USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0576 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 11:sc= 0.505 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -23:sc= -1.01! USER MOD Single : A 11 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -77:sc= -3.89! USER MOD Single : A 19 GLN : amide:sc= -0.42 K(o=-0.42,f=-3.1!) USER MOD Single : A 20 ASN : amide:sc= -0.739 K(o=-0.74,f=-1.6) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -7.74! C(o=-7.7!,f=-6.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 130:sc= -2.66! USER MOD Single : A 53 MET CE :methyl 157:sc= -4.63 (180deg=-5.95!) USER MOD Single : A 56 SER OG : rot 162:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.574 X(o=-0.57,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.577 -5.598 -11.748 1.00 0.00 N ATOM 2 CA GLY A 1 -12.173 -4.362 -11.271 1.00 0.00 C ATOM 3 C GLY A 1 -12.613 -4.493 -9.812 1.00 0.00 C ATOM 4 O GLY A 1 -12.040 -5.275 -9.055 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.755 -5.379 -12.346 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.272 -6.172 -10.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.277 -6.129 -12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.455 -3.547 -11.366 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.031 -4.105 -11.892 1.00 0.00 H new ATOM 8 N SER A 2 -13.627 -3.716 -9.460 1.00 0.00 N ATOM 9 CA SER A 2 -14.150 -3.735 -8.105 1.00 0.00 C ATOM 10 C SER A 2 -14.746 -5.109 -7.794 1.00 0.00 C ATOM 11 O SER A 2 -15.061 -5.874 -8.704 1.00 0.00 O ATOM 12 CB SER A 2 -15.203 -2.643 -7.906 1.00 0.00 C ATOM 13 OG SER A 2 -14.803 -1.689 -6.925 1.00 0.00 O ATOM 0 H SER A 2 -14.100 -3.069 -10.091 1.00 0.00 H new ATOM 0 HA SER A 2 -13.327 -3.538 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.383 -2.135 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.146 -3.099 -7.605 1.00 0.00 H new ATOM 0 HG SER A 2 -15.501 -1.007 -6.828 1.00 0.00 H new ATOM 19 N SER A 3 -14.882 -5.382 -6.504 1.00 0.00 N ATOM 20 CA SER A 3 -15.434 -6.651 -6.062 1.00 0.00 C ATOM 21 C SER A 3 -16.045 -6.498 -4.667 1.00 0.00 C ATOM 22 O SER A 3 -15.812 -5.498 -3.990 1.00 0.00 O ATOM 23 CB SER A 3 -14.364 -7.745 -6.055 1.00 0.00 C ATOM 24 OG SER A 3 -14.015 -8.157 -7.374 1.00 0.00 O ATOM 0 H SER A 3 -14.619 -4.746 -5.751 1.00 0.00 H new ATOM 0 HA SER A 3 -16.214 -6.948 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.475 -7.379 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.727 -8.604 -5.491 1.00 0.00 H new ATOM 0 HG SER A 3 -14.400 -7.533 -8.024 1.00 0.00 H new ATOM 30 N GLY A 4 -16.815 -7.504 -4.280 1.00 0.00 N ATOM 31 CA GLY A 4 -17.461 -7.493 -2.978 1.00 0.00 C ATOM 32 C GLY A 4 -16.485 -7.914 -1.878 1.00 0.00 C ATOM 33 O GLY A 4 -15.678 -7.107 -1.418 1.00 0.00 O ATOM 0 H GLY A 4 -17.006 -8.332 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.844 -6.495 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.317 -8.168 -2.987 1.00 0.00 H new ATOM 37 N SER A 5 -16.590 -9.175 -1.488 1.00 0.00 N ATOM 38 CA SER A 5 -15.726 -9.712 -0.450 1.00 0.00 C ATOM 39 C SER A 5 -14.322 -9.951 -1.010 1.00 0.00 C ATOM 40 O SER A 5 -13.910 -11.095 -1.197 1.00 0.00 O ATOM 41 CB SER A 5 -16.296 -11.011 0.124 1.00 0.00 C ATOM 42 OG SER A 5 -17.259 -10.765 1.145 1.00 0.00 O ATOM 0 H SER A 5 -17.260 -9.841 -1.872 1.00 0.00 H new ATOM 0 HA SER A 5 -15.669 -8.983 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.756 -11.590 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.484 -11.616 0.529 1.00 0.00 H new ATOM 0 HG SER A 5 -17.601 -11.618 1.485 1.00 0.00 H new ATOM 48 N SER A 6 -13.625 -8.852 -1.261 1.00 0.00 N ATOM 49 CA SER A 6 -12.276 -8.927 -1.795 1.00 0.00 C ATOM 50 C SER A 6 -11.565 -7.585 -1.610 1.00 0.00 C ATOM 51 O SER A 6 -12.149 -6.530 -1.852 1.00 0.00 O ATOM 52 CB SER A 6 -12.290 -9.321 -3.274 1.00 0.00 C ATOM 53 OG SER A 6 -11.022 -9.802 -3.710 1.00 0.00 O ATOM 0 H SER A 6 -13.970 -7.905 -1.104 1.00 0.00 H new ATOM 0 HA SER A 6 -11.733 -9.697 -1.247 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.045 -10.090 -3.437 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.577 -8.459 -3.876 1.00 0.00 H new ATOM 0 HG SER A 6 -11.073 -10.045 -4.658 1.00 0.00 H new ATOM 59 N GLY A 7 -10.313 -7.670 -1.183 1.00 0.00 N ATOM 60 CA GLY A 7 -9.516 -6.475 -0.962 1.00 0.00 C ATOM 61 C GLY A 7 -8.824 -6.521 0.402 1.00 0.00 C ATOM 62 O GLY A 7 -9.478 -6.706 1.427 1.00 0.00 O ATOM 0 H GLY A 7 -9.832 -8.547 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.769 -6.381 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.153 -5.593 -1.021 1.00 0.00 H new ATOM 66 N ARG A 8 -7.511 -6.350 0.370 1.00 0.00 N ATOM 67 CA ARG A 8 -6.724 -6.370 1.591 1.00 0.00 C ATOM 68 C ARG A 8 -6.317 -4.948 1.983 1.00 0.00 C ATOM 69 O ARG A 8 -6.331 -4.043 1.151 1.00 0.00 O ATOM 70 CB ARG A 8 -5.466 -7.225 1.421 1.00 0.00 C ATOM 71 CG ARG A 8 -5.790 -8.712 1.572 1.00 0.00 C ATOM 72 CD ARG A 8 -4.512 -9.536 1.747 1.00 0.00 C ATOM 73 NE ARG A 8 -4.856 -10.940 2.068 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.956 -11.877 2.396 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.653 -11.567 2.447 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.358 -13.125 2.672 1.00 0.00 N ATOM 0 H ARG A 8 -6.972 -6.197 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.341 -6.805 2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.028 -7.042 0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.721 -6.934 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.443 -8.860 2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.334 -9.060 0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.917 -9.498 0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.901 -9.111 2.544 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.839 -11.211 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.346 -10.617 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.968 -12.281 2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.349 -13.362 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.673 -13.838 2.922 1.00 0.00 H new ATOM 90 N ARG A 9 -5.963 -4.797 3.251 1.00 0.00 N ATOM 91 CA ARG A 9 -5.553 -3.500 3.764 1.00 0.00 C ATOM 92 C ARG A 9 -4.185 -3.606 4.440 1.00 0.00 C ATOM 93 O ARG A 9 -3.888 -4.604 5.095 1.00 0.00 O ATOM 94 CB ARG A 9 -6.571 -2.959 4.770 1.00 0.00 C ATOM 95 CG ARG A 9 -7.628 -2.101 4.072 1.00 0.00 C ATOM 96 CD ARG A 9 -8.894 -1.989 4.925 1.00 0.00 C ATOM 97 NE ARG A 9 -10.085 -1.898 4.052 1.00 0.00 N ATOM 98 CZ ARG A 9 -11.339 -2.123 4.467 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.573 -2.454 5.744 1.00 0.00 N ATOM 100 NH2 ARG A 9 -12.360 -2.018 3.605 1.00 0.00 N ATOM 0 H ARG A 9 -5.952 -5.551 3.938 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.493 -2.813 2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.054 -3.789 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.059 -2.366 5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.225 -1.106 3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.875 -2.537 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.979 -2.856 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.834 -1.109 5.566 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.943 -1.648 3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.796 -2.535 6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.528 -2.625 6.060 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.183 -1.767 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.314 -2.189 3.922 1.00 0.00 H new ATOM 114 N CYS A 10 -3.388 -2.563 4.257 1.00 0.00 N ATOM 115 CA CYS A 10 -2.058 -2.526 4.841 1.00 0.00 C ATOM 116 C CYS A 10 -1.700 -1.066 5.127 1.00 0.00 C ATOM 117 O CYS A 10 -2.170 -0.162 4.439 1.00 0.00 O ATOM 118 CB CYS A 10 -1.024 -3.201 3.938 1.00 0.00 C ATOM 119 SG CYS A 10 -1.624 -4.852 3.425 1.00 0.00 S ATOM 0 H CYS A 10 -3.638 -1.737 3.713 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.052 -3.090 5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.838 -2.583 3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.075 -3.298 4.466 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.500 -5.282 4.284 1.00 0.00 H new ATOM 125 N GLN A 11 -0.870 -0.883 6.144 1.00 0.00 N ATOM 126 CA GLN A 11 -0.443 0.452 6.529 1.00 0.00 C ATOM 127 C GLN A 11 0.992 0.705 6.063 1.00 0.00 C ATOM 128 O GLN A 11 1.712 -0.232 5.721 1.00 0.00 O ATOM 129 CB GLN A 11 -0.572 0.654 8.040 1.00 0.00 C ATOM 130 CG GLN A 11 -0.833 2.124 8.376 1.00 0.00 C ATOM 131 CD GLN A 11 -1.725 2.254 9.612 1.00 0.00 C ATOM 132 OE1 GLN A 11 -2.026 1.289 10.297 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.130 3.496 9.859 1.00 0.00 N ATOM 0 H GLN A 11 -0.482 -1.636 6.712 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.096 1.176 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.386 0.039 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.340 0.321 8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.114 2.634 8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.308 2.616 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.841 4.258 9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.729 3.687 10.662 1.00 0.00 H new ATOM 142 N VAL A 12 1.366 1.976 6.065 1.00 0.00 N ATOM 143 CA VAL A 12 2.702 2.365 5.647 1.00 0.00 C ATOM 144 C VAL A 12 3.563 2.627 6.884 1.00 0.00 C ATOM 145 O VAL A 12 3.132 3.313 7.810 1.00 0.00 O ATOM 146 CB VAL A 12 2.626 3.568 4.705 1.00 0.00 C ATOM 147 CG1 VAL A 12 4.018 4.145 4.440 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.929 3.196 3.395 1.00 0.00 C ATOM 0 H VAL A 12 0.766 2.750 6.350 1.00 0.00 H new ATOM 0 HA VAL A 12 3.176 1.560 5.086 1.00 0.00 H new ATOM 0 HB VAL A 12 2.031 4.339 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.936 4.999 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.464 4.466 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.647 3.382 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.888 4.069 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.485 2.400 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.916 2.854 3.606 1.00 0.00 H new ATOM 158 N ALA A 13 4.764 2.068 6.860 1.00 0.00 N ATOM 159 CA ALA A 13 5.689 2.234 7.968 1.00 0.00 C ATOM 160 C ALA A 13 6.836 3.150 7.537 1.00 0.00 C ATOM 161 O ALA A 13 7.575 3.661 8.376 1.00 0.00 O ATOM 162 CB ALA A 13 6.181 0.861 8.431 1.00 0.00 C ATOM 0 H ALA A 13 5.118 1.500 6.091 1.00 0.00 H new ATOM 0 HA ALA A 13 5.192 2.706 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.875 0.985 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.331 0.260 8.754 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.688 0.359 7.607 1.00 0.00 H new ATOM 168 N PHE A 14 6.948 3.329 6.229 1.00 0.00 N ATOM 169 CA PHE A 14 7.992 4.175 5.676 1.00 0.00 C ATOM 170 C PHE A 14 7.431 5.107 4.600 1.00 0.00 C ATOM 171 O PHE A 14 6.670 4.675 3.736 1.00 0.00 O ATOM 172 CB PHE A 14 9.029 3.247 5.040 1.00 0.00 C ATOM 173 CG PHE A 14 9.327 1.991 5.861 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.416 0.983 5.916 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.502 1.882 6.537 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.692 -0.183 6.678 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.778 0.716 7.299 1.00 0.00 C ATOM 178 CZ PHE A 14 9.867 -0.292 7.353 1.00 0.00 C ATOM 0 H PHE A 14 6.333 2.903 5.536 1.00 0.00 H new ATOM 0 HA PHE A 14 8.426 4.792 6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.677 2.948 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.956 3.801 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.482 1.069 5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.226 2.683 6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.968 -0.983 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.711 0.630 7.836 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.077 -1.179 7.932 1.00 0.00 H new ATOM 188 N SER A 15 7.829 6.367 4.688 1.00 0.00 N ATOM 189 CA SER A 15 7.376 7.364 3.732 1.00 0.00 C ATOM 190 C SER A 15 7.993 7.091 2.359 1.00 0.00 C ATOM 191 O SER A 15 9.152 6.688 2.265 1.00 0.00 O ATOM 192 CB SER A 15 7.727 8.777 4.201 1.00 0.00 C ATOM 193 OG SER A 15 9.136 8.984 4.264 1.00 0.00 O ATOM 0 H SER A 15 8.460 6.721 5.407 1.00 0.00 H new ATOM 0 HA SER A 15 6.291 7.296 3.655 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.284 9.505 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.291 8.951 5.184 1.00 0.00 H new ATOM 0 HG SER A 15 9.319 9.898 4.566 1.00 0.00 H new ATOM 199 N TYR A 16 7.193 7.323 1.329 1.00 0.00 N ATOM 200 CA TYR A 16 7.647 7.107 -0.034 1.00 0.00 C ATOM 201 C TYR A 16 7.082 8.174 -0.975 1.00 0.00 C ATOM 202 O TYR A 16 5.878 8.426 -0.982 1.00 0.00 O ATOM 203 CB TYR A 16 7.101 5.739 -0.449 1.00 0.00 C ATOM 204 CG TYR A 16 7.388 5.371 -1.906 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.587 5.868 -2.914 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.447 4.541 -2.212 1.00 0.00 C ATOM 207 CE1 TYR A 16 6.857 5.522 -4.285 1.00 0.00 C ATOM 208 CE2 TYR A 16 8.717 4.194 -3.584 1.00 0.00 C ATOM 209 CZ TYR A 16 7.908 4.702 -4.552 1.00 0.00 C ATOM 210 OH TYR A 16 8.163 4.374 -5.848 1.00 0.00 O ATOM 0 H TYR A 16 6.233 7.658 1.411 1.00 0.00 H new ATOM 0 HA TYR A 16 8.734 7.158 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.531 4.976 0.199 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.023 5.725 -0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.757 6.517 -2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.073 4.152 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.239 5.905 -5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.543 3.546 -3.838 1.00 0.00 H new ATOM 0 HH TYR A 16 7.522 3.695 -6.146 1.00 0.00 H new ATOM 220 N LEU A 17 7.979 8.772 -1.745 1.00 0.00 N ATOM 221 CA LEU A 17 7.586 9.806 -2.687 1.00 0.00 C ATOM 222 C LEU A 17 7.558 9.219 -4.100 1.00 0.00 C ATOM 223 O LEU A 17 8.516 8.578 -4.528 1.00 0.00 O ATOM 224 CB LEU A 17 8.492 11.031 -2.548 1.00 0.00 C ATOM 225 CG LEU A 17 8.413 11.776 -1.214 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.238 12.757 -1.204 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.351 10.796 -0.041 1.00 0.00 C ATOM 0 H LEU A 17 8.977 8.560 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 17 6.578 10.158 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.523 10.715 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.248 11.731 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 17 9.324 12.362 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.204 13.274 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.366 13.486 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.307 12.211 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.295 11.352 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.468 10.164 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.245 10.173 -0.040 1.00 0.00 H new ATOM 239 N PRO A 18 6.420 9.465 -4.802 1.00 0.00 N ATOM 240 CA PRO A 18 6.255 8.968 -6.158 1.00 0.00 C ATOM 241 C PRO A 18 7.084 9.789 -7.147 1.00 0.00 C ATOM 242 O PRO A 18 6.846 10.983 -7.323 1.00 0.00 O ATOM 243 CB PRO A 18 4.761 9.048 -6.426 1.00 0.00 C ATOM 244 CG PRO A 18 4.202 10.013 -5.394 1.00 0.00 C ATOM 245 CD PRO A 18 5.265 10.221 -4.327 1.00 0.00 C ATOM 0 HA PRO A 18 6.614 7.946 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.564 9.402 -7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.295 8.067 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.939 10.962 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.290 9.613 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.505 11.278 -4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.927 9.859 -3.356 1.00 0.00 H new ATOM 253 N GLN A 19 8.042 9.115 -7.768 1.00 0.00 N ATOM 254 CA GLN A 19 8.908 9.767 -8.736 1.00 0.00 C ATOM 255 C GLN A 19 8.196 9.895 -10.085 1.00 0.00 C ATOM 256 O GLN A 19 8.792 10.338 -11.065 1.00 0.00 O ATOM 257 CB GLN A 19 10.231 9.012 -8.883 1.00 0.00 C ATOM 258 CG GLN A 19 10.735 8.519 -7.526 1.00 0.00 C ATOM 259 CD GLN A 19 12.166 8.995 -7.267 1.00 0.00 C ATOM 260 OE1 GLN A 19 12.798 9.625 -8.098 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.640 8.658 -6.070 1.00 0.00 N ATOM 0 H GLN A 19 8.237 8.125 -7.620 1.00 0.00 H new ATOM 0 HA GLN A 19 9.137 10.769 -8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.097 8.164 -9.555 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.977 9.664 -9.337 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.078 8.883 -6.736 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.699 7.430 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.057 8.129 -5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.586 8.928 -5.801 1.00 0.00 H new ATOM 270 N ASN A 20 6.932 9.497 -10.090 1.00 0.00 N ATOM 271 CA ASN A 20 6.133 9.562 -11.302 1.00 0.00 C ATOM 272 C ASN A 20 4.704 9.974 -10.944 1.00 0.00 C ATOM 273 O ASN A 20 4.375 10.129 -9.769 1.00 0.00 O ATOM 274 CB ASN A 20 6.073 8.199 -11.995 1.00 0.00 C ATOM 275 CG ASN A 20 7.475 7.618 -12.185 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.398 8.286 -12.620 1.00 0.00 O ATOM 277 ND2 ASN A 20 7.582 6.339 -11.837 1.00 0.00 N ATOM 0 H ASN A 20 6.442 9.129 -9.275 1.00 0.00 H new ATOM 0 HA ASN A 20 6.594 10.287 -11.972 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.468 7.512 -11.403 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.583 8.301 -12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.477 5.859 -11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.769 5.838 -11.479 1.00 0.00 H new ATOM 284 N ASP A 21 3.893 10.140 -11.979 1.00 0.00 N ATOM 285 CA ASP A 21 2.507 10.531 -11.788 1.00 0.00 C ATOM 286 C ASP A 21 1.613 9.293 -11.892 1.00 0.00 C ATOM 287 O ASP A 21 0.473 9.383 -12.344 1.00 0.00 O ATOM 288 CB ASP A 21 2.063 11.526 -12.862 1.00 0.00 C ATOM 289 CG ASP A 21 2.501 12.972 -12.624 1.00 0.00 C ATOM 290 OD1 ASP A 21 3.254 13.184 -11.650 1.00 0.00 O ATOM 291 OD2 ASP A 21 2.073 13.834 -13.423 1.00 0.00 O ATOM 0 H ASP A 21 4.170 10.011 -12.952 1.00 0.00 H new ATOM 0 HA ASP A 21 2.420 10.997 -10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.455 11.197 -13.825 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.976 11.499 -12.934 1.00 0.00 H new ATOM 296 N ASP A 22 2.165 8.167 -11.466 1.00 0.00 N ATOM 297 CA ASP A 22 1.432 6.913 -11.505 1.00 0.00 C ATOM 298 C ASP A 22 1.829 6.057 -10.300 1.00 0.00 C ATOM 299 O ASP A 22 1.600 4.849 -10.290 1.00 0.00 O ATOM 300 CB ASP A 22 1.760 6.123 -12.774 1.00 0.00 C ATOM 301 CG ASP A 22 0.573 5.391 -13.404 1.00 0.00 C ATOM 302 OD1 ASP A 22 -0.399 6.090 -13.764 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.664 4.149 -13.512 1.00 0.00 O ATOM 0 H ASP A 22 3.111 8.097 -11.092 1.00 0.00 H new ATOM 0 HA ASP A 22 0.367 7.144 -11.489 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.179 6.807 -13.512 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.535 5.393 -12.540 1.00 0.00 H new ATOM 308 N GLU A 23 2.417 6.718 -9.314 1.00 0.00 N ATOM 309 CA GLU A 23 2.848 6.033 -8.107 1.00 0.00 C ATOM 310 C GLU A 23 2.069 6.550 -6.896 1.00 0.00 C ATOM 311 O GLU A 23 1.331 7.529 -7.000 1.00 0.00 O ATOM 312 CB GLU A 23 4.356 6.189 -7.896 1.00 0.00 C ATOM 313 CG GLU A 23 5.124 5.049 -8.568 1.00 0.00 C ATOM 314 CD GLU A 23 6.243 4.534 -7.661 1.00 0.00 C ATOM 315 OE1 GLU A 23 5.904 4.055 -6.557 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.413 4.630 -8.091 1.00 0.00 O ATOM 0 H GLU A 23 2.605 7.720 -9.326 1.00 0.00 H new ATOM 0 HA GLU A 23 2.639 4.970 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.687 7.145 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.578 6.203 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.439 4.235 -8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.546 5.396 -9.511 1.00 0.00 H new ATOM 323 N LEU A 24 2.259 5.869 -5.776 1.00 0.00 N ATOM 324 CA LEU A 24 1.582 6.247 -4.546 1.00 0.00 C ATOM 325 C LEU A 24 2.551 7.029 -3.656 1.00 0.00 C ATOM 326 O LEU A 24 3.756 6.783 -3.678 1.00 0.00 O ATOM 327 CB LEU A 24 0.979 5.017 -3.866 1.00 0.00 C ATOM 328 CG LEU A 24 -0.335 4.501 -4.456 1.00 0.00 C ATOM 329 CD1 LEU A 24 -0.944 3.414 -3.569 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.312 5.651 -4.708 1.00 0.00 C ATOM 0 H LEU A 24 2.872 5.058 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 24 0.742 6.907 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.712 4.211 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.815 5.252 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.120 4.045 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.877 3.064 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.247 2.580 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.142 3.822 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.238 5.257 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.527 6.159 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.868 6.358 -5.409 1.00 0.00 H new ATOM 342 N GLU A 25 1.988 7.955 -2.895 1.00 0.00 N ATOM 343 CA GLU A 25 2.787 8.775 -1.999 1.00 0.00 C ATOM 344 C GLU A 25 2.578 8.334 -0.549 1.00 0.00 C ATOM 345 O GLU A 25 1.604 8.729 0.090 1.00 0.00 O ATOM 346 CB GLU A 25 2.458 10.259 -2.174 1.00 0.00 C ATOM 347 CG GLU A 25 3.202 11.110 -1.144 1.00 0.00 C ATOM 348 CD GLU A 25 2.876 12.595 -1.321 1.00 0.00 C ATOM 349 OE1 GLU A 25 1.754 12.980 -0.930 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.758 13.311 -1.844 1.00 0.00 O ATOM 0 H GLU A 25 0.988 8.156 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 25 3.838 8.638 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.729 10.579 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.384 10.412 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.929 10.791 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.276 10.955 -1.247 1.00 0.00 H new ATOM 357 N LEU A 26 3.509 7.521 -0.071 1.00 0.00 N ATOM 358 CA LEU A 26 3.440 7.023 1.292 1.00 0.00 C ATOM 359 C LEU A 26 3.978 8.088 2.248 1.00 0.00 C ATOM 360 O LEU A 26 4.984 8.735 1.960 1.00 0.00 O ATOM 361 CB LEU A 26 4.155 5.675 1.407 1.00 0.00 C ATOM 362 CG LEU A 26 3.964 4.713 0.233 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.014 3.600 0.261 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.539 4.157 0.205 1.00 0.00 C ATOM 0 H LEU A 26 4.315 7.195 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 26 2.405 6.834 1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.222 5.861 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.812 5.181 2.316 1.00 0.00 H new ATOM 0 HG LEU A 26 4.109 5.270 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.856 2.930 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.010 4.038 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.925 3.039 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.431 3.476 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.340 3.620 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.830 4.978 0.102 1.00 0.00 H new ATOM 376 N LYS A 27 3.286 8.238 3.368 1.00 0.00 N ATOM 377 CA LYS A 27 3.682 9.214 4.368 1.00 0.00 C ATOM 378 C LYS A 27 3.600 8.577 5.757 1.00 0.00 C ATOM 379 O LYS A 27 3.080 9.183 6.692 1.00 0.00 O ATOM 380 CB LYS A 27 2.853 10.492 4.228 1.00 0.00 C ATOM 381 CG LYS A 27 1.487 10.194 3.606 1.00 0.00 C ATOM 382 CD LYS A 27 0.419 11.148 4.144 1.00 0.00 C ATOM 383 CE LYS A 27 -0.039 12.126 3.061 1.00 0.00 C ATOM 384 NZ LYS A 27 -0.514 13.389 3.669 1.00 0.00 N ATOM 0 H LYS A 27 2.453 7.699 3.605 1.00 0.00 H new ATOM 0 HA LYS A 27 4.718 9.516 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.718 10.951 5.207 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.389 11.212 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.549 10.287 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.202 9.164 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.435 10.576 4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.816 11.702 4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.784 12.332 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.838 11.677 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.821 14.041 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.314 13.190 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.258 13.825 4.212 1.00 0.00 H new ATOM 398 N VAL A 28 4.122 7.362 5.847 1.00 0.00 N ATOM 399 CA VAL A 28 4.114 6.636 7.106 1.00 0.00 C ATOM 400 C VAL A 28 2.804 6.919 7.845 1.00 0.00 C ATOM 401 O VAL A 28 2.697 7.907 8.569 1.00 0.00 O ATOM 402 CB VAL A 28 5.354 6.998 7.926 1.00 0.00 C ATOM 403 CG1 VAL A 28 5.125 6.725 9.415 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.587 6.252 7.415 1.00 0.00 C ATOM 0 H VAL A 28 4.553 6.862 5.069 1.00 0.00 H new ATOM 0 HA VAL A 28 4.161 5.562 6.928 1.00 0.00 H new ATOM 0 HB VAL A 28 5.536 8.066 7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.021 6.991 9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.285 7.322 9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.906 5.667 9.561 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.454 6.528 8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.420 5.178 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.768 6.518 6.374 1.00 0.00 H new ATOM 414 N GLY A 29 1.841 6.033 7.636 1.00 0.00 N ATOM 415 CA GLY A 29 0.543 6.175 8.274 1.00 0.00 C ATOM 416 C GLY A 29 -0.573 6.263 7.231 1.00 0.00 C ATOM 417 O GLY A 29 -1.530 7.016 7.403 1.00 0.00 O ATOM 0 H GLY A 29 1.934 5.215 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.363 5.326 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.536 7.070 8.896 1.00 0.00 H new ATOM 421 N ASP A 30 -0.412 5.484 6.172 1.00 0.00 N ATOM 422 CA ASP A 30 -1.395 5.465 5.101 1.00 0.00 C ATOM 423 C ASP A 30 -1.908 4.036 4.911 1.00 0.00 C ATOM 424 O ASP A 30 -1.137 3.080 4.988 1.00 0.00 O ATOM 425 CB ASP A 30 -0.777 5.925 3.779 1.00 0.00 C ATOM 426 CG ASP A 30 -0.801 7.436 3.546 1.00 0.00 C ATOM 427 OD1 ASP A 30 -1.280 8.144 4.458 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.340 7.851 2.460 1.00 0.00 O ATOM 0 H ASP A 30 0.384 4.861 6.032 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.206 6.140 5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.257 5.583 3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.305 5.438 2.959 1.00 0.00 H new ATOM 433 N ILE A 31 -3.206 3.935 4.666 1.00 0.00 N ATOM 434 CA ILE A 31 -3.831 2.639 4.465 1.00 0.00 C ATOM 435 C ILE A 31 -4.162 2.462 2.982 1.00 0.00 C ATOM 436 O ILE A 31 -5.025 3.156 2.447 1.00 0.00 O ATOM 437 CB ILE A 31 -5.041 2.479 5.388 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.627 2.580 6.857 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.788 1.177 5.091 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.720 2.026 7.774 1.00 0.00 C ATOM 0 H ILE A 31 -3.842 4.730 4.602 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.143 1.838 4.737 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.732 3.299 5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.700 2.029 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.427 3.621 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.643 1.087 5.761 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.135 1.184 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.118 0.331 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.400 2.110 8.813 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.639 2.595 7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.901 0.978 7.533 1.00 0.00 H new ATOM 452 N ILE A 32 -3.457 1.529 2.358 1.00 0.00 N ATOM 453 CA ILE A 32 -3.664 1.252 0.947 1.00 0.00 C ATOM 454 C ILE A 32 -4.503 -0.019 0.799 1.00 0.00 C ATOM 455 O ILE A 32 -4.041 -1.113 1.121 1.00 0.00 O ATOM 456 CB ILE A 32 -2.325 1.195 0.210 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.725 2.593 0.052 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.469 0.477 -1.134 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.276 2.628 0.542 1.00 0.00 C ATOM 0 H ILE A 32 -2.742 0.955 2.804 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.225 2.061 0.478 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.628 0.613 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.766 2.894 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.320 3.313 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.503 0.450 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.819 -0.542 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.188 1.010 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.126 3.634 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.241 2.351 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.321 1.925 -0.038 1.00 0.00 H new ATOM 471 N GLU A 33 -5.721 0.167 0.313 1.00 0.00 N ATOM 472 CA GLU A 33 -6.628 -0.951 0.118 1.00 0.00 C ATOM 473 C GLU A 33 -6.097 -1.882 -0.973 1.00 0.00 C ATOM 474 O GLU A 33 -6.560 -1.838 -2.112 1.00 0.00 O ATOM 475 CB GLU A 33 -8.038 -0.461 -0.218 1.00 0.00 C ATOM 476 CG GLU A 33 -8.998 -0.713 0.947 1.00 0.00 C ATOM 477 CD GLU A 33 -10.454 -0.612 0.488 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.971 -1.644 0.009 1.00 0.00 O ATOM 479 OE2 GLU A 33 -11.018 0.495 0.628 1.00 0.00 O ATOM 0 H GLU A 33 -6.101 1.076 0.048 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.686 -1.513 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.012 0.604 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.401 -0.971 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.813 -1.701 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.812 0.011 1.740 1.00 0.00 H new ATOM 486 N VAL A 34 -5.131 -2.703 -0.588 1.00 0.00 N ATOM 487 CA VAL A 34 -4.532 -3.644 -1.519 1.00 0.00 C ATOM 488 C VAL A 34 -5.615 -4.195 -2.448 1.00 0.00 C ATOM 489 O VAL A 34 -6.513 -4.910 -2.006 1.00 0.00 O ATOM 490 CB VAL A 34 -3.788 -4.739 -0.752 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.188 -5.769 -1.710 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.711 -4.139 0.154 1.00 0.00 C ATOM 0 H VAL A 34 -4.748 -2.736 0.357 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.792 -3.144 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.510 -5.253 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.665 -6.536 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.985 -6.231 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.486 -5.275 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.197 -4.939 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.992 -3.587 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.175 -3.463 0.872 1.00 0.00 H new ATOM 502 N VAL A 35 -5.495 -3.842 -3.720 1.00 0.00 N ATOM 503 CA VAL A 35 -6.453 -4.292 -4.715 1.00 0.00 C ATOM 504 C VAL A 35 -5.850 -5.454 -5.508 1.00 0.00 C ATOM 505 O VAL A 35 -6.502 -6.477 -5.709 1.00 0.00 O ATOM 506 CB VAL A 35 -6.876 -3.119 -5.602 1.00 0.00 C ATOM 507 CG1 VAL A 35 -5.735 -2.693 -6.528 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.133 -3.464 -6.403 1.00 0.00 C ATOM 0 H VAL A 35 -4.749 -3.250 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.359 -4.662 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.113 -2.276 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.062 -1.858 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.876 -2.387 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.453 -3.530 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.413 -2.614 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.935 -4.328 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.949 -3.696 -5.718 1.00 0.00 H new ATOM 518 N GLY A 36 -4.611 -5.257 -5.936 1.00 0.00 N ATOM 519 CA GLY A 36 -3.913 -6.275 -6.701 1.00 0.00 C ATOM 520 C GLY A 36 -2.401 -6.178 -6.492 1.00 0.00 C ATOM 521 O GLY A 36 -1.938 -5.478 -5.592 1.00 0.00 O ATOM 0 H GLY A 36 -4.073 -4.407 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.262 -7.263 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.145 -6.162 -7.760 1.00 0.00 H new ATOM 525 N GLU A 37 -1.671 -6.891 -7.338 1.00 0.00 N ATOM 526 CA GLU A 37 -0.221 -6.894 -7.257 1.00 0.00 C ATOM 527 C GLU A 37 0.389 -6.760 -8.654 1.00 0.00 C ATOM 528 O GLU A 37 0.018 -7.492 -9.570 1.00 0.00 O ATOM 529 CB GLU A 37 0.287 -8.155 -6.555 1.00 0.00 C ATOM 530 CG GLU A 37 1.786 -8.349 -6.792 1.00 0.00 C ATOM 531 CD GLU A 37 2.038 -9.332 -7.937 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.678 -10.516 -7.759 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.584 -8.877 -8.965 1.00 0.00 O ATOM 0 H GLU A 37 -2.058 -7.471 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 37 0.092 -6.036 -6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.091 -8.084 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.258 -9.024 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.248 -7.389 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.257 -8.718 -5.881 1.00 0.00 H new ATOM 540 N VAL A 38 1.316 -5.820 -8.773 1.00 0.00 N ATOM 541 CA VAL A 38 1.981 -5.582 -10.043 1.00 0.00 C ATOM 542 C VAL A 38 3.045 -6.658 -10.266 1.00 0.00 C ATOM 543 O VAL A 38 2.868 -7.548 -11.097 1.00 0.00 O ATOM 544 CB VAL A 38 2.549 -4.162 -10.076 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.807 -3.708 -11.515 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.624 -3.183 -9.350 1.00 0.00 C ATOM 0 H VAL A 38 1.622 -5.215 -8.011 1.00 0.00 H new ATOM 0 HA VAL A 38 1.271 -5.653 -10.867 1.00 0.00 H new ATOM 0 HB VAL A 38 3.504 -4.172 -9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.210 -2.695 -11.510 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.523 -4.382 -11.986 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.872 -3.723 -12.075 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.052 -2.181 -9.389 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.647 -3.179 -9.833 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.513 -3.490 -8.310 1.00 0.00 H new ATOM 556 N GLU A 39 4.127 -6.541 -9.510 1.00 0.00 N ATOM 557 CA GLU A 39 5.220 -7.492 -9.615 1.00 0.00 C ATOM 558 C GLU A 39 5.828 -7.757 -8.236 1.00 0.00 C ATOM 559 O GLU A 39 5.583 -7.008 -7.292 1.00 0.00 O ATOM 560 CB GLU A 39 6.284 -6.999 -10.598 1.00 0.00 C ATOM 561 CG GLU A 39 6.652 -5.540 -10.320 1.00 0.00 C ATOM 562 CD GLU A 39 7.411 -4.932 -11.501 1.00 0.00 C ATOM 563 OE1 GLU A 39 7.848 -5.724 -12.364 1.00 0.00 O ATOM 564 OE2 GLU A 39 7.537 -3.688 -11.515 1.00 0.00 O ATOM 0 H GLU A 39 4.270 -5.802 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 39 4.823 -8.431 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.174 -7.624 -10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.915 -7.097 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.747 -4.963 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.264 -5.481 -9.420 1.00 0.00 H new ATOM 571 N GLU A 40 6.608 -8.825 -8.164 1.00 0.00 N ATOM 572 CA GLU A 40 7.253 -9.198 -6.917 1.00 0.00 C ATOM 573 C GLU A 40 7.920 -7.978 -6.279 1.00 0.00 C ATOM 574 O GLU A 40 8.801 -7.364 -6.878 1.00 0.00 O ATOM 575 CB GLU A 40 8.265 -10.324 -7.138 1.00 0.00 C ATOM 576 CG GLU A 40 8.578 -11.045 -5.825 1.00 0.00 C ATOM 577 CD GLU A 40 10.088 -11.114 -5.585 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.608 -10.161 -4.965 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.687 -12.118 -6.025 1.00 0.00 O ATOM 0 H GLU A 40 6.808 -9.444 -8.949 1.00 0.00 H new ATOM 0 HA GLU A 40 6.490 -9.570 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.870 -11.036 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.183 -9.915 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.098 -10.525 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.164 -12.053 -5.851 1.00 0.00 H new ATOM 586 N GLY A 41 7.476 -7.665 -5.071 1.00 0.00 N ATOM 587 CA GLY A 41 8.019 -6.529 -4.345 1.00 0.00 C ATOM 588 C GLY A 41 7.161 -5.281 -4.558 1.00 0.00 C ATOM 589 O GLY A 41 7.289 -4.302 -3.824 1.00 0.00 O ATOM 0 H GLY A 41 6.746 -8.178 -4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.069 -6.763 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.039 -6.334 -4.677 1.00 0.00 H new ATOM 593 N TRP A 42 6.304 -5.355 -5.566 1.00 0.00 N ATOM 594 CA TRP A 42 5.425 -4.243 -5.885 1.00 0.00 C ATOM 595 C TRP A 42 3.986 -4.762 -5.882 1.00 0.00 C ATOM 596 O TRP A 42 3.687 -5.777 -6.509 1.00 0.00 O ATOM 597 CB TRP A 42 5.823 -3.592 -7.211 1.00 0.00 C ATOM 598 CG TRP A 42 7.126 -2.794 -7.146 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.381 -3.251 -7.261 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.254 -1.370 -6.944 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.303 -2.231 -7.149 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.596 -1.051 -6.950 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.267 -0.385 -6.762 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.075 0.253 -6.779 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.762 0.913 -6.593 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.110 1.251 -6.596 1.00 0.00 C ATOM 0 H TRP A 42 6.200 -6.168 -6.173 1.00 0.00 H new ATOM 0 HA TRP A 42 5.513 -3.455 -5.137 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.922 -4.368 -7.970 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.020 -2.930 -7.535 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.638 -4.288 -7.421 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.317 -2.325 -7.202 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.211 -0.612 -6.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.131 0.477 -6.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.046 1.708 -6.450 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.412 2.279 -6.458 1.00 0.00 H new ATOM 617 N TRP A 43 3.132 -4.043 -5.168 1.00 0.00 N ATOM 618 CA TRP A 43 1.732 -4.418 -5.075 1.00 0.00 C ATOM 619 C TRP A 43 0.896 -3.270 -5.643 1.00 0.00 C ATOM 620 O TRP A 43 1.433 -2.220 -5.992 1.00 0.00 O ATOM 621 CB TRP A 43 1.355 -4.778 -3.637 1.00 0.00 C ATOM 622 CG TRP A 43 1.911 -6.123 -3.165 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.514 -7.069 -3.898 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.891 -6.636 -1.817 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.883 -8.150 -3.124 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.492 -7.879 -1.818 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.382 -6.070 -0.635 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.641 -8.660 -0.666 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.538 -6.863 0.508 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.141 -8.116 0.524 1.00 0.00 C ATOM 0 H TRP A 43 3.383 -3.202 -4.648 1.00 0.00 H new ATOM 0 HA TRP A 43 1.534 -5.316 -5.661 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.715 -3.994 -2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.269 -4.795 -3.551 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.689 -6.995 -4.961 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.356 -8.993 -3.450 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.908 -5.100 -0.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.116 -9.630 -0.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.164 -6.474 1.443 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.223 -8.667 1.449 1.00 0.00 H new ATOM 641 N GLU A 44 -0.406 -3.508 -5.718 1.00 0.00 N ATOM 642 CA GLU A 44 -1.321 -2.506 -6.237 1.00 0.00 C ATOM 643 C GLU A 44 -2.475 -2.283 -5.257 1.00 0.00 C ATOM 644 O GLU A 44 -3.147 -3.232 -4.857 1.00 0.00 O ATOM 645 CB GLU A 44 -1.844 -2.905 -7.618 1.00 0.00 C ATOM 646 CG GLU A 44 -2.367 -1.685 -8.380 1.00 0.00 C ATOM 647 CD GLU A 44 -2.437 -1.965 -9.883 1.00 0.00 C ATOM 648 OE1 GLU A 44 -3.449 -2.567 -10.301 1.00 0.00 O ATOM 649 OE2 GLU A 44 -1.476 -1.572 -10.579 1.00 0.00 O ATOM 0 H GLU A 44 -0.848 -4.380 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.777 -1.568 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.047 -3.381 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.641 -3.640 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.357 -1.418 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.716 -0.830 -8.196 1.00 0.00 H new ATOM 656 N GLY A 45 -2.670 -1.022 -4.899 1.00 0.00 N ATOM 657 CA GLY A 45 -3.731 -0.662 -3.974 1.00 0.00 C ATOM 658 C GLY A 45 -4.197 0.776 -4.208 1.00 0.00 C ATOM 659 O GLY A 45 -3.786 1.417 -5.174 1.00 0.00 O ATOM 0 H GLY A 45 -2.111 -0.237 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.572 -1.345 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.377 -0.771 -2.949 1.00 0.00 H new ATOM 663 N VAL A 46 -5.050 1.242 -3.307 1.00 0.00 N ATOM 664 CA VAL A 46 -5.577 2.593 -3.403 1.00 0.00 C ATOM 665 C VAL A 46 -5.174 3.382 -2.156 1.00 0.00 C ATOM 666 O VAL A 46 -5.394 2.931 -1.033 1.00 0.00 O ATOM 667 CB VAL A 46 -7.091 2.549 -3.620 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.766 3.785 -3.022 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.427 2.405 -5.105 1.00 0.00 C ATOM 0 H VAL A 46 -5.389 0.708 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.153 3.109 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.479 1.672 -3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.842 3.729 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.567 3.826 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.371 4.682 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.509 2.376 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.020 3.254 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.992 1.482 -5.489 1.00 0.00 H new ATOM 679 N LEU A 47 -4.591 4.548 -2.395 1.00 0.00 N ATOM 680 CA LEU A 47 -4.156 5.405 -1.305 1.00 0.00 C ATOM 681 C LEU A 47 -5.159 6.545 -1.127 1.00 0.00 C ATOM 682 O LEU A 47 -5.247 7.438 -1.969 1.00 0.00 O ATOM 683 CB LEU A 47 -2.720 5.880 -1.538 1.00 0.00 C ATOM 684 CG LEU A 47 -2.189 6.919 -0.549 1.00 0.00 C ATOM 685 CD1 LEU A 47 -1.967 6.299 0.832 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.923 7.590 -1.086 1.00 0.00 C ATOM 0 H LEU A 47 -4.410 4.919 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.136 4.849 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.062 5.011 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.655 6.297 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.943 7.698 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.589 7.059 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.911 5.907 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.242 5.488 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.566 8.324 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.153 6.836 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.147 8.088 -2.029 1.00 0.00 H new ATOM 698 N ASN A 48 -5.892 6.479 -0.025 1.00 0.00 N ATOM 699 CA ASN A 48 -6.886 7.496 0.275 1.00 0.00 C ATOM 700 C ASN A 48 -7.745 7.744 -0.967 1.00 0.00 C ATOM 701 O ASN A 48 -8.331 8.815 -1.116 1.00 0.00 O ATOM 702 CB ASN A 48 -6.222 8.818 0.663 1.00 0.00 C ATOM 703 CG ASN A 48 -5.591 9.493 -0.556 1.00 0.00 C ATOM 704 OD1 ASN A 48 -6.260 9.877 -1.502 1.00 0.00 O ATOM 705 ND2 ASN A 48 -4.269 9.617 -0.482 1.00 0.00 N ATOM 0 H ASN A 48 -5.817 5.737 0.671 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.493 7.140 1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.961 9.483 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.458 8.637 1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.754 10.055 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.770 9.274 0.339 1.00 0.00 H new ATOM 712 N GLY A 49 -7.793 6.737 -1.826 1.00 0.00 N ATOM 713 CA GLY A 49 -8.570 6.833 -3.049 1.00 0.00 C ATOM 714 C GLY A 49 -7.668 6.741 -4.281 1.00 0.00 C ATOM 715 O GLY A 49 -7.994 6.048 -5.244 1.00 0.00 O ATOM 0 H GLY A 49 -7.306 5.850 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.311 6.035 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.116 7.776 -3.064 1.00 0.00 H new ATOM 719 N LYS A 50 -6.550 7.450 -4.211 1.00 0.00 N ATOM 720 CA LYS A 50 -5.598 7.457 -5.308 1.00 0.00 C ATOM 721 C LYS A 50 -5.082 6.036 -5.540 1.00 0.00 C ATOM 722 O LYS A 50 -5.112 5.205 -4.633 1.00 0.00 O ATOM 723 CB LYS A 50 -4.489 8.479 -5.049 1.00 0.00 C ATOM 724 CG LYS A 50 -3.607 8.657 -6.286 1.00 0.00 C ATOM 725 CD LYS A 50 -4.333 9.460 -7.367 1.00 0.00 C ATOM 726 CE LYS A 50 -3.698 9.230 -8.740 1.00 0.00 C ATOM 727 NZ LYS A 50 -4.742 9.147 -9.786 1.00 0.00 N ATOM 0 H LYS A 50 -6.283 8.024 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.084 7.775 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.930 9.437 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.879 8.153 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.684 9.166 -6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.326 7.680 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.384 9.172 -7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.300 10.521 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.009 10.043 -8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.113 8.310 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.294 8.991 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.384 8.357 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.282 10.035 -9.808 1.00 0.00 H new ATOM 741 N THR A 51 -4.621 5.799 -6.759 1.00 0.00 N ATOM 742 CA THR A 51 -4.099 4.492 -7.121 1.00 0.00 C ATOM 743 C THR A 51 -2.654 4.611 -7.607 1.00 0.00 C ATOM 744 O THR A 51 -2.284 5.604 -8.231 1.00 0.00 O ATOM 745 CB THR A 51 -5.041 3.878 -8.159 1.00 0.00 C ATOM 746 OG1 THR A 51 -5.973 3.130 -7.383 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.349 2.825 -9.027 1.00 0.00 C ATOM 0 H THR A 51 -4.598 6.490 -7.509 1.00 0.00 H new ATOM 0 HA THR A 51 -4.065 3.827 -6.258 1.00 0.00 H new ATOM 0 HB THR A 51 -5.443 4.666 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.886 3.361 -7.656 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.061 2.421 -9.746 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.516 3.283 -9.560 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.976 2.020 -8.394 1.00 0.00 H new ATOM 755 N GLY A 52 -1.874 3.583 -7.303 1.00 0.00 N ATOM 756 CA GLY A 52 -0.477 3.560 -7.701 1.00 0.00 C ATOM 757 C GLY A 52 0.244 2.352 -7.100 1.00 0.00 C ATOM 758 O GLY A 52 -0.128 1.871 -6.031 1.00 0.00 O ATOM 0 H GLY A 52 -2.184 2.760 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.405 3.527 -8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.012 4.478 -7.377 1.00 0.00 H new ATOM 762 N MET A 53 1.263 1.896 -7.814 1.00 0.00 N ATOM 763 CA MET A 53 2.040 0.753 -7.365 1.00 0.00 C ATOM 764 C MET A 53 3.097 1.177 -6.343 1.00 0.00 C ATOM 765 O MET A 53 3.808 2.159 -6.550 1.00 0.00 O ATOM 766 CB MET A 53 2.724 0.097 -8.566 1.00 0.00 C ATOM 767 CG MET A 53 3.687 1.071 -9.248 1.00 0.00 C ATOM 768 SD MET A 53 4.513 0.261 -10.607 1.00 0.00 S ATOM 769 CE MET A 53 5.588 -0.841 -9.705 1.00 0.00 C ATOM 0 H MET A 53 1.569 2.298 -8.700 1.00 0.00 H new ATOM 0 HA MET A 53 1.365 0.042 -6.888 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.268 -0.789 -8.240 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.971 -0.236 -9.281 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.141 1.942 -9.611 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.422 1.433 -8.529 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.866 -1.681 -10.342 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.486 -0.304 -9.400 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.070 -1.212 -8.821 1.00 0.00 H new ATOM 779 N PHE A 54 3.167 0.415 -5.261 1.00 0.00 N ATOM 780 CA PHE A 54 4.125 0.698 -4.206 1.00 0.00 C ATOM 781 C PHE A 54 4.821 -0.582 -3.739 1.00 0.00 C ATOM 782 O PHE A 54 4.325 -1.683 -3.972 1.00 0.00 O ATOM 783 CB PHE A 54 3.339 1.294 -3.037 1.00 0.00 C ATOM 784 CG PHE A 54 2.387 0.306 -2.359 1.00 0.00 C ATOM 785 CD1 PHE A 54 1.136 0.118 -2.857 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.792 -0.384 -1.259 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.252 -0.799 -2.229 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.909 -1.301 -0.631 1.00 0.00 C ATOM 789 CZ PHE A 54 0.657 -1.489 -1.129 1.00 0.00 C ATOM 0 H PHE A 54 2.575 -0.399 -5.092 1.00 0.00 H new ATOM 0 HA PHE A 54 4.891 1.382 -4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.042 1.672 -2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.765 2.148 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.814 0.666 -3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.786 -0.234 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.742 -0.948 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.231 -1.849 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.015 -2.186 -0.651 1.00 0.00 H new ATOM 799 N PRO A 55 5.989 -0.389 -3.070 1.00 0.00 N ATOM 800 CA PRO A 55 6.758 -1.515 -2.568 1.00 0.00 C ATOM 801 C PRO A 55 6.104 -2.114 -1.322 1.00 0.00 C ATOM 802 O PRO A 55 5.775 -1.392 -0.381 1.00 0.00 O ATOM 803 CB PRO A 55 8.146 -0.955 -2.299 1.00 0.00 C ATOM 804 CG PRO A 55 7.978 0.553 -2.219 1.00 0.00 C ATOM 805 CD PRO A 55 6.607 0.900 -2.776 1.00 0.00 C ATOM 0 HA PRO A 55 6.806 -2.341 -3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.554 -1.352 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.839 -1.229 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.068 0.893 -1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.760 1.055 -2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.018 1.466 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.688 1.514 -3.673 1.00 0.00 H new ATOM 813 N SER A 56 5.934 -3.428 -1.354 1.00 0.00 N ATOM 814 CA SER A 56 5.324 -4.132 -0.239 1.00 0.00 C ATOM 815 C SER A 56 6.381 -4.447 0.821 1.00 0.00 C ATOM 816 O SER A 56 6.113 -5.180 1.771 1.00 0.00 O ATOM 817 CB SER A 56 4.642 -5.419 -0.707 1.00 0.00 C ATOM 818 OG SER A 56 5.586 -6.434 -1.037 1.00 0.00 O ATOM 0 H SER A 56 6.208 -4.024 -2.135 1.00 0.00 H new ATOM 0 HA SER A 56 4.561 -3.487 0.197 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.978 -5.783 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.021 -5.205 -1.577 1.00 0.00 H new ATOM 0 HG SER A 56 5.139 -7.306 -1.044 1.00 0.00 H new ATOM 824 N ASN A 57 7.561 -3.876 0.623 1.00 0.00 N ATOM 825 CA ASN A 57 8.659 -4.087 1.551 1.00 0.00 C ATOM 826 C ASN A 57 8.820 -2.849 2.434 1.00 0.00 C ATOM 827 O ASN A 57 9.841 -2.685 3.101 1.00 0.00 O ATOM 828 CB ASN A 57 9.976 -4.309 0.804 1.00 0.00 C ATOM 829 CG ASN A 57 11.079 -4.763 1.761 1.00 0.00 C ATOM 830 OD1 ASN A 57 10.869 -5.564 2.658 1.00 0.00 O ATOM 831 ND2 ASN A 57 12.265 -4.209 1.522 1.00 0.00 N ATOM 0 H ASN A 57 7.780 -3.268 -0.166 1.00 0.00 H new ATOM 0 HA ASN A 57 8.430 -4.969 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.835 -5.058 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.277 -3.386 0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.066 -4.448 2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.373 -3.546 0.755 1.00 0.00 H new ATOM 838 N PHE A 58 7.796 -2.008 2.411 1.00 0.00 N ATOM 839 CA PHE A 58 7.811 -0.789 3.202 1.00 0.00 C ATOM 840 C PHE A 58 6.419 -0.479 3.758 1.00 0.00 C ATOM 841 O PHE A 58 6.009 0.680 3.802 1.00 0.00 O ATOM 842 CB PHE A 58 8.238 0.345 2.268 1.00 0.00 C ATOM 843 CG PHE A 58 9.741 0.385 1.985 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.618 0.614 2.999 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.200 0.192 0.719 1.00 0.00 C ATOM 846 CE1 PHE A 58 12.013 0.651 2.736 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.595 0.229 0.457 1.00 0.00 C ATOM 848 CZ PHE A 58 12.472 0.458 1.471 1.00 0.00 C ATOM 0 H PHE A 58 6.951 -2.147 1.857 1.00 0.00 H new ATOM 0 HA PHE A 58 8.493 -0.901 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.703 0.245 1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.936 1.296 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.254 0.768 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.504 0.011 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.710 0.833 3.541 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.960 0.075 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.533 0.487 1.271 1.00 0.00 H new ATOM 858 N ILE A 59 5.732 -1.535 4.168 1.00 0.00 N ATOM 859 CA ILE A 59 4.396 -1.390 4.719 1.00 0.00 C ATOM 860 C ILE A 59 4.228 -2.350 5.899 1.00 0.00 C ATOM 861 O ILE A 59 5.191 -2.982 6.330 1.00 0.00 O ATOM 862 CB ILE A 59 3.342 -1.571 3.625 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.642 -2.808 2.775 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.214 -0.308 2.772 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.079 -4.072 3.428 1.00 0.00 C ATOM 0 H ILE A 59 6.076 -2.495 4.130 1.00 0.00 H new ATOM 0 HA ILE A 59 4.251 -0.381 5.105 1.00 0.00 H new ATOM 0 HB ILE A 59 2.377 -1.735 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.210 -2.684 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.719 -2.911 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.458 -0.464 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.920 0.530 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.172 -0.089 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.306 -4.936 2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.531 -4.206 4.411 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.999 -3.976 3.535 1.00 0.00 H new ATOM 877 N LYS A 60 2.999 -2.428 6.387 1.00 0.00 N ATOM 878 CA LYS A 60 2.694 -3.300 7.508 1.00 0.00 C ATOM 879 C LYS A 60 1.254 -3.803 7.380 1.00 0.00 C ATOM 880 O LYS A 60 0.308 -3.052 7.611 1.00 0.00 O ATOM 881 CB LYS A 60 2.981 -2.590 8.833 1.00 0.00 C ATOM 882 CG LYS A 60 2.223 -1.264 8.920 1.00 0.00 C ATOM 883 CD LYS A 60 2.646 -0.471 10.159 1.00 0.00 C ATOM 884 CE LYS A 60 1.482 -0.325 11.141 1.00 0.00 C ATOM 885 NZ LYS A 60 1.970 -0.389 12.536 1.00 0.00 N ATOM 0 H LYS A 60 2.203 -1.902 6.027 1.00 0.00 H new ATOM 0 HA LYS A 60 3.341 -4.177 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.692 -3.233 9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.052 -2.408 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.412 -0.673 8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.151 -1.456 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.479 -0.974 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.000 0.516 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.972 0.623 10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.752 -1.115 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.167 -0.288 13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.436 -1.304 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.650 0.380 12.702 1.00 0.00 H new ATOM 899 N GLU A 61 1.135 -5.070 7.013 1.00 0.00 N ATOM 900 CA GLU A 61 -0.173 -5.682 6.852 1.00 0.00 C ATOM 901 C GLU A 61 -0.999 -5.515 8.129 1.00 0.00 C ATOM 902 O GLU A 61 -0.461 -5.167 9.179 1.00 0.00 O ATOM 903 CB GLU A 61 -0.045 -7.159 6.471 1.00 0.00 C ATOM 904 CG GLU A 61 1.038 -7.359 5.409 1.00 0.00 C ATOM 905 CD GLU A 61 2.193 -8.200 5.955 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.894 -7.687 6.854 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.349 -9.338 5.461 1.00 0.00 O ATOM 0 H GLU A 61 1.922 -5.690 6.823 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.691 -5.174 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.196 -7.747 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.000 -7.525 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.609 -7.848 4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.413 -6.390 5.080 1.00 0.00 H new ATOM 914 N LEU A 62 -2.292 -5.771 7.997 1.00 0.00 N ATOM 915 CA LEU A 62 -3.197 -5.654 9.128 1.00 0.00 C ATOM 916 C LEU A 62 -4.269 -6.741 9.033 1.00 0.00 C ATOM 917 O LEU A 62 -4.237 -7.572 8.126 1.00 0.00 O ATOM 918 CB LEU A 62 -3.766 -4.236 9.214 1.00 0.00 C ATOM 919 CG LEU A 62 -2.771 -3.099 8.974 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.482 -1.849 8.452 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.954 -2.809 10.235 1.00 0.00 C ATOM 0 H LEU A 62 -2.735 -6.059 7.124 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.661 -5.816 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.573 -4.145 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.209 -4.103 10.201 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.070 -3.417 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.752 -1.056 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.981 -2.081 7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.220 -1.518 9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.255 -1.997 10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.624 -2.521 11.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.400 -3.702 10.523 1.00 0.00 H new ATOM 933 N SER A 63 -5.194 -6.700 9.980 1.00 0.00 N ATOM 934 CA SER A 63 -6.274 -7.672 10.015 1.00 0.00 C ATOM 935 C SER A 63 -7.204 -7.379 11.194 1.00 0.00 C ATOM 936 O SER A 63 -6.823 -6.679 12.131 1.00 0.00 O ATOM 937 CB SER A 63 -5.729 -9.098 10.110 1.00 0.00 C ATOM 938 OG SER A 63 -6.627 -10.052 9.549 1.00 0.00 O ATOM 0 H SER A 63 -5.218 -6.009 10.730 1.00 0.00 H new ATOM 0 HA SER A 63 -6.839 -7.589 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.771 -9.155 9.594 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.543 -9.346 11.155 1.00 0.00 H new ATOM 0 HG SER A 63 -6.242 -10.950 9.628 1.00 0.00 H new ATOM 944 N GLY A 64 -8.406 -7.930 11.110 1.00 0.00 N ATOM 945 CA GLY A 64 -9.393 -7.737 12.158 1.00 0.00 C ATOM 946 C GLY A 64 -10.131 -9.042 12.464 1.00 0.00 C ATOM 947 O GLY A 64 -9.787 -10.094 11.927 1.00 0.00 O ATOM 0 H GLY A 64 -8.719 -8.510 10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.903 -7.372 13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.108 -6.974 11.852 1.00 0.00 H new ATOM 951 N PRO A 65 -11.158 -8.928 13.348 1.00 0.00 N ATOM 952 CA PRO A 65 -11.947 -10.086 13.732 1.00 0.00 C ATOM 953 C PRO A 65 -12.910 -10.489 12.612 1.00 0.00 C ATOM 954 O PRO A 65 -12.977 -11.658 12.237 1.00 0.00 O ATOM 955 CB PRO A 65 -12.661 -9.671 15.008 1.00 0.00 C ATOM 956 CG PRO A 65 -12.611 -8.152 15.038 1.00 0.00 C ATOM 957 CD PRO A 65 -11.593 -7.699 14.004 1.00 0.00 C ATOM 0 HA PRO A 65 -11.336 -10.972 13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.691 -10.028 15.013 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.172 -10.095 15.885 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.593 -7.733 14.816 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.330 -7.799 16.030 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.036 -7.005 13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.755 -7.183 14.473 1.00 0.00 H new ATOM 965 N SER A 66 -13.631 -9.497 12.111 1.00 0.00 N ATOM 966 CA SER A 66 -14.587 -9.733 11.042 1.00 0.00 C ATOM 967 C SER A 66 -15.672 -10.703 11.515 1.00 0.00 C ATOM 968 O SER A 66 -15.474 -11.439 12.480 1.00 0.00 O ATOM 969 CB SER A 66 -13.893 -10.281 9.793 1.00 0.00 C ATOM 970 OG SER A 66 -14.735 -10.222 8.645 1.00 0.00 O ATOM 0 H SER A 66 -13.573 -8.528 12.425 1.00 0.00 H new ATOM 0 HA SER A 66 -15.049 -8.781 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.983 -9.711 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.592 -11.314 9.969 1.00 0.00 H new ATOM 0 HG SER A 66 -14.255 -10.579 7.869 1.00 0.00 H new ATOM 976 N SER A 67 -16.795 -10.672 10.813 1.00 0.00 N ATOM 977 CA SER A 67 -17.912 -11.539 11.149 1.00 0.00 C ATOM 978 C SER A 67 -18.343 -12.338 9.917 1.00 0.00 C ATOM 979 O SER A 67 -18.336 -13.567 9.937 1.00 0.00 O ATOM 980 CB SER A 67 -19.090 -10.732 11.698 1.00 0.00 C ATOM 981 OG SER A 67 -19.031 -10.598 13.116 1.00 0.00 O ATOM 0 H SER A 67 -16.956 -10.060 10.013 1.00 0.00 H new ATOM 0 HA SER A 67 -17.587 -12.230 11.927 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.096 -9.743 11.240 1.00 0.00 H new ATOM 0 HB3 SER A 67 -20.024 -11.219 11.418 1.00 0.00 H new ATOM 0 HG SER A 67 -19.799 -10.075 13.427 1.00 0.00 H new ATOM 987 N GLY A 68 -18.709 -11.606 8.875 1.00 0.00 N ATOM 988 CA GLY A 68 -19.143 -12.230 7.637 1.00 0.00 C ATOM 989 C GLY A 68 -18.655 -11.438 6.423 1.00 0.00 C ATOM 990 O GLY A 68 -17.729 -11.860 5.733 1.00 0.00 O ATOM 0 H GLY A 68 -18.714 -10.586 8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -18.762 -13.250 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -20.231 -12.295 7.620 1.00 0.00 H new TER 994 GLY A 68