7.143 1.00 0.00 O ATOM 554 CB LEU A 38 -2.324 4.865 8.172 1.00 0.00 C ATOM 555 CG LEU A 38 -2.785 4.848 9.631 1.00 0.00 C ATOM 556 CD1 LEU A 38 -2.752 3.428 10.200 1.00 0.00 C ATOM 557 CD2 LEU A 38 -1.964 5.824 10.477 1.00 0.00 C ATOM 0 H LEU A 38 -3.894 4.168 6.380 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.713 6.425 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.457 3.866 7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.255 5.079 8.152 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.821 5.185 9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.084 3.444 11.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.414 2.787 9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.735 3.040 10.151 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.312 5.792 11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.912 5.542 10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.083 6.834 10.085 1.00 0.00 H new ATOM 569 N ALA A 39 -1.544 6.490 5.467 1.00 0.00 N ATOM 570 CA ALA A 39 -0.628 7.354 4.741 1.00 0.00 C ATOM 571 C ALA A 39 -1.349 8.649 4.361 1.00 0.00 C ATOM 572 O ALA A 39 -1.021 9.719 4.871 1.00 0.00 O ATOM 573 CB ALA A 39 -0.083 6.609 3.520 1.00 0.00 C ATOM 0 H ALA A 39 -1.718 5.587 5.026 1.00 0.00 H new ATOM 0 HA ALA A 39 0.224 7.622 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.604 7.257 2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.445 5.713 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.909 6.326 2.868 1.00 0.00 H new ATOM 579 N GLY A 40 -2.317 8.509 3.467 1.00 0.00 N ATOM 580 CA GLY A 40 -3.087 9.654 3.012 1.00 0.00 C ATOM 581 C GLY A 40 -3.817 10.322 4.179 1.00 0.00 C ATOM 582 O GLY A 40 -3.489 11.445 4.559 1.00 0.00 O ATOM 0 H GLY A 40 -2.586 7.620 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.425 10.375 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.810 9.336 2.261 1.00 0.00 H new ATOM 586 N TYR A 41 -4.793 9.604 4.714 1.00 0.00 N ATOM 587 CA TYR A 41 -5.572 10.113 5.830 1.00 0.00 C ATOM 588 C TYR A 41 -4.674 10.812 6.852 1.00 0.00 C ATOM 589 O TYR A 41 -4.887 11.980 7.175 1.00 0.00 O ATOM 590 CB TYR A 41 -6.216 8.891 6.487 1.00 0.00 C ATOM 591 CG TYR A 41 -7.619 8.572 5.967 1.00 0.00 C ATOM 592 CD1 TYR A 41 -7.776 7.873 4.787 1.00 0.00 C ATOM 593 CD2 TYR A 41 -8.729 8.983 6.677 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.097 7.573 4.297 1.00 0.00 C ATOM 595 CE2 TYR A 41 -10.049 8.683 6.188 1.00 0.00 C ATOM 596 CZ TYR A 41 -10.168 7.993 5.022 1.00 0.00 C ATOM 597 OH TYR A 41 -11.415 7.710 4.560 1.00 0.00 O ATOM 0 H TYR A 41 -5.062 8.673 4.395 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.308 10.839 5.484 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.574 8.025 6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.267 9.055 7.563 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.908 7.551 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.607 9.530 7.600 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.234 7.027 3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.925 8.999 6.735 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.083 8.070 5.180 1.00 0.00 H new ATOM 607 N GLY A 42 -3.688 10.069 7.332 1.00 0.00 N ATOM 608 CA GLY A 42 -2.756 10.603 8.311 1.00 0.00 C ATOM 609 C GLY A 42 -2.207 11.959 7.863 1.00 0.00 C ATOM 610 O GLY A 42 -2.291 12.941 8.598 1.00 0.00 O ATOM 0 H GLY A 42 -3.514 9.101 7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.256 10.709 9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.933 9.903 8.454 1.00 0.00 H new ATOM 614 N ALA A 43 -1.657 11.969 6.657 1.00 0.00 N ATOM 615 CA ALA A 43 -1.094 13.188 6.102 1.00 0.00 C ATOM 616 C ALA A 43 -2.146 14.298 6.148 1.00 0.00 C ATOM 617 O ALA A 43 -1.809 15.471 6.301 1.00 0.00 O ATOM 618 CB ALA A 43 -0.593 12.918 4.681 1.00 0.00 C ATOM 0 H ALA A 43 -1.589 11.153 6.049 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.239 13.519 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.171 13.832 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.173 12.143 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.424 12.586 4.059 1.00 0.00 H new ATOM 624 N TYR A 44 -3.398 13.888 6.014 1.00 0.00 N ATOM 625 CA TYR A 44 -4.502 14.833 6.039 1.00 0.00 C ATOM 626 C TYR A 44 -4.813 15.275 7.470 1.00 0.00 C ATOM 627 O TYR A 44 -5.263 16.398 7.693 1.00 0.00 O ATOM 628 CB TYR A 44 -5.711 14.084 5.475 1.00 0.00 C ATOM 629 CG TYR A 44 -6.761 14.993 4.833 1.00 0.00 C ATOM 630 CD1 TYR A 44 -6.439 15.741 3.719 1.00 0.00 C ATOM 631 CD2 TYR A 44 -8.031 15.065 5.369 1.00 0.00 C ATOM 632 CE1 TYR A 44 -7.427 16.596 3.114 1.00 0.00 C ATOM 633 CE2 TYR A 44 -9.020 15.921 4.765 1.00 0.00 C ATOM 634 CZ TYR A 44 -8.669 16.644 3.667 1.00 0.00 C ATOM 635 OH TYR A 44 -9.603 17.451 3.097 1.00 0.00 O ATOM 0 H TYR A 44 -3.673 12.914 5.888 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.257 15.725 5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.366 13.364 4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.180 13.515 6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.445 15.685 3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.283 14.480 6.241 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.188 17.186 2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.017 15.987 5.174 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.443 17.383 3.597 1.00 0.00 H new ATOM 645 N ARG A 45 -4.561 14.369 8.404 1.00 0.00 N ATOM 646 CA ARG A 45 -4.808 14.651 9.807 1.00 0.00 C ATOM 647 C ARG A 45 -3.902 15.786 10.288 1.00 0.00 C ATOM 648 O ARG A 45 -4.293 16.577 11.145 1.00 0.00 O ATOM 649 CB ARG A 45 -4.563 13.412 10.670 1.00 0.00 C ATOM 650 CG ARG A 45 -5.770 12.472 10.635 1.00 0.00 C ATOM 651 CD ARG A 45 -5.911 11.710 11.954 1.00 0.00 C ATOM 652 NE ARG A 45 -5.490 10.303 11.773 1.00 0.00 N ATOM 653 CZ ARG A 45 -6.161 9.407 11.037 1.00 0.00 C ATOM 654 NH1 ARG A 45 -7.288 9.766 10.408 1.00 0.00 N ATOM 655 NH2 ARG A 45 -5.705 8.152 10.930 1.00 0.00 N ATOM 0 H ARG A 45 -4.188 13.439 8.216 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.852 14.948 9.906 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.677 12.886 10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.363 13.714 11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.677 13.046 10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.661 11.765 9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.303 12.184 12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.945 11.748 12.297 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.635 9.996 12.238 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.635 10.722 10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.799 9.084 9.848 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.847 7.879 11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.216 7.470 10.370 1.00 0.00 H new ATOM 669 N VAL A 46 -2.707 15.829 9.716 1.00 0.00 N ATOM 670 CA VAL A 46 -1.742 16.854 10.076 1.00 0.00 C ATOM 671 C VAL A 46 -1.632 16.932 11.600 1.00 0.00 C ATOM 672 O VAL A 46 -2.209 17.822 12.223 1.00 0.00 O ATOM 673 CB VAL A 46 -2.132 18.188 9.436 1.00 0.00 C ATOM 674 CG1 VAL A 46 -1.090 19.267 9.739 1.00 0.00 C ATOM 675 CG2 VAL A 46 -2.337 18.033 7.928 1.00 0.00 C ATOM 0 H VAL A 46 -2.386 15.171 9.006 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.754 16.600 9.691 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.079 18.505 9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.391 20.205 9.273 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.013 19.406 10.817 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.122 18.959 9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.613 18.995 7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.412 17.682 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.131 17.310 7.741 1.00 0.00 H new ATOM 685 N SER A 47 -0.887 15.989 12.157 1.00 0.00 N ATOM 686 CA SER A 47 -0.694 15.940 13.596 1.00 0.00 C ATOM 687 C SER A 47 0.755 15.567 13.917 1.00 0.00 C ATOM 688 O SER A 47 1.472 16.337 14.554 1.00 0.00 O ATOM 689 CB SER A 47 -1.655 14.944 14.247 1.00 0.00 C ATOM 690 OG SER A 47 -2.893 15.553 14.605 1.00 0.00 O ATOM 0 H SER A 47 -0.410 15.252 11.637 1.00 0.00 H new ATOM 0 HA SER A 47 -0.907 16.928 14.004 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.842 14.119 13.560 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.189 14.519 15.136 1.00 0.00 H new ATOM 0 HG SER A 47 -3.480 14.884 15.016 1.00 0.00 H new ATOM 696 N ASN A 48 1.143 14.385 13.462 1.00 0.00 N ATOM 697 CA ASN A 48 2.493 13.900 13.692 1.00 0.00 C ATOM 698 C ASN A 48 3.395 14.347 12.540 1.00 0.00 C ATOM 699 O ASN A 48 4.395 15.029 12.758 1.00 0.00 O ATOM 700 CB ASN A 48 2.527 12.372 13.753 1.00 0.00 C ATOM 701 CG ASN A 48 3.837 11.876 14.369 1.00 0.00 C ATOM 702 OD1 ASN A 48 4.338 12.414 15.343 1.00 0.00 O ATOM 703 ND2 ASN A 48 4.362 10.824 13.748 1.00 0.00 N ATOM 0 H ASN A 48 0.545 13.748 12.935 1.00 0.00 H new ATOM 0 HA ASN A 48 2.839 14.307 14.642 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.684 12.009 14.341 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.415 11.962 12.749 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.236 10.419 14.082 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.890 10.422 12.938 1.00 0.00 H new ATOM 710 N ASP A 49 3.009 13.945 11.338 1.00 0.00 N ATOM 711 CA ASP A 49 3.770 14.296 10.151 1.00 0.00 C ATOM 712 C ASP A 49 2.885 15.110 9.205 1.00 0.00 C ATOM 713 O ASP A 49 1.660 15.008 9.254 1.00 0.00 O ATOM 714 CB ASP A 49 4.233 13.044 9.404 1.00 0.00 C ATOM 715 CG ASP A 49 5.416 12.312 10.040 1.00 0.00 C ATOM 716 OD1 ASP A 49 6.370 12.939 10.524 1.00 0.00 O ATOM 717 OD2 ASP A 49 5.333 11.025 10.025 1.00 0.00 O ATOM 0 H ASP A 49 2.179 13.379 11.161 1.00 0.00 H new ATOM 0 HA ASP A 49 4.641 14.871 10.467 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.394 12.352 9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.504 13.326 8.386 1.00 0.00 H new ATOM 780 N VAL A 53 2.855 11.546 0.592 1.00 0.00 N ATOM 781 CA VAL A 53 3.746 10.835 -0.309 1.00 0.00 C ATOM 782 C VAL A 53 4.905 10.239 0.493 1.00 0.00 C ATOM 783 O VAL A 53 4.988 9.024 0.662 1.00 0.00 O ATOM 784 CB VAL A 53 4.211 11.767 -1.429 1.00 0.00 C ATOM 785 CG1 VAL A 53 4.825 10.973 -2.584 1.00 0.00 C ATOM 786 CG2 VAL A 53 3.061 12.649 -1.921 1.00 0.00 C ATOM 0 HA VAL A 53 3.223 10.008 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 53 4.984 12.419 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.147 11.660 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.683 10.408 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.082 10.285 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.418 13.302 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.257 12.019 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.688 13.254 -1.095 1.00 0.00 H new ATOM 796 N LYS A 54 5.772 11.123 0.965 1.00 0.00 N ATOM 797 CA LYS A 54 6.923 10.700 1.744 1.00 0.00 C ATOM 798 C LYS A 54 6.479 9.668 2.782 1.00 0.00 C ATOM 799 O LYS A 54 7.100 8.615 2.922 1.00 0.00 O ATOM 800 CB LYS A 54 7.636 11.912 2.348 1.00 0.00 C ATOM 801 CG LYS A 54 8.641 12.506 1.359 1.00 0.00 C ATOM 802 CD LYS A 54 9.957 11.727 1.380 1.00 0.00 C ATOM 803 CE LYS A 54 11.154 12.668 1.230 1.00 0.00 C ATOM 804 NZ LYS A 54 11.505 12.836 -0.198 1.00 0.00 N ATOM 0 H LYS A 54 5.700 12.130 0.823 1.00 0.00 H new ATOM 0 HA LYS A 54 7.658 10.213 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.902 12.669 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.151 11.617 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.220 12.489 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.828 13.550 1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.041 11.173 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.963 10.994 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.919 13.637 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.009 12.269 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.319 13.477 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.749 11.911 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.694 13.237 -0.710 1.00 0.00 H new ATOM 818 N VAL A 55 5.407 10.005 3.484 1.00 0.00 N ATOM 819 CA VAL A 55 4.872 9.120 4.505 1.00 0.00 C ATOM 820 C VAL A 55 4.916 7.677 3.997 1.00 0.00 C ATOM 821 O VAL A 55 5.531 6.814 4.622 1.00 0.00 O ATOM 822 CB VAL A 55 3.466 9.571 4.904 1.00 0.00 C ATOM 823 CG1 VAL A 55 3.516 10.860 5.727 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.574 9.741 3.672 1.00 0.00 C ATOM 0 H VAL A 55 4.894 10.879 3.366 1.00 0.00 H new ATOM 0 HA VAL A 55 5.481 9.166 5.408 1.00 0.00 H new ATOM 0 HB VAL A 55 3.029 8.792 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.503 11.159 5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.099 10.691 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.982 11.650 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.580 10.062 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.007 10.491 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.499 8.791 3.143 1.00 0.00 H new ATOM 834 N SER A 56 4.255 7.460 2.870 1.00 0.00 N ATOM 835 CA SER A 56 4.210 6.137 2.271 1.00 0.00 C ATOM 836 C SER A 56 5.617 5.537 2.223 1.00 0.00 C ATOM 837 O SER A 56 5.815 4.380 2.591 1.00 0.00 O ATOM 838 CB SER A 56 3.607 6.188 0.866 1.00 0.00 C ATOM 839 OG SER A 56 2.607 5.190 0.678 1.00 0.00 O ATOM 0 H SER A 56 3.746 8.179 2.355 1.00 0.00 H new ATOM 0 HA SER A 56 3.572 5.504 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.173 7.173 0.693 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.397 6.053 0.127 1.00 0.00 H new ATOM 0 HG SER A 56 2.245 5.256 -0.230 1.00 0.00 H new ATOM 845 N LEU A 57 6.558 6.351 1.765 1.00 0.00 N ATOM 846 CA LEU A 57 7.940 5.915 1.664 1.00 0.00 C ATOM 847 C LEU A 57 8.401 5.377 3.020 1.00 0.00 C ATOM 848 O LEU A 57 9.072 4.348 3.089 1.00 0.00 O ATOM 849 CB LEU A 57 8.819 7.042 1.118 1.00 0.00 C ATOM 850 CG LEU A 57 9.810 6.647 0.021 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.833 5.637 0.545 1.00 0.00 C ATOM 852 CD2 LEU A 57 9.079 6.133 -1.220 1.00 0.00 C ATOM 0 H LEU A 57 6.390 7.310 1.460 1.00 0.00 H new ATOM 0 HA LEU A 57 8.030 5.097 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.170 7.826 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.379 7.474 1.948 1.00 0.00 H new ATOM 0 HG LEU A 57 10.362 7.538 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.526 5.373 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.387 6.077 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.316 4.741 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.807 5.859 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.484 5.259 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.424 6.914 -1.606 1.00 0.00 H new ATOM 864 N PHE A 58 8.024 6.098 4.066 1.00 0.00 N ATOM 865 CA PHE A 58 8.390 5.707 5.416 1.00 0.00 C ATOM 866 C PHE A 58 7.633 4.449 5.848 1.00 0.00 C ATOM 867 O PHE A 58 8.105 3.697 6.699 1.00 0.00 O ATOM 868 CB PHE A 58 8.001 6.864 6.339 1.00 0.00 C ATOM 869 CG PHE A 58 9.169 7.776 6.719 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.572 8.757 5.868 1.00 0.00 C ATOM 871 CD2 PHE A 58 9.804 7.606 7.910 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.656 9.603 6.221 1.00 0.00 C ATOM 873 CE2 PHE A 58 10.888 8.453 8.264 1.00 0.00 C ATOM 874 CZ PHE A 58 11.291 9.434 7.412 1.00 0.00 C ATOM 0 H PHE A 58 7.468 6.951 4.005 1.00 0.00 H new ATOM 0 HA PHE A 58 9.457 5.490 5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.231 7.461 5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.560 6.457 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.067 8.893 4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.484 6.827 8.586 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.977 10.381 5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.392 8.318 9.210 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.115 10.078 7.681 1.00 0.00 H new ATOM 884 N THR A 59 6.471 4.260 5.240 1.00 0.00 N ATOM 885 CA THR A 59 5.643 3.107 5.551 1.00 0.00 C ATOM 886 C THR A 59 6.238 1.841 4.930 1.00 0.00 C ATOM 887 O THR A 59 6.248 0.783 5.558 1.00 0.00 O ATOM 888 CB THR A 59 4.220 3.405 5.076 1.00 0.00 C ATOM 889 OG1 THR A 59 3.912 4.663 5.670 1.00 0.00 O ATOM 890 CG2 THR A 59 3.189 2.447 5.678 1.00 0.00 C ATOM 0 H THR A 59 6.083 4.886 4.534 1.00 0.00 H new ATOM 0 HA THR A 59 5.610 2.921 6.625 1.00 0.00 H new ATOM 0 HB THR A 59 4.181 3.345 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.367 5.378 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.196 2.702 5.308 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.431 1.424 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.205 2.532 6.765 1.00 0.00 H new ATOM 898 N ALA A 60 6.719 1.991 3.705 1.00 0.00 N ATOM 899 CA ALA A 60 7.314 0.874 2.992 1.00 0.00 C ATOM 900 C ALA A 60 8.655 0.519 3.638 1.00 0.00 C ATOM 901 O ALA A 60 8.993 -0.657 3.769 1.00 0.00 O ATOM 902 CB ALA A 60 7.456 1.229 1.511 1.00 0.00 C ATOM 0 H ALA A 60 6.709 2.870 3.188 1.00 0.00 H new ATOM 0 HA ALA A 60 6.674 -0.006 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.903 0.390 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.473 1.444 1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.094 2.107 1.407 1.00 0.00 H new ATOM 908 N PHE A 61 9.383 1.556 4.023 1.00 0.00 N ATOM 909 CA PHE A 61 10.680 1.369 4.651 1.00 0.00 C ATOM 910 C PHE A 61 10.543 0.618 5.977 1.00 0.00 C ATOM 911 O PHE A 61 11.204 -0.396 6.192 1.00 0.00 O ATOM 912 CB PHE A 61 11.251 2.762 4.924 1.00 0.00 C ATOM 913 CG PHE A 61 12.776 2.837 4.837 1.00 0.00 C ATOM 914 CD1 PHE A 61 13.379 3.079 3.642 1.00 0.00 C ATOM 915 CD2 PHE A 61 13.530 2.663 5.956 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.795 3.149 3.562 1.00 0.00 C ATOM 917 CE2 PHE A 61 14.946 2.733 5.876 1.00 0.00 C ATOM 918 CZ PHE A 61 15.549 2.975 4.681 1.00 0.00 C ATOM 0 H PHE A 61 9.099 2.530 3.912 1.00 0.00 H new ATOM 0 HA PHE A 61 11.329 0.785 3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.822 3.466 4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.938 3.084 5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.781 3.218 2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 61 13.052 2.472 6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.273 3.340 2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 61 15.544 2.594 6.764 1.00 0.00 H new ATOM 0 HZ PHE A 61 16.626 3.029 4.620 1.00 0.00 H new ATOM 928 N PHE A 62 9.681 1.147 6.833 1.00 0.00 N ATOM 929 CA PHE A 62 9.449 0.539 8.133 1.00 0.00 C ATOM 930 C PHE A 62 8.802 -0.839 7.986 1.00 0.00 C ATOM 931 O PHE A 62 9.404 -1.852 8.338 1.00 0.00 O ATOM 932 CB PHE A 62 8.492 1.460 8.892 1.00 0.00 C ATOM 933 CG PHE A 62 9.182 2.373 9.908 1.00 0.00 C ATOM 934 CD1 PHE A 62 9.703 1.849 11.049 1.00 0.00 C ATOM 935 CD2 PHE A 62 9.273 3.709 9.670 1.00 0.00 C ATOM 936 CE1 PHE A 62 10.343 2.696 11.992 1.00 0.00 C ATOM 937 CE2 PHE A 62 9.914 4.556 10.612 1.00 0.00 C ATOM 938 CZ PHE A 62 10.435 4.032 11.754 1.00 0.00 C ATOM 0 H PHE A 62 9.135 1.989 6.652 1.00 0.00 H new ATOM 0 HA PHE A 62 10.395 0.412 8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.951 2.076 8.174 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.752 0.850 9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.630 0.788 11.238 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.858 4.126 8.764 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.757 2.279 12.898 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.988 5.617 10.422 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.921 4.676 12.471 1.00 0.00 H new ATOM 948 N LEU A 63 7.583 -0.834 7.466 1.00 0.00 N ATOM 949 CA LEU A 63 6.848 -2.071 7.268 1.00 0.00 C ATOM 950 C LEU A 63 7.796 -3.141 6.723 1.00 0.00 C ATOM 951 O LEU A 63 7.923 -4.218 7.304 1.00 0.00 O ATOM 952 CB LEU A 63 5.621 -1.831 6.387 1.00 0.00 C ATOM 953 CG LEU A 63 4.499 -2.865 6.502 1.00 0.00 C ATOM 954 CD1 LEU A 63 5.012 -4.268 6.174 1.00 0.00 C ATOM 955 CD2 LEU A 63 3.836 -2.804 7.880 1.00 0.00 C ATOM 0 H LEU A 63 7.086 0.008 7.176 1.00 0.00 H new ATOM 0 HA LEU A 63 6.462 -2.440 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.211 -0.851 6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.947 -1.792 5.348 1.00 0.00 H new ATOM 0 HG LEU A 63 3.733 -2.622 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.195 -4.984 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.400 -4.285 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.807 -4.536 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.042 -3.549 7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.579 -3.008 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.414 -1.811 8.037 1.00 0.00 H new ATOM 967 N ALA A 64 8.438 -2.807 5.613 1.00 0.00 N ATOM 968 CA ALA A 64 9.371 -3.726 4.983 1.00 0.00 C ATOM 969 C ALA A 64 10.383 -4.212 6.023 1.00 0.00 C ATOM 970 O ALA A 64 10.614 -5.412 6.156 1.00 0.00 O ATOM 971 CB ALA A 64 10.042 -3.037 3.794 1.00 0.00 C ATOM 0 H ALA A 64 8.331 -1.913 5.134 1.00 0.00 H new ATOM 0 HA ALA A 64 8.847 -4.601 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.742 -3.726 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.283 -2.738 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.580 -2.155 4.141 1.00 0.00 H new ATOM 977 N THR A 65 10.958 -3.253 6.734 1.00 0.00 N ATOM 978 CA THR A 65 11.940 -3.568 7.758 1.00 0.00 C ATOM 979 C THR A 65 11.359 -4.560 8.767 1.00 0.00 C ATOM 980 O THR A 65 12.090 -5.360 9.348 1.00 0.00 O ATOM 981 CB THR A 65 12.399 -2.254 8.392 1.00 0.00 C ATOM 982 OG1 THR A 65 13.051 -1.564 7.329 1.00 0.00 O ATOM 983 CG2 THR A 65 13.501 -2.460 9.434 1.00 0.00 C ATOM 0 H THR A 65 10.763 -2.258 6.621 1.00 0.00 H new ATOM 0 HA THR A 65 12.813 -4.062 7.331 1.00 0.00 H new ATOM 0 HB THR A 65 11.547 -1.759 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.567 -0.735 7.132 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.790 -1.496 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.132 -3.106 10.231 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.366 -2.925 8.961 1.00 0.00 H new ATOM 991 N ILE A 66 10.049 -4.475 8.945 1.00 0.00 N ATOM 992 CA ILE A 66 9.361 -5.355 9.874 1.00 0.00 C ATOM 993 C ILE A 66 9.152 -6.721 9.216 1.00 0.00 C ATOM 994 O ILE A 66 9.115 -7.743 9.899 1.00 0.00 O ATOM 995 CB ILE A 66 8.066 -4.706 10.368 1.00 0.00 C ATOM 996 CG1 ILE A 66 8.326 -3.291 10.888 1.00 0.00 C ATOM 997 CG2 ILE A 66 7.378 -5.584 11.415 1.00 0.00 C ATOM 998 CD1 ILE A 66 7.097 -2.401 10.692 1.00 0.00 C ATOM 0 H ILE A 66 9.446 -3.810 8.461 1.00 0.00 H new ATOM 0 HA ILE A 66 9.968 -5.519 10.764 1.00 0.00 H new ATOM 0 HB ILE A 66 7.383 -4.618 9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.586 -3.330 11.946 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.180 -2.859 10.366 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.460 -5.100 11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.138 -6.553 10.977 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.044 -5.726 12.266 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.308 -1.401 11.070 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.854 -2.344 9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.252 -2.823 11.235 1.00 0.00 H new ATOM 1010 N MET A 67 9.021 -6.694 7.898 1.00 0.00 N ATOM 1011 CA MET A 67 8.818 -7.917 7.141 1.00 0.00 C ATOM 1012 C MET A 67 10.145 -8.638 6.897 1.00 0.00 C ATOM 1013 O MET A 67 10.321 -9.781 7.318 1.00 0.00 O ATOM 1014 CB MET A 67 8.163 -7.584 5.799 1.00 0.00 C ATOM 1015 CG MET A 67 6.713 -8.070 5.760 1.00 0.00 C ATOM 1016 SD MET A 67 6.517 -9.304 4.486 1.00 0.00 S ATOM 1017 CE MET A 67 4.758 -9.589 4.599 1.00 0.00 C ATOM 0 H MET A 67 9.052 -5.844 7.335 1.00 0.00 H new ATOM 0 HA MET A 67 8.169 -8.576 7.718 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.194 -6.507 5.633 1.00 0.00 H new ATOM 0 HB3 MET A 67 8.727 -8.048 4.990 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.434 -8.487 6.728 1.00 0.00 H new ATOM 0 HG3 MET A 67 6.044 -7.230 5.570 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.463 -10.340 3.866 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.510 -9.942 5.600 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.225 -8.659 4.400 1.00 0.00 H new ATOM 1027 N GLY A 68 11.044 -7.942 6.219 1.00 0.00 N ATOM 1028 CA GLY A 68 12.350 -8.502 5.914 1.00 0.00 C ATOM 1029 C GLY A 68 13.414 -7.404 5.840 1.00 0.00 C ATOM 1030 O GLY A 68 13.486 -6.545 6.718 1.00 0.00 O ATOM 0 H GLY A 68 10.895 -6.995 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.625 -9.229 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.308 -9.037 4.965 1.00 0.00 H new ATOM 1231 N PRO A 79 5.323 -11.451 -3.251 1.00 0.00 N ATOM 1232 CA PRO A 79 6.187 -10.547 -2.510 1.00 0.00 C ATOM 1233 C PRO A 79 6.402 -9.242 -3.279 1.00 0.00 C ATOM 1234 O PRO A 79 6.273 -8.157 -2.714 1.00 0.00 O ATOM 1235 CB PRO A 79 7.473 -11.326 -2.290 1.00 0.00 C ATOM 1236 CG PRO A 79 7.458 -12.454 -3.309 1.00 0.00 C ATOM 1237 CD PRO A 79 6.049 -12.555 -3.870 1.00 0.00 C ATOM 0 HA PRO A 79 5.756 -10.238 -1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.345 -10.687 -2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.523 -11.718 -1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.174 -12.257 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.752 -13.394 -2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.048 -12.469 -4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.594 -13.515 -3.626 1.00 0.00 H new ATOM 1245 N ALA A 80 6.725 -9.390 -4.555 1.00 0.00 N ATOM 1246 CA ALA A 80 6.959 -8.237 -5.407 1.00 0.00 C ATOM 1247 C ALA A 80 5.648 -7.472 -5.594 1.00 0.00 C ATOM 1248 O ALA A 80 5.634 -6.242 -5.578 1.00 0.00 O ATOM 1249 CB ALA A 80 7.560 -8.697 -6.736 1.00 0.00 C ATOM 0 H ALA A 80 6.830 -10.292 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 80 7.674 -7.557 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.735 -7.832 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.505 -9.208 -6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.869 -9.379 -7.231 1.00 0.00 H new ATOM 1255 N GLY A 81 4.576 -8.231 -5.767 1.00 0.00 N ATOM 1256 CA GLY A 81 3.262 -7.640 -5.957 1.00 0.00 C ATOM 1257 C GLY A 81 3.065 -6.436 -5.035 1.00 0.00 C ATOM 1258 O GLY A 81 2.699 -5.353 -5.491 1.00 0.00 O ATOM 0 H GLY A 81 4.590 -9.251 -5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.145 -7.330 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.492 -8.385 -5.758 1.00 0.00 H new ATOM 1262 N LEU A 82 3.316 -6.664 -3.754 1.00 0.00 N ATOM 1263 CA LEU A 82 3.170 -5.611 -2.763 1.00 0.00 C ATOM 1264 C LEU A 82 3.877 -4.348 -3.260 1.00 0.00 C ATOM 1265 O LEU A 82 3.295 -3.265 -3.259 1.00 0.00 O ATOM 1266 CB LEU A 82 3.657 -6.091 -1.395 1.00 0.00 C ATOM 1267 CG LEU A 82 5.020 -5.561 -0.944 1.00 0.00 C ATOM 1268 CD1 LEU A 82 4.966 -4.054 -0.690 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.531 -6.330 0.276 1.00 0.00 C ATOM 0 H LEU A 82 3.620 -7.563 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 82 2.119 -5.357 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.915 -5.810 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.699 -7.180 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 82 5.734 -5.726 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.947 -3.703 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.678 -3.541 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.234 -3.842 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.501 -5.933 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.824 -6.220 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.633 -7.386 0.024 1.00 0.00 H new ATOM 1281 N VAL A 83 5.123 -4.530 -3.672 1.00 0.00 N ATOM 1282 CA VAL A 83 5.916 -3.419 -4.170 1.00 0.00 C ATOM 1283 C VAL A 83 5.183 -2.758 -5.339 1.00 0.00 C ATOM 1284 O VAL A 83 5.207 -1.537 -5.481 1.00 0.00 O ATOM 1285 CB VAL A 83 7.319 -3.902 -4.541 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.247 -2.721 -4.831 1.00 0.00 C ATOM 1287 CG2 VAL A 83 7.899 -4.798 -3.444 1.00 0.00 C ATOM 0 H VAL A 83 5.603 -5.430 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 83 6.042 -2.662 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 83 7.238 -4.496 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.238 -3.092 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.847 -2.139 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.318 -2.088 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.897 -5.128 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.958 -4.238 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.256 -5.667 -3.306 1.00 0.00 H new ATOM 1297 N ALA A 84 4.549 -3.595 -6.147 1.00 0.00 N ATOM 1298 CA ALA A 84 3.810 -3.108 -7.299 1.00 0.00 C ATOM 1299 C ALA A 84 2.629 -2.261 -6.822 1.00 0.00 C ATOM 1300 O ALA A 84 2.217 -1.323 -7.503 1.00 0.00 O ATOM 1301 CB ALA A 84 3.367 -4.292 -8.161 1.00 0.00 C ATOM 0 H ALA A 84 4.532 -4.608 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 84 4.443 -2.473 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.813 -3.926 -9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.244 -4.844 -8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.728 -4.951 -7.573 1.00 0.00 H new ATOM 1307 N GLY A 85 2.117 -2.622 -5.654 1.00 0.00 N ATOM 1308 CA GLY A 85 0.991 -1.907 -5.077 1.00 0.00 C ATOM 1309 C GLY A 85 1.409 -0.512 -4.610 1.00 0.00 C ATOM 1310 O GLY A 85 0.824 0.487 -5.025 1.00 0.00 O ATOM 0 H GLY A 85 2.461 -3.400 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.192 -1.824 -5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.590 -2.471 -4.235 1.00 0.00 H new ATOM 1314 N LEU A 86 2.418 -0.488 -3.752 1.00 0.00 N ATOM 1315 CA LEU A 86 2.922 0.769 -3.223 1.00 0.00 C ATOM 1316 C LEU A 86 3.239 1.714 -4.383 1.00 0.00 C ATOM 1317 O LEU A 86 2.888 2.893 -4.342 1.00 0.00 O ATOM 1318 CB LEU A 86 4.108 0.521 -2.290 1.00 0.00 C ATOM 1319 CG LEU A 86 3.856 -0.439 -1.125 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.174 -0.949 -0.539 1.00 0.00 C ATOM 1321 CD2 LEU A 86 2.970 0.212 -0.061 1.00 0.00 C ATOM 0 H LEU A 86 2.901 -1.319 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 86 2.163 1.257 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.936 0.132 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.430 1.479 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 86 3.317 -1.306 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.966 -1.629 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.735 -1.476 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.761 -0.106 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.806 -0.491 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.460 1.107 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.012 0.485 -0.503 1.00 0.00 H new ATOM 1333 N SER A 87 3.900 1.163 -5.391 1.00 0.00 N ATOM 1334 CA SER A 87 4.269 1.942 -6.560 1.00 0.00 C ATOM 1335 C SER A 87 3.018 2.550 -7.199 1.00 0.00 C ATOM 1336 O SER A 87 2.934 3.765 -7.373 1.00 0.00 O ATOM 1337 CB SER A 87 5.022 1.084 -7.579 1.00 0.00 C ATOM 1338 OG SER A 87 5.532 1.862 -8.659 1.00 0.00 O ATOM 0 H SER A 87 4.189 0.185 -5.422 1.00 0.00 H new ATOM 0 HA SER A 87 4.933 2.745 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.845 0.570 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.355 0.315 -7.969 1.00 0.00 H new ATOM 0 HG SER A 87 6.007 1.278 -9.287 1.00 0.00 H new ATOM 1344 N LEU A 88 2.079 1.677 -7.532 1.00 0.00 N ATOM 1345 CA LEU A 88 0.837 2.113 -8.149 1.00 0.00 C ATOM 1346 C LEU A 88 0.279 3.307 -7.372 1.00 0.00 C ATOM 1347 O LEU A 88 -0.194 4.273 -7.968 1.00 0.00 O ATOM 1348 CB LEU A 88 -0.142 0.943 -8.266 1.00 0.00 C ATOM 1349 CG LEU A 88 -0.846 0.790 -9.615 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -1.890 1.891 -9.817 1.00 0.00 C ATOM 1351 CD2 LEU A 88 0.167 0.744 -10.761 1.00 0.00 C ATOM 0 H LEU A 88 2.153 0.670 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 88 1.016 2.452 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.398 0.020 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.902 1.052 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.377 -0.162 -9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.376 1.759 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.637 1.834 -9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.402 2.865 -9.786 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.360 0.635 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.746 1.668 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.838 -0.103 -10.620 1.00 0.00 H new ATOM 1363 N MET A 89 0.352 3.201 -6.053 1.00 0.00 N ATOM 1364 CA MET A 89 -0.141 4.260 -5.189 1.00 0.00 C ATOM 1365 C MET A 89 0.682 5.538 -5.366 1.00 0.00 C ATOM 1366 O MET A 89 0.124 6.621 -5.535 1.00 0.00 O ATOM 1367 CB MET A 89 -0.069 3.804 -3.731 1.00 0.00 C ATOM 1368 CG MET A 89 -1.442 3.355 -3.228 1.00 0.00 C ATOM 1369 SD MET A 89 -2.364 4.763 -2.632 1.00 0.00 S ATOM 1370 CE MET A 89 -4.013 4.282 -3.117 1.00 0.00 C ATOM 0 H MET A 89 0.745 2.398 -5.562 1.00 0.00 H new ATOM 0 HA MET A 89 -1.175 4.475 -5.461 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.642 2.984 -3.638 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.301 4.619 -3.109 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.991 2.865 -4.032 1.00 0.00 H new ATOM 0 HG3 MET A 89 -1.324 2.622 -2.429 1.00 0.00 H new ATOM 0 HE1 MET A 89 -4.720 5.056 -2.818 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.051 4.153 -4.199 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.276 3.343 -2.631 1.00 0.00 H new ATOM 1380 N MET A 90 1.995 5.370 -5.320 1.00 0.00 N ATOM 1381 CA MET A 90 2.900 6.497 -5.472 1.00 0.00 C ATOM 1382 C MET A 90 2.580 7.288 -6.742 1.00 0.00 C ATOM 1383 O MET A 90 2.174 8.447 -6.670 1.00 0.00 O ATOM 1384 CB MET A 90 4.342 5.989 -5.536 1.00 0.00 C ATOM 1385 CG MET A 90 5.310 7.013 -4.942 1.00 0.00 C ATOM 1386 SD MET A 90 6.995 6.508 -5.245 1.00 0.00 S ATOM 1387 CE MET A 90 7.299 7.354 -6.788 1.00 0.00 C ATOM 0 H MET A 90 2.454 4.470 -5.180 1.00 0.00 H new ATOM 0 HA MET A 90 2.776 7.157 -4.614 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.424 5.048 -4.993 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.614 5.784 -6.572 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.131 7.994 -5.383 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.138 7.109 -3.870 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.315 7.146 -7.123 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.590 7.006 -7.540 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.177 8.428 -6.644 1.00 0.00 H new ATOM 1397 N ILE A 91 2.776 6.631 -7.876 1.00 0.00 N ATOM 1398 CA ILE A 91 2.514 7.258 -9.160 1.00 0.00 C ATOM 1399 C ILE A 91 1.123 7.894 -9.137 1.00 0.00 C ATOM 1400 O ILE A 91 0.953 9.040 -9.550 1.00 0.00 O ATOM 1401 CB ILE A 91 2.714 6.255 -10.297 1.00 0.00 C ATOM 1402 CG1 ILE A 91 2.078 4.906 -9.956 1.00 0.00 C ATOM 1403 CG2 ILE A 91 4.196 6.117 -10.653 1.00 0.00 C ATOM 1404 CD1 ILE A 91 0.992 4.540 -10.971 1.00 0.00 C ATOM 0 H ILE A 91 3.113 5.670 -7.932 1.00 0.00 H new ATOM 0 HA ILE A 91 3.228 8.060 -9.346 1.00 0.00 H new ATOM 0 HB ILE A 91 2.205 6.636 -11.182 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.845 4.131 -9.943 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.647 4.945 -8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.310 5.398 -11.464 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.586 7.085 -10.969 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.749 5.770 -9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.556 3.577 -10.706 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.215 5.304 -10.964 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.431 4.478 -11.967 1.00 0.00 H new ATOM 1416 N LEU A 92 0.162 7.122 -8.651 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.209 7.595 -8.569 1.00 0.00 C ATOM 1418 C LEU A 92 -1.237 8.940 -7.841 1.00 0.00 C ATOM 1419 O LEU A 92 -1.975 9.845 -8.229 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.106 6.531 -7.932 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.562 6.937 -7.694 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -4.349 6.948 -9.005 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.215 6.040 -6.640 1.00 0.00 C ATOM 0 H LEU A 92 0.306 6.172 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.614 7.764 -9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.096 5.647 -8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.670 6.241 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.574 7.955 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.381 7.240 -8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.896 7.660 -9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.332 5.952 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.249 6.349 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.192 5.004 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.670 6.127 -5.700 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.425 9.029 -6.797 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.348 10.249 -6.011 1.00 0.00 C ATOM 1437 C ARG A 93 0.363 11.347 -6.804 1.00 0.00 C ATOM 1438 O ARG A 93 0.085 12.531 -6.618 1.00 0.00 O ATOM 1439 CB ARG A 93 0.400 10.011 -4.698 1.00 0.00 C ATOM 1440 CG ARG A 93 -0.516 9.371 -3.653 1.00 0.00 C ATOM 1441 CD ARG A 93 0.250 9.073 -2.362 1.00 0.00 C ATOM 1442 NE ARG A 93 -0.306 9.873 -1.248 1.00 0.00 N ATOM 1443 CZ ARG A 93 0.094 9.767 0.026 1.00 0.00 C ATOM 1444 NH1 ARG A 93 1.055 8.893 0.356 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -0.467 10.534 0.971 1.00 0.00 N ATOM 0 H ARG A 93 0.185 8.276 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.367 10.563 -5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.260 9.366 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.785 10.957 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.351 10.038 -3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.939 8.448 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.183 8.011 -2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.307 9.304 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.040 10.548 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.482 8.309 -0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.360 8.812 1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.199 11.199 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.162 10.453 1.941 1.00 0.00 H new ATOM 1459 N LEU A 94 1.267 10.916 -7.671 1.00 0.00 N ATOM 1460 CA LEU A 94 2.020 11.848 -8.493 1.00 0.00 C ATOM 1461 C LEU A 94 1.061 12.870 -9.106 1.00 0.00 C ATOM 1462 O LEU A 94 1.324 14.072 -9.071 1.00 0.00 O ATOM 1463 CB LEU A 94 2.859 11.094 -9.527 1.00 0.00 C ATOM 1464 CG LEU A 94 4.213 11.716 -9.875 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.226 11.488 -8.752 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.724 11.199 -11.221 1.00 0.00 C ATOM 0 H LEU A 94 1.495 9.933 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 94 2.732 12.404 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.030 10.082 -9.159 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.276 11.005 -10.444 1.00 0.00 H new ATOM 0 HG LEU A 94 4.079 12.793 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.180 11.940 -9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.858 11.943 -7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.363 10.418 -8.597 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.688 11.657 -11.444 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.839 10.116 -11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.010 11.455 -12.004 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.030 12.356 -9.654 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.029 13.210 -10.274 1.00 0.00 C ATOM 1480 C VAL A 95 -1.922 13.814 -9.189 1.00 0.00 C ATOM 1481 O VAL A 95 -2.265 14.994 -9.248 1.00 0.00 O ATOM 1482 CB VAL A 95 -1.815 12.420 -11.323 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -2.927 13.274 -11.934 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -0.884 11.873 -12.407 1.00 0.00 C ATOM 0 H VAL A 95 -0.244 11.359 -9.682 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.551 14.037 -10.799 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.282 11.572 -10.823 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.470 12.688 -12.676 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.614 13.592 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.491 14.151 -12.412 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.467 11.316 -13.140 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.375 12.701 -12.901 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.145 11.212 -11.953 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.272 12.978 -8.222 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.118 13.416 -7.125 1.00 0.00 C ATOM 1496 C LEU A 96 -2.624 14.771 -6.614 1.00 0.00 C ATOM 1497 O LEU A 96 -3.417 15.590 -6.150 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.188 12.339 -6.040 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.330 12.476 -5.031 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.632 11.906 -5.595 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -3.957 11.838 -3.691 1.00 0.00 C ATOM 0 H LEU A 96 -1.985 12.000 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.143 13.559 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.274 11.367 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.245 12.340 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.497 13.537 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.427 12.016 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.902 12.445 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.496 10.850 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.786 11.949 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.746 10.779 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.073 12.331 -3.287 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.318 14.966 -6.718 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.709 16.208 -6.272 1.00 0.00 C ATOM 1515 C LEU A 97 -1.529 17.389 -6.797 1.00 0.00 C ATOM 1516 O LEU A 97 -1.712 18.382 -6.095 1.00 0.00 O ATOM 1517 CB LEU A 97 0.766 16.256 -6.675 1.00 0.00 C ATOM 1518 CG LEU A 97 1.567 17.448 -6.145 1.00 0.00 C ATOM 1519 CD1 LEU A 97 2.562 17.005 -5.071 1.00 0.00 C ATOM 1520 CD2 LEU A 97 2.253 18.198 -7.288 1.00 0.00 C ATOM 0 H LEU A 97 -0.664 14.285 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.720 16.269 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.246 15.339 -6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.825 16.259 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 97 0.873 18.144 -5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.118 17.871 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.022 16.550 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.255 16.279 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.815 19.040 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.933 17.524 -7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.500 18.565 -7.986 1.00 0.00 H new ATOM 1532 N LEU A 98 -1.999 17.242 -8.027 1.00 0.00 N ATOM 1533 CA LEU A 98 -2.794 18.284 -8.653 1.00 0.00 C ATOM 1534 C LEU A 98 -4.147 18.383 -7.945 1.00 0.00 C ATOM 1535 O LEU A 98 -4.676 19.478 -7.759 1.00 0.00 O ATOM 1536 CB LEU A 98 -2.905 18.041 -10.160 1.00 0.00 C ATOM 1537 CG LEU A 98 -2.046 18.942 -11.050 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -0.666 18.324 -11.285 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -2.764 19.260 -12.363 1.00 0.00 C ATOM 0 H LEU A 98 -1.844 16.417 -8.607 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.306 19.252 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.638 17.004 -10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.948 18.164 -10.452 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.891 19.888 -10.531 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.075 18.984 -11.920 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.159 18.191 -10.329 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.779 17.356 -11.773 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.132 19.902 -12.977 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.970 18.333 -12.899 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.702 19.772 -12.150 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.668 17.224 -7.569 1.00 0.00 N ATOM 1552 CA LEU A 99 -5.949 17.166 -6.885 1.00 0.00 C ATOM 1553 C LEU A 99 -5.815 17.812 -5.505 1.00 0.00 C ATOM 1554 O LEU A 99 -5.845 17.122 -4.487 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.469 15.727 -6.843 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.516 15.362 -7.897 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -8.841 16.075 -7.624 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -6.994 15.641 -9.308 1.00 0.00 C ATOM 0 H LEU A 99 -4.226 16.318 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.700 17.736 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.621 15.052 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.896 15.544 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.708 14.291 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.567 15.798 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.216 15.783 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.685 17.154 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.758 15.373 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.755 16.700 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.097 15.049 -9.488 1.00 0.00 H new