USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 551 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 45 SER OG : rot 54:sc= 2.32 USER MOD Set 1.2: A 58 THR OG1 : rot 125:sc= 1.22 USER MOD Set 2.1: A 42 HIS : no HD1:sc= 0.162 K(o=-0.12,f=-9.3!) USER MOD Set 2.2: A 46 HIS : no HD1:sc= -0.236 K(o=-0.12,f=-1!) USER MOD Set 2.3: A 56 HIS : no HD1:sc= -0.0422 X(o=-0.12,f=-0.094) USER MOD Single : A 12 GLN : amide:sc= 2.69 K(o=2.7,f=-9.3!) USER MOD Single : A 15 LYS NZ :NH3+ -145:sc= 0.497 (180deg=0.171) USER MOD Single : A 17 THR OG1 : rot -42:sc= 1.24 USER MOD Single : A 22 SER OG : rot -170:sc= -0.021 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.011 USER MOD Single : A 32 THR OG1 : rot 71:sc= -0.0146 USER MOD Single : A 36 THR OG1 : rot 59:sc= 0.56 USER MOD Single : A 37 SER OG : rot 180:sc= 0.138 USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0.806 (180deg=0.805) USER MOD Single : A 51 SER OG : rot 180:sc= 0.178 USER MOD Single : A 53 GLN : amide:sc= 1.31 K(o=1.3,f=-1.3) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -3.05 K(o=-3,f=-5.3!) USER MOD Single : A 64 ASN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD Single : A 69 GLN : amide:sc= -0.745 X(o=-0.75,f=-0.9) USER MOD Single : A 70 THR OG1 : rot -21:sc= 0.566 USER MOD Single : A 71 SER OG : rot 180:sc= -0.126 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 0.811 (180deg=0.39) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 80 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0448) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.018 2.511 -7.605 1.00 0.00 N ATOM 62 CA GLY A 5 11.841 1.659 -7.739 1.00 0.00 C ATOM 63 C GLY A 5 11.821 0.574 -6.666 1.00 0.00 C ATOM 64 O GLY A 5 10.822 0.400 -5.967 1.00 0.00 O ATOM 0 HA2 GLY A 5 10.939 2.266 -7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.833 1.198 -8.727 1.00 0.00 H new ATOM 68 N ALA A 6 12.927 -0.168 -6.564 1.00 0.00 N ATOM 69 CA ALA A 6 13.136 -1.146 -5.510 1.00 0.00 C ATOM 70 C ALA A 6 13.650 -0.352 -4.313 1.00 0.00 C ATOM 71 O ALA A 6 14.613 0.402 -4.445 1.00 0.00 O ATOM 72 CB ALA A 6 14.139 -2.210 -5.960 1.00 0.00 C ATOM 0 H ALA A 6 13.705 -0.101 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 6 12.222 -1.683 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.284 -2.935 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.757 -2.719 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.091 -1.735 -6.197 1.00 0.00 H new ATOM 78 N CYS A 7 12.992 -0.493 -3.166 1.00 0.00 N ATOM 79 CA CYS A 7 13.245 0.290 -1.966 1.00 0.00 C ATOM 80 C CYS A 7 13.148 -0.608 -0.743 1.00 0.00 C ATOM 81 O CYS A 7 12.708 -1.752 -0.824 1.00 0.00 O ATOM 82 CB CYS A 7 12.213 1.426 -1.909 1.00 0.00 C ATOM 83 SG CYS A 7 10.503 0.865 -2.093 1.00 0.00 S ATOM 0 H CYS A 7 12.245 -1.177 -3.045 1.00 0.00 H new ATOM 0 HA CYS A 7 14.247 0.719 -1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.314 1.949 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.436 2.147 -2.695 1.00 0.00 H new ATOM 88 N GLU A 8 13.580 -0.076 0.396 1.00 0.00 N ATOM 89 CA GLU A 8 13.519 -0.717 1.685 1.00 0.00 C ATOM 90 C GLU A 8 12.382 -0.072 2.483 1.00 0.00 C ATOM 91 O GLU A 8 11.598 -0.791 3.096 1.00 0.00 O ATOM 92 CB GLU A 8 14.864 -0.535 2.389 1.00 0.00 C ATOM 93 CG GLU A 8 16.067 -1.069 1.599 1.00 0.00 C ATOM 94 CD GLU A 8 17.365 -0.521 2.183 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.662 0.658 1.883 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.017 -1.265 2.948 1.00 0.00 O ATOM 0 H GLU A 8 13.998 0.853 0.437 1.00 0.00 H new ATOM 0 HA GLU A 8 13.324 -1.785 1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.016 0.526 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.826 -1.038 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.077 -2.159 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.981 -0.781 0.551 1.00 0.00 H new ATOM 103 N ARG A 9 12.287 1.268 2.484 1.00 0.00 N ATOM 104 CA ARG A 9 11.257 2.006 3.226 1.00 0.00 C ATOM 105 C ARG A 9 10.680 3.152 2.390 1.00 0.00 C ATOM 106 O ARG A 9 11.401 3.763 1.601 1.00 0.00 O ATOM 107 CB ARG A 9 11.787 2.589 4.551 1.00 0.00 C ATOM 108 CG ARG A 9 12.601 1.616 5.411 1.00 0.00 C ATOM 109 CD ARG A 9 14.098 1.817 5.158 1.00 0.00 C ATOM 110 NE ARG A 9 14.876 0.663 5.621 1.00 0.00 N ATOM 111 CZ ARG A 9 16.162 0.453 5.307 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.863 1.397 4.670 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.733 -0.718 5.604 1.00 0.00 N ATOM 0 H ARG A 9 12.927 1.871 1.967 1.00 0.00 H new ATOM 0 HA ARG A 9 10.477 1.278 3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.407 3.456 4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.940 2.946 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.378 1.776 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.319 0.589 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.272 1.972 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.438 2.717 5.670 1.00 0.00 H new ATOM 0 HE ARG A 9 14.410 -0.021 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.419 2.281 4.421 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.841 1.233 4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.191 -1.447 6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.711 -0.883 5.367 1.00 0.00 H new ATOM 127 N ASP A 10 9.397 3.466 2.622 1.00 0.00 N ATOM 128 CA ASP A 10 8.611 4.504 1.953 1.00 0.00 C ATOM 129 C ASP A 10 9.421 5.769 1.674 1.00 0.00 C ATOM 130 O ASP A 10 9.449 6.267 0.553 1.00 0.00 O ATOM 131 CB ASP A 10 7.428 4.920 2.838 1.00 0.00 C ATOM 132 CG ASP A 10 6.390 3.857 3.139 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.394 2.760 2.542 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.557 4.160 4.015 1.00 0.00 O ATOM 0 H ASP A 10 8.850 2.969 3.326 1.00 0.00 H new ATOM 0 HA ASP A 10 8.282 4.071 1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.825 5.285 3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.925 5.760 2.359 1.00 0.00 H new ATOM 139 N LEU A 11 10.055 6.294 2.726 1.00 0.00 N ATOM 140 CA LEU A 11 10.828 7.528 2.710 1.00 0.00 C ATOM 141 C LEU A 11 11.829 7.616 1.555 1.00 0.00 C ATOM 142 O LEU A 11 12.133 8.715 1.097 1.00 0.00 O ATOM 143 CB LEU A 11 11.491 7.742 4.079 1.00 0.00 C ATOM 144 CG LEU A 11 12.519 6.655 4.450 1.00 0.00 C ATOM 145 CD1 LEU A 11 13.953 7.122 4.171 1.00 0.00 C ATOM 146 CD2 LEU A 11 12.390 6.291 5.933 1.00 0.00 C ATOM 0 H LEU A 11 10.040 5.851 3.644 1.00 0.00 H new ATOM 0 HA LEU A 11 10.131 8.345 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.985 8.713 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.717 7.774 4.846 1.00 0.00 H new ATOM 0 HG LEU A 11 12.311 5.781 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.653 6.332 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.061 7.352 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.166 8.014 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.121 5.522 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.571 7.177 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.386 5.915 6.129 1.00 0.00 H new ATOM 158 N GLN A 12 12.344 6.477 1.085 1.00 0.00 N ATOM 159 CA GLN A 12 13.310 6.425 0.002 1.00 0.00 C ATOM 160 C GLN A 12 12.674 6.661 -1.374 1.00 0.00 C ATOM 161 O GLN A 12 13.400 6.703 -2.364 1.00 0.00 O ATOM 162 CB GLN A 12 14.004 5.060 0.035 1.00 0.00 C ATOM 163 CG GLN A 12 14.596 4.755 1.417 1.00 0.00 C ATOM 164 CD GLN A 12 15.215 3.367 1.438 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.534 2.402 1.110 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.478 3.233 1.831 1.00 0.00 N ATOM 0 H GLN A 12 12.095 5.559 1.454 1.00 0.00 H new ATOM 0 HA GLN A 12 14.029 7.230 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.289 4.282 -0.234 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.796 5.037 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.351 5.500 1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.817 4.823 2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.019 4.055 2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.906 2.308 1.866 1.00 0.00 H new ATOM 175 N CYS A 13 11.344 6.785 -1.460 1.00 0.00 N ATOM 176 CA CYS A 13 10.626 6.984 -2.714 1.00 0.00 C ATOM 177 C CYS A 13 9.640 8.145 -2.586 1.00 0.00 C ATOM 178 O CYS A 13 9.467 8.707 -1.504 1.00 0.00 O ATOM 179 CB CYS A 13 9.931 5.679 -3.115 1.00 0.00 C ATOM 180 SG CYS A 13 9.869 5.422 -4.900 1.00 0.00 S ATOM 0 H CYS A 13 10.732 6.749 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 13 11.329 7.249 -3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.452 4.841 -2.652 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.915 5.680 -2.720 1.00 0.00 H new ATOM 185 N GLY A 14 9.004 8.537 -3.695 1.00 0.00 N ATOM 186 CA GLY A 14 8.063 9.645 -3.688 1.00 0.00 C ATOM 187 C GLY A 14 6.859 9.331 -2.808 1.00 0.00 C ATOM 188 O GLY A 14 6.320 8.226 -2.836 1.00 0.00 O ATOM 0 H GLY A 14 9.129 8.098 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.558 10.546 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.731 9.852 -4.705 1.00 0.00 H new ATOM 192 N LYS A 15 6.393 10.342 -2.078 1.00 0.00 N ATOM 193 CA LYS A 15 5.292 10.216 -1.127 1.00 0.00 C ATOM 194 C LYS A 15 3.948 9.909 -1.798 1.00 0.00 C ATOM 195 O LYS A 15 2.988 9.555 -1.120 1.00 0.00 O ATOM 196 CB LYS A 15 5.253 11.448 -0.210 1.00 0.00 C ATOM 197 CG LYS A 15 6.611 11.742 0.457 1.00 0.00 C ATOM 198 CD LYS A 15 7.089 10.606 1.377 1.00 0.00 C ATOM 199 CE LYS A 15 8.527 10.829 1.856 1.00 0.00 C ATOM 200 NZ LYS A 15 9.507 10.573 0.780 1.00 0.00 N ATOM 0 H LYS A 15 6.776 11.286 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 15 5.480 9.343 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.943 12.317 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.500 11.296 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.359 11.914 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.533 12.662 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.426 10.533 2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.026 9.657 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.637 11.853 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.735 10.173 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.368 10.155 1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.097 9.915 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.747 11.468 0.308 1.00 0.00 H new ATOM 214 N GLY A 16 3.878 10.004 -3.131 1.00 0.00 N ATOM 215 CA GLY A 16 2.717 9.567 -3.893 1.00 0.00 C ATOM 216 C GLY A 16 2.699 8.036 -4.018 1.00 0.00 C ATOM 217 O GLY A 16 1.839 7.476 -4.698 1.00 0.00 O ATOM 0 H GLY A 16 4.628 10.387 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.805 9.908 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.735 10.018 -4.885 1.00 0.00 H new ATOM 221 N THR A 17 3.663 7.343 -3.402 1.00 0.00 N ATOM 222 CA THR A 17 3.751 5.899 -3.392 1.00 0.00 C ATOM 223 C THR A 17 4.194 5.478 -1.984 1.00 0.00 C ATOM 224 O THR A 17 4.572 6.335 -1.184 1.00 0.00 O ATOM 225 CB THR A 17 4.798 5.456 -4.442 1.00 0.00 C ATOM 226 OG1 THR A 17 6.115 5.738 -4.014 1.00 0.00 O ATOM 227 CG2 THR A 17 4.625 6.116 -5.815 1.00 0.00 C ATOM 0 H THR A 17 4.419 7.794 -2.886 1.00 0.00 H new ATOM 0 HA THR A 17 2.795 5.436 -3.637 1.00 0.00 H new ATOM 0 HB THR A 17 4.631 4.384 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.142 6.628 -3.605 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.397 5.753 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.643 5.867 -6.217 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.712 7.198 -5.712 1.00 0.00 H new ATOM 235 N CYS A 18 4.155 4.180 -1.679 1.00 0.00 N ATOM 236 CA CYS A 18 4.717 3.610 -0.459 1.00 0.00 C ATOM 237 C CYS A 18 5.596 2.434 -0.883 1.00 0.00 C ATOM 238 O CYS A 18 5.405 1.868 -1.963 1.00 0.00 O ATOM 239 CB CYS A 18 3.651 3.158 0.544 1.00 0.00 C ATOM 240 SG CYS A 18 3.122 1.448 0.334 1.00 0.00 S ATOM 0 H CYS A 18 3.723 3.484 -2.287 1.00 0.00 H new ATOM 0 HA CYS A 18 5.292 4.376 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.041 3.285 1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.782 3.810 0.453 1.00 0.00 H new ATOM 245 N CYS A 19 6.557 2.054 -0.045 1.00 0.00 N ATOM 246 CA CYS A 19 7.473 0.969 -0.344 1.00 0.00 C ATOM 247 C CYS A 19 6.844 -0.358 0.075 1.00 0.00 C ATOM 248 O CYS A 19 7.201 -0.942 1.097 1.00 0.00 O ATOM 249 CB CYS A 19 8.802 1.224 0.355 1.00 0.00 C ATOM 250 SG CYS A 19 10.030 0.072 -0.239 1.00 0.00 S ATOM 0 H CYS A 19 6.719 2.494 0.861 1.00 0.00 H new ATOM 0 HA CYS A 19 7.668 0.916 -1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.130 2.247 0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.682 1.118 1.433 1.00 0.00 H new ATOM 255 N ALA A 20 5.862 -0.815 -0.701 1.00 0.00 N ATOM 256 CA ALA A 20 5.097 -2.015 -0.389 1.00 0.00 C ATOM 257 C ALA A 20 5.925 -3.281 -0.590 1.00 0.00 C ATOM 258 O ALA A 20 6.808 -3.327 -1.437 1.00 0.00 O ATOM 259 CB ALA A 20 3.832 -2.075 -1.243 1.00 0.00 C ATOM 0 H ALA A 20 5.576 -0.359 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 20 4.818 -1.962 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.271 -2.977 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.216 -1.199 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.106 -2.092 -2.298 1.00 0.00 H new ATOM 265 N VAL A 21 5.624 -4.318 0.187 1.00 0.00 N ATOM 266 CA VAL A 21 6.293 -5.611 0.121 1.00 0.00 C ATOM 267 C VAL A 21 6.139 -6.222 -1.281 1.00 0.00 C ATOM 268 O VAL A 21 5.115 -6.004 -1.928 1.00 0.00 O ATOM 269 CB VAL A 21 5.668 -6.523 1.199 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.381 -7.869 1.336 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.679 -5.839 2.564 1.00 0.00 C ATOM 0 H VAL A 21 4.891 -4.280 0.896 1.00 0.00 H new ATOM 0 HA VAL A 21 7.361 -5.499 0.308 1.00 0.00 H new ATOM 0 HB VAL A 21 4.646 -6.707 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.893 -8.462 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.336 -8.403 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.423 -7.703 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.234 -6.501 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.706 -5.613 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.105 -4.914 2.512 1.00 0.00 H new ATOM 281 N SER A 22 7.120 -7.006 -1.753 1.00 0.00 N ATOM 282 CA SER A 22 7.041 -7.709 -3.025 1.00 0.00 C ATOM 283 C SER A 22 6.483 -9.124 -2.790 1.00 0.00 C ATOM 284 O SER A 22 7.127 -9.930 -2.120 1.00 0.00 O ATOM 285 CB SER A 22 8.440 -7.741 -3.638 1.00 0.00 C ATOM 286 OG SER A 22 8.997 -6.444 -3.635 1.00 0.00 O ATOM 0 H SER A 22 7.994 -7.166 -1.252 1.00 0.00 H new ATOM 0 HA SER A 22 6.368 -7.203 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.078 -8.421 -3.074 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.391 -8.122 -4.658 1.00 0.00 H new ATOM 0 HG SER A 22 9.820 -6.440 -4.167 1.00 0.00 H new ATOM 292 N LEU A 23 5.299 -9.430 -3.346 1.00 0.00 N ATOM 293 CA LEU A 23 4.549 -10.681 -3.153 1.00 0.00 C ATOM 294 C LEU A 23 5.403 -11.951 -3.190 1.00 0.00 C ATOM 295 O LEU A 23 5.131 -12.891 -2.447 1.00 0.00 O ATOM 296 CB LEU A 23 3.433 -10.838 -4.208 1.00 0.00 C ATOM 297 CG LEU A 23 2.138 -10.027 -4.038 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.300 -10.589 -2.891 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.350 -8.526 -3.849 1.00 0.00 C ATOM 0 H LEU A 23 4.818 -8.783 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 23 4.136 -10.584 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.858 -10.583 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.160 -11.893 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 23 1.604 -10.135 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.387 -10.002 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.042 -11.627 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.872 -10.540 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.384 -8.033 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.951 -8.353 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.866 -8.119 -4.719 1.00 0.00 H new ATOM 311 N TRP A 24 6.437 -11.979 -4.032 1.00 0.00 N ATOM 312 CA TRP A 24 7.205 -13.189 -4.304 1.00 0.00 C ATOM 313 C TRP A 24 8.490 -13.260 -3.480 1.00 0.00 C ATOM 314 O TRP A 24 9.143 -14.300 -3.463 1.00 0.00 O ATOM 315 CB TRP A 24 7.502 -13.232 -5.814 1.00 0.00 C ATOM 316 CG TRP A 24 6.413 -12.650 -6.671 1.00 0.00 C ATOM 317 CD1 TRP A 24 6.552 -11.584 -7.491 1.00 0.00 C ATOM 318 CD2 TRP A 24 4.981 -12.931 -6.627 1.00 0.00 C ATOM 319 NE1 TRP A 24 5.310 -11.158 -7.918 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.308 -11.949 -7.408 1.00 0.00 C ATOM 321 CE3 TRP A 24 4.173 -13.850 -5.925 1.00 0.00 C ATOM 322 CZ2 TRP A 24 2.912 -11.860 -7.463 1.00 0.00 C ATOM 323 CZ3 TRP A 24 2.770 -13.783 -5.986 1.00 0.00 C ATOM 324 CH2 TRP A 24 2.144 -12.747 -6.698 1.00 0.00 C ATOM 0 H TRP A 24 6.764 -11.160 -4.544 1.00 0.00 H new ATOM 0 HA TRP A 24 6.620 -14.060 -4.010 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.429 -12.692 -6.007 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.669 -14.267 -6.111 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.493 -11.133 -7.770 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.156 -10.359 -8.533 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.641 -14.620 -5.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.434 -11.118 -8.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.172 -14.530 -5.484 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.071 -12.634 -6.656 1.00 0.00 H new ATOM 335 N ILE A 25 8.859 -12.173 -2.795 1.00 0.00 N ATOM 336 CA ILE A 25 10.043 -12.111 -1.962 1.00 0.00 C ATOM 337 C ILE A 25 9.884 -10.945 -0.988 1.00 0.00 C ATOM 338 O ILE A 25 10.258 -9.813 -1.288 1.00 0.00 O ATOM 339 CB ILE A 25 11.317 -12.053 -2.828 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.560 -11.883 -1.939 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.276 -10.973 -3.918 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.867 -12.200 -2.671 1.00 0.00 C ATOM 0 H ILE A 25 8.328 -11.302 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 25 10.156 -13.017 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 25 11.372 -13.005 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.597 -10.859 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.470 -12.534 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.206 -10.993 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.438 -11.164 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.155 -9.994 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.708 -12.062 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.848 -13.233 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.977 -11.532 -3.525 1.00 0.00 H new ATOM 354 N LYS A 26 9.373 -11.227 0.214 1.00 0.00 N ATOM 355 CA LYS A 26 9.159 -10.203 1.231 1.00 0.00 C ATOM 356 C LYS A 26 10.458 -9.522 1.687 1.00 0.00 C ATOM 357 O LYS A 26 10.417 -8.574 2.469 1.00 0.00 O ATOM 358 CB LYS A 26 8.368 -10.774 2.416 1.00 0.00 C ATOM 359 CG LYS A 26 7.042 -11.406 1.966 1.00 0.00 C ATOM 360 CD LYS A 26 6.014 -11.462 3.107 1.00 0.00 C ATOM 361 CE LYS A 26 6.505 -12.297 4.295 1.00 0.00 C ATOM 362 NZ LYS A 26 5.487 -12.359 5.358 1.00 0.00 N ATOM 0 H LYS A 26 9.099 -12.166 0.505 1.00 0.00 H new ATOM 0 HA LYS A 26 8.564 -9.416 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.972 -11.523 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.167 -9.980 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.631 -10.833 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.228 -12.414 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.794 -10.449 3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.081 -11.882 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.746 -13.306 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.424 -11.865 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.846 -12.930 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.276 -11.397 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.620 -12.793 4.983 1.00 0.00 H new ATOM 376 N SER A 27 11.615 -10.003 1.223 1.00 0.00 N ATOM 377 CA SER A 27 12.897 -9.385 1.490 1.00 0.00 C ATOM 378 C SER A 27 13.022 -8.075 0.702 1.00 0.00 C ATOM 379 O SER A 27 13.747 -7.179 1.125 1.00 0.00 O ATOM 380 CB SER A 27 14.007 -10.366 1.098 1.00 0.00 C ATOM 381 OG SER A 27 13.642 -11.679 1.483 1.00 0.00 O ATOM 0 H SER A 27 11.678 -10.842 0.646 1.00 0.00 H new ATOM 0 HA SER A 27 12.985 -9.148 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.177 -10.326 0.022 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.943 -10.082 1.580 1.00 0.00 H new ATOM 0 HG SER A 27 14.353 -12.304 1.229 1.00 0.00 H new ATOM 387 N VAL A 28 12.342 -7.975 -0.449 1.00 0.00 N ATOM 388 CA VAL A 28 12.368 -6.805 -1.316 1.00 0.00 C ATOM 389 C VAL A 28 11.023 -6.088 -1.218 1.00 0.00 C ATOM 390 O VAL A 28 9.969 -6.715 -1.074 1.00 0.00 O ATOM 391 CB VAL A 28 12.675 -7.228 -2.765 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.738 -6.022 -3.712 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.008 -7.984 -2.845 1.00 0.00 C ATOM 0 H VAL A 28 11.748 -8.725 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 28 13.155 -6.120 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 28 11.859 -7.880 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.957 -6.365 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.780 -5.503 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.522 -5.341 -3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.202 -8.272 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.813 -7.340 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.957 -8.878 -2.223 1.00 0.00 H new ATOM 403 N ARG A 29 11.051 -4.761 -1.322 1.00 0.00 N ATOM 404 CA ARG A 29 9.879 -3.909 -1.273 1.00 0.00 C ATOM 405 C ARG A 29 9.997 -2.945 -2.468 1.00 0.00 C ATOM 406 O ARG A 29 11.110 -2.669 -2.923 1.00 0.00 O ATOM 407 CB ARG A 29 9.806 -3.245 0.111 1.00 0.00 C ATOM 408 CG ARG A 29 10.085 -4.221 1.257 1.00 0.00 C ATOM 409 CD ARG A 29 9.843 -3.549 2.615 1.00 0.00 C ATOM 410 NE ARG A 29 9.015 -4.400 3.472 1.00 0.00 N ATOM 411 CZ ARG A 29 9.356 -5.641 3.853 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.602 -6.087 3.675 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.441 -6.450 4.393 1.00 0.00 N ATOM 0 H ARG A 29 11.919 -4.240 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 29 8.933 -4.440 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.525 -2.427 0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.817 -2.807 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.443 -5.096 1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.115 -4.573 1.199 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.797 -3.351 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.354 -2.586 2.468 1.00 0.00 H new ATOM 0 HE ARG A 29 8.124 -4.027 3.800 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.303 -5.483 3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.852 -7.032 3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.482 -6.125 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.701 -7.393 4.682 1.00 0.00 H new ATOM 427 N VAL A 30 8.877 -2.488 -3.035 1.00 0.00 N ATOM 428 CA VAL A 30 8.848 -1.685 -4.251 1.00 0.00 C ATOM 429 C VAL A 30 7.864 -0.512 -4.142 1.00 0.00 C ATOM 430 O VAL A 30 6.824 -0.606 -3.480 1.00 0.00 O ATOM 431 CB VAL A 30 8.527 -2.583 -5.464 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.673 -3.549 -5.788 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.246 -3.412 -5.269 1.00 0.00 C ATOM 0 H VAL A 30 7.950 -2.672 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 30 9.835 -1.246 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 30 8.382 -1.890 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.401 -4.160 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.574 -2.980 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.859 -4.194 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.071 -4.024 -6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.359 -4.057 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.399 -2.743 -5.117 1.00 0.00 H new ATOM 443 N CYS A 31 8.206 0.601 -4.805 1.00 0.00 N ATOM 444 CA CYS A 31 7.419 1.834 -4.822 1.00 0.00 C ATOM 445 C CYS A 31 6.061 1.586 -5.476 1.00 0.00 C ATOM 446 O CYS A 31 5.925 1.672 -6.695 1.00 0.00 O ATOM 447 CB CYS A 31 8.142 2.958 -5.576 1.00 0.00 C ATOM 448 SG CYS A 31 9.819 3.350 -5.052 1.00 0.00 S ATOM 0 H CYS A 31 9.061 0.667 -5.358 1.00 0.00 H new ATOM 0 HA CYS A 31 7.282 2.145 -3.786 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.171 2.692 -6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.541 3.863 -5.491 1.00 0.00 H new ATOM 453 N THR A 32 5.048 1.290 -4.670 1.00 0.00 N ATOM 454 CA THR A 32 3.696 1.017 -5.127 1.00 0.00 C ATOM 455 C THR A 32 2.854 2.282 -4.933 1.00 0.00 C ATOM 456 O THR A 32 2.970 2.915 -3.886 1.00 0.00 O ATOM 457 CB THR A 32 3.165 -0.178 -4.339 1.00 0.00 C ATOM 458 OG1 THR A 32 4.077 -1.247 -4.508 1.00 0.00 O ATOM 459 CG2 THR A 32 1.777 -0.605 -4.819 1.00 0.00 C ATOM 0 H THR A 32 5.149 1.233 -3.657 1.00 0.00 H new ATOM 0 HA THR A 32 3.659 0.762 -6.186 1.00 0.00 H new ATOM 0 HB THR A 32 3.071 0.100 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.904 -1.051 -4.021 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.436 -1.458 -4.233 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.079 0.223 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.826 -0.885 -5.871 1.00 0.00 H new ATOM 467 N PRO A 33 2.051 2.699 -5.924 1.00 0.00 N ATOM 468 CA PRO A 33 1.203 3.879 -5.822 1.00 0.00 C ATOM 469 C PRO A 33 0.293 3.854 -4.594 1.00 0.00 C ATOM 470 O PRO A 33 -0.092 2.779 -4.134 1.00 0.00 O ATOM 471 CB PRO A 33 0.348 3.877 -7.094 1.00 0.00 C ATOM 472 CG PRO A 33 1.200 3.112 -8.104 1.00 0.00 C ATOM 473 CD PRO A 33 1.927 2.086 -7.235 1.00 0.00 C ATOM 0 HA PRO A 33 1.819 4.772 -5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.613 3.389 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.136 4.890 -7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.587 2.632 -8.867 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.898 3.769 -8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.367 1.153 -7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.906 1.846 -7.649 1.00 0.00 H new ATOM 481 N VAL A 34 -0.064 5.031 -4.066 1.00 0.00 N ATOM 482 CA VAL A 34 -1.077 5.083 -3.016 1.00 0.00 C ATOM 483 C VAL A 34 -2.368 4.466 -3.572 1.00 0.00 C ATOM 484 O VAL A 34 -2.687 4.620 -4.754 1.00 0.00 O ATOM 485 CB VAL A 34 -1.323 6.507 -2.489 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.269 6.921 -1.459 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.384 7.545 -3.610 1.00 0.00 C ATOM 0 H VAL A 34 0.323 5.934 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.720 4.515 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.298 6.479 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.478 7.933 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.297 6.234 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.719 6.892 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.559 8.532 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.440 7.548 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.196 7.296 -4.293 1.00 0.00 H new ATOM 497 N GLY A 35 -3.104 3.763 -2.714 1.00 0.00 N ATOM 498 CA GLY A 35 -4.308 3.042 -3.074 1.00 0.00 C ATOM 499 C GLY A 35 -5.337 3.962 -3.725 1.00 0.00 C ATOM 500 O GLY A 35 -6.029 4.726 -3.054 1.00 0.00 O ATOM 0 H GLY A 35 -2.868 3.681 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.057 2.232 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.739 2.584 -2.184 1.00 0.00 H new ATOM 504 N THR A 36 -5.436 3.878 -5.046 1.00 0.00 N ATOM 505 CA THR A 36 -6.333 4.674 -5.862 1.00 0.00 C ATOM 506 C THR A 36 -7.567 3.817 -6.163 1.00 0.00 C ATOM 507 O THR A 36 -7.548 2.608 -5.943 1.00 0.00 O ATOM 508 CB THR A 36 -5.549 5.117 -7.108 1.00 0.00 C ATOM 509 OG1 THR A 36 -4.369 5.783 -6.691 1.00 0.00 O ATOM 510 CG2 THR A 36 -6.330 6.085 -8.003 1.00 0.00 C ATOM 0 H THR A 36 -4.872 3.229 -5.594 1.00 0.00 H new ATOM 0 HA THR A 36 -6.690 5.580 -5.371 1.00 0.00 H new ATOM 0 HB THR A 36 -5.341 4.216 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.829 5.178 -6.141 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.719 6.358 -8.864 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.246 5.605 -8.346 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.580 6.982 -7.437 1.00 0.00 H new ATOM 518 N SER A 37 -8.650 4.449 -6.618 1.00 0.00 N ATOM 519 CA SER A 37 -9.949 3.866 -6.906 1.00 0.00 C ATOM 520 C SER A 37 -9.915 2.404 -7.367 1.00 0.00 C ATOM 521 O SER A 37 -9.554 2.125 -8.508 1.00 0.00 O ATOM 522 CB SER A 37 -10.612 4.760 -7.962 1.00 0.00 C ATOM 523 OG SER A 37 -10.282 6.116 -7.704 1.00 0.00 O ATOM 0 H SER A 37 -8.635 5.451 -6.806 1.00 0.00 H new ATOM 0 HA SER A 37 -10.518 3.830 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.275 4.475 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.694 4.627 -7.941 1.00 0.00 H new ATOM 0 HG SER A 37 -10.703 6.689 -8.378 1.00 0.00 H new ATOM 529 N GLY A 38 -10.305 1.476 -6.487 1.00 0.00 N ATOM 530 CA GLY A 38 -10.412 0.060 -6.809 1.00 0.00 C ATOM 531 C GLY A 38 -9.168 -0.764 -6.475 1.00 0.00 C ATOM 532 O GLY A 38 -9.261 -1.988 -6.422 1.00 0.00 O ATOM 0 H GLY A 38 -10.556 1.695 -5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.264 -0.358 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.625 -0.042 -7.873 1.00 0.00 H new ATOM 536 N GLU A 39 -8.006 -0.142 -6.255 1.00 0.00 N ATOM 537 CA GLU A 39 -6.808 -0.892 -5.904 1.00 0.00 C ATOM 538 C GLU A 39 -6.998 -1.562 -4.541 1.00 0.00 C ATOM 539 O GLU A 39 -7.679 -1.022 -3.666 1.00 0.00 O ATOM 540 CB GLU A 39 -5.570 0.011 -5.909 1.00 0.00 C ATOM 541 CG GLU A 39 -5.262 0.529 -7.321 1.00 0.00 C ATOM 542 CD GLU A 39 -3.931 1.273 -7.366 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.812 2.261 -6.611 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.059 0.843 -8.151 1.00 0.00 O ATOM 0 H GLU A 39 -7.875 0.868 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.647 -1.666 -6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.730 0.854 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.712 -0.543 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.236 -0.308 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.062 1.193 -7.649 1.00 0.00 H new ATOM 551 N ASP A 40 -6.407 -2.749 -4.377 1.00 0.00 N ATOM 552 CA ASP A 40 -6.490 -3.525 -3.151 1.00 0.00 C ATOM 553 C ASP A 40 -5.802 -2.801 -1.998 1.00 0.00 C ATOM 554 O ASP A 40 -4.884 -2.009 -2.205 1.00 0.00 O ATOM 555 CB ASP A 40 -5.893 -4.917 -3.367 1.00 0.00 C ATOM 556 CG ASP A 40 -6.709 -5.715 -4.377 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.698 -6.345 -3.942 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.343 -5.658 -5.570 1.00 0.00 O ATOM 0 H ASP A 40 -5.852 -3.198 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.540 -3.640 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.865 -4.824 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.859 -5.453 -2.418 1.00 0.00 H new ATOM 563 N CYS A 41 -6.250 -3.090 -0.777 1.00 0.00 N ATOM 564 CA CYS A 41 -5.742 -2.499 0.448 1.00 0.00 C ATOM 565 C CYS A 41 -6.035 -3.447 1.601 1.00 0.00 C ATOM 566 O CYS A 41 -6.683 -4.476 1.424 1.00 0.00 O ATOM 567 CB CYS A 41 -6.434 -1.156 0.702 1.00 0.00 C ATOM 568 SG CYS A 41 -8.202 -1.320 1.049 1.00 0.00 S ATOM 0 H CYS A 41 -6.999 -3.763 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.668 -2.333 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.950 -0.658 1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.299 -0.515 -0.169 1.00 0.00 H new ATOM 573 N HIS A 42 -5.550 -3.089 2.787 1.00 0.00 N ATOM 574 CA HIS A 42 -5.782 -3.800 4.033 1.00 0.00 C ATOM 575 C HIS A 42 -6.130 -2.716 5.054 1.00 0.00 C ATOM 576 O HIS A 42 -5.509 -1.653 5.001 1.00 0.00 O ATOM 577 CB HIS A 42 -4.506 -4.565 4.418 1.00 0.00 C ATOM 578 CG HIS A 42 -4.665 -5.441 5.633 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.890 -4.903 6.897 1.00 0.00 N ATOM 580 CD2 HIS A 42 -4.659 -6.806 5.734 1.00 0.00 C ATOM 581 CE1 HIS A 42 -5.019 -5.958 7.706 1.00 0.00 C ATOM 582 NE2 HIS A 42 -4.897 -7.125 7.055 1.00 0.00 N ATOM 0 H HIS A 42 -4.963 -2.264 2.907 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.583 -4.536 3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.195 -5.182 3.575 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.705 -3.848 4.601 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.497 -7.505 4.927 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.201 -5.880 8.768 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.966 -8.060 7.456 1.00 0.00 H new ATOM 590 N PRO A 43 -7.093 -2.905 5.967 1.00 0.00 N ATOM 591 CA PRO A 43 -7.421 -1.874 6.941 1.00 0.00 C ATOM 592 C PRO A 43 -6.193 -1.414 7.746 1.00 0.00 C ATOM 593 O PRO A 43 -6.175 -0.286 8.230 1.00 0.00 O ATOM 594 CB PRO A 43 -8.528 -2.468 7.819 1.00 0.00 C ATOM 595 CG PRO A 43 -8.399 -3.978 7.613 1.00 0.00 C ATOM 596 CD PRO A 43 -7.912 -4.087 6.169 1.00 0.00 C ATOM 0 HA PRO A 43 -7.765 -0.962 6.453 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.395 -2.196 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.512 -2.107 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.691 -4.422 8.313 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.351 -4.488 7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.336 -4.999 6.013 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.748 -4.114 5.470 1.00 0.00 H new ATOM 604 N ALA A 44 -5.154 -2.252 7.853 1.00 0.00 N ATOM 605 CA ALA A 44 -3.910 -1.938 8.543 1.00 0.00 C ATOM 606 C ALA A 44 -2.802 -1.515 7.566 1.00 0.00 C ATOM 607 O ALA A 44 -1.625 -1.671 7.887 1.00 0.00 O ATOM 608 CB ALA A 44 -3.475 -3.160 9.361 1.00 0.00 C ATOM 0 H ALA A 44 -5.162 -3.189 7.450 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.083 -1.090 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.544 -2.936 9.882 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.249 -3.405 10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.323 -4.009 8.694 1.00 0.00 H new ATOM 614 N SER A 45 -3.142 -0.982 6.383 1.00 0.00 N ATOM 615 CA SER A 45 -2.163 -0.473 5.431 1.00 0.00 C ATOM 616 C SER A 45 -1.480 0.758 6.029 1.00 0.00 C ATOM 617 O SER A 45 -1.896 1.886 5.773 1.00 0.00 O ATOM 618 CB SER A 45 -2.861 -0.122 4.115 1.00 0.00 C ATOM 619 OG SER A 45 -3.355 -1.303 3.518 1.00 0.00 O ATOM 0 H SER A 45 -4.107 -0.895 6.066 1.00 0.00 H new ATOM 0 HA SER A 45 -1.408 -1.232 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.678 0.575 4.299 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.163 0.375 3.441 1.00 0.00 H new ATOM 0 HG SER A 45 -3.918 -1.783 4.160 1.00 0.00 H new ATOM 625 N HIS A 46 -0.434 0.517 6.821 1.00 0.00 N ATOM 626 CA HIS A 46 0.346 1.497 7.565 1.00 0.00 C ATOM 627 C HIS A 46 0.565 2.803 6.803 1.00 0.00 C ATOM 628 O HIS A 46 0.910 2.775 5.620 1.00 0.00 O ATOM 629 CB HIS A 46 1.711 0.902 7.933 1.00 0.00 C ATOM 630 CG HIS A 46 1.633 -0.495 8.480 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.742 -1.605 7.642 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.327 -0.913 9.745 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.487 -2.650 8.435 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.239 -2.290 9.705 1.00 0.00 N ATOM 0 H HIS A 46 -0.090 -0.432 6.967 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.232 1.736 8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.348 0.901 7.048 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.191 1.545 8.671 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.182 -0.285 10.611 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.481 -3.674 8.092 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.027 -2.911 10.486 1.00 0.00 H new ATOM 642 N LYS A 47 0.392 3.935 7.492 1.00 0.00 N ATOM 643 CA LYS A 47 0.575 5.280 7.004 1.00 0.00 C ATOM 644 C LYS A 47 1.924 5.499 6.310 1.00 0.00 C ATOM 645 O LYS A 47 2.829 4.674 6.408 1.00 0.00 O ATOM 646 CB LYS A 47 0.398 6.207 8.227 1.00 0.00 C ATOM 647 CG LYS A 47 0.350 7.713 7.946 1.00 0.00 C ATOM 648 CD LYS A 47 -0.813 8.013 7.000 1.00 0.00 C ATOM 649 CE LYS A 47 -0.798 9.454 6.474 1.00 0.00 C ATOM 650 NZ LYS A 47 0.303 9.692 5.523 1.00 0.00 N ATOM 0 H LYS A 47 0.101 3.921 8.469 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.158 5.497 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.524 5.926 8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.217 6.016 8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.228 8.265 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.289 8.042 7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.776 7.323 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.754 7.831 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.749 9.670 5.987 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.706 10.144 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.282 10.683 5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.212 9.496 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.193 9.065 4.700 1.00 0.00 H new ATOM 664 N ILE A 48 2.036 6.614 5.584 1.00 0.00 N ATOM 665 CA ILE A 48 3.261 7.043 4.906 1.00 0.00 C ATOM 666 C ILE A 48 3.837 8.216 5.713 1.00 0.00 C ATOM 667 O ILE A 48 3.059 9.085 6.108 1.00 0.00 O ATOM 668 CB ILE A 48 2.942 7.484 3.458 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.584 6.261 2.596 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.107 8.245 2.797 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.985 6.664 1.243 1.00 0.00 C ATOM 0 H ILE A 48 1.258 7.259 5.448 1.00 0.00 H new ATOM 0 HA ILE A 48 3.982 6.227 4.849 1.00 0.00 H new ATOM 0 HB ILE A 48 2.094 8.165 3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.478 5.660 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.873 5.634 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.827 8.530 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.332 9.141 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.988 7.604 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.748 5.768 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.075 7.242 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.705 7.268 0.692 1.00 0.00 H new ATOM 683 N PRO A 49 5.160 8.316 5.923 1.00 0.00 N ATOM 684 CA PRO A 49 6.184 7.335 5.599 1.00 0.00 C ATOM 685 C PRO A 49 6.310 6.316 6.737 1.00 0.00 C ATOM 686 O PRO A 49 6.348 6.694 7.907 1.00 0.00 O ATOM 687 CB PRO A 49 7.469 8.154 5.460 1.00 0.00 C ATOM 688 CG PRO A 49 7.279 9.283 6.474 1.00 0.00 C ATOM 689 CD PRO A 49 5.767 9.525 6.458 1.00 0.00 C ATOM 0 HA PRO A 49 5.958 6.771 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.353 7.557 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.593 8.539 4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.629 8.996 7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.832 10.178 6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.397 9.733 7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.519 10.389 5.841 1.00 0.00 H new ATOM 697 N PHE A 50 6.421 5.031 6.402 1.00 0.00 N ATOM 698 CA PHE A 50 6.572 3.960 7.372 1.00 0.00 C ATOM 699 C PHE A 50 8.053 3.603 7.464 1.00 0.00 C ATOM 700 O PHE A 50 8.564 2.799 6.682 1.00 0.00 O ATOM 701 CB PHE A 50 5.729 2.752 6.949 1.00 0.00 C ATOM 702 CG PHE A 50 5.612 1.690 8.025 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.808 1.938 9.153 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.329 0.483 7.929 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.673 0.961 10.154 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.189 -0.495 8.931 1.00 0.00 C ATOM 707 CZ PHE A 50 5.353 -0.262 10.036 1.00 0.00 C ATOM 0 H PHE A 50 6.408 4.706 5.435 1.00 0.00 H new ATOM 0 HA PHE A 50 6.220 4.277 8.354 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.730 3.093 6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.168 2.307 6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.293 2.882 9.250 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.985 0.308 7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.047 1.151 11.013 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.726 -1.428 8.850 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.234 -1.022 10.794 1.00 0.00 H new ATOM 717 N SER A 51 8.754 4.220 8.416 1.00 0.00 N ATOM 718 CA SER A 51 10.164 4.013 8.695 1.00 0.00 C ATOM 719 C SER A 51 10.375 2.653 9.376 1.00 0.00 C ATOM 720 O SER A 51 10.838 2.571 10.512 1.00 0.00 O ATOM 721 CB SER A 51 10.635 5.200 9.550 1.00 0.00 C ATOM 722 OG SER A 51 9.573 5.641 10.384 1.00 0.00 O ATOM 0 H SER A 51 8.329 4.908 9.038 1.00 0.00 H new ATOM 0 HA SER A 51 10.759 3.980 7.783 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.490 4.905 10.159 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.967 6.015 8.907 1.00 0.00 H new ATOM 0 HG SER A 51 9.877 6.397 10.929 1.00 0.00 H new ATOM 728 N GLY A 52 10.046 1.578 8.662 1.00 0.00 N ATOM 729 CA GLY A 52 10.163 0.207 9.121 1.00 0.00 C ATOM 730 C GLY A 52 9.993 -0.705 7.913 1.00 0.00 C ATOM 731 O GLY A 52 10.316 -0.306 6.795 1.00 0.00 O ATOM 0 H GLY A 52 9.678 1.647 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.133 0.043 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.405 -0.010 9.873 1.00 0.00 H new ATOM 735 N GLN A 53 9.500 -1.927 8.117 1.00 0.00 N ATOM 736 CA GLN A 53 9.242 -2.889 7.053 1.00 0.00 C ATOM 737 C GLN A 53 7.751 -3.207 7.066 1.00 0.00 C ATOM 738 O GLN A 53 7.268 -3.842 8.001 1.00 0.00 O ATOM 739 CB GLN A 53 10.093 -4.151 7.264 1.00 0.00 C ATOM 740 CG GLN A 53 11.605 -3.905 7.131 1.00 0.00 C ATOM 741 CD GLN A 53 12.013 -3.472 5.725 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.419 -4.290 4.903 1.00 0.00 O ATOM 743 NE2 GLN A 53 11.902 -2.183 5.429 1.00 0.00 N ATOM 0 H GLN A 53 9.265 -2.279 9.045 1.00 0.00 H new ATOM 0 HA GLN A 53 9.516 -2.479 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.885 -4.557 8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.792 -4.907 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.908 -3.139 7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.141 -4.816 7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.562 -1.526 6.131 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.157 -1.849 4.499 1.00 0.00 H new ATOM 752 N ARG A 54 7.009 -2.698 6.077 1.00 0.00 N ATOM 753 CA ARG A 54 5.582 -2.963 5.945 1.00 0.00 C ATOM 754 C ARG A 54 5.342 -4.473 5.965 1.00 0.00 C ATOM 755 O ARG A 54 6.101 -5.220 5.354 1.00 0.00 O ATOM 756 CB ARG A 54 5.057 -2.388 4.622 1.00 0.00 C ATOM 757 CG ARG A 54 4.986 -0.859 4.644 1.00 0.00 C ATOM 758 CD ARG A 54 4.535 -0.329 3.277 1.00 0.00 C ATOM 759 NE ARG A 54 4.309 1.122 3.333 1.00 0.00 N ATOM 760 CZ ARG A 54 3.201 1.681 3.841 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.048 1.003 3.905 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.252 2.924 4.310 1.00 0.00 N ATOM 0 H ARG A 54 7.385 -2.092 5.348 1.00 0.00 H new ATOM 0 HA ARG A 54 5.056 -2.491 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.705 -2.708 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.066 -2.793 4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.290 -0.531 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.962 -0.446 4.898 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.291 -0.556 2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.619 -0.833 2.970 1.00 0.00 H new ATOM 0 HE ARG A 54 5.035 1.738 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.001 0.043 3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.216 1.447 4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.129 3.444 4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.414 3.357 4.698 1.00 0.00 H new ATOM 776 N MET A 55 4.297 -4.920 6.664 1.00 0.00 N ATOM 777 CA MET A 55 3.934 -6.329 6.699 1.00 0.00 C ATOM 778 C MET A 55 3.149 -6.658 5.429 1.00 0.00 C ATOM 779 O MET A 55 3.461 -7.606 4.712 1.00 0.00 O ATOM 780 CB MET A 55 3.116 -6.613 7.969 1.00 0.00 C ATOM 781 CG MET A 55 2.669 -8.078 8.072 1.00 0.00 C ATOM 782 SD MET A 55 4.002 -9.306 8.097 1.00 0.00 S ATOM 783 CE MET A 55 3.020 -10.822 8.105 1.00 0.00 C ATOM 0 H MET A 55 3.686 -4.318 7.216 1.00 0.00 H new ATOM 0 HA MET A 55 4.821 -6.962 6.731 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.712 -6.357 8.845 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.238 -5.968 7.982 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.075 -8.195 8.979 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.012 -8.298 7.230 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.685 -11.686 8.120 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.383 -10.838 8.990 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.399 -10.858 7.210 1.00 0.00 H new ATOM 793 N HIS A 56 2.108 -5.865 5.170 1.00 0.00 N ATOM 794 CA HIS A 56 1.218 -6.036 4.036 1.00 0.00 C ATOM 795 C HIS A 56 1.790 -5.364 2.791 1.00 0.00 C ATOM 796 O HIS A 56 2.375 -4.284 2.872 1.00 0.00 O ATOM 797 CB HIS A 56 -0.146 -5.425 4.377 1.00 0.00 C ATOM 798 CG HIS A 56 -0.708 -5.921 5.682 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.553 -5.189 6.858 1.00 0.00 N ATOM 800 CD2 HIS A 56 -1.339 -7.101 5.972 1.00 0.00 C ATOM 801 CE1 HIS A 56 -1.124 -5.938 7.804 1.00 0.00 C ATOM 802 NE2 HIS A 56 -1.601 -7.099 7.327 1.00 0.00 N ATOM 0 H HIS A 56 1.861 -5.070 5.760 1.00 0.00 H new ATOM 0 HA HIS A 56 1.109 -7.100 3.827 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.051 -4.340 4.419 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.849 -5.653 3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.585 -7.886 5.272 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.195 -5.642 8.840 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -2.065 -7.834 7.861 1.00 0.00 H new ATOM 810 N HIS A 57 1.579 -5.974 1.624 1.00 0.00 N ATOM 811 CA HIS A 57 1.994 -5.457 0.324 1.00 0.00 C ATOM 812 C HIS A 57 1.050 -4.332 -0.103 1.00 0.00 C ATOM 813 O HIS A 57 0.556 -4.335 -1.229 1.00 0.00 O ATOM 814 CB HIS A 57 1.948 -6.596 -0.710 1.00 0.00 C ATOM 815 CG HIS A 57 2.528 -7.891 -0.220 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.868 -8.642 0.748 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.693 -8.525 -0.551 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.682 -9.675 0.961 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.790 -9.657 0.216 1.00 0.00 N ATOM 0 H HIS A 57 1.098 -6.871 1.558 1.00 0.00 H new ATOM 0 HA HIS A 57 3.009 -5.066 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.912 -6.763 -1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.488 -6.283 -1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.410 -8.193 -1.287 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.465 -10.457 1.673 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.547 -10.340 0.217 1.00 0.00 H new ATOM 827 N THR A 58 0.777 -3.374 0.786 1.00 0.00 N ATOM 828 CA THR A 58 -0.223 -2.356 0.547 1.00 0.00 C ATOM 829 C THR A 58 0.219 -0.980 1.046 1.00 0.00 C ATOM 830 O THR A 58 0.984 -0.828 2.009 1.00 0.00 O ATOM 831 CB THR A 58 -1.542 -2.797 1.207 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.355 -2.948 2.598 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.054 -4.138 0.662 1.00 0.00 C ATOM 0 H THR A 58 1.247 -3.291 1.687 1.00 0.00 H new ATOM 0 HA THR A 58 -0.367 -2.251 -0.528 1.00 0.00 H new ATOM 0 HB THR A 58 -2.275 -2.022 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.014 -2.404 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.986 -4.402 1.161 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.229 -4.052 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.311 -4.914 0.848 1.00 0.00 H new ATOM 841 N CYS A 59 -0.291 0.036 0.351 1.00 0.00 N ATOM 842 CA CYS A 59 -0.104 1.444 0.641 1.00 0.00 C ATOM 843 C CYS A 59 -1.439 1.993 1.115 1.00 0.00 C ATOM 844 O CYS A 59 -2.476 1.420 0.777 1.00 0.00 O ATOM 845 CB CYS A 59 0.334 2.169 -0.633 1.00 0.00 C ATOM 846 SG CYS A 59 1.894 1.599 -1.325 1.00 0.00 S ATOM 0 H CYS A 59 -0.875 -0.116 -0.471 1.00 0.00 H new ATOM 0 HA CYS A 59 0.660 1.588 1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.445 2.054 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.415 3.235 -0.419 1.00 0.00 H new ATOM 851 N PRO A 60 -1.444 3.066 1.917 1.00 0.00 N ATOM 852 CA PRO A 60 -2.685 3.699 2.313 1.00 0.00 C ATOM 853 C PRO A 60 -3.437 4.163 1.073 1.00 0.00 C ATOM 854 O PRO A 60 -2.859 4.300 -0.007 1.00 0.00 O ATOM 855 CB PRO A 60 -2.312 4.917 3.156 1.00 0.00 C ATOM 856 CG PRO A 60 -0.900 4.595 3.613 1.00 0.00 C ATOM 857 CD PRO A 60 -0.308 3.784 2.460 1.00 0.00 C ATOM 0 HA PRO A 60 -3.317 3.007 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.348 5.838 2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.990 5.047 4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.325 5.502 3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.902 4.024 4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.151 4.430 1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.466 3.101 2.809 1.00 0.00 H new ATOM 865 N CYS A 61 -4.723 4.441 1.245 1.00 0.00 N ATOM 866 CA CYS A 61 -5.532 4.932 0.144 1.00 0.00 C ATOM 867 C CYS A 61 -5.144 6.381 -0.131 1.00 0.00 C ATOM 868 O CYS A 61 -4.735 7.091 0.788 1.00 0.00 O ATOM 869 CB CYS A 61 -7.027 4.810 0.448 1.00 0.00 C ATOM 870 SG CYS A 61 -7.672 3.137 0.673 1.00 0.00 S ATOM 0 H CYS A 61 -5.222 4.335 2.128 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.344 4.325 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.239 5.381 1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.580 5.282 -0.364 1.00 0.00 H new ATOM 875 N ALA A 62 -5.247 6.829 -1.386 1.00 0.00 N ATOM 876 CA ALA A 62 -4.938 8.210 -1.726 1.00 0.00 C ATOM 877 C ALA A 62 -5.839 9.112 -0.867 1.00 0.00 C ATOM 878 O ALA A 62 -7.049 8.873 -0.867 1.00 0.00 O ATOM 879 CB ALA A 62 -5.146 8.462 -3.218 1.00 0.00 C ATOM 0 H ALA A 62 -5.541 6.254 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.891 8.431 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.909 9.501 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.493 7.805 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.185 8.260 -3.480 1.00 0.00 H new ATOM 885 N PRO A 63 -5.276 10.087 -0.124 1.00 0.00 N ATOM 886 CA PRO A 63 -5.973 10.976 0.807 1.00 0.00 C ATOM 887 C PRO A 63 -7.296 11.585 0.340 1.00 0.00 C ATOM 888 O PRO A 63 -7.380 12.763 0.006 1.00 0.00 O ATOM 889 CB PRO A 63 -4.954 12.041 1.206 1.00 0.00 C ATOM 890 CG PRO A 63 -3.685 11.204 1.238 1.00 0.00 C ATOM 891 CD PRO A 63 -3.841 10.310 0.011 1.00 0.00 C ATOM 0 HA PRO A 63 -6.317 10.373 1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.897 12.854 0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.180 12.491 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.790 11.823 1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.607 10.622 2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.432 10.789 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.307 9.368 0.140 1.00 0.00 H new ATOM 899 N ASN A 64 -8.328 10.750 0.396 1.00 0.00 N ATOM 900 CA ASN A 64 -9.727 11.004 0.080 1.00 0.00 C ATOM 901 C ASN A 64 -10.470 9.670 0.114 1.00 0.00 C ATOM 902 O ASN A 64 -11.487 9.537 0.789 1.00 0.00 O ATOM 903 CB ASN A 64 -9.918 11.667 -1.292 1.00 0.00 C ATOM 904 CG ASN A 64 -11.400 11.856 -1.578 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.010 12.799 -1.087 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.978 10.961 -2.371 1.00 0.00 N ATOM 0 H ASN A 64 -8.191 9.784 0.693 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.122 11.700 0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.410 12.631 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.465 11.051 -2.069 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.970 11.042 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.430 10.192 -2.757 1.00 0.00 H new ATOM 913 N LEU A 65 -9.955 8.675 -0.614 1.00 0.00 N ATOM 914 CA LEU A 65 -10.543 7.361 -0.686 1.00 0.00 C ATOM 915 C LEU A 65 -10.347 6.627 0.643 1.00 0.00 C ATOM 916 O LEU A 65 -9.491 7.007 1.442 1.00 0.00 O ATOM 917 CB LEU A 65 -9.886 6.605 -1.842 1.00 0.00 C ATOM 918 CG LEU A 65 -10.144 7.230 -3.222 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.944 8.036 -3.722 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.402 6.115 -4.237 1.00 0.00 C ATOM 0 H LEU A 65 -9.107 8.774 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.616 7.430 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.811 6.561 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.251 5.578 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.001 7.896 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.172 8.459 -4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.729 8.841 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.075 7.383 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.586 6.552 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.532 5.461 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.273 5.536 -3.929 1.00 0.00 H new ATOM 932 N ALA A 66 -11.124 5.564 0.867 1.00 0.00 N ATOM 933 CA ALA A 66 -11.094 4.781 2.099 1.00 0.00 C ATOM 934 C ALA A 66 -10.973 3.288 1.801 1.00 0.00 C ATOM 935 O ALA A 66 -11.564 2.790 0.842 1.00 0.00 O ATOM 936 CB ALA A 66 -12.358 5.065 2.912 1.00 0.00 C ATOM 0 H ALA A 66 -11.801 5.220 0.186 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.218 5.073 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.337 4.481 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.403 6.126 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.236 4.790 2.327 1.00 0.00 H new ATOM 942 N CYS A 67 -10.204 2.578 2.635 1.00 0.00 N ATOM 943 CA CYS A 67 -9.991 1.143 2.509 1.00 0.00 C ATOM 944 C CYS A 67 -11.193 0.412 3.097 1.00 0.00 C ATOM 945 O CYS A 67 -11.396 0.473 4.309 1.00 0.00 O ATOM 946 CB CYS A 67 -8.720 0.715 3.255 1.00 0.00 C ATOM 947 SG CYS A 67 -8.409 -1.055 3.099 1.00 0.00 S ATOM 0 H CYS A 67 -9.709 2.995 3.424 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.874 0.893 1.455 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.866 1.269 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.813 0.975 4.309 1.00 0.00 H new ATOM 952 N VAL A 68 -11.997 -0.261 2.270 1.00 0.00 N ATOM 953 CA VAL A 68 -13.185 -0.966 2.732 1.00 0.00 C ATOM 954 C VAL A 68 -13.342 -2.297 2.008 1.00 0.00 C ATOM 955 O VAL A 68 -12.823 -2.501 0.910 1.00 0.00 O ATOM 956 CB VAL A 68 -14.418 -0.055 2.623 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.630 0.462 1.198 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.711 -0.703 3.135 1.00 0.00 C ATOM 0 H VAL A 68 -11.839 -0.330 1.265 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.075 -1.214 3.788 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.195 0.788 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.513 1.101 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.757 1.035 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.772 -0.381 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.538 -0.001 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.921 -1.603 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -15.594 -0.966 4.186 1.00 0.00 H new ATOM 968 N GLN A 69 -14.042 -3.218 2.667 1.00 0.00 N ATOM 969 CA GLN A 69 -14.281 -4.554 2.163 1.00 0.00 C ATOM 970 C GLN A 69 -15.306 -4.520 1.035 1.00 0.00 C ATOM 971 O GLN A 69 -16.372 -3.920 1.174 1.00 0.00 O ATOM 972 CB GLN A 69 -14.568 -5.504 3.337 1.00 0.00 C ATOM 973 CG GLN A 69 -16.018 -5.608 3.813 1.00 0.00 C ATOM 974 CD GLN A 69 -16.728 -6.704 3.026 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.635 -7.882 3.353 1.00 0.00 O ATOM 976 NE2 GLN A 69 -17.365 -6.332 1.928 1.00 0.00 N ATOM 0 H GLN A 69 -14.463 -3.047 3.580 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.394 -4.972 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.233 -6.502 3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.956 -5.190 4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.048 -5.832 4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.528 -4.655 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.425 -5.344 1.683 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.796 -7.034 1.326 1.00 0.00 H new ATOM 985 N THR A 70 -14.980 -5.186 -0.071 1.00 0.00 N ATOM 986 CA THR A 70 -15.875 -5.417 -1.197 1.00 0.00 C ATOM 987 C THR A 70 -16.419 -6.841 -1.032 1.00 0.00 C ATOM 988 O THR A 70 -17.569 -7.130 -1.358 1.00 0.00 O ATOM 989 CB THR A 70 -15.156 -5.160 -2.529 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.937 -5.864 -2.630 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.866 -3.666 -2.690 1.00 0.00 C ATOM 0 H THR A 70 -14.055 -5.592 -0.210 1.00 0.00 H new ATOM 0 HA THR A 70 -16.714 -4.722 -1.212 1.00 0.00 H new ATOM 0 HB THR A 70 -15.822 -5.513 -3.316 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.621 -6.101 -1.733 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.356 -3.494 -3.638 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.803 -3.110 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.232 -3.328 -1.870 1.00 0.00 H new ATOM 999 N SER A 71 -15.610 -7.735 -0.459 1.00 0.00 N ATOM 1000 CA SER A 71 -15.985 -9.066 -0.012 1.00 0.00 C ATOM 1001 C SER A 71 -15.021 -9.383 1.140 1.00 0.00 C ATOM 1002 O SER A 71 -14.032 -8.663 1.294 1.00 0.00 O ATOM 1003 CB SER A 71 -15.923 -10.074 -1.167 1.00 0.00 C ATOM 1004 OG SER A 71 -16.413 -9.496 -2.363 1.00 0.00 O ATOM 0 H SER A 71 -14.625 -7.533 -0.288 1.00 0.00 H new ATOM 0 HA SER A 71 -17.017 -9.124 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.895 -10.405 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.510 -10.958 -0.917 1.00 0.00 H new ATOM 0 HG SER A 71 -16.364 -10.153 -3.088 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.292 -10.402 1.968 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.415 -10.799 3.060 1.00 0.00 C ATOM 1012 C PRO A 72 -12.967 -10.901 2.573 1.00 0.00 C ATOM 1013 O PRO A 72 -12.724 -11.503 1.528 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.965 -12.145 3.540 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.461 -12.018 3.247 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.493 -11.212 1.947 1.00 0.00 C ATOM 0 HA PRO A 72 -14.398 -10.074 3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.516 -12.981 3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.772 -12.307 4.600 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.933 -12.993 3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.987 -11.505 4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.509 -11.869 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.386 -10.589 1.892 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.024 -10.258 3.274 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.602 -10.191 2.930 1.00 0.00 C ATOM 1026 C LYS A 73 -10.343 -9.253 1.738 1.00 0.00 C ATOM 1027 O LYS A 73 -9.387 -8.477 1.756 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.014 -11.597 2.716 1.00 0.00 C ATOM 1029 CG LYS A 73 -8.487 -11.590 2.866 1.00 0.00 C ATOM 1030 CD LYS A 73 -7.858 -12.932 2.468 1.00 0.00 C ATOM 1031 CE LYS A 73 -8.331 -14.089 3.357 1.00 0.00 C ATOM 1032 NZ LYS A 73 -7.613 -15.336 3.039 1.00 0.00 N ATOM 0 H LYS A 73 -12.242 -9.750 4.131 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.076 -9.754 3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.449 -12.289 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.283 -11.959 1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.067 -10.797 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.226 -11.361 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.105 -13.152 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.773 -12.853 2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.174 -13.833 4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.402 -14.239 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.954 -16.100 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.784 -15.591 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.593 -15.198 3.191 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.187 -9.317 0.708 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.141 -8.497 -0.490 1.00 0.00 C ATOM 1048 C LYS A 74 -11.421 -7.026 -0.139 1.00 0.00 C ATOM 1049 O LYS A 74 -12.510 -6.500 -0.386 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.163 -9.074 -1.480 1.00 0.00 C ATOM 1051 CG LYS A 74 -12.064 -8.498 -2.895 1.00 0.00 C ATOM 1052 CD LYS A 74 -13.370 -8.828 -3.627 1.00 0.00 C ATOM 1053 CE LYS A 74 -13.335 -8.365 -5.085 1.00 0.00 C ATOM 1054 NZ LYS A 74 -14.594 -8.701 -5.774 1.00 0.00 N ATOM 0 H LYS A 74 -11.961 -9.981 0.692 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.152 -8.515 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.032 -10.155 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.167 -8.892 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.908 -7.420 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.212 -8.926 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.546 -9.903 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.205 -8.351 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.170 -7.288 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.497 -8.835 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.547 -8.377 -6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.737 -9.731 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.388 -8.232 -5.294 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.404 -6.350 0.394 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.449 -4.951 0.793 1.00 0.00 C ATOM 1070 C PHE A 75 -9.839 -4.104 -0.319 1.00 0.00 C ATOM 1071 O PHE A 75 -8.757 -4.414 -0.817 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.690 -4.752 2.113 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.546 -4.804 3.364 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.787 -6.032 4.008 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.989 -3.608 3.960 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.420 -6.058 5.263 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.621 -3.633 5.214 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.824 -4.857 5.873 1.00 0.00 C ATOM 0 H PHE A 75 -9.495 -6.780 0.564 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.482 -4.643 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.918 -5.517 2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.182 -3.788 2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.485 -6.956 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.842 -2.667 3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.596 -7.001 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.951 -2.712 5.671 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.290 -4.876 6.847 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.552 -3.047 -0.723 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.150 -2.141 -1.786 1.00 0.00 C ATOM 1090 C LYS A 76 -10.375 -0.690 -1.373 1.00 0.00 C ATOM 1091 O LYS A 76 -11.154 -0.395 -0.464 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.938 -2.451 -3.065 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.410 -3.707 -3.765 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.300 -4.029 -4.966 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.653 -5.065 -5.893 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.316 -6.314 -5.189 1.00 0.00 N ATOM 0 H LYS A 76 -11.448 -2.798 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.086 -2.284 -1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.991 -2.587 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.876 -1.602 -3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.382 -3.550 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.399 -4.547 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.261 -4.405 -4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.500 -3.115 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.332 -5.287 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.749 -4.642 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.306 -7.103 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.378 -6.223 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.026 -6.500 -4.452 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.668 0.213 -2.052 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.751 1.647 -1.815 1.00 0.00 C ATOM 1112 C CYS A 77 -10.925 2.197 -2.609 1.00 0.00 C ATOM 1113 O CYS A 77 -10.818 2.344 -3.828 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.446 2.339 -2.215 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.104 2.087 -1.032 1.00 0.00 S ATOM 0 H CYS A 77 -9.013 -0.039 -2.792 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.905 1.839 -0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.133 1.970 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.629 3.408 -2.322 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.045 2.480 -1.939 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.234 3.015 -2.590 1.00 0.00 C ATOM 1122 C LEU A 78 -13.325 4.525 -2.389 1.00 0.00 C ATOM 1123 O LEU A 78 -12.848 5.074 -1.393 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.508 2.313 -2.112 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.500 0.790 -2.328 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.909 0.250 -2.051 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.094 0.392 -3.753 1.00 0.00 C ATOM 0 H LEU A 78 -12.149 2.344 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.143 2.818 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.648 2.519 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.364 2.740 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.762 0.366 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.921 -0.830 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.190 0.478 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.619 0.718 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.107 -0.694 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.796 0.825 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.090 0.762 -3.962 1.00 0.00 H new ATOM 1139 N SER A 79 -13.925 5.179 -3.383 1.00 0.00 N ATOM 1140 CA SER A 79 -14.088 6.614 -3.478 1.00 0.00 C ATOM 1141 C SER A 79 -14.983 7.191 -2.384 1.00 0.00 C ATOM 1142 O SER A 79 -15.779 6.480 -1.772 1.00 0.00 O ATOM 1143 CB SER A 79 -14.673 6.929 -4.859 1.00 0.00 C ATOM 1144 OG SER A 79 -14.091 6.073 -5.830 1.00 0.00 O ATOM 0 H SER A 79 -14.329 4.689 -4.181 1.00 0.00 H new ATOM 0 HA SER A 79 -13.112 7.080 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.755 6.797 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.482 7.971 -5.117 1.00 0.00 H new ATOM 0 HG SER A 79 -14.468 6.275 -6.712 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.847 8.498 -2.179 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.610 9.347 -1.292 1.00 0.00 C ATOM 1152 C LYS A 80 -15.565 10.712 -1.978 1.00 0.00 C ATOM 1153 O LYS A 80 -16.453 11.540 -1.690 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.969 9.426 0.099 1.00 0.00 C ATOM 1155 CG LYS A 80 -14.996 8.080 0.837 1.00 0.00 C ATOM 1156 CD LYS A 80 -14.422 8.170 2.259 1.00 0.00 C ATOM 1157 CE LYS A 80 -15.099 9.221 3.149 1.00 0.00 C ATOM 1158 NZ LYS A 80 -16.564 9.066 3.168 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.629 10.877 -2.802 1.00 0.00 O ATOM 0 H LYS A 80 -14.134 9.030 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.622 8.976 -1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.937 9.762 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.493 10.174 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.023 7.719 0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.427 7.346 0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.512 7.194 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.358 8.397 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.712 9.139 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.844 10.218 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.978 9.762 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.942 9.220 2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.807 8.106 3.486 1.00 0.00 H new