USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 607 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 77 CYS SG : rot 180:sc=-0.00227 USER MOD Set 1.2: A 81 ASN : amide:sc= 1.12 X(o=1.1,f=0.76) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 CYS SG : rot 9:sc= 0.784 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc=-0.00945 X(o=-0.0094,f=-0.21) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00483 USER MOD Single : A 33 HIS : no HD1:sc=-0.00349 X(o=-0.0035,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 49 SER OG : rot 180:sc= -0.291 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= -0.0238 (180deg=-0.177) USER MOD Single : A 63 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.65) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 72 HIS : no HD1:sc= -0.095 X(o=-0.095,f=-0.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 78 THR OG1 : rot 60:sc= 1.28 USER MOD Single : A 82 THR OG1 : rot -13:sc= 0.333 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 87 HIS : no HD1:sc= 0.506 K(o=0.51,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 79 N ILE A 7 -4.675 -5.656 -11.346 1.00 65.22 N ATOM 80 CA ILE A 7 -3.556 -4.863 -10.917 1.00 74.53 C ATOM 81 C ILE A 7 -3.848 -3.483 -11.422 1.00 21.23 C ATOM 82 O ILE A 7 -4.317 -3.307 -12.556 1.00 21.15 O ATOM 83 CB ILE A 7 -2.192 -5.353 -11.470 1.00 53.12 C ATOM 84 CG1 ILE A 7 -1.728 -6.661 -10.771 1.00 51.32 C ATOM 85 CG2 ILE A 7 -1.131 -4.240 -11.315 1.00 72.43 C ATOM 86 CD1 ILE A 7 -2.525 -7.905 -11.134 1.00 74.01 C ATOM 0 HA ILE A 7 -3.453 -4.921 -9.833 1.00 74.53 H new ATOM 0 HB ILE A 7 -2.316 -5.580 -12.529 1.00 53.12 H new ATOM 0 HG12 ILE A 7 -0.681 -6.835 -11.018 1.00 51.32 H new ATOM 0 HG13 ILE A 7 -1.781 -6.516 -9.692 1.00 51.32 H new ATOM 0 HG21 ILE A 7 -0.176 -4.591 -11.705 1.00 72.43 H new ATOM 0 HG22 ILE A 7 -1.447 -3.356 -11.870 1.00 72.43 H new ATOM 0 HG23 ILE A 7 -1.021 -3.987 -10.261 1.00 72.43 H new ATOM 0 HD11 ILE A 7 -2.124 -8.764 -10.595 1.00 74.01 H new ATOM 0 HD12 ILE A 7 -3.570 -7.760 -10.860 1.00 74.01 H new ATOM 0 HD13 ILE A 7 -2.452 -8.083 -12.207 1.00 74.01 H new ATOM 98 N PHE A 8 -3.621 -2.480 -10.568 1.00 51.13 N ATOM 99 CA PHE A 8 -3.865 -1.124 -10.928 1.00 73.15 C ATOM 100 C PHE A 8 -2.784 -0.325 -10.275 1.00 61.44 C ATOM 101 O PHE A 8 -2.222 -0.733 -9.255 1.00 23.40 O ATOM 102 CB PHE A 8 -5.277 -0.565 -10.496 1.00 4.31 C ATOM 103 CG PHE A 8 -5.505 -0.753 -9.000 1.00 25.30 C ATOM 104 CD1 PHE A 8 -5.666 -2.051 -8.428 1.00 64.51 C ATOM 105 CD2 PHE A 8 -5.583 0.374 -8.144 1.00 44.13 C ATOM 106 CE1 PHE A 8 -5.860 -2.200 -7.042 1.00 14.34 C ATOM 107 CE2 PHE A 8 -5.792 0.209 -6.758 1.00 2.52 C ATOM 108 CZ PHE A 8 -5.922 -1.078 -6.211 1.00 43.44 C ATOM 0 H PHE A 8 -3.266 -2.608 -9.620 1.00 51.13 H new ATOM 0 HA PHE A 8 -3.865 -1.052 -12.016 1.00 73.15 H new ATOM 0 HB2 PHE A 8 -5.346 0.493 -10.748 1.00 4.31 H new ATOM 0 HB3 PHE A 8 -6.061 -1.077 -11.054 1.00 4.31 H new ATOM 0 HD1 PHE A 8 -5.639 -2.924 -9.063 1.00 64.51 H new ATOM 0 HD2 PHE A 8 -5.482 1.367 -8.556 1.00 44.13 H new ATOM 0 HE1 PHE A 8 -5.962 -3.188 -6.618 1.00 14.34 H new ATOM 0 HE2 PHE A 8 -5.852 1.075 -6.116 1.00 2.52 H new ATOM 0 HZ PHE A 8 -6.070 -1.201 -5.148 1.00 43.44 H new ATOM 118 N GLU A 9 -2.441 0.816 -10.874 1.00 34.23 N ATOM 119 CA GLU A 9 -1.411 1.650 -10.336 1.00 72.44 C ATOM 120 C GLU A 9 -2.113 2.807 -9.717 1.00 62.01 C ATOM 121 O GLU A 9 -3.133 3.274 -10.238 1.00 53.41 O ATOM 122 CB GLU A 9 -0.477 2.213 -11.415 1.00 15.53 C ATOM 123 CG GLU A 9 0.188 1.113 -12.230 1.00 13.14 C ATOM 124 CD GLU A 9 1.111 1.737 -13.225 1.00 44.14 C ATOM 125 OE1 GLU A 9 0.617 2.355 -14.195 1.00 0.34 O ATOM 126 OE2 GLU A 9 2.340 1.612 -13.045 1.00 53.44 O ATOM 0 H GLU A 9 -2.871 1.168 -11.729 1.00 34.23 H new ATOM 0 HA GLU A 9 -0.804 1.065 -9.645 1.00 72.44 H new ATOM 0 HB2 GLU A 9 -1.044 2.864 -12.081 1.00 15.53 H new ATOM 0 HB3 GLU A 9 0.290 2.828 -10.944 1.00 15.53 H new ATOM 0 HG2 GLU A 9 0.740 0.440 -11.574 1.00 13.14 H new ATOM 0 HG3 GLU A 9 -0.566 0.514 -12.740 1.00 13.14 H new ATOM 133 N VAL A 10 -1.596 3.292 -8.600 1.00 32.04 N ATOM 134 CA VAL A 10 -2.140 4.461 -7.986 1.00 44.24 C ATOM 135 C VAL A 10 -0.981 5.337 -7.743 1.00 11.52 C ATOM 136 O VAL A 10 0.027 4.908 -7.201 1.00 43.21 O ATOM 137 CB VAL A 10 -2.836 4.191 -6.647 1.00 1.53 C ATOM 138 CG1 VAL A 10 -3.375 5.518 -6.061 1.00 1.45 C ATOM 139 CG2 VAL A 10 -3.953 3.159 -6.887 1.00 2.32 C ATOM 0 H VAL A 10 -0.800 2.884 -8.110 1.00 32.04 H new ATOM 0 HA VAL A 10 -2.903 4.889 -8.636 1.00 44.24 H new ATOM 0 HB VAL A 10 -2.139 3.782 -5.915 1.00 1.53 H new ATOM 0 HG11 VAL A 10 -3.869 5.321 -5.109 1.00 1.45 H new ATOM 0 HG12 VAL A 10 -2.547 6.209 -5.904 1.00 1.45 H new ATOM 0 HG13 VAL A 10 -4.089 5.959 -6.756 1.00 1.45 H new ATOM 0 HG21 VAL A 10 -4.464 2.950 -5.947 1.00 2.32 H new ATOM 0 HG22 VAL A 10 -4.668 3.557 -7.607 1.00 2.32 H new ATOM 0 HG23 VAL A 10 -3.520 2.238 -7.277 1.00 2.32 H new ATOM 149 N GLU A 11 -1.096 6.598 -8.146 1.00 11.22 N ATOM 150 CA GLU A 11 -0.106 7.544 -7.800 1.00 53.15 C ATOM 151 C GLU A 11 -0.722 8.314 -6.691 1.00 24.32 C ATOM 152 O GLU A 11 -1.775 8.934 -6.847 1.00 20.54 O ATOM 153 CB GLU A 11 0.324 8.464 -8.951 1.00 73.34 C ATOM 154 CG GLU A 11 -0.818 9.143 -9.706 1.00 20.34 C ATOM 155 CD GLU A 11 -0.204 9.970 -10.797 1.00 52.24 C ATOM 156 OE1 GLU A 11 0.453 9.395 -11.682 1.00 22.45 O ATOM 157 OE2 GLU A 11 -0.366 11.206 -10.777 1.00 43.42 O ATOM 0 H GLU A 11 -1.867 6.962 -8.707 1.00 11.22 H new ATOM 0 HA GLU A 11 0.823 7.045 -7.525 1.00 53.15 H new ATOM 0 HB2 GLU A 11 0.982 9.235 -8.551 1.00 73.34 H new ATOM 0 HB3 GLU A 11 0.911 7.881 -9.661 1.00 73.34 H new ATOM 0 HG2 GLU A 11 -1.498 8.400 -10.124 1.00 20.34 H new ATOM 0 HG3 GLU A 11 -1.404 9.769 -9.033 1.00 20.34 H new ATOM 164 N LEU A 12 -0.149 8.164 -5.514 1.00 60.24 N ATOM 165 CA LEU A 12 -0.745 8.645 -4.335 1.00 65.43 C ATOM 166 C LEU A 12 -0.012 9.867 -3.984 1.00 75.22 C ATOM 167 O LEU A 12 1.202 9.829 -3.833 1.00 74.44 O ATOM 168 CB LEU A 12 -0.587 7.621 -3.186 1.00 14.24 C ATOM 169 CG LEU A 12 -1.654 7.708 -2.098 1.00 72.11 C ATOM 170 CD1 LEU A 12 -1.476 8.888 -1.150 1.00 21.34 C ATOM 171 CD2 LEU A 12 -3.065 7.621 -2.685 1.00 23.22 C ATOM 0 H LEU A 12 0.748 7.699 -5.373 1.00 60.24 H new ATOM 0 HA LEU A 12 -1.810 8.823 -4.484 1.00 65.43 H new ATOM 0 HB2 LEU A 12 -0.601 6.617 -3.609 1.00 14.24 H new ATOM 0 HB3 LEU A 12 0.392 7.760 -2.727 1.00 14.24 H new ATOM 0 HG LEU A 12 -1.513 6.830 -1.468 1.00 72.11 H new ATOM 0 HD11 LEU A 12 -2.273 8.881 -0.406 1.00 21.34 H new ATOM 0 HD12 LEU A 12 -0.511 8.810 -0.649 1.00 21.34 H new ATOM 0 HD13 LEU A 12 -1.517 9.819 -1.716 1.00 21.34 H new ATOM 0 HD21 LEU A 12 -3.798 7.686 -1.881 1.00 23.22 H new ATOM 0 HD22 LEU A 12 -3.219 8.443 -3.385 1.00 23.22 H new ATOM 0 HD23 LEU A 12 -3.184 6.672 -3.208 1.00 23.22 H new ATOM 183 N ALA A 13 -0.722 10.993 -3.877 1.00 61.22 N ATOM 184 CA ALA A 13 -0.097 12.232 -3.525 1.00 70.34 C ATOM 185 C ALA A 13 -0.706 12.647 -2.246 1.00 1.43 C ATOM 186 O ALA A 13 -1.873 12.357 -1.995 1.00 51.24 O ATOM 187 CB ALA A 13 -0.369 13.363 -4.539 1.00 71.45 C ATOM 0 H ALA A 13 -1.728 11.053 -4.033 1.00 61.22 H new ATOM 0 HA ALA A 13 0.981 12.076 -3.487 1.00 70.34 H new ATOM 0 HB1 ALA A 13 0.133 14.273 -4.212 1.00 71.45 H new ATOM 0 HB2 ALA A 13 0.009 13.072 -5.519 1.00 71.45 H new ATOM 0 HB3 ALA A 13 -1.442 13.544 -4.603 1.00 71.45 H new ATOM 193 N LYS A 14 0.057 13.376 -1.411 1.00 23.44 N ATOM 194 CA LYS A 14 -0.555 14.052 -0.327 1.00 15.31 C ATOM 195 C LYS A 14 -0.214 15.446 -0.572 1.00 65.54 C ATOM 196 O LYS A 14 -1.008 16.251 -1.050 1.00 34.41 O ATOM 197 CB LYS A 14 0.024 13.653 1.083 1.00 65.41 C ATOM 198 CG LYS A 14 -0.554 14.509 2.237 1.00 14.33 C ATOM 199 CD LYS A 14 -2.086 14.445 2.357 1.00 2.14 C ATOM 200 CE LYS A 14 -2.682 15.715 2.919 1.00 22.53 C ATOM 201 NZ LYS A 14 -2.330 15.899 4.336 1.00 73.14 N ATOM 0 H LYS A 14 1.068 13.491 -1.488 1.00 23.44 H new ATOM 0 HA LYS A 14 -1.619 13.818 -0.287 1.00 15.31 H new ATOM 0 HB2 LYS A 14 -0.192 12.602 1.274 1.00 65.41 H new ATOM 0 HB3 LYS A 14 1.109 13.758 1.068 1.00 65.41 H new ATOM 0 HG2 LYS A 14 -0.112 14.179 3.177 1.00 14.33 H new ATOM 0 HG3 LYS A 14 -0.254 15.547 2.091 1.00 14.33 H new ATOM 0 HD2 LYS A 14 -2.515 14.251 1.374 1.00 2.14 H new ATOM 0 HD3 LYS A 14 -2.361 13.606 2.996 1.00 2.14 H new ATOM 0 HE2 LYS A 14 -2.329 16.570 2.342 1.00 22.53 H new ATOM 0 HE3 LYS A 14 -3.767 15.686 2.814 1.00 22.53 H new ATOM 0 HZ1 LYS A 14 -2.756 16.780 4.688 1.00 73.14 H new ATOM 0 HZ2 LYS A 14 -2.689 15.095 4.890 1.00 73.14 H new ATOM 0 HZ3 LYS A 14 -1.296 15.952 4.433 1.00 73.14 H new ATOM 285 N GLY A 20 0.074 9.111 5.328 1.00 0.23 N ATOM 286 CA GLY A 20 -1.034 8.776 6.198 1.00 34.22 C ATOM 287 C GLY A 20 -1.516 7.418 5.808 1.00 32.45 C ATOM 288 O GLY A 20 -2.727 7.156 5.732 1.00 10.04 O ATOM 0 HA2 GLY A 20 -0.719 8.786 7.241 1.00 34.22 H new ATOM 0 HA3 GLY A 20 -1.834 9.510 6.100 1.00 34.22 H new ATOM 292 N ILE A 21 -0.561 6.519 5.536 1.00 32.23 N ATOM 293 CA ILE A 21 -0.864 5.176 5.163 1.00 1.01 C ATOM 294 C ILE A 21 0.152 4.385 5.924 1.00 70.01 C ATOM 295 O ILE A 21 1.211 4.926 6.263 1.00 32.23 O ATOM 296 CB ILE A 21 -0.652 4.916 3.649 1.00 22.11 C ATOM 297 CG1 ILE A 21 -1.299 6.040 2.810 1.00 30.03 C ATOM 298 CG2 ILE A 21 -1.198 3.505 3.275 1.00 33.22 C ATOM 299 CD1 ILE A 21 -1.080 5.884 1.301 1.00 51.13 C ATOM 0 H ILE A 21 0.437 6.726 5.575 1.00 32.23 H new ATOM 0 HA ILE A 21 -1.905 4.928 5.371 1.00 1.01 H new ATOM 0 HB ILE A 21 0.414 4.928 3.422 1.00 22.11 H new ATOM 0 HG12 ILE A 21 -2.370 6.063 3.013 1.00 30.03 H new ATOM 0 HG13 ILE A 21 -0.894 7.000 3.130 1.00 30.03 H new ATOM 0 HG21 ILE A 21 -1.047 3.327 2.210 1.00 33.22 H new ATOM 0 HG22 ILE A 21 -0.667 2.746 3.849 1.00 33.22 H new ATOM 0 HG23 ILE A 21 -2.263 3.454 3.504 1.00 33.22 H new ATOM 0 HD11 ILE A 21 -1.562 6.709 0.776 1.00 51.13 H new ATOM 0 HD12 ILE A 21 -0.012 5.892 1.086 1.00 51.13 H new ATOM 0 HD13 ILE A 21 -1.511 4.940 0.967 1.00 51.13 H new ATOM 311 N CYS A 22 -0.123 3.099 6.182 1.00 21.54 N ATOM 312 CA CYS A 22 0.887 2.211 6.711 1.00 11.25 C ATOM 313 C CYS A 22 0.457 0.876 6.237 1.00 14.34 C ATOM 314 O CYS A 22 -0.627 0.737 5.644 1.00 13.33 O ATOM 315 CB CYS A 22 0.954 2.139 8.265 1.00 73.42 C ATOM 316 SG CYS A 22 1.462 3.715 9.022 1.00 43.22 S ATOM 0 H CYS A 22 -1.034 2.665 6.030 1.00 21.54 H new ATOM 0 HA CYS A 22 1.869 2.557 6.388 1.00 11.25 H new ATOM 0 HB2 CYS A 22 -0.023 1.853 8.654 1.00 73.42 H new ATOM 0 HB3 CYS A 22 1.655 1.358 8.558 1.00 73.42 H new ATOM 0 HG CYS A 22 1.482 4.646 8.115 1.00 43.22 H new ATOM 321 N VAL A 23 1.329 -0.120 6.379 1.00 62.45 N ATOM 322 CA VAL A 23 1.141 -1.368 5.726 1.00 5.34 C ATOM 323 C VAL A 23 1.562 -2.433 6.708 1.00 25.34 C ATOM 324 O VAL A 23 2.127 -2.141 7.768 1.00 51.13 O ATOM 325 CB VAL A 23 1.983 -1.488 4.455 1.00 64.54 C ATOM 326 CG1 VAL A 23 1.215 -0.833 3.285 1.00 74.21 C ATOM 327 CG2 VAL A 23 3.345 -0.817 4.701 1.00 13.42 C ATOM 0 H VAL A 23 2.172 -0.064 6.950 1.00 62.45 H new ATOM 0 HA VAL A 23 0.099 -1.470 5.423 1.00 5.34 H new ATOM 0 HB VAL A 23 2.163 -2.531 4.195 1.00 64.54 H new ATOM 0 HG11 VAL A 23 1.806 -0.912 2.372 1.00 74.21 H new ATOM 0 HG12 VAL A 23 0.261 -1.342 3.145 1.00 74.21 H new ATOM 0 HG13 VAL A 23 1.035 0.218 3.511 1.00 74.21 H new ATOM 0 HG21 VAL A 23 3.957 -0.895 3.802 1.00 13.42 H new ATOM 0 HG22 VAL A 23 3.194 0.234 4.947 1.00 13.42 H new ATOM 0 HG23 VAL A 23 3.851 -1.314 5.529 1.00 13.42 H new ATOM 337 N THR A 24 1.228 -3.667 6.375 1.00 2.21 N ATOM 338 CA THR A 24 1.481 -4.801 7.203 1.00 13.31 C ATOM 339 C THR A 24 1.820 -5.882 6.228 1.00 64.03 C ATOM 340 O THR A 24 1.613 -5.705 5.038 1.00 24.13 O ATOM 341 CB THR A 24 0.266 -5.205 8.063 1.00 53.44 C ATOM 342 OG1 THR A 24 0.582 -6.250 8.997 1.00 22.20 O ATOM 343 CG2 THR A 24 -0.916 -5.622 7.149 1.00 22.33 C ATOM 0 H THR A 24 0.763 -3.899 5.497 1.00 2.21 H new ATOM 0 HA THR A 24 2.271 -4.597 7.926 1.00 13.31 H new ATOM 0 HB THR A 24 -0.025 -4.335 8.652 1.00 53.44 H new ATOM 0 HG1 THR A 24 -0.216 -6.472 9.521 1.00 22.20 H new ATOM 0 HG21 THR A 24 -1.770 -5.906 7.765 1.00 22.33 H new ATOM 0 HG22 THR A 24 -1.193 -4.785 6.508 1.00 22.33 H new ATOM 0 HG23 THR A 24 -0.617 -6.469 6.531 1.00 22.33 H new ATOM 351 N GLY A 25 2.367 -7.012 6.699 1.00 11.43 N ATOM 352 CA GLY A 25 2.666 -8.108 5.809 1.00 63.14 C ATOM 353 C GLY A 25 4.033 -7.921 5.261 1.00 55.04 C ATOM 354 O GLY A 25 4.395 -6.842 4.879 1.00 55.34 O ATOM 0 H GLY A 25 2.603 -7.176 7.678 1.00 11.43 H new ATOM 0 HA2 GLY A 25 2.600 -9.056 6.343 1.00 63.14 H new ATOM 0 HA3 GLY A 25 1.937 -8.146 5.000 1.00 63.14 H new ATOM 358 N GLY A 26 4.839 -8.997 5.250 1.00 3.20 N ATOM 359 CA GLY A 26 6.065 -8.987 4.505 1.00 42.42 C ATOM 360 C GLY A 26 6.571 -10.403 4.373 1.00 23.14 C ATOM 361 O GLY A 26 6.148 -11.145 3.498 1.00 43.11 O ATOM 0 H GLY A 26 4.648 -9.866 5.749 1.00 3.20 H new ATOM 0 HA2 GLY A 26 5.903 -8.552 3.519 1.00 42.42 H new ATOM 0 HA3 GLY A 26 6.807 -8.367 5.009 1.00 42.42 H new ATOM 365 N VAL A 27 7.536 -10.774 5.242 1.00 51.32 N ATOM 366 CA VAL A 27 8.394 -11.983 5.150 1.00 31.51 C ATOM 367 C VAL A 27 7.675 -13.328 5.322 1.00 25.43 C ATOM 368 O VAL A 27 8.327 -14.305 5.717 1.00 44.52 O ATOM 369 CB VAL A 27 9.586 -11.931 6.075 1.00 64.33 C ATOM 370 CG1 VAL A 27 10.486 -10.804 5.584 1.00 43.14 C ATOM 371 CG2 VAL A 27 9.101 -11.731 7.524 1.00 14.24 C ATOM 0 H VAL A 27 7.751 -10.214 6.067 1.00 51.32 H new ATOM 0 HA VAL A 27 8.732 -11.946 4.114 1.00 31.51 H new ATOM 0 HB VAL A 27 10.157 -12.859 6.069 1.00 64.33 H new ATOM 0 HG11 VAL A 27 11.363 -10.732 6.228 1.00 43.14 H new ATOM 0 HG12 VAL A 27 10.802 -11.010 4.561 1.00 43.14 H new ATOM 0 HG13 VAL A 27 9.938 -9.862 5.611 1.00 43.14 H new ATOM 0 HG21 VAL A 27 9.960 -11.693 8.193 1.00 14.24 H new ATOM 0 HG22 VAL A 27 8.544 -10.797 7.596 1.00 14.24 H new ATOM 0 HG23 VAL A 27 8.455 -12.561 7.809 1.00 14.24 H new ATOM 381 N ASN A 28 6.352 -13.395 5.119 1.00 1.10 N ATOM 382 CA ASN A 28 5.546 -14.610 5.418 1.00 75.22 C ATOM 383 C ASN A 28 5.140 -14.527 6.843 1.00 10.21 C ATOM 384 O ASN A 28 5.534 -15.313 7.691 1.00 11.42 O ATOM 385 CB ASN A 28 6.176 -16.020 5.108 1.00 74.43 C ATOM 386 CG ASN A 28 5.085 -17.096 5.247 1.00 2.22 C ATOM 387 OD1 ASN A 28 4.062 -17.039 4.567 1.00 71.01 O ATOM 388 ND2 ASN A 28 5.293 -18.091 6.133 1.00 63.12 N ATOM 0 H ASN A 28 5.804 -12.620 4.746 1.00 1.10 H new ATOM 0 HA ASN A 28 4.713 -14.581 4.716 1.00 75.22 H new ATOM 0 HB2 ASN A 28 6.592 -16.033 4.101 1.00 74.43 H new ATOM 0 HB3 ASN A 28 6.997 -16.225 5.795 1.00 74.43 H new ATOM 0 HD21 ASN A 28 4.592 -18.822 6.253 1.00 63.12 H new ATOM 0 HD22 ASN A 28 6.151 -18.112 6.684 1.00 63.12 H new ATOM 395 N THR A 29 4.332 -13.521 7.081 1.00 12.41 N ATOM 396 CA THR A 29 3.712 -13.297 8.344 1.00 75.35 C ATOM 397 C THR A 29 2.370 -14.011 8.248 1.00 44.32 C ATOM 398 O THR A 29 2.184 -14.863 7.375 1.00 60.33 O ATOM 399 CB THR A 29 3.589 -11.822 8.742 1.00 71.33 C ATOM 400 OG1 THR A 29 3.206 -11.661 10.119 1.00 40.12 O ATOM 401 CG2 THR A 29 2.599 -11.103 7.818 1.00 24.15 C ATOM 0 H THR A 29 4.088 -12.824 6.377 1.00 12.41 H new ATOM 0 HA THR A 29 4.328 -13.691 9.152 1.00 75.35 H new ATOM 0 HB THR A 29 4.574 -11.370 8.629 1.00 71.33 H new ATOM 0 HG1 THR A 29 3.141 -10.706 10.331 1.00 40.12 H new ATOM 0 HG21 THR A 29 2.521 -10.056 8.112 1.00 24.15 H new ATOM 0 HG22 THR A 29 2.951 -11.166 6.788 1.00 24.15 H new ATOM 0 HG23 THR A 29 1.620 -11.575 7.896 1.00 24.15 H new ATOM 409 N SER A 30 1.466 -13.729 9.181 1.00 43.53 N ATOM 410 CA SER A 30 0.175 -14.375 9.294 1.00 55.11 C ATOM 411 C SER A 30 -0.617 -14.345 7.966 1.00 10.34 C ATOM 412 O SER A 30 -1.514 -15.172 7.772 1.00 0.10 O ATOM 413 CB SER A 30 -0.671 -13.696 10.381 1.00 51.14 C ATOM 414 OG SER A 30 0.111 -13.578 11.583 1.00 73.15 O ATOM 0 H SER A 30 1.623 -13.022 9.899 1.00 43.53 H new ATOM 0 HA SER A 30 0.371 -15.415 9.556 1.00 55.11 H new ATOM 0 HB2 SER A 30 -0.994 -12.711 10.045 1.00 51.14 H new ATOM 0 HB3 SER A 30 -1.572 -14.278 10.574 1.00 51.14 H new ATOM 0 HG SER A 30 -0.424 -13.144 12.280 1.00 73.15 H new ATOM 420 N VAL A 31 -0.315 -13.408 7.021 1.00 31.33 N ATOM 421 CA VAL A 31 -0.997 -13.424 5.740 1.00 44.42 C ATOM 422 C VAL A 31 -0.229 -14.376 4.818 1.00 44.34 C ATOM 423 O VAL A 31 1.002 -14.329 4.726 1.00 64.24 O ATOM 424 CB VAL A 31 -1.160 -12.055 5.089 1.00 4.03 C ATOM 425 CG1 VAL A 31 -2.160 -11.243 5.945 1.00 65.22 C ATOM 426 CG2 VAL A 31 0.215 -11.355 4.955 1.00 23.42 C ATOM 0 H VAL A 31 0.375 -12.666 7.137 1.00 31.33 H new ATOM 0 HA VAL A 31 -2.018 -13.764 5.913 1.00 44.42 H new ATOM 0 HB VAL A 31 -1.554 -12.145 4.077 1.00 4.03 H new ATOM 0 HG11 VAL A 31 -2.298 -10.256 5.504 1.00 65.22 H new ATOM 0 HG12 VAL A 31 -3.117 -11.763 5.978 1.00 65.22 H new ATOM 0 HG13 VAL A 31 -1.770 -11.137 6.957 1.00 65.22 H new ATOM 0 HG21 VAL A 31 0.082 -10.379 4.489 1.00 23.42 H new ATOM 0 HG22 VAL A 31 0.656 -11.228 5.943 1.00 23.42 H new ATOM 0 HG23 VAL A 31 0.875 -11.965 4.339 1.00 23.42 H new ATOM 436 N ARG A 32 -0.970 -15.303 4.174 1.00 13.15 N ATOM 437 CA ARG A 32 -0.379 -16.433 3.457 1.00 42.22 C ATOM 438 C ARG A 32 0.358 -15.981 2.225 1.00 2.52 C ATOM 439 O ARG A 32 1.384 -16.538 1.879 1.00 61.15 O ATOM 440 CB ARG A 32 -1.431 -17.492 3.055 1.00 33.15 C ATOM 441 CG ARG A 32 -2.168 -18.038 4.283 1.00 25.14 C ATOM 442 CD ARG A 32 -3.259 -19.078 3.979 1.00 52.02 C ATOM 443 NE ARG A 32 -3.964 -19.344 5.290 1.00 44.12 N ATOM 444 CZ ARG A 32 -3.985 -20.588 5.894 1.00 61.32 C ATOM 445 NH1 ARG A 32 -3.552 -21.695 5.230 1.00 32.00 N ATOM 446 NH2 ARG A 32 -4.437 -20.702 7.177 1.00 45.13 N ATOM 0 H ARG A 32 -1.989 -15.282 4.142 1.00 13.15 H new ATOM 0 HA ARG A 32 0.324 -16.891 4.153 1.00 42.22 H new ATOM 0 HB2 ARG A 32 -2.149 -17.051 2.364 1.00 33.15 H new ATOM 0 HB3 ARG A 32 -0.942 -18.311 2.527 1.00 33.15 H new ATOM 0 HG2 ARG A 32 -1.438 -18.487 4.956 1.00 25.14 H new ATOM 0 HG3 ARG A 32 -2.622 -17.203 4.816 1.00 25.14 H new ATOM 0 HD2 ARG A 32 -3.957 -18.703 3.231 1.00 52.02 H new ATOM 0 HD3 ARG A 32 -2.824 -19.993 3.578 1.00 52.02 H new ATOM 0 HE ARG A 32 -4.446 -18.571 5.750 1.00 44.12 H new ATOM 0 HH11 ARG A 32 -3.206 -21.613 4.274 1.00 32.00 H new ATOM 0 HH12 ARG A 32 -3.574 -22.606 5.689 1.00 32.00 H new ATOM 0 HH21 ARG A 32 -4.755 -19.874 7.681 1.00 45.13 H new ATOM 0 HH22 ARG A 32 -4.457 -21.615 7.632 1.00 45.13 H new ATOM 460 N HIS A 33 -0.142 -14.956 1.520 1.00 65.05 N ATOM 461 CA HIS A 33 0.502 -14.551 0.259 1.00 40.54 C ATOM 462 C HIS A 33 1.723 -13.726 0.577 1.00 33.40 C ATOM 463 O HIS A 33 2.454 -13.319 -0.325 1.00 43.25 O ATOM 464 CB HIS A 33 -0.410 -13.685 -0.651 1.00 34.22 C ATOM 465 CG HIS A 33 -1.654 -14.405 -1.105 1.00 32.14 C ATOM 466 ND1 HIS A 33 -2.699 -13.760 -1.711 1.00 75.54 N ATOM 467 CD2 HIS A 33 -1.966 -15.721 -1.067 1.00 74.44 C ATOM 468 CE1 HIS A 33 -3.628 -14.662 -2.023 1.00 31.43 C ATOM 469 NE2 HIS A 33 -3.200 -15.863 -1.641 1.00 21.21 N ATOM 0 H HIS A 33 -0.960 -14.408 1.787 1.00 65.05 H new ATOM 0 HA HIS A 33 0.740 -15.471 -0.274 1.00 40.54 H new ATOM 0 HB2 HIS A 33 -0.697 -12.782 -0.112 1.00 34.22 H new ATOM 0 HB3 HIS A 33 0.157 -13.367 -1.526 1.00 34.22 H new ATOM 0 HD2 HIS A 33 -1.355 -16.512 -0.659 1.00 74.44 H new ATOM 0 HE1 HIS A 33 -4.571 -14.454 -2.506 1.00 31.43 H new ATOM 0 HE2 HIS A 33 -3.706 -16.741 -1.757 1.00 21.21 H new ATOM 478 N GLY A 34 1.952 -13.434 1.887 1.00 32.21 N ATOM 479 CA GLY A 34 3.046 -12.547 2.313 1.00 44.25 C ATOM 480 C GLY A 34 2.772 -11.166 1.779 1.00 72.51 C ATOM 481 O GLY A 34 3.662 -10.343 1.665 1.00 74.02 O ATOM 0 H GLY A 34 1.391 -13.803 2.655 1.00 32.21 H new ATOM 0 HA2 GLY A 34 3.116 -12.526 3.401 1.00 44.25 H new ATOM 0 HA3 GLY A 34 4.001 -12.916 1.939 1.00 44.25 H new ATOM 485 N GLY A 35 1.510 -10.925 1.390 1.00 52.22 N ATOM 486 CA GLY A 35 1.137 -9.703 0.736 1.00 65.42 C ATOM 487 C GLY A 35 1.338 -8.570 1.673 1.00 42.10 C ATOM 488 O GLY A 35 0.943 -8.635 2.825 1.00 45.54 O ATOM 0 H GLY A 35 0.739 -11.579 1.528 1.00 52.22 H new ATOM 0 HA2 GLY A 35 1.737 -9.559 -0.162 1.00 65.42 H new ATOM 0 HA3 GLY A 35 0.095 -9.749 0.419 1.00 65.42 H new ATOM 492 N ILE A 36 1.946 -7.490 1.162 1.00 50.12 N ATOM 493 CA ILE A 36 2.083 -6.280 1.909 1.00 51.44 C ATOM 494 C ILE A 36 0.701 -5.640 1.808 1.00 74.55 C ATOM 495 O ILE A 36 0.331 -5.138 0.756 1.00 43.24 O ATOM 496 CB ILE A 36 3.120 -5.320 1.272 1.00 21.32 C ATOM 497 CG1 ILE A 36 4.492 -6.025 0.929 1.00 1.04 C ATOM 498 CG2 ILE A 36 3.265 -4.064 2.146 1.00 44.12 C ATOM 499 CD1 ILE A 36 5.564 -5.996 2.036 1.00 11.32 C ATOM 0 H ILE A 36 2.346 -7.453 0.225 1.00 50.12 H new ATOM 0 HA ILE A 36 2.421 -6.475 2.927 1.00 51.44 H new ATOM 0 HB ILE A 36 2.745 -5.003 0.299 1.00 21.32 H new ATOM 0 HG12 ILE A 36 4.289 -7.065 0.675 1.00 1.04 H new ATOM 0 HG13 ILE A 36 4.906 -5.554 0.038 1.00 1.04 H new ATOM 0 HG21 ILE A 36 3.995 -3.390 1.697 1.00 44.12 H new ATOM 0 HG22 ILE A 36 2.302 -3.559 2.220 1.00 44.12 H new ATOM 0 HG23 ILE A 36 3.602 -4.351 3.142 1.00 44.12 H new ATOM 0 HD11 ILE A 36 6.461 -6.509 1.688 1.00 11.32 H new ATOM 0 HD12 ILE A 36 5.809 -4.962 2.279 1.00 11.32 H new ATOM 0 HD13 ILE A 36 5.182 -6.497 2.926 1.00 11.32 H new ATOM 511 N TYR A 37 -0.110 -5.719 2.863 1.00 64.13 N ATOM 512 CA TYR A 37 -1.468 -5.214 2.784 1.00 42.21 C ATOM 513 C TYR A 37 -1.453 -3.876 3.387 1.00 2.23 C ATOM 514 O TYR A 37 -0.704 -3.616 4.325 1.00 71.33 O ATOM 515 CB TYR A 37 -2.520 -6.037 3.585 1.00 14.21 C ATOM 516 CG TYR A 37 -2.826 -7.297 2.839 1.00 63.23 C ATOM 517 CD1 TYR A 37 -3.853 -7.325 1.859 1.00 62.11 C ATOM 518 CD2 TYR A 37 -2.108 -8.483 3.110 1.00 43.44 C ATOM 519 CE1 TYR A 37 -4.149 -8.516 1.170 1.00 71.24 C ATOM 520 CE2 TYR A 37 -2.399 -9.667 2.413 1.00 31.21 C ATOM 521 CZ TYR A 37 -3.416 -9.689 1.446 1.00 24.30 C ATOM 522 OH TYR A 37 -3.697 -10.880 0.754 1.00 12.02 O ATOM 0 H TYR A 37 0.149 -6.121 3.764 1.00 64.13 H new ATOM 0 HA TYR A 37 -1.758 -5.252 1.734 1.00 42.21 H new ATOM 0 HB2 TYR A 37 -2.137 -6.271 4.578 1.00 14.21 H new ATOM 0 HB3 TYR A 37 -3.429 -5.452 3.724 1.00 14.21 H new ATOM 0 HD1 TYR A 37 -4.411 -6.426 1.641 1.00 62.11 H new ATOM 0 HD2 TYR A 37 -1.330 -8.479 3.859 1.00 43.44 H new ATOM 0 HE1 TYR A 37 -4.936 -8.532 0.431 1.00 71.24 H new ATOM 0 HE2 TYR A 37 -1.837 -10.565 2.622 1.00 31.21 H new ATOM 0 HH TYR A 37 -3.098 -11.589 1.067 1.00 12.02 H new ATOM 532 N VAL A 38 -2.316 -2.977 2.879 1.00 14.31 N ATOM 533 CA VAL A 38 -2.568 -1.720 3.522 1.00 64.45 C ATOM 534 C VAL A 38 -3.148 -2.038 4.885 1.00 4.21 C ATOM 535 O VAL A 38 -3.977 -2.937 5.023 1.00 73.23 O ATOM 536 CB VAL A 38 -3.529 -0.861 2.720 1.00 71.22 C ATOM 537 CG1 VAL A 38 -3.802 0.451 3.458 1.00 4.01 C ATOM 538 CG2 VAL A 38 -2.912 -0.635 1.318 1.00 73.42 C ATOM 0 H VAL A 38 -2.843 -3.120 2.018 1.00 14.31 H new ATOM 0 HA VAL A 38 -1.644 -1.148 3.607 1.00 64.45 H new ATOM 0 HB VAL A 38 -4.493 -1.356 2.601 1.00 71.22 H new ATOM 0 HG11 VAL A 38 -4.492 1.060 2.874 1.00 4.01 H new ATOM 0 HG12 VAL A 38 -4.242 0.236 4.432 1.00 4.01 H new ATOM 0 HG13 VAL A 38 -2.866 0.993 3.594 1.00 4.01 H new ATOM 0 HG21 VAL A 38 -3.584 -0.019 0.720 1.00 73.42 H new ATOM 0 HG22 VAL A 38 -1.951 -0.130 1.420 1.00 73.42 H new ATOM 0 HG23 VAL A 38 -2.766 -1.596 0.826 1.00 73.42 H new ATOM 548 N LYS A 39 -2.634 -1.357 5.922 1.00 22.44 N ATOM 549 CA LYS A 39 -2.932 -1.717 7.278 1.00 21.33 C ATOM 550 C LYS A 39 -3.748 -0.632 7.847 1.00 62.43 C ATOM 551 O LYS A 39 -4.755 -0.873 8.492 1.00 42.23 O ATOM 552 CB LYS A 39 -1.658 -1.798 8.143 1.00 20.03 C ATOM 553 CG LYS A 39 -1.909 -2.213 9.602 1.00 43.23 C ATOM 554 CD LYS A 39 -0.673 -2.070 10.487 1.00 25.41 C ATOM 555 CE LYS A 39 -0.963 -2.357 11.968 1.00 23.03 C ATOM 556 NZ LYS A 39 0.241 -2.122 12.788 1.00 13.21 N ATOM 0 H LYS A 39 -2.011 -0.555 5.825 1.00 22.44 H new ATOM 0 HA LYS A 39 -3.429 -2.687 7.276 1.00 21.33 H new ATOM 0 HB2 LYS A 39 -0.969 -2.510 7.688 1.00 20.03 H new ATOM 0 HB3 LYS A 39 -1.164 -0.826 8.134 1.00 20.03 H new ATOM 0 HG2 LYS A 39 -2.715 -1.605 10.013 1.00 43.23 H new ATOM 0 HG3 LYS A 39 -2.247 -3.249 9.626 1.00 43.23 H new ATOM 0 HD2 LYS A 39 0.101 -2.752 10.135 1.00 25.41 H new ATOM 0 HD3 LYS A 39 -0.277 -1.059 10.389 1.00 25.41 H new ATOM 0 HE2 LYS A 39 -1.776 -1.719 12.315 1.00 23.03 H new ATOM 0 HE3 LYS A 39 -1.294 -3.389 12.086 1.00 23.03 H new ATOM 0 HZ1 LYS A 39 0.026 -2.321 13.786 1.00 13.21 H new ATOM 0 HZ2 LYS A 39 1.007 -2.748 12.467 1.00 13.21 H new ATOM 0 HZ3 LYS A 39 0.540 -1.131 12.690 1.00 13.21 H new ATOM 570 N ALA A 40 -3.276 0.604 7.669 1.00 35.22 N ATOM 571 CA ALA A 40 -3.868 1.707 8.338 1.00 33.13 C ATOM 572 C ALA A 40 -4.069 2.729 7.320 1.00 44.43 C ATOM 573 O ALA A 40 -3.147 3.041 6.561 1.00 55.42 O ATOM 574 CB ALA A 40 -2.971 2.325 9.433 1.00 43.44 C ATOM 0 H ALA A 40 -2.489 0.840 7.065 1.00 35.22 H new ATOM 0 HA ALA A 40 -4.779 1.363 8.827 1.00 33.13 H new ATOM 0 HB1 ALA A 40 -3.491 3.162 9.899 1.00 43.44 H new ATOM 0 HB2 ALA A 40 -2.746 1.571 10.188 1.00 43.44 H new ATOM 0 HB3 ALA A 40 -2.042 2.678 8.986 1.00 43.44 H new ATOM 580 N VAL A 41 -5.277 3.278 7.275 1.00 1.31 N ATOM 581 CA VAL A 41 -5.560 4.377 6.444 1.00 24.15 C ATOM 582 C VAL A 41 -6.003 5.433 7.399 1.00 32.53 C ATOM 583 O VAL A 41 -7.008 5.267 8.104 1.00 61.43 O ATOM 584 CB VAL A 41 -6.687 4.098 5.460 1.00 55.24 C ATOM 585 CG1 VAL A 41 -6.999 5.379 4.664 1.00 43.32 C ATOM 586 CG2 VAL A 41 -6.253 2.923 4.563 1.00 1.03 C ATOM 0 H VAL A 41 -6.071 2.952 7.826 1.00 1.31 H new ATOM 0 HA VAL A 41 -4.694 4.643 5.838 1.00 24.15 H new ATOM 0 HB VAL A 41 -7.608 3.814 5.969 1.00 55.24 H new ATOM 0 HG11 VAL A 41 -7.806 5.181 3.958 1.00 43.32 H new ATOM 0 HG12 VAL A 41 -7.303 6.169 5.351 1.00 43.32 H new ATOM 0 HG13 VAL A 41 -6.109 5.694 4.119 1.00 43.32 H new ATOM 0 HG21 VAL A 41 -7.044 2.701 3.846 1.00 1.03 H new ATOM 0 HG22 VAL A 41 -5.343 3.191 4.027 1.00 1.03 H new ATOM 0 HG23 VAL A 41 -6.065 2.044 5.180 1.00 1.03 H new ATOM 596 N ILE A 42 -5.249 6.540 7.459 1.00 13.24 N ATOM 597 CA ILE A 42 -5.598 7.641 8.330 1.00 44.53 C ATOM 598 C ILE A 42 -6.924 8.199 7.822 1.00 3.20 C ATOM 599 O ILE A 42 -7.121 8.351 6.608 1.00 45.14 O ATOM 600 CB ILE A 42 -4.541 8.728 8.335 1.00 32.24 C ATOM 601 CG1 ILE A 42 -3.275 8.180 9.019 1.00 72.04 C ATOM 602 CG2 ILE A 42 -5.093 10.024 9.011 1.00 21.21 C ATOM 603 CD1 ILE A 42 -2.287 9.265 9.356 1.00 54.42 C ATOM 0 H ILE A 42 -4.400 6.684 6.912 1.00 13.24 H new ATOM 0 HA ILE A 42 -5.674 7.286 9.358 1.00 44.53 H new ATOM 0 HB ILE A 42 -4.275 9.012 7.317 1.00 32.24 H new ATOM 0 HG12 ILE A 42 -3.557 7.654 9.931 1.00 72.04 H new ATOM 0 HG13 ILE A 42 -2.799 7.450 8.364 1.00 72.04 H new ATOM 0 HG21 ILE A 42 -4.321 10.794 9.006 1.00 21.21 H new ATOM 0 HG22 ILE A 42 -5.964 10.379 8.460 1.00 21.21 H new ATOM 0 HG23 ILE A 42 -5.380 9.804 10.039 1.00 21.21 H new ATOM 0 HD11 ILE A 42 -1.413 8.825 9.836 1.00 54.42 H new ATOM 0 HD12 ILE A 42 -1.981 9.775 8.443 1.00 54.42 H new ATOM 0 HD13 ILE A 42 -2.751 9.982 10.034 1.00 54.42 H new ATOM 615 N PRO A 43 -7.860 8.493 8.755 1.00 60.41 N ATOM 616 CA PRO A 43 -9.097 9.170 8.429 1.00 75.32 C ATOM 617 C PRO A 43 -8.745 10.550 7.923 1.00 1.23 C ATOM 618 O PRO A 43 -8.268 11.371 8.715 1.00 23.35 O ATOM 619 CB PRO A 43 -9.892 9.211 9.751 1.00 2.20 C ATOM 620 CG PRO A 43 -8.824 9.058 10.854 1.00 13.41 C ATOM 621 CD PRO A 43 -7.748 8.190 10.192 1.00 40.34 C ATOM 0 HA PRO A 43 -9.690 8.681 7.656 1.00 75.32 H new ATOM 0 HB2 PRO A 43 -10.438 10.148 9.856 1.00 2.20 H new ATOM 0 HB3 PRO A 43 -10.627 8.407 9.797 1.00 2.20 H new ATOM 0 HG2 PRO A 43 -8.426 10.024 11.164 1.00 13.41 H new ATOM 0 HG3 PRO A 43 -9.232 8.581 11.745 1.00 13.41 H new ATOM 0 HD2 PRO A 43 -6.755 8.431 10.572 1.00 40.34 H new ATOM 0 HD3 PRO A 43 -7.916 7.131 10.388 1.00 40.34 H new ATOM 629 N GLN A 44 -8.971 10.798 6.617 1.00 15.32 N ATOM 630 CA GLN A 44 -8.604 12.044 5.948 1.00 24.44 C ATOM 631 C GLN A 44 -7.114 12.090 5.692 1.00 42.32 C ATOM 632 O GLN A 44 -6.557 13.159 5.422 1.00 65.41 O ATOM 633 CB GLN A 44 -9.056 13.349 6.647 1.00 4.14 C ATOM 634 CG GLN A 44 -10.568 13.408 6.892 1.00 70.52 C ATOM 635 CD GLN A 44 -10.865 14.691 7.647 1.00 14.32 C ATOM 636 OE1 GLN A 44 -10.461 14.850 8.804 1.00 32.22 O ATOM 637 NE2 GLN A 44 -11.564 15.629 7.005 1.00 73.42 N ATOM 0 H GLN A 44 -9.420 10.124 5.997 1.00 15.32 H new ATOM 0 HA GLN A 44 -9.163 12.018 5.012 1.00 24.44 H new ATOM 0 HB2 GLN A 44 -8.536 13.442 7.600 1.00 4.14 H new ATOM 0 HB3 GLN A 44 -8.759 14.202 6.037 1.00 4.14 H new ATOM 0 HG2 GLN A 44 -11.109 13.387 5.946 1.00 70.52 H new ATOM 0 HG3 GLN A 44 -10.896 12.542 7.466 1.00 70.52 H new ATOM 0 HE21 GLN A 44 -11.882 15.464 6.050 1.00 73.42 H new ATOM 0 HE22 GLN A 44 -11.780 16.511 7.469 1.00 73.42 H new ATOM 646 N GLY A 45 -6.436 10.913 5.686 1.00 21.13 N ATOM 647 CA GLY A 45 -5.076 10.852 5.205 1.00 71.12 C ATOM 648 C GLY A 45 -5.139 10.874 3.701 1.00 45.35 C ATOM 649 O GLY A 45 -6.215 11.007 3.111 1.00 63.43 O ATOM 0 H GLY A 45 -6.819 10.024 6.006 1.00 21.13 H new ATOM 0 HA2 GLY A 45 -4.497 11.696 5.579 1.00 71.12 H new ATOM 0 HA3 GLY A 45 -4.583 9.946 5.557 1.00 71.12 H new ATOM 653 N ALA A 46 -3.970 10.759 3.048 1.00 3.05 N ATOM 654 CA ALA A 46 -3.872 10.948 1.603 1.00 12.14 C ATOM 655 C ALA A 46 -4.506 9.787 0.866 1.00 3.15 C ATOM 656 O ALA A 46 -4.832 9.890 -0.304 1.00 75.30 O ATOM 657 CB ALA A 46 -2.432 11.075 1.128 1.00 53.44 C ATOM 0 H ALA A 46 -3.085 10.536 3.503 1.00 3.05 H new ATOM 0 HA ALA A 46 -4.399 11.877 1.385 1.00 12.14 H new ATOM 0 HB1 ALA A 46 -2.416 11.214 0.047 1.00 53.44 H new ATOM 0 HB2 ALA A 46 -1.964 11.933 1.611 1.00 53.44 H new ATOM 0 HB3 ALA A 46 -1.883 10.169 1.386 1.00 53.44 H new ATOM 663 N ALA A 47 -4.666 8.652 1.535 1.00 65.15 N ATOM 664 CA ALA A 47 -5.169 7.451 0.864 1.00 41.14 C ATOM 665 C ALA A 47 -6.651 7.576 0.792 1.00 42.42 C ATOM 666 O ALA A 47 -7.247 7.409 -0.256 1.00 43.03 O ATOM 667 CB ALA A 47 -4.844 6.151 1.609 1.00 70.25 C ATOM 0 H ALA A 47 -4.460 8.534 2.527 1.00 65.15 H new ATOM 0 HA ALA A 47 -4.689 7.390 -0.113 1.00 41.14 H new ATOM 0 HB1 ALA A 47 -5.247 5.303 1.055 1.00 70.25 H new ATOM 0 HB2 ALA A 47 -3.763 6.044 1.700 1.00 70.25 H new ATOM 0 HB3 ALA A 47 -5.291 6.180 2.603 1.00 70.25 H new ATOM 673 N GLU A 48 -7.271 7.903 1.939 1.00 62.23 N ATOM 674 CA GLU A 48 -8.717 8.027 2.030 1.00 74.44 C ATOM 675 C GLU A 48 -9.179 9.133 1.110 1.00 61.24 C ATOM 676 O GLU A 48 -10.239 9.029 0.467 1.00 74.21 O ATOM 677 CB GLU A 48 -9.199 8.373 3.457 1.00 4.33 C ATOM 678 CG GLU A 48 -10.724 8.463 3.570 1.00 71.45 C ATOM 679 CD GLU A 48 -11.066 8.784 4.983 1.00 71.41 C ATOM 680 OE1 GLU A 48 -10.874 7.917 5.846 1.00 41.15 O ATOM 681 OE2 GLU A 48 -11.511 9.921 5.241 1.00 22.22 O ATOM 0 H GLU A 48 -6.781 8.085 2.815 1.00 62.23 H new ATOM 0 HA GLU A 48 -9.135 7.060 1.750 1.00 74.44 H new ATOM 0 HB2 GLU A 48 -8.833 7.617 4.151 1.00 4.33 H new ATOM 0 HB3 GLU A 48 -8.761 9.324 3.762 1.00 4.33 H new ATOM 0 HG2 GLU A 48 -11.110 9.232 2.901 1.00 71.45 H new ATOM 0 HG3 GLU A 48 -11.184 7.521 3.272 1.00 71.45 H new ATOM 688 N SER A 49 -8.390 10.216 1.036 1.00 44.05 N ATOM 689 CA SER A 49 -8.770 11.370 0.274 1.00 41.31 C ATOM 690 C SER A 49 -8.692 11.022 -1.202 1.00 71.12 C ATOM 691 O SER A 49 -9.575 11.390 -1.987 1.00 63.12 O ATOM 692 CB SER A 49 -7.868 12.583 0.588 1.00 43.03 C ATOM 693 OG SER A 49 -6.500 12.315 0.329 1.00 11.02 O ATOM 0 H SER A 49 -7.487 10.297 1.503 1.00 44.05 H new ATOM 0 HA SER A 49 -9.788 11.651 0.542 1.00 41.31 H new ATOM 0 HB2 SER A 49 -8.189 13.436 -0.010 1.00 43.03 H new ATOM 0 HB3 SER A 49 -7.990 12.863 1.634 1.00 43.03 H new ATOM 0 HG SER A 49 -5.966 13.109 0.540 1.00 11.02 H new ATOM 699 N ASP A 50 -7.648 10.245 -1.591 1.00 41.21 N ATOM 700 CA ASP A 50 -7.478 9.804 -2.982 1.00 43.21 C ATOM 701 C ASP A 50 -8.616 8.868 -3.300 1.00 24.22 C ATOM 702 O ASP A 50 -9.211 8.922 -4.372 1.00 12.14 O ATOM 703 CB ASP A 50 -6.150 9.040 -3.218 1.00 35.22 C ATOM 704 CG ASP A 50 -5.931 8.872 -4.711 1.00 42.33 C ATOM 705 OD1 ASP A 50 -5.875 9.899 -5.422 1.00 61.54 O ATOM 706 OD2 ASP A 50 -5.796 7.733 -5.169 1.00 13.30 O ATOM 0 H ASP A 50 -6.919 9.917 -0.957 1.00 41.21 H new ATOM 0 HA ASP A 50 -7.463 10.690 -3.617 1.00 43.21 H new ATOM 0 HB2 ASP A 50 -5.318 9.587 -2.775 1.00 35.22 H new ATOM 0 HB3 ASP A 50 -6.185 8.065 -2.731 1.00 35.22 H new ATOM 711 N GLY A 51 -8.978 8.024 -2.315 1.00 42.25 N ATOM 712 CA GLY A 51 -10.171 7.187 -2.400 1.00 64.41 C ATOM 713 C GLY A 51 -9.846 5.887 -3.054 1.00 32.32 C ATOM 714 O GLY A 51 -10.597 4.924 -2.933 1.00 11.03 O ATOM 0 H GLY A 51 -8.451 7.910 -1.449 1.00 42.25 H new ATOM 0 HA2 GLY A 51 -10.571 7.010 -1.402 1.00 64.41 H new ATOM 0 HA3 GLY A 51 -10.946 7.703 -2.967 1.00 64.41 H new ATOM 718 N ARG A 52 -8.730 5.825 -3.789 1.00 60.40 N ATOM 719 CA ARG A 52 -8.410 4.621 -4.534 1.00 12.21 C ATOM 720 C ARG A 52 -7.855 3.618 -3.568 1.00 11.04 C ATOM 721 O ARG A 52 -8.168 2.439 -3.654 1.00 22.20 O ATOM 722 CB ARG A 52 -7.389 4.825 -5.689 1.00 40.12 C ATOM 723 CG ARG A 52 -8.004 5.459 -6.959 1.00 70.21 C ATOM 724 CD ARG A 52 -8.517 6.899 -6.776 1.00 54.41 C ATOM 725 NE ARG A 52 -9.189 7.337 -8.043 1.00 1.35 N ATOM 726 CZ ARG A 52 -9.482 8.667 -8.264 1.00 2.40 C ATOM 727 NH1 ARG A 52 -9.137 9.614 -7.329 1.00 44.21 N ATOM 728 NH2 ARG A 52 -10.118 9.044 -9.411 1.00 21.02 N ATOM 0 H ARG A 52 -8.052 6.581 -3.878 1.00 60.40 H new ATOM 0 HA ARG A 52 -9.333 4.287 -5.009 1.00 12.21 H new ATOM 0 HB2 ARG A 52 -6.576 5.458 -5.335 1.00 40.12 H new ATOM 0 HB3 ARG A 52 -6.952 3.861 -5.950 1.00 40.12 H new ATOM 0 HG2 ARG A 52 -7.255 5.453 -7.751 1.00 70.21 H new ATOM 0 HG3 ARG A 52 -8.830 4.834 -7.297 1.00 70.21 H new ATOM 0 HD2 ARG A 52 -9.217 6.947 -5.942 1.00 54.41 H new ATOM 0 HD3 ARG A 52 -7.689 7.567 -6.537 1.00 54.41 H new ATOM 0 HE ARG A 52 -9.432 6.643 -8.750 1.00 1.35 H new ATOM 0 HH11 ARG A 52 -8.664 9.334 -6.470 1.00 44.21 H new ATOM 0 HH12 ARG A 52 -9.354 10.597 -7.494 1.00 44.21 H new ATOM 0 HH21 ARG A 52 -10.377 8.343 -10.105 1.00 21.02 H new ATOM 0 HH22 ARG A 52 -10.335 10.027 -9.574 1.00 21.02 H new ATOM 742 N ILE A 53 -7.032 4.070 -2.618 1.00 43.43 N ATOM 743 CA ILE A 53 -6.422 3.156 -1.683 1.00 13.40 C ATOM 744 C ILE A 53 -7.274 3.177 -0.436 1.00 44.41 C ATOM 745 O ILE A 53 -7.655 4.244 0.050 1.00 41.24 O ATOM 746 CB ILE A 53 -4.991 3.543 -1.330 1.00 32.02 C ATOM 747 CG1 ILE A 53 -4.174 3.743 -2.627 1.00 43.15 C ATOM 748 CG2 ILE A 53 -4.384 2.462 -0.394 1.00 72.24 C ATOM 749 CD1 ILE A 53 -2.723 4.121 -2.378 1.00 11.31 C ATOM 0 H ILE A 53 -6.783 5.050 -2.487 1.00 43.43 H new ATOM 0 HA ILE A 53 -6.369 2.165 -2.133 1.00 13.40 H new ATOM 0 HB ILE A 53 -4.968 4.490 -0.790 1.00 32.02 H new ATOM 0 HG12 ILE A 53 -4.206 2.824 -3.213 1.00 43.15 H new ATOM 0 HG13 ILE A 53 -4.646 4.521 -3.228 1.00 43.15 H new ATOM 0 HG21 ILE A 53 -3.360 2.735 -0.139 1.00 72.24 H new ATOM 0 HG22 ILE A 53 -4.979 2.394 0.517 1.00 72.24 H new ATOM 0 HG23 ILE A 53 -4.387 1.498 -0.902 1.00 72.24 H new ATOM 0 HD11 ILE A 53 -2.211 4.245 -3.332 1.00 11.31 H new ATOM 0 HD12 ILE A 53 -2.681 5.056 -1.819 1.00 11.31 H new ATOM 0 HD13 ILE A 53 -2.235 3.333 -1.804 1.00 11.31 H new ATOM 761 N HIS A 54 -7.599 1.989 0.085 1.00 21.24 N ATOM 762 CA HIS A 54 -8.320 1.866 1.321 1.00 71.34 C ATOM 763 C HIS A 54 -7.721 0.678 1.992 1.00 23.41 C ATOM 764 O HIS A 54 -6.776 0.065 1.487 1.00 0.31 O ATOM 765 CB HIS A 54 -9.838 1.553 1.153 1.00 32.23 C ATOM 766 CG HIS A 54 -10.665 2.723 0.722 1.00 40.33 C ATOM 767 ND1 HIS A 54 -10.926 3.789 1.550 1.00 10.24 N ATOM 768 CD2 HIS A 54 -11.349 2.929 -0.417 1.00 42.33 C ATOM 769 CE1 HIS A 54 -11.746 4.608 0.923 1.00 4.05 C ATOM 770 NE2 HIS A 54 -12.023 4.108 -0.274 1.00 34.22 N ATOM 0 H HIS A 54 -7.362 1.097 -0.350 1.00 21.24 H new ATOM 0 HA HIS A 54 -8.248 2.812 1.858 1.00 71.34 H new ATOM 0 HB2 HIS A 54 -9.953 0.753 0.422 1.00 32.23 H new ATOM 0 HB3 HIS A 54 -10.226 1.178 2.100 1.00 32.23 H new ATOM 0 HD2 HIS A 54 -11.363 2.283 -1.283 1.00 42.33 H new ATOM 0 HE1 HIS A 54 -12.130 5.536 1.320 1.00 4.05 H new ATOM 0 HE2 HIS A 54 -12.636 4.532 -0.970 1.00 34.22 H new ATOM 779 N LYS A 55 -8.284 0.313 3.155 1.00 21.34 N ATOM 780 CA LYS A 55 -7.934 -0.900 3.837 1.00 40.42 C ATOM 781 C LYS A 55 -8.406 -2.032 2.957 1.00 72.53 C ATOM 782 O LYS A 55 -9.473 -1.936 2.331 1.00 63.10 O ATOM 783 CB LYS A 55 -8.662 -1.015 5.209 1.00 54.33 C ATOM 784 CG LYS A 55 -8.334 -2.271 6.026 1.00 44.14 C ATOM 785 CD LYS A 55 -6.866 -2.358 6.444 1.00 11.21 C ATOM 786 CE LYS A 55 -6.526 -3.596 7.297 1.00 54.13 C ATOM 787 NZ LYS A 55 -7.343 -3.631 8.527 1.00 71.22 N ATOM 0 H LYS A 55 -8.995 0.866 3.633 1.00 21.34 H new ATOM 0 HA LYS A 55 -6.860 -0.923 4.023 1.00 40.42 H new ATOM 0 HB2 LYS A 55 -8.414 -0.138 5.807 1.00 54.33 H new ATOM 0 HB3 LYS A 55 -9.737 -0.987 5.034 1.00 54.33 H new ATOM 0 HG2 LYS A 55 -8.960 -2.288 6.918 1.00 44.14 H new ATOM 0 HG3 LYS A 55 -8.590 -3.154 5.440 1.00 44.14 H new ATOM 0 HD2 LYS A 55 -6.244 -2.365 5.549 1.00 11.21 H new ATOM 0 HD3 LYS A 55 -6.606 -1.461 7.005 1.00 11.21 H new ATOM 0 HE2 LYS A 55 -6.699 -4.502 6.715 1.00 54.13 H new ATOM 0 HE3 LYS A 55 -5.468 -3.582 7.559 1.00 54.13 H new ATOM 0 HZ1 LYS A 55 -6.972 -4.360 9.169 1.00 71.22 H new ATOM 0 HZ2 LYS A 55 -7.304 -2.704 8.996 1.00 71.22 H new ATOM 0 HZ3 LYS A 55 -8.329 -3.854 8.283 1.00 71.22 H new ATOM 801 N GLY A 56 -7.627 -3.124 2.870 1.00 31.33 N ATOM 802 CA GLY A 56 -8.043 -4.262 2.087 1.00 23.52 C ATOM 803 C GLY A 56 -7.149 -4.342 0.908 1.00 11.42 C ATOM 804 O GLY A 56 -6.890 -5.429 0.389 1.00 11.24 O ATOM 0 H GLY A 56 -6.723 -3.227 3.330 1.00 31.33 H new ATOM 0 HA2 GLY A 56 -7.982 -5.176 2.677 1.00 23.52 H new ATOM 0 HA3 GLY A 56 -9.081 -4.153 1.774 1.00 23.52 H new ATOM 808 N ASP A 57 -6.653 -3.180 0.450 1.00 33.12 N ATOM 809 CA ASP A 57 -5.833 -3.122 -0.749 1.00 63.21 C ATOM 810 C ASP A 57 -4.484 -3.700 -0.430 1.00 10.11 C ATOM 811 O ASP A 57 -4.043 -3.679 0.721 1.00 70.12 O ATOM 812 CB ASP A 57 -5.651 -1.682 -1.294 1.00 14.42 C ATOM 813 CG ASP A 57 -6.960 -1.257 -1.941 1.00 43.30 C ATOM 814 OD1 ASP A 57 -7.491 -2.017 -2.791 1.00 2.35 O ATOM 815 OD2 ASP A 57 -7.489 -0.184 -1.605 1.00 62.10 O ATOM 0 H ASP A 57 -6.811 -2.277 0.897 1.00 33.12 H new ATOM 0 HA ASP A 57 -6.344 -3.692 -1.525 1.00 63.21 H new ATOM 0 HB2 ASP A 57 -5.385 -0.999 -0.487 1.00 14.42 H new ATOM 0 HB3 ASP A 57 -4.838 -1.649 -2.020 1.00 14.42 H new ATOM 820 N ARG A 58 -3.815 -4.293 -1.452 1.00 25.30 N ATOM 821 CA ARG A 58 -2.574 -5.007 -1.232 1.00 1.04 C ATOM 822 C ARG A 58 -1.560 -4.367 -2.130 1.00 14.53 C ATOM 823 O ARG A 58 -1.812 -4.181 -3.310 1.00 45.14 O ATOM 824 CB ARG A 58 -2.711 -6.523 -1.589 1.00 14.30 C ATOM 825 CG ARG A 58 -1.571 -7.445 -1.085 1.00 55.44 C ATOM 826 CD ARG A 58 -0.359 -7.558 -2.025 1.00 65.40 C ATOM 827 NE ARG A 58 -0.797 -8.231 -3.301 1.00 20.33 N ATOM 828 CZ ARG A 58 0.132 -8.755 -4.203 1.00 72.31 C ATOM 829 NH1 ARG A 58 1.479 -8.713 -3.930 1.00 32.35 N ATOM 830 NH2 ARG A 58 -0.290 -9.317 -5.368 1.00 72.12 N ATOM 0 H ARG A 58 -4.128 -4.280 -2.423 1.00 25.30 H new ATOM 0 HA ARG A 58 -2.287 -4.954 -0.182 1.00 1.04 H new ATOM 0 HB2 ARG A 58 -3.654 -6.888 -1.182 1.00 14.30 H new ATOM 0 HB3 ARG A 58 -2.775 -6.616 -2.673 1.00 14.30 H new ATOM 0 HG2 ARG A 58 -1.228 -7.077 -0.118 1.00 55.44 H new ATOM 0 HG3 ARG A 58 -1.978 -8.443 -0.920 1.00 55.44 H new ATOM 0 HD2 ARG A 58 0.046 -6.569 -2.239 1.00 65.40 H new ATOM 0 HD3 ARG A 58 0.436 -8.132 -1.549 1.00 65.40 H new ATOM 0 HE ARG A 58 -1.793 -8.305 -3.510 1.00 20.33 H new ATOM 0 HH11 ARG A 58 1.810 -8.296 -3.060 1.00 32.35 H new ATOM 0 HH12 ARG A 58 2.147 -9.099 -4.597 1.00 32.35 H new ATOM 0 HH21 ARG A 58 -1.286 -9.356 -5.584 1.00 72.12 H new ATOM 0 HH22 ARG A 58 0.390 -9.699 -6.026 1.00 72.12 H new ATOM 844 N VAL A 59 -0.397 -3.983 -1.567 1.00 52.11 N ATOM 845 CA VAL A 59 0.614 -3.261 -2.298 1.00 64.45 C ATOM 846 C VAL A 59 1.663 -4.275 -2.681 1.00 60.24 C ATOM 847 O VAL A 59 1.940 -5.208 -1.929 1.00 31.01 O ATOM 848 CB VAL A 59 1.284 -2.168 -1.446 1.00 71.11 C ATOM 849 CG1 VAL A 59 2.170 -1.270 -2.347 1.00 30.32 C ATOM 850 CG2 VAL A 59 0.180 -1.372 -0.710 1.00 4.32 C ATOM 0 H VAL A 59 -0.151 -4.173 -0.595 1.00 52.11 H new ATOM 0 HA VAL A 59 0.157 -2.768 -3.156 1.00 64.45 H new ATOM 0 HB VAL A 59 1.942 -2.605 -0.695 1.00 71.11 H new ATOM 0 HG11 VAL A 59 2.642 -0.498 -1.739 1.00 30.32 H new ATOM 0 HG12 VAL A 59 2.939 -1.878 -2.823 1.00 30.32 H new ATOM 0 HG13 VAL A 59 1.552 -0.802 -3.113 1.00 30.32 H new ATOM 0 HG21 VAL A 59 0.638 -0.593 -0.101 1.00 4.32 H new ATOM 0 HG22 VAL A 59 -0.488 -0.916 -1.441 1.00 4.32 H new ATOM 0 HG23 VAL A 59 -0.389 -2.046 -0.069 1.00 4.32 H new ATOM 860 N LEU A 60 2.258 -4.120 -3.865 1.00 51.52 N ATOM 861 CA LEU A 60 3.331 -5.001 -4.260 1.00 53.22 C ATOM 862 C LEU A 60 4.542 -4.166 -4.471 1.00 61.32 C ATOM 863 O LEU A 60 5.634 -4.530 -4.029 1.00 44.33 O ATOM 864 CB LEU A 60 3.077 -5.850 -5.528 1.00 41.32 C ATOM 865 CG LEU A 60 2.236 -5.213 -6.631 1.00 50.14 C ATOM 866 CD1 LEU A 60 2.559 -5.829 -7.976 1.00 4.54 C ATOM 867 CD2 LEU A 60 0.737 -5.303 -6.343 1.00 1.44 C ATOM 0 H LEU A 60 2.013 -3.403 -4.548 1.00 51.52 H new ATOM 0 HA LEU A 60 3.439 -5.729 -3.456 1.00 53.22 H new ATOM 0 HB2 LEU A 60 4.043 -6.122 -5.953 1.00 41.32 H new ATOM 0 HB3 LEU A 60 2.591 -6.777 -5.223 1.00 41.32 H new ATOM 0 HG LEU A 60 2.495 -4.155 -6.658 1.00 50.14 H new ATOM 0 HD11 LEU A 60 1.948 -5.360 -8.747 1.00 4.54 H new ATOM 0 HD12 LEU A 60 3.613 -5.673 -8.204 1.00 4.54 H new ATOM 0 HD13 LEU A 60 2.348 -6.898 -7.947 1.00 4.54 H new ATOM 0 HD21 LEU A 60 0.182 -4.836 -7.156 1.00 1.44 H new ATOM 0 HD22 LEU A 60 0.445 -6.350 -6.258 1.00 1.44 H new ATOM 0 HD23 LEU A 60 0.514 -4.787 -5.409 1.00 1.44 H new ATOM 879 N ALA A 61 4.389 -3.024 -5.143 1.00 21.52 N ATOM 880 CA ALA A 61 5.557 -2.229 -5.446 1.00 2.44 C ATOM 881 C ALA A 61 5.316 -0.823 -5.035 1.00 11.41 C ATOM 882 O ALA A 61 4.181 -0.384 -4.844 1.00 34.34 O ATOM 883 CB ALA A 61 5.950 -2.228 -6.939 1.00 45.14 C ATOM 0 H ALA A 61 3.500 -2.648 -5.473 1.00 21.52 H new ATOM 0 HA ALA A 61 6.379 -2.685 -4.894 1.00 2.44 H new ATOM 0 HB1 ALA A 61 6.835 -1.609 -7.082 1.00 45.14 H new ATOM 0 HB2 ALA A 61 6.165 -3.247 -7.259 1.00 45.14 H new ATOM 0 HB3 ALA A 61 5.128 -1.827 -7.531 1.00 45.14 H new ATOM 889 N VAL A 62 6.443 -0.120 -4.866 1.00 73.12 N ATOM 890 CA VAL A 62 6.463 1.238 -4.405 1.00 30.30 C ATOM 891 C VAL A 62 7.586 1.881 -5.150 1.00 73.30 C ATOM 892 O VAL A 62 8.724 1.498 -4.999 1.00 51.15 O ATOM 893 CB VAL A 62 6.731 1.382 -2.905 1.00 2.13 C ATOM 894 CG1 VAL A 62 6.731 2.883 -2.529 1.00 13.23 C ATOM 895 CG2 VAL A 62 5.666 0.567 -2.133 1.00 65.03 C ATOM 0 H VAL A 62 7.370 -0.501 -5.054 1.00 73.12 H new ATOM 0 HA VAL A 62 5.486 1.690 -4.576 1.00 30.30 H new ATOM 0 HB VAL A 62 7.710 0.986 -2.635 1.00 2.13 H new ATOM 0 HG11 VAL A 62 6.922 2.991 -1.461 1.00 13.23 H new ATOM 0 HG12 VAL A 62 7.510 3.399 -3.090 1.00 13.23 H new ATOM 0 HG13 VAL A 62 5.761 3.319 -2.770 1.00 13.23 H new ATOM 0 HG21 VAL A 62 5.843 0.659 -1.062 1.00 65.03 H new ATOM 0 HG22 VAL A 62 4.673 0.949 -2.371 1.00 65.03 H new ATOM 0 HG23 VAL A 62 5.730 -0.482 -2.422 1.00 65.03 H new ATOM 905 N ASN A 63 7.257 2.876 -5.987 1.00 70.13 N ATOM 906 CA ASN A 63 8.242 3.628 -6.789 1.00 50.53 C ATOM 907 C ASN A 63 9.076 2.660 -7.630 1.00 73.33 C ATOM 908 O ASN A 63 10.244 2.910 -7.932 1.00 21.13 O ATOM 909 CB ASN A 63 9.180 4.542 -5.929 1.00 71.24 C ATOM 910 CG ASN A 63 9.883 5.571 -6.834 1.00 43.24 C ATOM 911 OD1 ASN A 63 9.240 6.239 -7.646 1.00 73.32 O ATOM 912 ND2 ASN A 63 11.210 5.716 -6.691 1.00 2.20 N ATOM 0 H ASN A 63 6.296 3.186 -6.130 1.00 70.13 H new ATOM 0 HA ASN A 63 7.673 4.295 -7.437 1.00 50.53 H new ATOM 0 HB2 ASN A 63 8.599 5.055 -5.163 1.00 71.24 H new ATOM 0 HB3 ASN A 63 9.921 3.933 -5.412 1.00 71.24 H new ATOM 0 HD21 ASN A 63 11.714 6.394 -7.263 1.00 2.20 H new ATOM 0 HD22 ASN A 63 11.715 5.148 -6.010 1.00 2.20 H new ATOM 919 N GLY A 64 8.472 1.525 -8.037 1.00 1.30 N ATOM 920 CA GLY A 64 9.150 0.578 -8.906 1.00 4.41 C ATOM 921 C GLY A 64 10.087 -0.268 -8.086 1.00 45.32 C ATOM 922 O GLY A 64 10.982 -0.902 -8.628 1.00 72.52 O ATOM 0 H GLY A 64 7.524 1.255 -7.774 1.00 1.30 H new ATOM 0 HA2 GLY A 64 8.421 -0.054 -9.413 1.00 4.41 H new ATOM 0 HA3 GLY A 64 9.704 1.109 -9.680 1.00 4.41 H new ATOM 926 N VAL A 65 9.912 -0.277 -6.757 1.00 33.40 N ATOM 927 CA VAL A 65 10.709 -1.103 -5.909 1.00 11.21 C ATOM 928 C VAL A 65 9.802 -2.190 -5.485 1.00 65.22 C ATOM 929 O VAL A 65 8.719 -1.930 -4.960 1.00 22.55 O ATOM 930 CB VAL A 65 11.238 -0.388 -4.664 1.00 55.15 C ATOM 931 CG1 VAL A 65 12.071 -1.384 -3.811 1.00 3.23 C ATOM 932 CG2 VAL A 65 12.053 0.838 -5.129 1.00 43.53 C ATOM 0 H VAL A 65 9.218 0.288 -6.268 1.00 33.40 H new ATOM 0 HA VAL A 65 11.594 -1.436 -6.451 1.00 11.21 H new ATOM 0 HB VAL A 65 10.428 -0.034 -4.026 1.00 55.15 H new ATOM 0 HG11 VAL A 65 12.449 -0.876 -2.924 1.00 3.23 H new ATOM 0 HG12 VAL A 65 11.441 -2.221 -3.509 1.00 3.23 H new ATOM 0 HG13 VAL A 65 12.909 -1.755 -4.401 1.00 3.23 H new ATOM 0 HG21 VAL A 65 12.443 1.367 -4.259 1.00 43.53 H new ATOM 0 HG22 VAL A 65 12.882 0.508 -5.754 1.00 43.53 H new ATOM 0 HG23 VAL A 65 11.410 1.506 -5.702 1.00 43.53 H new ATOM 942 N SER A 66 10.203 -3.438 -5.736 1.00 71.11 N ATOM 943 CA SER A 66 9.447 -4.559 -5.270 1.00 24.51 C ATOM 944 C SER A 66 9.568 -4.592 -3.776 1.00 64.41 C ATOM 945 O SER A 66 10.639 -4.830 -3.232 1.00 32.23 O ATOM 946 CB SER A 66 9.931 -5.915 -5.823 1.00 24.14 C ATOM 947 OG SER A 66 9.763 -5.960 -7.244 1.00 42.44 O ATOM 0 H SER A 66 11.046 -3.678 -6.258 1.00 71.11 H new ATOM 0 HA SER A 66 8.422 -4.429 -5.617 1.00 24.51 H new ATOM 0 HB2 SER A 66 10.980 -6.066 -5.569 1.00 24.14 H new ATOM 0 HB3 SER A 66 9.371 -6.726 -5.358 1.00 24.14 H new ATOM 0 HG SER A 66 10.075 -6.825 -7.583 1.00 42.44 H new ATOM 953 N LEU A 67 8.448 -4.340 -3.095 1.00 35.31 N ATOM 954 CA LEU A 67 8.399 -4.435 -1.649 1.00 52.45 C ATOM 955 C LEU A 67 8.081 -5.847 -1.302 1.00 32.33 C ATOM 956 O LEU A 67 8.027 -6.204 -0.143 1.00 33.54 O ATOM 957 CB LEU A 67 7.317 -3.534 -1.011 1.00 41.40 C ATOM 958 CG LEU A 67 7.897 -2.251 -0.402 1.00 52.51 C ATOM 959 CD1 LEU A 67 8.772 -2.555 0.829 1.00 40.00 C ATOM 960 CD2 LEU A 67 8.625 -1.374 -1.425 1.00 12.52 C ATOM 0 H LEU A 67 7.566 -4.069 -3.530 1.00 35.31 H new ATOM 0 HA LEU A 67 9.364 -4.106 -1.264 1.00 52.45 H new ATOM 0 HB2 LEU A 67 6.578 -3.270 -1.767 1.00 41.40 H new ATOM 0 HB3 LEU A 67 6.794 -4.095 -0.236 1.00 41.40 H new ATOM 0 HG LEU A 67 7.046 -1.661 -0.062 1.00 52.51 H new ATOM 0 HD11 LEU A 67 9.166 -1.623 1.234 1.00 40.00 H new ATOM 0 HD12 LEU A 67 8.171 -3.055 1.588 1.00 40.00 H new ATOM 0 HD13 LEU A 67 9.599 -3.202 0.537 1.00 40.00 H new ATOM 0 HD21 LEU A 67 9.011 -0.483 -0.931 1.00 12.52 H new ATOM 0 HD22 LEU A 67 9.452 -1.934 -1.862 1.00 12.52 H new ATOM 0 HD23 LEU A 67 7.930 -1.080 -2.212 1.00 12.52 H new ATOM 972 N GLU A 68 7.891 -6.702 -2.318 1.00 3.34 N ATOM 973 CA GLU A 68 7.639 -8.095 -2.085 1.00 24.25 C ATOM 974 C GLU A 68 8.860 -8.674 -1.424 1.00 44.21 C ATOM 975 O GLU A 68 9.984 -8.286 -1.732 1.00 13.00 O ATOM 976 CB GLU A 68 7.408 -8.877 -3.379 1.00 12.53 C ATOM 977 CG GLU A 68 6.237 -8.348 -4.211 1.00 21.31 C ATOM 978 CD GLU A 68 6.174 -9.182 -5.457 1.00 3.50 C ATOM 979 OE1 GLU A 68 5.962 -10.412 -5.342 1.00 35.32 O ATOM 980 OE2 GLU A 68 6.373 -8.629 -6.556 1.00 23.15 O ATOM 0 H GLU A 68 7.911 -6.434 -3.302 1.00 3.34 H new ATOM 0 HA GLU A 68 6.740 -8.175 -1.473 1.00 24.25 H new ATOM 0 HB2 GLU A 68 8.316 -8.844 -3.981 1.00 12.53 H new ATOM 0 HB3 GLU A 68 7.226 -9.923 -3.134 1.00 12.53 H new ATOM 0 HG2 GLU A 68 5.304 -8.418 -3.652 1.00 21.31 H new ATOM 0 HG3 GLU A 68 6.383 -7.296 -4.458 1.00 21.31 H new ATOM 987 N GLY A 69 8.651 -9.600 -0.492 1.00 63.12 N ATOM 988 CA GLY A 69 9.748 -10.250 0.192 1.00 42.10 C ATOM 989 C GLY A 69 10.216 -9.411 1.352 1.00 42.33 C ATOM 990 O GLY A 69 10.746 -9.949 2.325 1.00 33.21 O ATOM 0 H GLY A 69 7.726 -9.913 -0.197 1.00 63.12 H new ATOM 0 HA2 GLY A 69 9.432 -11.231 0.548 1.00 42.10 H new ATOM 0 HA3 GLY A 69 10.572 -10.413 -0.503 1.00 42.10 H new ATOM 994 N ALA A 70 10.079 -8.064 1.254 1.00 34.42 N ATOM 995 CA ALA A 70 10.595 -7.166 2.276 1.00 22.43 C ATOM 996 C ALA A 70 9.808 -7.350 3.543 1.00 4.41 C ATOM 997 O ALA A 70 8.768 -8.001 3.565 1.00 0.44 O ATOM 998 CB ALA A 70 10.532 -5.676 1.885 1.00 40.44 C ATOM 0 H ALA A 70 9.616 -7.594 0.476 1.00 34.42 H new ATOM 0 HA ALA A 70 11.646 -7.425 2.405 1.00 22.43 H new ATOM 0 HB1 ALA A 70 10.934 -5.070 2.697 1.00 40.44 H new ATOM 0 HB2 ALA A 70 11.121 -5.511 0.983 1.00 40.44 H new ATOM 0 HB3 ALA A 70 9.496 -5.392 1.699 1.00 40.44 H new ATOM 1004 N THR A 71 10.325 -6.788 4.645 1.00 1.11 N ATOM 1005 CA THR A 71 9.683 -6.924 5.910 1.00 62.54 C ATOM 1006 C THR A 71 8.575 -5.902 5.969 1.00 62.44 C ATOM 1007 O THR A 71 8.546 -4.938 5.194 1.00 52.14 O ATOM 1008 CB THR A 71 10.642 -6.725 7.089 1.00 54.11 C ATOM 1009 OG1 THR A 71 11.325 -5.476 6.983 1.00 54.33 O ATOM 1010 CG2 THR A 71 11.678 -7.863 7.050 1.00 42.43 C ATOM 0 H THR A 71 11.186 -6.241 4.661 1.00 1.11 H new ATOM 0 HA THR A 71 9.298 -7.940 5.999 1.00 62.54 H new ATOM 0 HB THR A 71 10.078 -6.731 8.022 1.00 54.11 H new ATOM 0 HG1 THR A 71 11.930 -5.368 7.746 1.00 54.33 H new ATOM 0 HG21 THR A 71 12.376 -7.748 7.879 1.00 42.43 H new ATOM 0 HG22 THR A 71 11.168 -8.822 7.135 1.00 42.43 H new ATOM 0 HG23 THR A 71 12.225 -7.825 6.108 1.00 42.43 H new ATOM 1018 N HIS A 72 7.637 -6.100 6.916 1.00 42.34 N ATOM 1019 CA HIS A 72 6.550 -5.166 7.102 1.00 31.11 C ATOM 1020 C HIS A 72 7.145 -3.865 7.567 1.00 75.43 C ATOM 1021 O HIS A 72 6.714 -2.805 7.160 1.00 45.15 O ATOM 1022 CB HIS A 72 5.474 -5.633 8.101 1.00 44.50 C ATOM 1023 CG HIS A 72 5.941 -5.738 9.537 1.00 75.00 C ATOM 1024 ND1 HIS A 72 5.695 -4.759 10.457 1.00 2.14 N ATOM 1025 CD2 HIS A 72 6.616 -6.717 10.167 1.00 63.14 C ATOM 1026 CE1 HIS A 72 6.208 -5.137 11.618 1.00 32.42 C ATOM 1027 NE2 HIS A 72 6.773 -6.325 11.462 1.00 33.02 N ATOM 0 H HIS A 72 7.625 -6.898 7.551 1.00 42.34 H new ATOM 0 HA HIS A 72 6.033 -5.069 6.148 1.00 31.11 H new ATOM 0 HB2 HIS A 72 4.633 -4.941 8.057 1.00 44.50 H new ATOM 0 HB3 HIS A 72 5.102 -6.607 7.783 1.00 44.50 H new ATOM 0 HD2 HIS A 72 6.967 -7.639 9.729 1.00 63.14 H new ATOM 0 HE1 HIS A 72 6.172 -4.572 12.538 1.00 32.42 H new ATOM 0 HE2 HIS A 72 7.247 -6.858 12.191 1.00 33.02 H new ATOM 1036 N LYS A 73 8.217 -3.953 8.417 1.00 30.03 N ATOM 1037 CA LYS A 73 8.968 -2.785 8.858 1.00 45.52 C ATOM 1038 C LYS A 73 9.399 -1.964 7.660 1.00 34.43 C ATOM 1039 O LYS A 73 9.141 -0.767 7.612 1.00 73.43 O ATOM 1040 CB LYS A 73 10.259 -3.172 9.626 1.00 54.15 C ATOM 1041 CG LYS A 73 10.019 -4.075 10.853 1.00 5.22 C ATOM 1042 CD LYS A 73 11.330 -4.602 11.483 1.00 21.30 C ATOM 1043 CE LYS A 73 12.259 -3.501 12.048 1.00 3.23 C ATOM 1044 NZ LYS A 73 11.652 -2.848 13.222 1.00 72.01 N ATOM 0 H LYS A 73 8.562 -4.834 8.797 1.00 30.03 H new ATOM 0 HA LYS A 73 8.306 -2.224 9.517 1.00 45.52 H new ATOM 0 HB2 LYS A 73 10.937 -3.682 8.941 1.00 54.15 H new ATOM 0 HB3 LYS A 73 10.761 -2.261 9.952 1.00 54.15 H new ATOM 0 HG2 LYS A 73 9.461 -3.517 11.604 1.00 5.22 H new ATOM 0 HG3 LYS A 73 9.398 -4.921 10.558 1.00 5.22 H new ATOM 0 HD2 LYS A 73 11.079 -5.295 12.286 1.00 21.30 H new ATOM 0 HD3 LYS A 73 11.877 -5.170 10.731 1.00 21.30 H new ATOM 0 HE2 LYS A 73 13.218 -3.937 12.326 1.00 3.23 H new ATOM 0 HE3 LYS A 73 12.458 -2.757 11.276 1.00 3.23 H new ATOM 0 HZ1 LYS A 73 12.295 -2.114 13.582 1.00 72.01 H new ATOM 0 HZ2 LYS A 73 10.748 -2.413 12.948 1.00 72.01 H new ATOM 0 HZ3 LYS A 73 11.485 -3.556 13.965 1.00 72.01 H new ATOM 1058 N GLN A 74 10.053 -2.607 6.643 1.00 70.24 N ATOM 1059 CA GLN A 74 10.546 -1.871 5.485 1.00 61.15 C ATOM 1060 C GLN A 74 9.382 -1.344 4.701 1.00 12.15 C ATOM 1061 O GLN A 74 9.448 -0.243 4.187 1.00 62.50 O ATOM 1062 CB GLN A 74 11.401 -2.737 4.520 1.00 32.12 C ATOM 1063 CG GLN A 74 12.751 -3.184 5.116 1.00 23.54 C ATOM 1064 CD GLN A 74 13.599 -1.953 5.392 1.00 20.13 C ATOM 1065 OE1 GLN A 74 13.863 -1.616 6.549 1.00 54.10 O ATOM 1066 NE2 GLN A 74 14.043 -1.268 4.331 1.00 2.22 N ATOM 0 H GLN A 74 10.237 -3.610 6.621 1.00 70.24 H new ATOM 0 HA GLN A 74 11.178 -1.074 5.877 1.00 61.15 H new ATOM 0 HB2 GLN A 74 10.829 -3.621 4.236 1.00 32.12 H new ATOM 0 HB3 GLN A 74 11.587 -2.171 3.607 1.00 32.12 H new ATOM 0 HG2 GLN A 74 12.589 -3.745 6.037 1.00 23.54 H new ATOM 0 HG3 GLN A 74 13.267 -3.850 4.424 1.00 23.54 H new ATOM 0 HE21 GLN A 74 13.804 -1.577 3.389 1.00 2.22 H new ATOM 0 HE22 GLN A 74 14.620 -0.438 4.465 1.00 2.22 H new ATOM 1075 N ALA A 75 8.283 -2.122 4.596 1.00 13.30 N ATOM 1076 CA ALA A 75 7.111 -1.690 3.851 1.00 3.13 C ATOM 1077 C ALA A 75 6.615 -0.349 4.382 1.00 42.30 C ATOM 1078 O ALA A 75 6.311 0.557 3.608 1.00 33.03 O ATOM 1079 CB ALA A 75 5.970 -2.703 3.953 1.00 0.21 C ATOM 0 H ALA A 75 8.196 -3.046 5.020 1.00 13.30 H new ATOM 0 HA ALA A 75 7.410 -1.600 2.807 1.00 3.13 H new ATOM 0 HB1 ALA A 75 5.113 -2.344 3.383 1.00 0.21 H new ATOM 0 HB2 ALA A 75 6.297 -3.662 3.551 1.00 0.21 H new ATOM 0 HB3 ALA A 75 5.685 -2.826 4.998 1.00 0.21 H new ATOM 1085 N VAL A 76 6.559 -0.192 5.725 1.00 73.43 N ATOM 1086 CA VAL A 76 6.081 1.061 6.313 1.00 22.25 C ATOM 1087 C VAL A 76 7.149 2.106 6.073 1.00 43.14 C ATOM 1088 O VAL A 76 6.859 3.200 5.592 1.00 43.11 O ATOM 1089 CB VAL A 76 5.813 0.968 7.821 1.00 54.13 C ATOM 1090 CG1 VAL A 76 5.308 2.343 8.344 1.00 31.13 C ATOM 1091 CG2 VAL A 76 4.790 -0.156 8.064 1.00 71.12 C ATOM 0 H VAL A 76 6.834 -0.905 6.401 1.00 73.43 H new ATOM 0 HA VAL A 76 5.129 1.312 5.844 1.00 22.25 H new ATOM 0 HB VAL A 76 6.725 0.728 8.368 1.00 54.13 H new ATOM 0 HG11 VAL A 76 5.118 2.277 9.415 1.00 31.13 H new ATOM 0 HG12 VAL A 76 6.065 3.104 8.156 1.00 31.13 H new ATOM 0 HG13 VAL A 76 4.387 2.613 7.828 1.00 31.13 H new ATOM 0 HG21 VAL A 76 4.586 -0.238 9.132 1.00 71.12 H new ATOM 0 HG22 VAL A 76 3.865 0.073 7.534 1.00 71.12 H new ATOM 0 HG23 VAL A 76 5.193 -1.100 7.698 1.00 71.12 H new ATOM 1101 N CYS A 77 8.420 1.758 6.440 1.00 41.53 N ATOM 1102 CA CYS A 77 9.567 2.743 6.387 1.00 24.41 C ATOM 1103 C CYS A 77 9.637 3.345 4.965 1.00 50.44 C ATOM 1104 O CYS A 77 10.244 4.349 4.728 1.00 4.24 O ATOM 1105 CB CYS A 77 10.911 2.055 6.699 1.00 41.11 C ATOM 1106 SG CYS A 77 12.250 3.233 7.099 1.00 43.43 S ATOM 0 H CYS A 77 8.681 0.828 6.769 1.00 41.53 H new ATOM 0 HA CYS A 77 9.393 3.518 7.134 1.00 24.41 H new ATOM 0 HB2 CYS A 77 10.775 1.371 7.537 1.00 41.11 H new ATOM 0 HB3 CYS A 77 11.211 1.453 5.841 1.00 41.11 H new ATOM 0 HG CYS A 77 13.344 2.577 7.350 1.00 43.43 H new ATOM 1111 N THR A 78 9.190 2.560 3.975 1.00 60.42 N ATOM 1112 CA THR A 78 9.309 2.960 2.591 1.00 3.43 C ATOM 1113 C THR A 78 8.389 4.141 2.387 1.00 54.41 C ATOM 1114 O THR A 78 8.829 5.187 1.988 1.00 73.33 O ATOM 1115 CB THR A 78 8.976 1.855 1.602 1.00 14.11 C ATOM 1116 OG1 THR A 78 9.884 0.765 1.790 1.00 1.24 O ATOM 1117 CG2 THR A 78 9.139 2.404 0.163 1.00 45.10 C ATOM 0 H THR A 78 8.747 1.652 4.119 1.00 60.42 H new ATOM 0 HA THR A 78 10.351 3.214 2.395 1.00 3.43 H new ATOM 0 HB THR A 78 7.953 1.514 1.759 1.00 14.11 H new ATOM 0 HG1 THR A 78 9.800 0.423 2.705 1.00 1.24 H new ATOM 0 HG21 THR A 78 8.902 1.619 -0.555 1.00 45.10 H new ATOM 0 HG22 THR A 78 8.463 3.246 0.016 1.00 45.10 H new ATOM 0 HG23 THR A 78 10.167 2.734 0.014 1.00 45.10 H new ATOM 1125 N LEU A 79 7.089 3.978 2.723 1.00 34.23 N ATOM 1126 CA LEU A 79 6.087 5.039 2.561 1.00 63.01 C ATOM 1127 C LEU A 79 6.550 6.263 3.327 1.00 24.51 C ATOM 1128 O LEU A 79 6.696 7.352 2.786 1.00 73.53 O ATOM 1129 CB LEU A 79 4.710 4.605 3.123 1.00 21.12 C ATOM 1130 CG LEU A 79 4.136 3.338 2.434 1.00 44.21 C ATOM 1131 CD1 LEU A 79 2.828 2.858 3.088 1.00 5.24 C ATOM 1132 CD2 LEU A 79 4.010 3.484 0.898 1.00 12.53 C ATOM 0 H LEU A 79 6.714 3.112 3.110 1.00 34.23 H new ATOM 0 HA LEU A 79 5.979 5.252 1.497 1.00 63.01 H new ATOM 0 HB2 LEU A 79 4.805 4.417 4.192 1.00 21.12 H new ATOM 0 HB3 LEU A 79 4.003 5.426 3.005 1.00 21.12 H new ATOM 0 HG LEU A 79 4.873 2.552 2.596 1.00 44.21 H new ATOM 0 HD11 LEU A 79 2.467 1.970 2.570 1.00 5.24 H new ATOM 0 HD12 LEU A 79 3.012 2.618 4.135 1.00 5.24 H new ATOM 0 HD13 LEU A 79 2.078 3.646 3.022 1.00 5.24 H new ATOM 0 HD21 LEU A 79 3.603 2.565 0.477 1.00 12.53 H new ATOM 0 HD22 LEU A 79 3.345 4.315 0.665 1.00 12.53 H new ATOM 0 HD23 LEU A 79 4.994 3.675 0.469 1.00 12.53 H new ATOM 1144 N ARG A 80 6.802 6.063 4.612 1.00 15.41 N ATOM 1145 CA ARG A 80 7.355 7.081 5.503 1.00 31.33 C ATOM 1146 C ARG A 80 8.571 7.831 4.894 1.00 44.11 C ATOM 1147 O ARG A 80 8.824 8.979 5.264 1.00 32.41 O ATOM 1148 CB ARG A 80 7.768 6.448 6.854 1.00 61.43 C ATOM 1149 CG ARG A 80 8.163 7.449 7.944 1.00 34.14 C ATOM 1150 CD ARG A 80 8.235 6.814 9.353 1.00 53.20 C ATOM 1151 NE ARG A 80 6.867 6.271 9.710 1.00 30.23 N ATOM 1152 CZ ARG A 80 5.830 7.111 10.097 1.00 61.10 C ATOM 1153 NH1 ARG A 80 6.024 8.461 10.178 1.00 3.14 N ATOM 1154 NH2 ARG A 80 4.603 6.593 10.405 1.00 23.31 N ATOM 0 H ARG A 80 6.626 5.172 5.077 1.00 15.41 H new ATOM 0 HA ARG A 80 6.564 7.815 5.655 1.00 31.33 H new ATOM 0 HB2 ARG A 80 6.941 5.841 7.222 1.00 61.43 H new ATOM 0 HB3 ARG A 80 8.606 5.773 6.681 1.00 61.43 H new ATOM 0 HG2 ARG A 80 9.132 7.882 7.697 1.00 34.14 H new ATOM 0 HG3 ARG A 80 7.442 8.267 7.957 1.00 34.14 H new ATOM 0 HD2 ARG A 80 8.975 6.014 9.370 1.00 53.20 H new ATOM 0 HD3 ARG A 80 8.550 7.556 10.086 1.00 53.20 H new ATOM 0 HE ARG A 80 6.703 5.265 9.665 1.00 30.23 H new ATOM 0 HH11 ARG A 80 6.936 8.860 9.953 1.00 3.14 H new ATOM 0 HH12 ARG A 80 5.257 9.070 10.463 1.00 3.14 H new ATOM 0 HH21 ARG A 80 4.446 5.587 10.351 1.00 23.31 H new ATOM 0 HH22 ARG A 80 3.844 7.213 10.689 1.00 23.31 H new ATOM 1168 N ASN A 81 9.332 7.226 3.947 1.00 63.21 N ATOM 1169 CA ASN A 81 10.506 7.918 3.391 1.00 72.35 C ATOM 1170 C ASN A 81 10.309 8.168 1.911 1.00 30.42 C ATOM 1171 O ASN A 81 11.250 8.592 1.228 1.00 15.14 O ATOM 1172 CB ASN A 81 11.834 7.139 3.570 1.00 75.24 C ATOM 1173 CG ASN A 81 12.247 7.258 5.032 1.00 52.42 C ATOM 1174 OD1 ASN A 81 12.933 8.215 5.420 1.00 22.31 O ATOM 1175 ND2 ASN A 81 11.828 6.309 5.863 1.00 24.41 N ATOM 0 H ASN A 81 9.158 6.295 3.568 1.00 63.21 H new ATOM 0 HA ASN A 81 10.588 8.850 3.950 1.00 72.35 H new ATOM 0 HB2 ASN A 81 11.704 6.093 3.293 1.00 75.24 H new ATOM 0 HB3 ASN A 81 12.608 7.547 2.920 1.00 75.24 H new ATOM 0 HD21 ASN A 81 12.070 6.355 6.853 1.00 24.41 H new ATOM 0 HD22 ASN A 81 11.265 5.535 5.511 1.00 24.41 H new ATOM 1182 N THR A 82 9.094 7.958 1.368 1.00 10.45 N ATOM 1183 CA THR A 82 8.855 8.312 -0.025 1.00 21.23 C ATOM 1184 C THR A 82 8.489 9.791 -0.074 1.00 34.34 C ATOM 1185 O THR A 82 8.373 10.461 0.967 1.00 34.10 O ATOM 1186 CB THR A 82 7.804 7.474 -0.754 1.00 53.52 C ATOM 1187 OG1 THR A 82 6.672 7.242 0.066 1.00 74.43 O ATOM 1188 CG2 THR A 82 8.441 6.124 -1.142 1.00 64.33 C ATOM 0 H THR A 82 8.295 7.559 1.860 1.00 10.45 H new ATOM 0 HA THR A 82 9.777 8.096 -0.565 1.00 21.23 H new ATOM 0 HB THR A 82 7.472 8.015 -1.640 1.00 53.52 H new ATOM 0 HG1 THR A 82 6.882 7.490 0.991 1.00 74.43 H new ATOM 0 HG21 THR A 82 7.706 5.511 -1.664 1.00 64.33 H new ATOM 0 HG22 THR A 82 9.296 6.299 -1.795 1.00 64.33 H new ATOM 0 HG23 THR A 82 8.772 5.606 -0.242 1.00 64.33 H new ATOM 1196 N GLY A 83 8.368 10.324 -1.308 1.00 62.12 N ATOM 1197 CA GLY A 83 8.189 11.741 -1.521 1.00 53.15 C ATOM 1198 C GLY A 83 6.742 12.091 -1.401 1.00 4.13 C ATOM 1199 O GLY A 83 5.968 11.425 -0.705 1.00 1.30 O ATOM 0 H GLY A 83 8.394 9.773 -2.166 1.00 62.12 H new ATOM 0 HA2 GLY A 83 8.771 12.304 -0.791 1.00 53.15 H new ATOM 0 HA3 GLY A 83 8.560 12.020 -2.508 1.00 53.15 H new ATOM 1203 N GLN A 84 6.360 13.204 -2.061 1.00 32.05 N ATOM 1204 CA GLN A 84 5.051 13.787 -1.903 1.00 14.14 C ATOM 1205 C GLN A 84 4.091 13.028 -2.754 1.00 62.04 C ATOM 1206 O GLN A 84 2.921 12.901 -2.397 1.00 14.40 O ATOM 1207 CB GLN A 84 4.996 15.279 -2.317 1.00 24.11 C ATOM 1208 CG GLN A 84 5.675 15.588 -3.659 1.00 41.45 C ATOM 1209 CD GLN A 84 5.369 17.030 -4.010 1.00 34.21 C ATOM 1210 OE1 GLN A 84 4.214 17.380 -4.269 1.00 43.45 O ATOM 1211 NE2 GLN A 84 6.389 17.888 -4.025 1.00 62.13 N ATOM 0 H GLN A 84 6.963 13.708 -2.712 1.00 32.05 H new ATOM 0 HA GLN A 84 4.796 13.732 -0.845 1.00 14.14 H new ATOM 0 HB2 GLN A 84 3.953 15.591 -2.371 1.00 24.11 H new ATOM 0 HB3 GLN A 84 5.468 15.878 -1.538 1.00 24.11 H new ATOM 0 HG2 GLN A 84 6.751 15.432 -3.588 1.00 41.45 H new ATOM 0 HG3 GLN A 84 5.307 14.919 -4.437 1.00 41.45 H new ATOM 0 HE21 GLN A 84 7.331 17.564 -3.806 1.00 62.13 H new ATOM 0 HE22 GLN A 84 6.227 18.868 -4.256 1.00 62.13 H new ATOM 1220 N VAL A 85 4.571 12.500 -3.903 1.00 12.53 N ATOM 1221 CA VAL A 85 3.746 11.679 -4.731 1.00 14.20 C ATOM 1222 C VAL A 85 4.494 10.402 -4.825 1.00 14.12 C ATOM 1223 O VAL A 85 5.716 10.412 -5.020 1.00 50.24 O ATOM 1224 CB VAL A 85 3.498 12.218 -6.145 1.00 64.52 C ATOM 1225 CG1 VAL A 85 2.445 11.315 -6.844 1.00 72.33 C ATOM 1226 CG2 VAL A 85 3.033 13.688 -6.039 1.00 43.21 C ATOM 0 H VAL A 85 5.519 12.642 -4.251 1.00 12.53 H new ATOM 0 HA VAL A 85 2.751 11.609 -4.292 1.00 14.20 H new ATOM 0 HB VAL A 85 4.407 12.198 -6.746 1.00 64.52 H new ATOM 0 HG11 VAL A 85 2.258 11.687 -7.852 1.00 72.33 H new ATOM 0 HG12 VAL A 85 2.820 10.293 -6.898 1.00 72.33 H new ATOM 0 HG13 VAL A 85 1.516 11.331 -6.274 1.00 72.33 H new ATOM 0 HG21 VAL A 85 2.853 14.085 -7.038 1.00 43.21 H new ATOM 0 HG22 VAL A 85 2.113 13.737 -5.457 1.00 43.21 H new ATOM 0 HG23 VAL A 85 3.805 14.279 -5.547 1.00 43.21 H new ATOM 1236 N VAL A 86 3.814 9.273 -4.643 1.00 44.33 N ATOM 1237 CA VAL A 86 4.464 8.002 -4.672 1.00 43.43 C ATOM 1238 C VAL A 86 3.754 7.216 -5.723 1.00 24.01 C ATOM 1239 O VAL A 86 2.540 7.317 -5.856 1.00 1.41 O ATOM 1240 CB VAL A 86 4.348 7.262 -3.351 1.00 2.34 C ATOM 1241 CG1 VAL A 86 5.348 6.083 -3.344 1.00 35.51 C ATOM 1242 CG2 VAL A 86 4.603 8.273 -2.217 1.00 64.34 C ATOM 0 H VAL A 86 2.809 9.231 -4.474 1.00 44.33 H new ATOM 0 HA VAL A 86 5.528 8.133 -4.868 1.00 43.43 H new ATOM 0 HB VAL A 86 3.355 6.836 -3.207 1.00 2.34 H new ATOM 0 HG11 VAL A 86 5.271 5.546 -2.398 1.00 35.51 H new ATOM 0 HG12 VAL A 86 5.117 5.405 -4.166 1.00 35.51 H new ATOM 0 HG13 VAL A 86 6.362 6.465 -3.463 1.00 35.51 H new ATOM 0 HG21 VAL A 86 4.526 7.767 -1.255 1.00 64.34 H new ATOM 0 HG22 VAL A 86 5.601 8.697 -2.325 1.00 64.34 H new ATOM 0 HG23 VAL A 86 3.863 9.071 -2.268 1.00 64.34 H new ATOM 1252 N HIS A 87 4.494 6.416 -6.496 1.00 32.24 N ATOM 1253 CA HIS A 87 3.869 5.576 -7.484 1.00 32.22 C ATOM 1254 C HIS A 87 3.713 4.257 -6.802 1.00 53.13 C ATOM 1255 O HIS A 87 4.696 3.664 -6.392 1.00 23.44 O ATOM 1256 CB HIS A 87 4.731 5.376 -8.752 1.00 50.25 C ATOM 1257 CG HIS A 87 3.965 4.819 -9.922 1.00 0.35 C ATOM 1258 ND1 HIS A 87 3.204 5.605 -10.748 1.00 43.32 N ATOM 1259 CD2 HIS A 87 3.870 3.562 -10.379 1.00 22.35 C ATOM 1260 CE1 HIS A 87 2.659 4.833 -11.671 1.00 72.41 C ATOM 1261 NE2 HIS A 87 3.054 3.595 -11.471 1.00 24.41 N ATOM 0 H HIS A 87 5.510 6.342 -6.448 1.00 32.24 H new ATOM 0 HA HIS A 87 2.937 6.027 -7.824 1.00 32.22 H new ATOM 0 HB2 HIS A 87 5.169 6.332 -9.038 1.00 50.25 H new ATOM 0 HB3 HIS A 87 5.557 4.705 -8.517 1.00 50.25 H new ATOM 0 HD2 HIS A 87 4.349 2.689 -9.961 1.00 22.35 H new ATOM 0 HE1 HIS A 87 1.999 5.164 -12.459 1.00 72.41 H new ATOM 0 HE2 HIS A 87 2.793 2.790 -12.040 1.00 24.41 H new ATOM 1270 N LEU A 88 2.476 3.819 -6.593 1.00 20.11 N ATOM 1271 CA LEU A 88 2.227 2.614 -5.836 1.00 42.34 C ATOM 1272 C LEU A 88 1.593 1.660 -6.769 1.00 62.20 C ATOM 1273 O LEU A 88 0.778 2.052 -7.607 1.00 22.45 O ATOM 1274 CB LEU A 88 1.266 2.829 -4.637 1.00 51.12 C ATOM 1275 CG LEU A 88 1.816 3.828 -3.595 1.00 15.42 C ATOM 1276 CD1 LEU A 88 0.741 4.298 -2.618 1.00 24.43 C ATOM 1277 CD2 LEU A 88 3.070 3.306 -2.878 1.00 50.15 C ATOM 0 H LEU A 88 1.637 4.284 -6.939 1.00 20.11 H new ATOM 0 HA LEU A 88 3.172 2.261 -5.423 1.00 42.34 H new ATOM 0 HB2 LEU A 88 0.307 3.190 -5.008 1.00 51.12 H new ATOM 0 HB3 LEU A 88 1.080 1.871 -4.151 1.00 51.12 H new ATOM 0 HG LEU A 88 2.132 4.708 -4.155 1.00 15.42 H new ATOM 0 HD11 LEU A 88 1.178 4.998 -1.906 1.00 24.43 H new ATOM 0 HD12 LEU A 88 -0.060 4.792 -3.168 1.00 24.43 H new ATOM 0 HD13 LEU A 88 0.337 3.440 -2.081 1.00 24.43 H new ATOM 0 HD21 LEU A 88 3.413 4.049 -2.158 1.00 50.15 H new ATOM 0 HD22 LEU A 88 2.832 2.378 -2.358 1.00 50.15 H new ATOM 0 HD23 LEU A 88 3.856 3.120 -3.609 1.00 50.15 H new ATOM 1289 N LEU A 89 1.976 0.385 -6.667 1.00 53.34 N ATOM 1290 CA LEU A 89 1.412 -0.625 -7.508 1.00 72.22 C ATOM 1291 C LEU A 89 0.664 -1.518 -6.591 1.00 34.12 C ATOM 1292 O LEU A 89 1.224 -1.987 -5.579 1.00 42.21 O ATOM 1293 CB LEU A 89 2.490 -1.456 -8.231 1.00 72.11 C ATOM 1294 CG LEU A 89 1.963 -2.444 -9.287 1.00 33.43 C ATOM 1295 CD1 LEU A 89 1.075 -1.778 -10.328 1.00 74.34 C ATOM 1296 CD2 LEU A 89 3.109 -3.184 -9.962 1.00 30.31 C ATOM 0 H LEU A 89 2.675 0.047 -6.005 1.00 53.34 H new ATOM 0 HA LEU A 89 0.794 -0.169 -8.281 1.00 72.22 H new ATOM 0 HB2 LEU A 89 3.188 -0.773 -8.714 1.00 72.11 H new ATOM 0 HB3 LEU A 89 3.055 -2.015 -7.485 1.00 72.11 H new ATOM 0 HG LEU A 89 1.343 -3.163 -8.752 1.00 33.43 H new ATOM 0 HD11 LEU A 89 0.734 -2.524 -11.046 1.00 74.34 H new ATOM 0 HD12 LEU A 89 0.213 -1.327 -9.836 1.00 74.34 H new ATOM 0 HD13 LEU A 89 1.641 -1.006 -10.849 1.00 74.34 H new ATOM 0 HD21 LEU A 89 2.709 -3.876 -10.703 1.00 30.31 H new ATOM 0 HD22 LEU A 89 3.767 -2.466 -10.453 1.00 30.31 H new ATOM 0 HD23 LEU A 89 3.673 -3.741 -9.214 1.00 30.31 H new ATOM 1308 N LEU A 90 -0.624 -1.741 -6.883 1.00 21.04 N ATOM 1309 CA LEU A 90 -1.446 -2.497 -5.997 1.00 41.30 C ATOM 1310 C LEU A 90 -2.163 -3.502 -6.813 1.00 42.43 C ATOM 1311 O LEU A 90 -2.343 -3.335 -8.020 1.00 70.03 O ATOM 1312 CB LEU A 90 -2.501 -1.664 -5.223 1.00 61.21 C ATOM 1313 CG LEU A 90 -1.892 -0.541 -4.346 1.00 42.13 C ATOM 1314 CD1 LEU A 90 -1.742 0.795 -5.095 1.00 33.04 C ATOM 1315 CD2 LEU A 90 -2.628 -0.377 -3.016 1.00 65.31 C ATOM 0 H LEU A 90 -1.094 -1.403 -7.723 1.00 21.04 H new ATOM 0 HA LEU A 90 -0.789 -2.931 -5.244 1.00 41.30 H new ATOM 0 HB2 LEU A 90 -3.194 -1.219 -5.937 1.00 61.21 H new ATOM 0 HB3 LEU A 90 -3.083 -2.332 -4.588 1.00 61.21 H new ATOM 0 HG LEU A 90 -0.880 -0.868 -4.108 1.00 42.13 H new ATOM 0 HD11 LEU A 90 -1.310 1.540 -4.427 1.00 33.04 H new ATOM 0 HD12 LEU A 90 -1.088 0.658 -5.956 1.00 33.04 H new ATOM 0 HD13 LEU A 90 -2.721 1.135 -5.433 1.00 33.04 H new ATOM 0 HD21 LEU A 90 -2.163 0.422 -2.439 1.00 65.31 H new ATOM 0 HD22 LEU A 90 -3.672 -0.127 -3.206 1.00 65.31 H new ATOM 0 HD23 LEU A 90 -2.575 -1.309 -2.454 1.00 65.31 H new ATOM 1327 N GLU A 91 -2.581 -4.592 -6.165 1.00 0.22 N ATOM 1328 CA GLU A 91 -3.363 -5.584 -6.809 1.00 30.21 C ATOM 1329 C GLU A 91 -4.540 -5.722 -5.934 1.00 53.40 C ATOM 1330 O GLU A 91 -4.404 -5.754 -4.704 1.00 3.51 O ATOM 1331 CB GLU A 91 -2.687 -6.979 -6.893 1.00 2.03 C ATOM 1332 CG GLU A 91 -3.564 -8.037 -7.605 1.00 2.41 C ATOM 1333 CD GLU A 91 -2.951 -9.386 -7.406 1.00 33.43 C ATOM 1334 OE1 GLU A 91 -2.790 -9.788 -6.236 1.00 4.42 O ATOM 1335 OE2 GLU A 91 -2.649 -10.066 -8.387 1.00 61.22 O ATOM 0 H GLU A 91 -2.375 -4.787 -5.185 1.00 0.22 H new ATOM 0 HA GLU A 91 -3.558 -5.281 -7.838 1.00 30.21 H new ATOM 0 HB2 GLU A 91 -1.739 -6.885 -7.423 1.00 2.03 H new ATOM 0 HB3 GLU A 91 -2.456 -7.325 -5.886 1.00 2.03 H new ATOM 0 HG2 GLU A 91 -4.577 -8.020 -7.203 1.00 2.41 H new ATOM 0 HG3 GLU A 91 -3.640 -7.810 -8.668 1.00 2.41 H new