USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 665 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 33 CYS SG : rot 180:sc= -0.494 USER MOD Set 1.2: A 38 MET CE :methyl -135:sc= -0.297 (180deg=-0.00894) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0321 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -95:sc= 0.00793 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.0659 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 46 GLN : amide:sc= -0.458 K(o=-0.46,f=-1.8) USER MOD Single : A 49 THR OG1 : rot 81:sc= 0.589 USER MOD Single : A 51 TYR OH : rot -175:sc= 0.0594 USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= 0.102 (180deg=0.032) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -1.48 (180deg=-2.28!) USER MOD Single : A 60 ASN : amide:sc= -0.639 X(o=-0.64,f=-1) USER MOD Single : A 61 TYR OH : rot -14:sc= -0.663 USER MOD Single : A 64 GLN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0.00323 X(o=0.0032,f=-0.054) USER MOD Single : A 70 HIS : +bothHN:sc= -4.79! C(o=-4.8!,f=-6.2!) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= -0.302 (180deg=-0.33) USER MOD Single : A 99 GLN : amide:sc= -0.0185 X(o=-0.019,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.922 11.838 3.255 1.00 0.00 N ATOM 2 CA SER A 16 -14.274 10.533 3.319 1.00 0.00 C ATOM 3 C SER A 16 -12.811 10.671 3.735 1.00 0.00 C ATOM 4 O SER A 16 -12.237 11.758 3.671 1.00 0.00 O ATOM 5 CB SER A 16 -14.364 9.826 1.966 1.00 0.00 C ATOM 6 OG SER A 16 -13.875 8.499 2.049 1.00 0.00 O ATOM 0 HA SER A 16 -14.793 9.936 4.069 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.400 9.814 1.627 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.792 10.382 1.223 1.00 0.00 H new ATOM 0 HG SER A 16 -13.945 8.069 1.171 1.00 0.00 H new ATOM 12 N GLU A 17 -12.215 9.563 4.159 1.00 0.00 N ATOM 13 CA GLU A 17 -10.820 9.558 4.584 1.00 0.00 C ATOM 14 C GLU A 17 -9.889 9.367 3.391 1.00 0.00 C ATOM 15 O GLU A 17 -10.337 9.298 2.246 1.00 0.00 O ATOM 16 CB GLU A 17 -10.584 8.452 5.614 1.00 0.00 C ATOM 17 CG GLU A 17 -11.285 8.696 6.940 1.00 0.00 C ATOM 18 CD GLU A 17 -12.581 7.918 7.067 1.00 0.00 C ATOM 19 OE1 GLU A 17 -13.310 7.812 6.060 1.00 0.00 O ATOM 20 OE2 GLU A 17 -12.864 7.413 8.174 1.00 0.00 O ATOM 0 H GLU A 17 -12.676 8.655 4.218 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.601 10.523 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.926 7.503 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.513 8.355 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.618 8.419 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.493 9.761 7.046 1.00 0.00 H new ATOM 27 N PHE A 18 -8.590 9.281 3.665 1.00 0.00 N ATOM 28 CA PHE A 18 -7.598 9.096 2.612 1.00 0.00 C ATOM 29 C PHE A 18 -7.525 7.634 2.185 1.00 0.00 C ATOM 30 O PHE A 18 -7.942 6.741 2.925 1.00 0.00 O ATOM 31 CB PHE A 18 -6.223 9.569 3.089 1.00 0.00 C ATOM 32 CG PHE A 18 -5.468 10.356 2.057 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.795 9.711 1.031 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.430 11.738 2.114 1.00 0.00 C ATOM 35 CE1 PHE A 18 -4.099 10.432 0.081 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.735 12.466 1.167 1.00 0.00 C ATOM 37 CZ PHE A 18 -4.069 11.812 0.149 1.00 0.00 C ATOM 0 H PHE A 18 -8.201 9.336 4.606 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.902 9.693 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.348 10.182 3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.630 8.702 3.378 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.815 8.633 0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.950 12.254 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.579 9.918 -0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.713 13.544 1.223 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.526 12.378 -0.593 1.00 0.00 H new ATOM 47 N LYS A 19 -6.992 7.393 0.993 1.00 0.00 N ATOM 48 CA LYS A 19 -6.864 6.038 0.476 1.00 0.00 C ATOM 49 C LYS A 19 -5.949 5.997 -0.743 1.00 0.00 C ATOM 50 O LYS A 19 -6.211 6.647 -1.756 1.00 0.00 O ATOM 51 CB LYS A 19 -8.241 5.479 0.113 1.00 0.00 C ATOM 52 CG LYS A 19 -8.216 4.012 -0.289 1.00 0.00 C ATOM 53 CD LYS A 19 -9.607 3.399 -0.247 1.00 0.00 C ATOM 54 CE LYS A 19 -9.813 2.560 1.004 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.103 2.873 1.678 1.00 0.00 N ATOM 0 H LYS A 19 -6.642 8.119 0.367 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.420 5.421 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.910 5.602 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.657 6.065 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.805 3.916 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.554 3.462 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.355 4.191 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.758 2.779 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.789 1.503 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.990 2.734 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.205 2.280 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.116 3.876 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.891 2.683 1.026 1.00 0.00 H new ATOM 69 N VAL A 20 -4.873 5.224 -0.641 1.00 0.00 N ATOM 70 CA VAL A 20 -3.920 5.092 -1.734 1.00 0.00 C ATOM 71 C VAL A 20 -3.503 3.637 -1.923 1.00 0.00 C ATOM 72 O VAL A 20 -3.347 2.896 -0.953 1.00 0.00 O ATOM 73 CB VAL A 20 -2.663 5.948 -1.491 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.983 7.427 -1.653 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.086 5.667 -0.111 1.00 0.00 C ATOM 0 H VAL A 20 -4.640 4.679 0.189 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.420 5.445 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.913 5.680 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.082 8.015 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.346 7.612 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.750 7.714 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.198 6.280 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.829 5.906 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.817 4.613 -0.037 1.00 0.00 H new ATOM 85 N THR A 21 -3.326 3.238 -3.178 1.00 0.00 N ATOM 86 CA THR A 21 -2.929 1.870 -3.492 1.00 0.00 C ATOM 87 C THR A 21 -1.437 1.791 -3.793 1.00 0.00 C ATOM 88 O THR A 21 -0.905 2.589 -4.564 1.00 0.00 O ATOM 89 CB THR A 21 -3.730 1.349 -4.687 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.037 1.895 -4.691 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.863 -0.158 -4.706 1.00 0.00 C ATOM 0 H THR A 21 -3.451 3.840 -3.992 1.00 0.00 H new ATOM 0 HA THR A 21 -3.138 1.248 -2.622 1.00 0.00 H new ATOM 0 HB THR A 21 -3.169 1.660 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.654 1.269 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.442 -0.461 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.872 -0.610 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.371 -0.490 -3.801 1.00 0.00 H new ATOM 99 N VAL A 22 -0.766 0.822 -3.179 1.00 0.00 N ATOM 100 CA VAL A 22 0.666 0.636 -3.381 1.00 0.00 C ATOM 101 C VAL A 22 0.946 -0.675 -4.105 1.00 0.00 C ATOM 102 O VAL A 22 0.842 -1.754 -3.523 1.00 0.00 O ATOM 103 CB VAL A 22 1.430 0.645 -2.043 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.925 0.766 -2.286 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.935 1.773 -1.148 1.00 0.00 C ATOM 0 H VAL A 22 -1.191 0.153 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 22 1.013 1.470 -3.991 1.00 0.00 H new ATOM 0 HB VAL A 22 1.241 -0.299 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.450 0.771 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.266 -0.080 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.133 1.694 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.488 1.761 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.090 2.729 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.127 1.637 -0.946 1.00 0.00 H new ATOM 115 N CYS A 23 1.298 -0.574 -5.382 1.00 0.00 N ATOM 116 CA CYS A 23 1.586 -1.755 -6.188 1.00 0.00 C ATOM 117 C CYS A 23 3.020 -2.228 -5.979 1.00 0.00 C ATOM 118 O CYS A 23 3.960 -1.665 -6.539 1.00 0.00 O ATOM 119 CB CYS A 23 1.349 -1.455 -7.668 1.00 0.00 C ATOM 120 SG CYS A 23 1.215 -2.929 -8.709 1.00 0.00 S ATOM 0 H CYS A 23 1.391 0.311 -5.880 1.00 0.00 H new ATOM 0 HA CYS A 23 0.913 -2.551 -5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.435 -0.869 -7.767 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.166 -0.836 -8.037 1.00 0.00 H new ATOM 0 HG CYS A 23 1.013 -2.572 -9.943 1.00 0.00 H new ATOM 126 N PHE A 24 3.178 -3.275 -5.175 1.00 0.00 N ATOM 127 CA PHE A 24 4.495 -3.836 -4.898 1.00 0.00 C ATOM 128 C PHE A 24 4.904 -4.801 -6.003 1.00 0.00 C ATOM 129 O PHE A 24 4.459 -5.948 -6.029 1.00 0.00 O ATOM 130 CB PHE A 24 4.493 -4.560 -3.551 1.00 0.00 C ATOM 131 CG PHE A 24 4.678 -3.644 -2.377 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.702 -2.718 -2.047 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.826 -3.708 -1.605 1.00 0.00 C ATOM 134 CE1 PHE A 24 3.868 -1.873 -0.967 1.00 0.00 C ATOM 135 CE2 PHE A 24 5.998 -2.865 -0.524 1.00 0.00 C ATOM 136 CZ PHE A 24 5.017 -1.947 -0.204 1.00 0.00 C ATOM 0 H PHE A 24 2.409 -3.752 -4.704 1.00 0.00 H new ATOM 0 HA PHE A 24 5.215 -3.018 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.551 -5.097 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.287 -5.306 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.802 -2.656 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.595 -4.425 -1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.100 -1.155 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.898 -2.924 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.148 -1.288 0.642 1.00 0.00 H new ATOM 146 N GLY A 25 5.751 -4.331 -6.912 1.00 0.00 N ATOM 147 CA GLY A 25 6.200 -5.172 -8.007 1.00 0.00 C ATOM 148 C GLY A 25 5.061 -5.606 -8.908 1.00 0.00 C ATOM 149 O GLY A 25 4.863 -5.046 -9.985 1.00 0.00 O ATOM 0 H GLY A 25 6.134 -3.386 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.940 -4.631 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.697 -6.054 -7.604 1.00 0.00 H new ATOM 153 N ARG A 26 4.306 -6.608 -8.464 1.00 0.00 N ATOM 154 CA ARG A 26 3.177 -7.118 -9.234 1.00 0.00 C ATOM 155 C ARG A 26 1.988 -7.419 -8.326 1.00 0.00 C ATOM 156 O ARG A 26 1.200 -8.325 -8.599 1.00 0.00 O ATOM 157 CB ARG A 26 3.582 -8.379 -10.000 1.00 0.00 C ATOM 158 CG ARG A 26 4.132 -8.096 -11.390 1.00 0.00 C ATOM 159 CD ARG A 26 5.546 -8.629 -11.552 1.00 0.00 C ATOM 160 NE ARG A 26 6.296 -7.892 -12.567 1.00 0.00 N ATOM 161 CZ ARG A 26 7.407 -8.345 -13.143 1.00 0.00 C ATOM 162 NH1 ARG A 26 7.899 -9.532 -12.809 1.00 0.00 N ATOM 163 NH2 ARG A 26 8.026 -7.611 -14.057 1.00 0.00 N ATOM 0 H ARG A 26 4.457 -7.083 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 26 2.880 -6.349 -9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.334 -8.919 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.716 -9.035 -10.088 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.483 -8.551 -12.138 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.124 -7.021 -11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.069 -8.566 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.507 -9.684 -11.825 1.00 0.00 H new ATOM 0 HE ARG A 26 5.947 -6.976 -12.851 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.425 -10.102 -12.108 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.751 -9.874 -13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.651 -6.699 -14.319 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.877 -7.958 -14.499 1.00 0.00 H new ATOM 177 N THR A 27 1.865 -6.654 -7.247 1.00 0.00 N ATOM 178 CA THR A 27 0.770 -6.837 -6.298 1.00 0.00 C ATOM 179 C THR A 27 0.253 -5.490 -5.802 1.00 0.00 C ATOM 180 O THR A 27 1.008 -4.689 -5.254 1.00 0.00 O ATOM 181 CB THR A 27 1.231 -7.688 -5.114 1.00 0.00 C ATOM 182 OG1 THR A 27 1.756 -8.926 -5.559 1.00 0.00 O ATOM 183 CG2 THR A 27 0.126 -7.987 -4.125 1.00 0.00 C ATOM 0 H THR A 27 2.509 -5.901 -7.007 1.00 0.00 H new ATOM 0 HA THR A 27 -0.042 -7.352 -6.811 1.00 0.00 H new ATOM 0 HB THR A 27 1.994 -7.093 -4.612 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.047 -9.455 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.521 -8.594 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.266 -7.052 -3.724 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.674 -8.530 -4.627 1.00 0.00 H new ATOM 191 N ARG A 28 -1.038 -5.246 -6.000 1.00 0.00 N ATOM 192 CA ARG A 28 -1.651 -3.991 -5.574 1.00 0.00 C ATOM 193 C ARG A 28 -2.276 -4.126 -4.188 1.00 0.00 C ATOM 194 O ARG A 28 -3.104 -5.004 -3.952 1.00 0.00 O ATOM 195 CB ARG A 28 -2.711 -3.552 -6.588 1.00 0.00 C ATOM 196 CG ARG A 28 -2.393 -2.224 -7.258 1.00 0.00 C ATOM 197 CD ARG A 28 -3.302 -1.964 -8.451 1.00 0.00 C ATOM 198 NE ARG A 28 -4.694 -2.310 -8.171 1.00 0.00 N ATOM 199 CZ ARG A 28 -5.235 -3.500 -8.425 1.00 0.00 C ATOM 200 NH1 ARG A 28 -4.503 -4.475 -8.955 1.00 0.00 N ATOM 201 NH2 ARG A 28 -6.512 -3.721 -8.145 1.00 0.00 N ATOM 0 H ARG A 28 -1.680 -5.898 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.869 -3.233 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.812 -4.322 -7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.675 -3.475 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.502 -1.416 -6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.353 -2.221 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.240 -0.912 -8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.951 -2.542 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.289 -1.594 -7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.519 -4.315 -9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.925 -5.384 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.080 -2.980 -7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.926 -4.632 -8.340 1.00 0.00 H new ATOM 215 N VAL A 29 -1.875 -3.242 -3.276 1.00 0.00 N ATOM 216 CA VAL A 29 -2.398 -3.259 -1.914 1.00 0.00 C ATOM 217 C VAL A 29 -2.976 -1.899 -1.532 1.00 0.00 C ATOM 218 O VAL A 29 -2.295 -0.878 -1.617 1.00 0.00 O ATOM 219 CB VAL A 29 -1.309 -3.653 -0.896 1.00 0.00 C ATOM 220 CG1 VAL A 29 -0.194 -2.616 -0.863 1.00 0.00 C ATOM 221 CG2 VAL A 29 -1.916 -3.840 0.488 1.00 0.00 C ATOM 0 H VAL A 29 -1.191 -2.507 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.191 -4.007 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.874 -4.602 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.562 -2.917 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.261 -2.540 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.606 -1.648 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.133 -4.118 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.381 -2.908 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.668 -4.628 0.452 1.00 0.00 H new ATOM 231 N ASP A 30 -4.236 -1.893 -1.111 1.00 0.00 N ATOM 232 CA ASP A 30 -4.904 -0.658 -0.715 1.00 0.00 C ATOM 233 C ASP A 30 -4.488 -0.243 0.693 1.00 0.00 C ATOM 234 O ASP A 30 -4.350 -1.082 1.581 1.00 0.00 O ATOM 235 CB ASP A 30 -6.423 -0.829 -0.782 1.00 0.00 C ATOM 236 CG ASP A 30 -6.900 -1.224 -2.165 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.864 -0.366 -3.072 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.309 -2.391 -2.342 1.00 0.00 O ATOM 0 H ASP A 30 -4.815 -2.729 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.604 0.127 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.732 -1.588 -0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.904 0.104 -0.487 1.00 0.00 H new ATOM 243 N VAL A 31 -4.290 1.058 0.888 1.00 0.00 N ATOM 244 CA VAL A 31 -3.892 1.581 2.189 1.00 0.00 C ATOM 245 C VAL A 31 -4.743 2.786 2.581 1.00 0.00 C ATOM 246 O VAL A 31 -4.423 3.923 2.228 1.00 0.00 O ATOM 247 CB VAL A 31 -2.407 1.991 2.199 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.960 2.347 3.608 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.542 0.881 1.621 1.00 0.00 C ATOM 0 H VAL A 31 -4.399 1.767 0.163 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.045 0.780 2.912 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.289 2.875 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.909 2.634 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.558 3.179 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.092 1.484 4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.497 1.189 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.663 -0.023 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.846 0.680 0.594 1.00 0.00 H new ATOM 259 N PRO A 32 -5.843 2.555 3.318 1.00 0.00 N ATOM 260 CA PRO A 32 -6.746 3.617 3.758 1.00 0.00 C ATOM 261 C PRO A 32 -6.187 4.393 4.947 1.00 0.00 C ATOM 262 O PRO A 32 -5.994 3.835 6.027 1.00 0.00 O ATOM 263 CB PRO A 32 -8.029 2.867 4.164 1.00 0.00 C ATOM 264 CG PRO A 32 -7.794 1.427 3.827 1.00 0.00 C ATOM 265 CD PRO A 32 -6.305 1.242 3.775 1.00 0.00 C ATOM 0 HA PRO A 32 -6.905 4.360 2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.232 2.990 5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.894 3.256 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.241 0.775 4.577 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.251 1.172 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.893 0.983 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.018 0.447 3.086 1.00 0.00 H new ATOM 273 N CYS A 33 -5.934 5.682 4.745 1.00 0.00 N ATOM 274 CA CYS A 33 -5.403 6.530 5.805 1.00 0.00 C ATOM 275 C CYS A 33 -6.534 7.196 6.582 1.00 0.00 C ATOM 276 O CYS A 33 -7.347 7.924 6.012 1.00 0.00 O ATOM 277 CB CYS A 33 -4.468 7.591 5.223 1.00 0.00 C ATOM 278 SG CYS A 33 -2.913 7.779 6.126 1.00 0.00 S ATOM 0 H CYS A 33 -6.088 6.161 3.858 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.836 5.901 6.491 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.246 7.335 4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.987 8.550 5.210 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.189 8.697 5.557 1.00 0.00 H new ATOM 284 N GLY A 34 -6.582 6.937 7.886 1.00 0.00 N ATOM 285 CA GLY A 34 -7.619 7.512 8.723 1.00 0.00 C ATOM 286 C GLY A 34 -7.703 9.023 8.608 1.00 0.00 C ATOM 287 O GLY A 34 -8.770 9.571 8.333 1.00 0.00 O ATOM 0 H GLY A 34 -5.919 6.338 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.581 7.078 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.431 7.242 9.762 1.00 0.00 H new ATOM 291 N ASP A 35 -6.578 9.696 8.821 1.00 0.00 N ATOM 292 CA ASP A 35 -6.535 11.152 8.741 1.00 0.00 C ATOM 293 C ASP A 35 -5.835 11.610 7.468 1.00 0.00 C ATOM 294 O ASP A 35 -6.174 12.649 6.900 1.00 0.00 O ATOM 295 CB ASP A 35 -5.819 11.728 9.962 1.00 0.00 C ATOM 296 CG ASP A 35 -6.719 11.799 11.181 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.648 12.633 11.184 1.00 0.00 O ATOM 298 OD2 ASP A 35 -6.495 11.022 12.133 1.00 0.00 O ATOM 0 H ASP A 35 -5.685 9.258 9.050 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.561 11.518 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.948 11.114 10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.452 12.727 9.727 1.00 0.00 H new ATOM 303 N GLY A 36 -4.851 10.834 7.028 1.00 0.00 N ATOM 304 CA GLY A 36 -4.112 11.183 5.832 1.00 0.00 C ATOM 305 C GLY A 36 -2.787 11.850 6.148 1.00 0.00 C ATOM 306 O GLY A 36 -1.939 12.008 5.270 1.00 0.00 O ATOM 0 H GLY A 36 -4.553 9.969 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.932 10.283 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.715 11.851 5.217 1.00 0.00 H new ATOM 310 N ARG A 37 -2.607 12.240 7.407 1.00 0.00 N ATOM 311 CA ARG A 37 -1.380 12.890 7.840 1.00 0.00 C ATOM 312 C ARG A 37 -0.321 11.856 8.213 1.00 0.00 C ATOM 313 O ARG A 37 0.205 11.857 9.326 1.00 0.00 O ATOM 314 CB ARG A 37 -1.662 13.812 9.030 1.00 0.00 C ATOM 315 CG ARG A 37 -1.832 15.273 8.639 1.00 0.00 C ATOM 316 CD ARG A 37 -0.804 16.159 9.326 1.00 0.00 C ATOM 317 NE ARG A 37 -1.266 17.540 9.447 1.00 0.00 N ATOM 318 CZ ARG A 37 -2.139 17.952 10.363 1.00 0.00 C ATOM 319 NH1 ARG A 37 -2.645 17.095 11.242 1.00 0.00 N ATOM 320 NH2 ARG A 37 -2.507 19.226 10.403 1.00 0.00 N ATOM 0 H ARG A 37 -3.300 12.115 8.145 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.998 13.487 7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.565 13.472 9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.844 13.728 9.746 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.736 15.375 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.836 15.607 8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.587 15.761 10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.129 16.137 8.762 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.898 18.229 8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.365 16.115 11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.314 17.417 11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.121 19.890 9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.176 19.542 11.105 1.00 0.00 H new ATOM 334 N MET A 38 -0.010 10.974 7.269 1.00 0.00 N ATOM 335 CA MET A 38 0.987 9.934 7.492 1.00 0.00 C ATOM 336 C MET A 38 2.102 10.030 6.459 1.00 0.00 C ATOM 337 O MET A 38 1.876 9.821 5.268 1.00 0.00 O ATOM 338 CB MET A 38 0.338 8.550 7.426 1.00 0.00 C ATOM 339 CG MET A 38 0.980 7.532 8.356 1.00 0.00 C ATOM 340 SD MET A 38 -0.228 6.435 9.122 1.00 0.00 S ATOM 341 CE MET A 38 -0.852 5.564 7.688 1.00 0.00 C ATOM 0 H MET A 38 -0.435 10.959 6.342 1.00 0.00 H new ATOM 0 HA MET A 38 1.414 10.079 8.484 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.719 8.641 7.675 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.393 8.180 6.402 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.701 6.937 7.795 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.535 8.056 9.134 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.940 5.512 7.739 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.556 6.094 6.783 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.441 4.555 7.668 1.00 0.00 H new ATOM 351 N LYS A 39 3.306 10.346 6.922 1.00 0.00 N ATOM 352 CA LYS A 39 4.455 10.466 6.033 1.00 0.00 C ATOM 353 C LYS A 39 4.618 9.209 5.183 1.00 0.00 C ATOM 354 O LYS A 39 4.298 8.104 5.624 1.00 0.00 O ATOM 355 CB LYS A 39 5.729 10.718 6.842 1.00 0.00 C ATOM 356 CG LYS A 39 5.565 11.773 7.925 1.00 0.00 C ATOM 357 CD LYS A 39 6.787 12.673 8.017 1.00 0.00 C ATOM 358 CE LYS A 39 7.702 12.257 9.159 1.00 0.00 C ATOM 359 NZ LYS A 39 9.138 12.300 8.764 1.00 0.00 N ATOM 0 H LYS A 39 3.511 10.523 7.905 1.00 0.00 H new ATOM 0 HA LYS A 39 4.282 11.313 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.047 9.783 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.525 11.026 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.682 12.377 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.397 11.286 8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.338 12.638 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.469 13.706 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.540 12.916 10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.444 11.248 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.728 12.010 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.298 11.652 7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.391 13.268 8.480 1.00 0.00 H new ATOM 373 N VAL A 40 5.114 9.387 3.963 1.00 0.00 N ATOM 374 CA VAL A 40 5.319 8.264 3.055 1.00 0.00 C ATOM 375 C VAL A 40 6.014 7.107 3.761 1.00 0.00 C ATOM 376 O VAL A 40 5.631 5.950 3.601 1.00 0.00 O ATOM 377 CB VAL A 40 6.156 8.675 1.830 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.201 7.546 0.808 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.605 9.949 1.205 1.00 0.00 C ATOM 0 H VAL A 40 5.381 10.294 3.581 1.00 0.00 H new ATOM 0 HA VAL A 40 4.331 7.945 2.721 1.00 0.00 H new ATOM 0 HB VAL A 40 7.175 8.874 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.797 7.856 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.650 6.662 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.188 7.311 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.211 10.222 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.575 9.783 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.634 10.756 1.938 1.00 0.00 H new ATOM 389 N PHE A 41 7.035 7.433 4.552 1.00 0.00 N ATOM 390 CA PHE A 41 7.787 6.423 5.291 1.00 0.00 C ATOM 391 C PHE A 41 6.849 5.499 6.060 1.00 0.00 C ATOM 392 O PHE A 41 7.040 4.282 6.081 1.00 0.00 O ATOM 393 CB PHE A 41 8.765 7.094 6.256 1.00 0.00 C ATOM 394 CG PHE A 41 9.728 6.136 6.898 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.287 5.219 7.839 1.00 0.00 C ATOM 396 CD2 PHE A 41 11.071 6.154 6.561 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.171 4.336 8.431 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.959 5.274 7.150 1.00 0.00 C ATOM 399 CZ PHE A 41 11.509 4.364 8.086 1.00 0.00 C ATOM 0 H PHE A 41 7.360 8.389 4.697 1.00 0.00 H new ATOM 0 HA PHE A 41 8.347 5.824 4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.328 7.856 5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.200 7.606 7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.243 5.194 8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.428 6.864 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.816 3.625 9.162 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.004 5.298 6.878 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.201 3.675 8.548 1.00 0.00 H new ATOM 409 N SER A 42 5.830 6.081 6.679 1.00 0.00 N ATOM 410 CA SER A 42 4.860 5.308 7.438 1.00 0.00 C ATOM 411 C SER A 42 3.979 4.497 6.494 1.00 0.00 C ATOM 412 O SER A 42 3.530 3.402 6.830 1.00 0.00 O ATOM 413 CB SER A 42 3.997 6.230 8.301 1.00 0.00 C ATOM 414 OG SER A 42 4.665 6.577 9.502 1.00 0.00 O ATOM 0 H SER A 42 5.655 7.086 6.669 1.00 0.00 H new ATOM 0 HA SER A 42 5.399 4.624 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.754 7.134 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.054 5.736 8.535 1.00 0.00 H new ATOM 0 HG SER A 42 4.093 7.168 10.035 1.00 0.00 H new ATOM 420 N LEU A 43 3.743 5.044 5.304 1.00 0.00 N ATOM 421 CA LEU A 43 2.923 4.371 4.306 1.00 0.00 C ATOM 422 C LEU A 43 3.661 3.174 3.719 1.00 0.00 C ATOM 423 O LEU A 43 3.065 2.128 3.468 1.00 0.00 O ATOM 424 CB LEU A 43 2.533 5.344 3.193 1.00 0.00 C ATOM 425 CG LEU A 43 1.570 4.777 2.145 1.00 0.00 C ATOM 426 CD1 LEU A 43 0.458 5.769 1.844 1.00 0.00 C ATOM 427 CD2 LEU A 43 2.323 4.415 0.872 1.00 0.00 C ATOM 0 H LEU A 43 4.108 5.950 5.010 1.00 0.00 H new ATOM 0 HA LEU A 43 2.017 4.013 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.077 6.225 3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.440 5.678 2.688 1.00 0.00 H new ATOM 0 HG LEU A 43 1.118 3.871 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.214 5.346 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.099 5.979 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.889 6.694 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.625 4.014 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.803 5.306 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.082 3.666 1.099 1.00 0.00 H new ATOM 439 N ILE A 44 4.964 3.333 3.505 1.00 0.00 N ATOM 440 CA ILE A 44 5.778 2.261 2.953 1.00 0.00 C ATOM 441 C ILE A 44 5.834 1.078 3.911 1.00 0.00 C ATOM 442 O ILE A 44 5.618 -0.064 3.514 1.00 0.00 O ATOM 443 CB ILE A 44 7.212 2.734 2.649 1.00 0.00 C ATOM 444 CG1 ILE A 44 7.171 4.010 1.803 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.992 1.634 1.943 1.00 0.00 C ATOM 446 CD1 ILE A 44 8.471 4.323 1.091 1.00 0.00 C ATOM 0 H ILE A 44 5.475 4.192 3.706 1.00 0.00 H new ATOM 0 HA ILE A 44 5.308 1.953 2.019 1.00 0.00 H new ATOM 0 HB ILE A 44 7.722 2.959 3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.377 3.916 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.910 4.851 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.004 1.982 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.036 0.752 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.495 1.379 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.358 5.241 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.266 4.451 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.725 3.502 0.420 1.00 0.00 H new ATOM 458 N GLN A 45 6.121 1.361 5.177 1.00 0.00 N ATOM 459 CA GLN A 45 6.199 0.317 6.191 1.00 0.00 C ATOM 460 C GLN A 45 4.861 -0.398 6.337 1.00 0.00 C ATOM 461 O GLN A 45 4.812 -1.616 6.515 1.00 0.00 O ATOM 462 CB GLN A 45 6.626 0.910 7.534 1.00 0.00 C ATOM 463 CG GLN A 45 7.148 -0.123 8.519 1.00 0.00 C ATOM 464 CD GLN A 45 6.841 0.236 9.959 1.00 0.00 C ATOM 465 OE1 GLN A 45 6.854 1.410 10.334 1.00 0.00 O ATOM 466 NE2 GLN A 45 6.563 -0.774 10.775 1.00 0.00 N ATOM 0 H GLN A 45 6.303 2.303 5.524 1.00 0.00 H new ATOM 0 HA GLN A 45 6.946 -0.410 5.872 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.400 1.658 7.361 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.776 1.427 7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.708 -1.093 8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.226 -0.224 8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.564 -1.731 10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.349 -0.593 11.756 1.00 0.00 H new ATOM 475 N GLN A 46 3.777 0.366 6.258 1.00 0.00 N ATOM 476 CA GLN A 46 2.437 -0.197 6.381 1.00 0.00 C ATOM 477 C GLN A 46 2.110 -1.087 5.187 1.00 0.00 C ATOM 478 O GLN A 46 1.551 -2.173 5.343 1.00 0.00 O ATOM 479 CB GLN A 46 1.400 0.922 6.502 1.00 0.00 C ATOM 480 CG GLN A 46 1.028 1.255 7.937 1.00 0.00 C ATOM 481 CD GLN A 46 0.473 0.060 8.688 1.00 0.00 C ATOM 482 OE1 GLN A 46 0.071 -0.934 8.084 1.00 0.00 O ATOM 483 NE2 GLN A 46 0.447 0.154 10.011 1.00 0.00 N ATOM 0 H GLN A 46 3.799 1.375 6.110 1.00 0.00 H new ATOM 0 HA GLN A 46 2.407 -0.808 7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.788 1.819 6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.500 0.632 5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.908 1.631 8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.289 2.057 7.940 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.791 0.998 10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.083 -0.618 10.570 1.00 0.00 H new ATOM 492 N ALA A 47 2.460 -0.619 3.994 1.00 0.00 N ATOM 493 CA ALA A 47 2.202 -1.371 2.771 1.00 0.00 C ATOM 494 C ALA A 47 3.089 -2.609 2.689 1.00 0.00 C ATOM 495 O ALA A 47 2.621 -3.697 2.350 1.00 0.00 O ATOM 496 CB ALA A 47 2.412 -0.484 1.554 1.00 0.00 C ATOM 0 H ALA A 47 2.923 0.278 3.848 1.00 0.00 H new ATOM 0 HA ALA A 47 1.164 -1.703 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.216 -1.057 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.730 0.365 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.440 -0.123 1.540 1.00 0.00 H new ATOM 502 N VAL A 48 4.370 -2.442 3.006 1.00 0.00 N ATOM 503 CA VAL A 48 5.320 -3.550 2.973 1.00 0.00 C ATOM 504 C VAL A 48 4.820 -4.713 3.825 1.00 0.00 C ATOM 505 O VAL A 48 4.744 -5.852 3.361 1.00 0.00 O ATOM 506 CB VAL A 48 6.714 -3.111 3.469 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.666 -4.297 3.535 1.00 0.00 C ATOM 508 CG2 VAL A 48 7.278 -2.023 2.571 1.00 0.00 C ATOM 0 H VAL A 48 4.774 -1.549 3.289 1.00 0.00 H new ATOM 0 HA VAL A 48 5.406 -3.873 1.936 1.00 0.00 H new ATOM 0 HB VAL A 48 6.606 -2.708 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.641 -3.961 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.269 -5.044 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.770 -4.736 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.261 -1.725 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.367 -2.402 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.611 -1.161 2.581 1.00 0.00 H new ATOM 518 N THR A 49 4.475 -4.416 5.071 1.00 0.00 N ATOM 519 CA THR A 49 3.973 -5.434 5.988 1.00 0.00 C ATOM 520 C THR A 49 2.725 -6.102 5.418 1.00 0.00 C ATOM 521 O THR A 49 2.609 -7.328 5.411 1.00 0.00 O ATOM 522 CB THR A 49 3.658 -4.813 7.351 1.00 0.00 C ATOM 523 OG1 THR A 49 4.812 -4.208 7.906 1.00 0.00 O ATOM 524 CG2 THR A 49 3.132 -5.811 8.360 1.00 0.00 C ATOM 0 H THR A 49 4.533 -3.479 5.471 1.00 0.00 H new ATOM 0 HA THR A 49 4.746 -6.192 6.115 1.00 0.00 H new ATOM 0 HB THR A 49 2.880 -4.075 7.157 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.942 -3.323 7.506 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.930 -5.303 9.303 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.212 -6.258 7.984 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.875 -6.592 8.521 1.00 0.00 H new ATOM 532 N ARG A 50 1.795 -5.283 4.935 1.00 0.00 N ATOM 533 CA ARG A 50 0.556 -5.788 4.358 1.00 0.00 C ATOM 534 C ARG A 50 0.830 -6.573 3.079 1.00 0.00 C ATOM 535 O ARG A 50 0.096 -7.500 2.737 1.00 0.00 O ATOM 536 CB ARG A 50 -0.404 -4.630 4.068 1.00 0.00 C ATOM 537 CG ARG A 50 -1.724 -4.731 4.816 1.00 0.00 C ATOM 538 CD ARG A 50 -2.852 -5.177 3.900 1.00 0.00 C ATOM 539 NE ARG A 50 -2.882 -6.628 3.733 1.00 0.00 N ATOM 540 CZ ARG A 50 -3.389 -7.468 4.634 1.00 0.00 C ATOM 541 NH1 ARG A 50 -3.910 -7.004 5.764 1.00 0.00 N ATOM 542 NH2 ARG A 50 -3.376 -8.773 4.404 1.00 0.00 N ATOM 0 H ARG A 50 1.877 -4.266 4.932 1.00 0.00 H new ATOM 0 HA ARG A 50 0.095 -6.461 5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.083 -3.691 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.605 -4.595 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.623 -5.437 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.970 -3.763 5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.805 -4.840 4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.736 -4.702 2.926 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.492 -7.021 2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.923 -6.000 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.297 -7.651 6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.978 -9.134 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.764 -9.416 5.094 1.00 0.00 H new ATOM 556 N TYR A 51 1.895 -6.198 2.374 1.00 0.00 N ATOM 557 CA TYR A 51 2.263 -6.870 1.133 1.00 0.00 C ATOM 558 C TYR A 51 2.591 -8.338 1.390 1.00 0.00 C ATOM 559 O TYR A 51 1.980 -9.231 0.802 1.00 0.00 O ATOM 560 CB TYR A 51 3.458 -6.162 0.481 1.00 0.00 C ATOM 561 CG TYR A 51 4.152 -6.980 -0.586 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.550 -7.209 -1.816 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.410 -7.526 -0.359 1.00 0.00 C ATOM 564 CE1 TYR A 51 4.182 -7.960 -2.789 1.00 0.00 C ATOM 565 CE2 TYR A 51 6.047 -8.276 -1.327 1.00 0.00 C ATOM 566 CZ TYR A 51 5.429 -8.490 -2.541 1.00 0.00 C ATOM 567 OH TYR A 51 6.061 -9.238 -3.509 1.00 0.00 O ATOM 0 H TYR A 51 2.516 -5.434 2.641 1.00 0.00 H new ATOM 0 HA TYR A 51 1.413 -6.824 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.116 -5.225 0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.181 -5.905 1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.573 -6.794 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.897 -7.361 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.700 -8.131 -3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.024 -8.693 -1.135 1.00 0.00 H new ATOM 0 HH TYR A 51 6.896 -9.603 -3.147 1.00 0.00 H new ATOM 577 N ARG A 52 3.558 -8.583 2.269 1.00 0.00 N ATOM 578 CA ARG A 52 3.961 -9.946 2.595 1.00 0.00 C ATOM 579 C ARG A 52 2.796 -10.728 3.192 1.00 0.00 C ATOM 580 O ARG A 52 2.646 -11.923 2.940 1.00 0.00 O ATOM 581 CB ARG A 52 5.148 -9.940 3.564 1.00 0.00 C ATOM 582 CG ARG A 52 4.866 -9.234 4.881 1.00 0.00 C ATOM 583 CD ARG A 52 5.715 -9.803 6.007 1.00 0.00 C ATOM 584 NE ARG A 52 5.594 -9.020 7.234 1.00 0.00 N ATOM 585 CZ ARG A 52 6.258 -7.890 7.462 1.00 0.00 C ATOM 586 NH1 ARG A 52 7.086 -7.400 6.547 1.00 0.00 N ATOM 587 NH2 ARG A 52 6.092 -7.244 8.608 1.00 0.00 N ATOM 0 H ARG A 52 4.075 -7.858 2.766 1.00 0.00 H new ATOM 0 HA ARG A 52 4.268 -10.437 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.441 -10.969 3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.997 -9.458 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.067 -8.168 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.810 -9.336 5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.414 -10.832 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.759 -9.830 5.696 1.00 0.00 H new ATOM 0 HE ARG A 52 4.963 -9.360 7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.216 -7.890 5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.592 -6.533 6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.455 -7.614 9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.601 -6.378 8.783 1.00 0.00 H new ATOM 601 N LYS A 53 1.972 -10.048 3.983 1.00 0.00 N ATOM 602 CA LYS A 53 0.822 -10.683 4.614 1.00 0.00 C ATOM 603 C LYS A 53 -0.277 -10.972 3.593 1.00 0.00 C ATOM 604 O LYS A 53 -1.069 -11.897 3.767 1.00 0.00 O ATOM 605 CB LYS A 53 0.274 -9.798 5.735 1.00 0.00 C ATOM 606 CG LYS A 53 -0.589 -10.545 6.740 1.00 0.00 C ATOM 607 CD LYS A 53 0.142 -11.738 7.340 1.00 0.00 C ATOM 608 CE LYS A 53 1.475 -11.333 7.950 1.00 0.00 C ATOM 609 NZ LYS A 53 2.183 -12.493 8.560 1.00 0.00 N ATOM 0 H LYS A 53 2.080 -9.058 4.202 1.00 0.00 H new ATOM 0 HA LYS A 53 1.154 -11.631 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.109 -9.335 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.313 -8.992 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.889 -9.865 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.502 -10.887 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.482 -12.200 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.309 -12.489 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.105 -10.887 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.309 -10.569 8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.854 -12.152 9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.490 -13.127 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.700 -13.012 7.822 1.00 0.00 H new ATOM 623 N ALA A 54 -0.325 -10.169 2.533 1.00 0.00 N ATOM 624 CA ALA A 54 -1.333 -10.338 1.492 1.00 0.00 C ATOM 625 C ALA A 54 -0.910 -11.389 0.469 1.00 0.00 C ATOM 626 O ALA A 54 -1.744 -12.129 -0.054 1.00 0.00 O ATOM 627 CB ALA A 54 -1.602 -9.009 0.801 1.00 0.00 C ATOM 0 H ALA A 54 0.321 -9.396 2.373 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.250 -10.686 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.356 -9.148 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.962 -8.285 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.681 -8.641 0.349 1.00 0.00 H new ATOM 633 N VAL A 55 0.386 -11.446 0.183 1.00 0.00 N ATOM 634 CA VAL A 55 0.914 -12.404 -0.782 1.00 0.00 C ATOM 635 C VAL A 55 1.125 -13.785 -0.155 1.00 0.00 C ATOM 636 O VAL A 55 1.595 -14.707 -0.820 1.00 0.00 O ATOM 637 CB VAL A 55 2.244 -11.914 -1.387 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.309 -11.794 -0.310 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.702 -12.843 -2.501 1.00 0.00 C ATOM 0 H VAL A 55 1.090 -10.841 0.605 1.00 0.00 H new ATOM 0 HA VAL A 55 0.169 -12.489 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 55 2.082 -10.925 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.241 -11.447 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.982 -11.081 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.469 -12.768 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.643 -12.479 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.846 -13.847 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.947 -12.870 -3.286 1.00 0.00 H new ATOM 649 N ALA A 56 0.775 -13.921 1.124 1.00 0.00 N ATOM 650 CA ALA A 56 0.923 -15.190 1.831 1.00 0.00 C ATOM 651 C ALA A 56 2.381 -15.467 2.191 1.00 0.00 C ATOM 652 O ALA A 56 2.799 -16.621 2.278 1.00 0.00 O ATOM 653 CB ALA A 56 0.358 -16.335 1.003 1.00 0.00 C ATOM 0 H ALA A 56 0.387 -13.167 1.691 1.00 0.00 H new ATOM 0 HA ALA A 56 0.358 -15.114 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.478 -17.272 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.701 -16.159 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.891 -16.396 0.054 1.00 0.00 H new ATOM 659 N LYS A 57 3.151 -14.405 2.409 1.00 0.00 N ATOM 660 CA LYS A 57 4.557 -14.545 2.769 1.00 0.00 C ATOM 661 C LYS A 57 4.740 -14.393 4.276 1.00 0.00 C ATOM 662 O LYS A 57 3.765 -14.371 5.028 1.00 0.00 O ATOM 663 CB LYS A 57 5.409 -13.511 2.028 1.00 0.00 C ATOM 664 CG LYS A 57 6.259 -14.112 0.920 1.00 0.00 C ATOM 665 CD LYS A 57 6.405 -13.157 -0.255 1.00 0.00 C ATOM 666 CE LYS A 57 7.327 -13.724 -1.321 1.00 0.00 C ATOM 667 NZ LYS A 57 8.114 -12.658 -2.001 1.00 0.00 N ATOM 0 H LYS A 57 2.826 -13.441 2.343 1.00 0.00 H new ATOM 0 HA LYS A 57 4.886 -15.542 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.755 -12.750 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.060 -13.008 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.245 -14.361 1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.807 -15.043 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.425 -12.959 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.797 -12.203 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.008 -14.443 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.737 -14.266 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.418 -12.994 -2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.524 -11.809 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.950 -12.425 -1.429 1.00 0.00 H new ATOM 681 N ASP A 58 5.990 -14.292 4.716 1.00 0.00 N ATOM 682 CA ASP A 58 6.283 -14.145 6.137 1.00 0.00 C ATOM 683 C ASP A 58 7.671 -13.542 6.348 1.00 0.00 C ATOM 684 O ASP A 58 8.447 -13.409 5.404 1.00 0.00 O ATOM 685 CB ASP A 58 6.184 -15.502 6.837 1.00 0.00 C ATOM 686 CG ASP A 58 4.951 -15.611 7.716 1.00 0.00 C ATOM 687 OD1 ASP A 58 4.036 -14.774 7.562 1.00 0.00 O ATOM 688 OD2 ASP A 58 4.904 -16.530 8.559 1.00 0.00 O ATOM 0 H ASP A 58 6.812 -14.309 4.113 1.00 0.00 H new ATOM 0 HA ASP A 58 5.548 -13.467 6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.164 -16.294 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.075 -15.660 7.444 1.00 0.00 H new ATOM 693 N PRO A 59 8.000 -13.164 7.597 1.00 0.00 N ATOM 694 CA PRO A 59 9.301 -12.569 7.924 1.00 0.00 C ATOM 695 C PRO A 59 10.448 -13.565 7.783 1.00 0.00 C ATOM 696 O PRO A 59 11.144 -13.871 8.752 1.00 0.00 O ATOM 697 CB PRO A 59 9.142 -12.134 9.383 1.00 0.00 C ATOM 698 CG PRO A 59 8.069 -13.011 9.929 1.00 0.00 C ATOM 699 CD PRO A 59 7.132 -13.281 8.785 1.00 0.00 C ATOM 0 HA PRO A 59 9.553 -11.751 7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.073 -12.258 9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.867 -11.082 9.454 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.485 -13.940 10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.548 -12.523 10.753 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.683 -14.271 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.314 -12.561 8.757 1.00 0.00 H new ATOM 707 N ASN A 60 10.643 -14.061 6.566 1.00 0.00 N ATOM 708 CA ASN A 60 11.706 -15.017 6.284 1.00 0.00 C ATOM 709 C ASN A 60 12.606 -14.498 5.170 1.00 0.00 C ATOM 710 O ASN A 60 13.830 -14.623 5.234 1.00 0.00 O ATOM 711 CB ASN A 60 11.115 -16.373 5.895 1.00 0.00 C ATOM 712 CG ASN A 60 10.200 -16.282 4.691 1.00 0.00 C ATOM 713 OD1 ASN A 60 10.654 -16.312 3.547 1.00 0.00 O ATOM 714 ND2 ASN A 60 8.901 -16.169 4.942 1.00 0.00 N ATOM 0 H ASN A 60 10.075 -13.815 5.755 1.00 0.00 H new ATOM 0 HA ASN A 60 12.304 -15.143 7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.925 -17.071 5.680 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.559 -16.780 6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.236 -16.103 4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.568 -16.148 5.906 1.00 0.00 H new ATOM 721 N TYR A 61 11.989 -13.908 4.153 1.00 0.00 N ATOM 722 CA TYR A 61 12.725 -13.357 3.023 1.00 0.00 C ATOM 723 C TYR A 61 12.964 -11.861 3.224 1.00 0.00 C ATOM 724 O TYR A 61 12.170 -11.183 3.878 1.00 0.00 O ATOM 725 CB TYR A 61 11.962 -13.616 1.718 1.00 0.00 C ATOM 726 CG TYR A 61 10.814 -12.661 1.466 1.00 0.00 C ATOM 727 CD1 TYR A 61 9.642 -12.736 2.210 1.00 0.00 C ATOM 728 CD2 TYR A 61 10.905 -11.686 0.481 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.595 -11.865 1.978 1.00 0.00 C ATOM 730 CE2 TYR A 61 9.861 -10.813 0.245 1.00 0.00 C ATOM 731 CZ TYR A 61 8.710 -10.906 0.996 1.00 0.00 C ATOM 732 OH TYR A 61 7.668 -10.038 0.762 1.00 0.00 O ATOM 0 H TYR A 61 10.977 -13.799 4.088 1.00 0.00 H new ATOM 0 HA TYR A 61 13.694 -13.852 2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.661 -13.553 0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.575 -14.635 1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.549 -13.486 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.806 -11.609 -0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.691 -11.936 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.947 -10.061 -0.525 1.00 0.00 H new ATOM 0 HH TYR A 61 6.860 -10.370 1.205 1.00 0.00 H new ATOM 742 N TRP A 62 14.060 -11.350 2.670 1.00 0.00 N ATOM 743 CA TRP A 62 14.384 -9.936 2.807 1.00 0.00 C ATOM 744 C TRP A 62 13.551 -9.091 1.850 1.00 0.00 C ATOM 745 O TRP A 62 13.138 -9.563 0.789 1.00 0.00 O ATOM 746 CB TRP A 62 15.880 -9.698 2.558 1.00 0.00 C ATOM 747 CG TRP A 62 16.200 -9.289 1.150 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.884 -9.970 0.013 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.885 -8.105 0.731 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.339 -9.292 -1.088 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.958 -8.141 -0.675 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.446 -7.018 1.405 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.567 -7.134 -1.417 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.050 -6.017 0.666 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.108 -6.081 -0.731 1.00 0.00 C ATOM 0 H TRP A 62 14.733 -11.890 2.126 1.00 0.00 H new ATOM 0 HA TRP A 62 14.147 -9.635 3.827 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.234 -8.926 3.241 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.428 -10.610 2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.351 -10.909 -0.017 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.234 -9.595 -2.056 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.409 -6.960 2.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.611 -7.182 -2.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.485 -5.170 1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.589 -5.284 -1.278 1.00 0.00 H new ATOM 766 N ILE A 63 13.326 -7.836 2.232 1.00 0.00 N ATOM 767 CA ILE A 63 12.559 -6.911 1.410 1.00 0.00 C ATOM 768 C ILE A 63 13.184 -5.519 1.433 1.00 0.00 C ATOM 769 O ILE A 63 13.152 -4.830 2.451 1.00 0.00 O ATOM 770 CB ILE A 63 11.094 -6.813 1.889 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.436 -8.191 1.867 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.305 -5.836 1.024 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.105 -8.237 2.585 1.00 0.00 C ATOM 0 H ILE A 63 13.666 -7.438 3.108 1.00 0.00 H new ATOM 0 HA ILE A 63 12.573 -7.300 0.392 1.00 0.00 H new ATOM 0 HB ILE A 63 11.094 -6.440 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.292 -8.499 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.111 -8.914 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.276 -5.784 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.760 -4.848 1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.314 -6.178 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.696 -9.246 2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.245 -7.960 3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.413 -7.538 2.114 1.00 0.00 H new ATOM 785 N GLN A 64 13.742 -5.110 0.298 1.00 0.00 N ATOM 786 CA GLN A 64 14.363 -3.795 0.183 1.00 0.00 C ATOM 787 C GLN A 64 13.436 -2.833 -0.551 1.00 0.00 C ATOM 788 O GLN A 64 13.329 -2.875 -1.776 1.00 0.00 O ATOM 789 CB GLN A 64 15.701 -3.902 -0.552 1.00 0.00 C ATOM 790 CG GLN A 64 16.853 -3.237 0.182 1.00 0.00 C ATOM 791 CD GLN A 64 16.913 -1.742 -0.062 1.00 0.00 C ATOM 792 OE1 GLN A 64 16.799 -0.944 0.868 1.00 0.00 O ATOM 793 NE2 GLN A 64 17.094 -1.354 -1.319 1.00 0.00 N ATOM 0 H GLN A 64 13.777 -5.669 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 64 14.544 -3.409 1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.938 -4.955 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.601 -3.450 -1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.754 -3.423 1.251 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.792 -3.691 -0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.184 -2.050 -2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.143 -0.360 -1.544 1.00 0.00 H new ATOM 802 N VAL A 65 12.766 -1.972 0.206 1.00 0.00 N ATOM 803 CA VAL A 65 11.840 -1.004 -0.373 1.00 0.00 C ATOM 804 C VAL A 65 12.579 0.233 -0.872 1.00 0.00 C ATOM 805 O VAL A 65 12.878 1.143 -0.097 1.00 0.00 O ATOM 806 CB VAL A 65 10.762 -0.573 0.642 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.602 0.110 -0.069 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.268 -1.765 1.449 1.00 0.00 C ATOM 0 H VAL A 65 12.846 -1.924 1.222 1.00 0.00 H new ATOM 0 HA VAL A 65 11.354 -1.498 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 65 11.212 0.140 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.851 0.407 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.966 0.993 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.157 -0.581 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.508 -1.435 2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.838 -2.507 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.103 -2.208 1.992 1.00 0.00 H new ATOM 818 N HIS A 66 12.871 0.264 -2.169 1.00 0.00 N ATOM 819 CA HIS A 66 13.576 1.394 -2.767 1.00 0.00 C ATOM 820 C HIS A 66 12.805 2.693 -2.555 1.00 0.00 C ATOM 821 O HIS A 66 13.161 3.505 -1.699 1.00 0.00 O ATOM 822 CB HIS A 66 13.800 1.156 -4.261 1.00 0.00 C ATOM 823 CG HIS A 66 14.855 0.133 -4.551 1.00 0.00 C ATOM 824 ND1 HIS A 66 16.197 0.349 -4.317 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.760 -1.120 -5.056 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.881 -0.725 -4.667 1.00 0.00 C ATOM 827 NE2 HIS A 66 16.033 -1.631 -5.118 1.00 0.00 N ATOM 0 H HIS A 66 12.631 -0.479 -2.825 1.00 0.00 H new ATOM 0 HA HIS A 66 14.544 1.484 -2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.862 0.837 -4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.079 2.098 -4.733 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.852 -1.623 -5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.952 -0.842 -4.596 1.00 0.00 H new ATOM 0 HE2 HIS A 66 16.283 -2.560 -5.457 1.00 0.00 H new ATOM 836 N ARG A 67 11.752 2.887 -3.341 1.00 0.00 N ATOM 837 CA ARG A 67 10.934 4.093 -3.239 1.00 0.00 C ATOM 838 C ARG A 67 9.592 3.910 -3.943 1.00 0.00 C ATOM 839 O ARG A 67 9.289 2.832 -4.453 1.00 0.00 O ATOM 840 CB ARG A 67 11.678 5.289 -3.835 1.00 0.00 C ATOM 841 CG ARG A 67 12.100 5.083 -5.284 1.00 0.00 C ATOM 842 CD ARG A 67 11.488 6.129 -6.206 1.00 0.00 C ATOM 843 NE ARG A 67 12.510 6.886 -6.924 1.00 0.00 N ATOM 844 CZ ARG A 67 13.255 6.381 -7.905 1.00 0.00 C ATOM 845 NH1 ARG A 67 13.092 5.121 -8.289 1.00 0.00 N ATOM 846 NH2 ARG A 67 14.165 7.138 -8.504 1.00 0.00 N ATOM 0 H ARG A 67 11.444 2.227 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 67 10.742 4.281 -2.183 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.040 6.171 -3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.563 5.493 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.187 5.127 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.799 4.088 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.828 5.640 -6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.873 6.813 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 67 12.662 7.859 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.393 4.535 -7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.665 4.739 -9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.294 8.107 -8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.736 6.751 -9.256 1.00 0.00 H new ATOM 860 N LEU A 68 8.794 4.974 -3.968 1.00 0.00 N ATOM 861 CA LEU A 68 7.482 4.936 -4.607 1.00 0.00 C ATOM 862 C LEU A 68 7.404 5.947 -5.748 1.00 0.00 C ATOM 863 O LEU A 68 8.198 6.886 -5.814 1.00 0.00 O ATOM 864 CB LEU A 68 6.387 5.227 -3.580 1.00 0.00 C ATOM 865 CG LEU A 68 5.884 4.010 -2.802 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.064 3.101 -3.705 1.00 0.00 C ATOM 867 CD2 LEU A 68 7.052 3.246 -2.193 1.00 0.00 C ATOM 0 H LEU A 68 9.033 5.874 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 68 7.333 3.938 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.764 5.962 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.542 5.685 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 68 5.243 4.360 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.715 2.241 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.207 3.651 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.682 2.759 -4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.675 2.383 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.719 2.908 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.599 3.899 -1.513 1.00 0.00 H new ATOM 879 N GLU A 69 6.442 5.749 -6.642 1.00 0.00 N ATOM 880 CA GLU A 69 6.257 6.644 -7.780 1.00 0.00 C ATOM 881 C GLU A 69 4.799 6.653 -8.231 1.00 0.00 C ATOM 882 O GLU A 69 4.155 5.607 -8.302 1.00 0.00 O ATOM 883 CB GLU A 69 7.163 6.224 -8.939 1.00 0.00 C ATOM 884 CG GLU A 69 7.330 7.301 -9.999 1.00 0.00 C ATOM 885 CD GLU A 69 8.757 7.404 -10.503 1.00 0.00 C ATOM 886 OE1 GLU A 69 9.688 7.216 -9.692 1.00 0.00 O ATOM 887 OE2 GLU A 69 8.943 7.673 -11.708 1.00 0.00 O ATOM 0 H GLU A 69 5.777 4.976 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 69 6.527 7.653 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.144 5.958 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.753 5.328 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.667 7.087 -10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.023 8.262 -9.587 1.00 0.00 H new ATOM 894 N HIS A 70 4.284 7.840 -8.535 1.00 0.00 N ATOM 895 CA HIS A 70 2.902 7.983 -8.977 1.00 0.00 C ATOM 896 C HIS A 70 2.682 7.272 -10.311 1.00 0.00 C ATOM 897 O HIS A 70 1.587 6.784 -10.590 1.00 0.00 O ATOM 898 CB HIS A 70 2.535 9.463 -9.107 1.00 0.00 C ATOM 899 CG HIS A 70 1.898 10.032 -7.877 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.648 9.658 -7.432 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.348 10.956 -6.995 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.356 10.326 -6.330 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.370 11.120 -6.044 1.00 0.00 N ATOM 0 H HIS A 70 4.803 8.717 -8.483 1.00 0.00 H new ATOM 0 HA HIS A 70 2.258 7.522 -8.229 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.435 10.033 -9.337 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.855 9.588 -9.949 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.043 8.972 -7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.298 11.468 -7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.557 10.237 -5.760 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.420 11.753 -5.246 1.00 0.00 H new ATOM 912 N GLY A 71 3.729 7.216 -11.126 1.00 0.00 N ATOM 913 CA GLY A 71 3.627 6.562 -12.417 1.00 0.00 C ATOM 914 C GLY A 71 4.673 7.051 -13.400 1.00 0.00 C ATOM 915 O GLY A 71 5.608 6.322 -13.735 1.00 0.00 O ATOM 0 H GLY A 71 4.646 7.611 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.733 5.485 -12.285 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.634 6.736 -12.831 1.00 0.00 H new ATOM 919 N ASP A 72 4.517 8.285 -13.865 1.00 0.00 N ATOM 920 CA ASP A 72 5.454 8.870 -14.816 1.00 0.00 C ATOM 921 C ASP A 72 5.576 10.375 -14.608 1.00 0.00 C ATOM 922 O ASP A 72 5.734 11.133 -15.564 1.00 0.00 O ATOM 923 CB ASP A 72 5.008 8.574 -16.250 1.00 0.00 C ATOM 924 CG ASP A 72 6.177 8.300 -17.174 1.00 0.00 C ATOM 925 OD1 ASP A 72 6.812 7.235 -17.029 1.00 0.00 O ATOM 926 OD2 ASP A 72 6.459 9.151 -18.045 1.00 0.00 O ATOM 0 H ASP A 72 3.749 8.901 -13.598 1.00 0.00 H new ATOM 0 HA ASP A 72 6.432 8.420 -14.647 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.340 7.713 -16.249 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.437 9.420 -16.632 1.00 0.00 H new ATOM 931 N GLY A 73 5.499 10.802 -13.351 1.00 0.00 N ATOM 932 CA GLY A 73 5.602 12.216 -13.041 1.00 0.00 C ATOM 933 C GLY A 73 5.102 12.542 -11.648 1.00 0.00 C ATOM 934 O GLY A 73 4.117 13.263 -11.489 1.00 0.00 O ATOM 0 H GLY A 73 5.367 10.194 -12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.642 12.530 -13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.030 12.788 -13.772 1.00 0.00 H new ATOM 938 N GLY A 74 5.781 12.010 -10.637 1.00 0.00 N ATOM 939 CA GLY A 74 5.384 12.260 -9.265 1.00 0.00 C ATOM 940 C GLY A 74 5.979 11.257 -8.297 1.00 0.00 C ATOM 941 O GLY A 74 5.250 10.531 -7.621 1.00 0.00 O ATOM 0 H GLY A 74 6.599 11.410 -10.744 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.694 13.265 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.297 12.229 -9.193 1.00 0.00 H new ATOM 945 N ILE A 75 7.305 11.215 -8.231 1.00 0.00 N ATOM 946 CA ILE A 75 7.997 10.293 -7.340 1.00 0.00 C ATOM 947 C ILE A 75 7.603 10.535 -5.887 1.00 0.00 C ATOM 948 O ILE A 75 7.171 11.629 -5.525 1.00 0.00 O ATOM 949 CB ILE A 75 9.527 10.420 -7.471 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.938 10.400 -8.947 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.216 9.301 -6.703 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.436 10.369 -9.159 1.00 0.00 C ATOM 0 H ILE A 75 7.922 11.809 -8.785 1.00 0.00 H new ATOM 0 HA ILE A 75 7.698 9.287 -7.635 1.00 0.00 H new ATOM 0 HB ILE A 75 9.839 11.372 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.493 9.528 -9.427 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.528 11.280 -9.442 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.297 9.402 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.943 9.361 -5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.903 8.337 -7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.652 10.356 -10.227 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.886 11.254 -8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.851 9.475 -8.694 1.00 0.00 H new ATOM 964 N LEU A 76 7.754 9.507 -5.060 1.00 0.00 N ATOM 965 CA LEU A 76 7.415 9.609 -3.646 1.00 0.00 C ATOM 966 C LEU A 76 8.550 9.084 -2.773 1.00 0.00 C ATOM 967 O LEU A 76 8.957 7.929 -2.893 1.00 0.00 O ATOM 968 CB LEU A 76 6.130 8.834 -3.351 1.00 0.00 C ATOM 969 CG LEU A 76 4.935 9.201 -4.234 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.862 8.281 -5.442 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.642 9.138 -3.435 1.00 0.00 C ATOM 0 H LEU A 76 8.109 8.594 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 76 7.259 10.662 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.332 7.769 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.856 8.998 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 76 5.070 10.223 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.006 8.557 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.776 8.376 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.751 7.250 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.803 9.402 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.501 8.128 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.695 9.839 -2.602 1.00 0.00 H new ATOM 983 N ASP A 77 9.050 9.943 -1.890 1.00 0.00 N ATOM 984 CA ASP A 77 10.136 9.572 -0.991 1.00 0.00 C ATOM 985 C ASP A 77 9.628 9.454 0.441 1.00 0.00 C ATOM 986 O ASP A 77 8.502 9.848 0.744 1.00 0.00 O ATOM 987 CB ASP A 77 11.264 10.600 -1.064 1.00 0.00 C ATOM 988 CG ASP A 77 10.763 12.020 -0.889 1.00 0.00 C ATOM 989 OD1 ASP A 77 10.395 12.384 0.248 1.00 0.00 O ATOM 990 OD2 ASP A 77 10.739 12.768 -1.888 1.00 0.00 O ATOM 0 H ASP A 77 8.720 10.902 -1.778 1.00 0.00 H new ATOM 0 HA ASP A 77 10.524 8.603 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.003 10.380 -0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.771 10.512 -2.025 1.00 0.00 H new ATOM 995 N LEU A 78 10.464 8.909 1.318 1.00 0.00 N ATOM 996 CA LEU A 78 10.100 8.736 2.718 1.00 0.00 C ATOM 997 C LEU A 78 10.403 9.996 3.523 1.00 0.00 C ATOM 998 O LEU A 78 11.420 10.075 4.211 1.00 0.00 O ATOM 999 CB LEU A 78 10.848 7.541 3.313 1.00 0.00 C ATOM 1000 CG LEU A 78 11.062 6.369 2.353 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.424 6.469 1.682 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.924 5.045 3.089 1.00 0.00 C ATOM 0 H LEU A 78 11.400 8.579 1.083 1.00 0.00 H new ATOM 0 HA LEU A 78 9.027 8.549 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.820 7.881 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.297 7.183 4.183 1.00 0.00 H new ATOM 0 HG LEU A 78 10.295 6.414 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.558 5.627 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.485 7.401 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.206 6.451 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.079 4.223 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.668 4.991 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.926 4.971 3.521 1.00 0.00 H new ATOM 1014 N ASP A 79 9.513 10.979 3.431 1.00 0.00 N ATOM 1015 CA ASP A 79 9.684 12.237 4.152 1.00 0.00 C ATOM 1016 C ASP A 79 8.526 13.190 3.868 1.00 0.00 C ATOM 1017 O ASP A 79 8.068 13.906 4.757 1.00 0.00 O ATOM 1018 CB ASP A 79 11.010 12.896 3.764 1.00 0.00 C ATOM 1019 CG ASP A 79 12.070 12.740 4.837 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.960 13.416 5.882 1.00 0.00 O ATOM 1021 OD2 ASP A 79 13.009 11.943 4.632 1.00 0.00 O ATOM 0 H ASP A 79 8.666 10.929 2.865 1.00 0.00 H new ATOM 0 HA ASP A 79 9.695 12.016 5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.372 12.458 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.843 13.956 3.573 1.00 0.00 H new ATOM 1026 N ASP A 80 8.061 13.197 2.624 1.00 0.00 N ATOM 1027 CA ASP A 80 6.960 14.066 2.222 1.00 0.00 C ATOM 1028 C ASP A 80 5.621 13.512 2.701 1.00 0.00 C ATOM 1029 O ASP A 80 5.320 12.333 2.508 1.00 0.00 O ATOM 1030 CB ASP A 80 6.941 14.232 0.702 1.00 0.00 C ATOM 1031 CG ASP A 80 8.088 15.089 0.201 1.00 0.00 C ATOM 1032 OD1 ASP A 80 8.211 16.244 0.661 1.00 0.00 O ATOM 1033 OD2 ASP A 80 8.862 14.606 -0.652 1.00 0.00 O ATOM 0 H ASP A 80 8.429 12.610 1.875 1.00 0.00 H new ATOM 0 HA ASP A 80 7.115 15.040 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.992 13.250 0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.995 14.682 0.400 1.00 0.00 H new ATOM 1038 N ILE A 81 4.821 14.371 3.327 1.00 0.00 N ATOM 1039 CA ILE A 81 3.517 13.976 3.836 1.00 0.00 C ATOM 1040 C ILE A 81 2.647 13.373 2.739 1.00 0.00 C ATOM 1041 O ILE A 81 2.871 13.604 1.551 1.00 0.00 O ATOM 1042 CB ILE A 81 2.797 15.180 4.472 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.527 15.585 5.745 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.338 14.857 4.773 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.476 14.519 6.815 1.00 0.00 C ATOM 0 H ILE A 81 5.057 15.349 3.493 1.00 0.00 H new ATOM 0 HA ILE A 81 3.681 13.213 4.597 1.00 0.00 H new ATOM 0 HB ILE A 81 2.809 16.009 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.568 15.805 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.088 16.504 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.858 15.727 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.825 14.596 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.287 14.017 5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.013 14.864 7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.438 14.316 7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.941 13.606 6.442 1.00 0.00 H new ATOM 1057 N LEU A 82 1.656 12.592 3.152 1.00 0.00 N ATOM 1058 CA LEU A 82 0.751 11.946 2.213 1.00 0.00 C ATOM 1059 C LEU A 82 -0.183 12.963 1.562 1.00 0.00 C ATOM 1060 O LEU A 82 -0.265 13.050 0.338 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.063 10.861 2.921 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.080 9.504 2.216 1.00 0.00 C ATOM 1063 CD1 LEU A 82 1.329 8.938 2.115 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -0.993 8.534 2.952 1.00 0.00 C ATOM 0 H LEU A 82 1.460 12.391 4.133 1.00 0.00 H new ATOM 0 HA LEU A 82 1.352 11.485 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.336 10.726 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.090 11.210 3.029 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.467 9.644 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.298 7.972 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.957 9.624 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.743 8.812 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.994 7.573 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.634 8.399 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.007 8.934 2.975 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.889 13.725 2.391 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.823 14.736 1.900 1.00 0.00 C ATOM 1078 C CYS A 83 -1.168 15.646 0.863 1.00 0.00 C ATOM 1079 O CYS A 83 -1.845 16.213 0.006 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.354 15.573 3.068 1.00 0.00 C ATOM 1081 SG CYS A 83 -4.143 15.468 3.298 1.00 0.00 S ATOM 0 H CYS A 83 -0.833 13.663 3.408 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.652 14.218 1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.861 15.251 3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.080 16.616 2.908 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.495 16.206 4.308 1.00 0.00 H new ATOM 1087 N ASP A 84 0.151 15.785 0.948 1.00 0.00 N ATOM 1088 CA ASP A 84 0.891 16.631 0.017 1.00 0.00 C ATOM 1089 C ASP A 84 1.305 15.853 -1.229 1.00 0.00 C ATOM 1090 O ASP A 84 1.331 16.400 -2.331 1.00 0.00 O ATOM 1091 CB ASP A 84 2.129 17.214 0.703 1.00 0.00 C ATOM 1092 CG ASP A 84 1.857 18.567 1.333 1.00 0.00 C ATOM 1093 OD1 ASP A 84 1.382 18.599 2.489 1.00 0.00 O ATOM 1094 OD2 ASP A 84 2.122 19.593 0.674 1.00 0.00 O ATOM 0 H ASP A 84 0.729 15.324 1.651 1.00 0.00 H new ATOM 0 HA ASP A 84 0.234 17.444 -0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.476 16.522 1.470 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.934 17.311 -0.026 1.00 0.00 H new ATOM 1099 N VAL A 85 1.634 14.577 -1.049 1.00 0.00 N ATOM 1100 CA VAL A 85 2.052 13.733 -2.163 1.00 0.00 C ATOM 1101 C VAL A 85 0.898 12.892 -2.696 1.00 0.00 C ATOM 1102 O VAL A 85 0.445 13.086 -3.825 1.00 0.00 O ATOM 1103 CB VAL A 85 3.203 12.804 -1.763 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.787 12.117 -2.988 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.278 13.569 -1.003 1.00 0.00 C ATOM 0 H VAL A 85 1.619 14.106 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 85 2.392 14.407 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 85 2.807 12.035 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.603 11.462 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.012 11.528 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.165 12.869 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.084 12.888 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.673 14.365 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.847 14.002 -0.100 1.00 0.00 H new ATOM 1115 N ALA A 86 0.432 11.956 -1.880 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.667 11.081 -2.270 1.00 0.00 C ATOM 1117 C ALA A 86 -1.969 11.860 -2.418 1.00 0.00 C ATOM 1118 O ALA A 86 -2.030 13.052 -2.113 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.834 9.960 -1.255 1.00 0.00 C ATOM 0 H ALA A 86 0.798 11.783 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.424 10.647 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.658 9.314 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.085 9.376 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.049 10.386 -0.275 1.00 0.00 H new ATOM 1125 N ASP A 87 -3.008 11.177 -2.885 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.314 11.800 -3.073 1.00 0.00 C ATOM 1127 C ASP A 87 -5.434 10.794 -2.827 1.00 0.00 C ATOM 1128 O ASP A 87 -5.238 9.587 -2.967 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.429 12.377 -4.486 1.00 0.00 C ATOM 1130 CG ASP A 87 -4.236 13.881 -4.514 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -3.466 14.396 -3.676 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -4.855 14.543 -5.373 1.00 0.00 O ATOM 0 H ASP A 87 -2.972 10.190 -3.141 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.412 12.610 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.686 11.906 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.408 12.131 -4.897 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.608 11.299 -2.458 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.763 10.445 -2.193 1.00 0.00 C ATOM 1139 C ASP A 88 -7.983 9.451 -3.331 1.00 0.00 C ATOM 1140 O ASP A 88 -8.250 9.841 -4.466 1.00 0.00 O ATOM 1141 CB ASP A 88 -9.017 11.296 -1.994 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.928 12.188 -0.772 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -8.309 13.269 -0.870 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.473 11.804 0.284 1.00 0.00 O ATOM 0 H ASP A 88 -6.785 12.296 -2.336 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.564 9.883 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.177 11.913 -2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.884 10.642 -1.900 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.866 8.165 -3.016 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.049 7.116 -4.011 1.00 0.00 C ATOM 1151 C LYS A 89 -7.029 7.257 -5.137 1.00 0.00 C ATOM 1152 O LYS A 89 -7.393 7.443 -6.299 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.469 7.162 -4.580 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.521 6.601 -3.636 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.925 7.620 -2.581 1.00 0.00 C ATOM 1156 CE LYS A 89 -11.082 6.975 -1.214 1.00 0.00 C ATOM 1157 NZ LYS A 89 -10.505 7.822 -0.132 1.00 0.00 N ATOM 0 H LYS A 89 -7.645 7.825 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.896 6.153 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.722 8.195 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.495 6.602 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.399 6.299 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.134 5.706 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.174 8.408 -2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.863 8.093 -2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.139 6.800 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.592 6.001 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.586 7.325 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.503 8.010 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.023 8.722 -0.082 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.750 7.168 -4.785 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.677 7.288 -5.767 1.00 0.00 C ATOM 1173 C ASP A 90 -3.784 6.052 -5.756 1.00 0.00 C ATOM 1174 O ASP A 90 -3.514 5.478 -4.701 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.839 8.537 -5.488 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.043 8.983 -6.699 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.630 9.634 -7.589 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.832 8.681 -6.758 1.00 0.00 O ATOM 0 H ASP A 90 -5.431 7.013 -3.828 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.132 7.375 -6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.495 9.347 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.157 8.336 -4.662 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.325 5.650 -6.937 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.459 4.484 -7.064 1.00 0.00 C ATOM 1185 C ARG A 91 -0.991 4.898 -7.093 1.00 0.00 C ATOM 1186 O ARG A 91 -0.663 6.021 -7.474 1.00 0.00 O ATOM 1187 CB ARG A 91 -2.805 3.701 -8.333 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.193 3.080 -8.306 1.00 0.00 C ATOM 1189 CD ARG A 91 -4.128 1.562 -8.340 1.00 0.00 C ATOM 1190 NE ARG A 91 -4.036 1.049 -9.705 1.00 0.00 N ATOM 1191 CZ ARG A 91 -5.075 0.943 -10.529 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -6.287 1.314 -10.132 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -4.903 0.464 -11.755 1.00 0.00 N ATOM 0 H ARG A 91 -3.539 6.115 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.621 3.845 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.731 4.367 -9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.066 2.913 -8.476 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.719 3.402 -7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.769 3.439 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.265 1.223 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.014 1.150 -7.857 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.121 0.755 -10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.425 1.683 -9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.080 1.230 -10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.974 0.177 -12.065 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.699 0.383 -12.387 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.114 3.987 -6.686 1.00 0.00 N ATOM 1208 CA LEU A 92 1.318 4.261 -6.663 1.00 0.00 C ATOM 1209 C LEU A 92 2.122 2.991 -6.917 1.00 0.00 C ATOM 1210 O LEU A 92 1.801 1.927 -6.390 1.00 0.00 O ATOM 1211 CB LEU A 92 1.720 4.864 -5.316 1.00 0.00 C ATOM 1212 CG LEU A 92 1.035 6.187 -4.966 1.00 0.00 C ATOM 1213 CD1 LEU A 92 1.256 6.529 -3.499 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.548 7.304 -5.861 1.00 0.00 C ATOM 0 H LEU A 92 -0.370 3.052 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 92 1.536 4.974 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.500 4.140 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.799 5.019 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.036 6.078 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.762 7.473 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.840 5.739 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.324 6.621 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.051 8.238 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.624 7.415 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.338 7.061 -6.903 1.00 0.00 H new ATOM 1226 N VAL A 93 3.173 3.109 -7.723 1.00 0.00 N ATOM 1227 CA VAL A 93 4.026 1.975 -8.038 1.00 0.00 C ATOM 1228 C VAL A 93 5.169 1.867 -7.035 1.00 0.00 C ATOM 1229 O VAL A 93 5.947 2.806 -6.864 1.00 0.00 O ATOM 1230 CB VAL A 93 4.607 2.082 -9.460 1.00 0.00 C ATOM 1231 CG1 VAL A 93 3.562 1.694 -10.495 1.00 0.00 C ATOM 1232 CG2 VAL A 93 5.133 3.484 -9.723 1.00 0.00 C ATOM 0 H VAL A 93 3.452 3.983 -8.169 1.00 0.00 H new ATOM 0 HA VAL A 93 3.406 1.081 -7.982 1.00 0.00 H new ATOM 0 HB VAL A 93 5.443 1.387 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.991 1.776 -11.494 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.241 0.667 -10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.704 2.361 -10.413 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.539 3.537 -10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.320 4.203 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.918 3.719 -9.004 1.00 0.00 H new ATOM 1242 N ALA A 94 5.256 0.725 -6.364 1.00 0.00 N ATOM 1243 CA ALA A 94 6.295 0.505 -5.367 1.00 0.00 C ATOM 1244 C ALA A 94 7.408 -0.391 -5.895 1.00 0.00 C ATOM 1245 O ALA A 94 7.171 -1.535 -6.288 1.00 0.00 O ATOM 1246 CB ALA A 94 5.691 -0.095 -4.107 1.00 0.00 C ATOM 0 H ALA A 94 4.620 -0.062 -6.492 1.00 0.00 H new ATOM 0 HA ALA A 94 6.737 1.473 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.476 -0.256 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.944 0.587 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.219 -1.048 -4.348 1.00 0.00 H new ATOM 1252 N VAL A 95 8.629 0.136 -5.881 1.00 0.00 N ATOM 1253 CA VAL A 95 9.795 -0.609 -6.336 1.00 0.00 C ATOM 1254 C VAL A 95 10.610 -1.087 -5.141 1.00 0.00 C ATOM 1255 O VAL A 95 11.029 -0.287 -4.305 1.00 0.00 O ATOM 1256 CB VAL A 95 10.691 0.246 -7.253 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.786 -0.606 -7.874 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.860 0.929 -8.327 1.00 0.00 C ATOM 0 H VAL A 95 8.835 1.081 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 95 9.436 -1.465 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 95 11.165 1.020 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.409 0.015 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.400 -1.041 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.335 -1.404 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.510 1.528 -8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.355 0.175 -8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.118 1.575 -7.857 1.00 0.00 H new ATOM 1268 N PHE A 96 10.821 -2.394 -5.054 1.00 0.00 N ATOM 1269 CA PHE A 96 11.572 -2.961 -3.943 1.00 0.00 C ATOM 1270 C PHE A 96 12.285 -4.245 -4.346 1.00 0.00 C ATOM 1271 O PHE A 96 12.268 -4.645 -5.509 1.00 0.00 O ATOM 1272 CB PHE A 96 10.632 -3.243 -2.769 1.00 0.00 C ATOM 1273 CG PHE A 96 9.655 -4.352 -3.042 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.746 -4.252 -4.083 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.648 -5.496 -2.261 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.852 -5.271 -4.340 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.755 -6.519 -2.514 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.856 -6.407 -3.555 1.00 0.00 C ATOM 0 H PHE A 96 10.485 -3.076 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 96 12.327 -2.233 -3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.225 -3.499 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.081 -2.334 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.737 -3.366 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.349 -5.589 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.149 -5.180 -5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.760 -7.406 -1.898 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.157 -7.206 -3.755 1.00 0.00 H new ATOM 1288 N ASP A 97 12.897 -4.889 -3.362 1.00 0.00 N ATOM 1289 CA ASP A 97 13.609 -6.140 -3.579 1.00 0.00 C ATOM 1290 C ASP A 97 13.000 -7.236 -2.716 1.00 0.00 C ATOM 1291 O ASP A 97 12.362 -6.952 -1.705 1.00 0.00 O ATOM 1292 CB ASP A 97 15.094 -5.971 -3.250 1.00 0.00 C ATOM 1293 CG ASP A 97 15.966 -5.979 -4.490 1.00 0.00 C ATOM 1294 OD1 ASP A 97 16.176 -4.896 -5.075 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.440 -7.068 -4.875 1.00 0.00 O ATOM 0 H ASP A 97 12.914 -4.561 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 97 13.518 -6.421 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.240 -5.034 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.409 -6.773 -2.583 1.00 0.00 H new ATOM 1300 N GLU A 98 13.192 -8.487 -3.115 1.00 0.00 N ATOM 1301 CA GLU A 98 12.648 -9.609 -2.361 1.00 0.00 C ATOM 1302 C GLU A 98 13.404 -10.896 -2.665 1.00 0.00 C ATOM 1303 O GLU A 98 13.587 -11.261 -3.826 1.00 0.00 O ATOM 1304 CB GLU A 98 11.163 -9.791 -2.681 1.00 0.00 C ATOM 1305 CG GLU A 98 10.870 -9.895 -4.170 1.00 0.00 C ATOM 1306 CD GLU A 98 9.687 -10.794 -4.469 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.719 -10.784 -3.679 1.00 0.00 O ATOM 1308 OE2 GLU A 98 9.729 -11.510 -5.492 1.00 0.00 O ATOM 0 H GLU A 98 13.716 -8.749 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 98 12.764 -9.387 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.800 -10.691 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.605 -8.951 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.675 -8.899 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.752 -10.277 -4.684 1.00 0.00 H new ATOM 1315 N GLN A 99 13.839 -11.586 -1.614 1.00 0.00 N ATOM 1316 CA GLN A 99 14.568 -12.841 -1.783 1.00 0.00 C ATOM 1317 C GLN A 99 13.616 -14.030 -1.728 1.00 0.00 C ATOM 1318 O GLN A 99 13.617 -14.799 -0.766 1.00 0.00 O ATOM 1319 CB GLN A 99 15.661 -12.989 -0.717 1.00 0.00 C ATOM 1320 CG GLN A 99 16.361 -14.341 -0.734 1.00 0.00 C ATOM 1321 CD GLN A 99 16.379 -15.004 0.629 1.00 0.00 C ATOM 1322 OE1 GLN A 99 17.190 -14.659 1.489 1.00 0.00 O ATOM 1323 NE2 GLN A 99 15.483 -15.963 0.834 1.00 0.00 N ATOM 0 H GLN A 99 13.701 -11.301 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 99 15.044 -12.821 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.404 -12.205 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.219 -12.832 0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.860 -14.997 -1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.385 -14.212 -1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.829 -16.217 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.449 -16.445 1.732 1.00 0.00 H new ATOM 1332 N ASP A 100 12.804 -14.172 -2.768 1.00 0.00 N ATOM 1333 CA ASP A 100 11.843 -15.266 -2.847 1.00 0.00 C ATOM 1334 C ASP A 100 12.280 -16.300 -3.879 1.00 0.00 C ATOM 1335 O ASP A 100 12.437 -15.927 -5.060 1.00 0.00 O ATOM 1336 CB ASP A 100 10.456 -14.729 -3.202 1.00 0.00 C ATOM 1337 CG ASP A 100 9.377 -15.786 -3.075 1.00 0.00 C ATOM 1338 OD1 ASP A 100 9.073 -16.189 -1.932 1.00 0.00 O ATOM 1339 OD2 ASP A 100 8.837 -16.212 -4.117 1.00 0.00 O ATOM 1340 OXT ASP A 100 12.465 -17.476 -3.495 1.00 0.00 O ATOM 0 H ASP A 100 12.792 -13.542 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 100 11.799 -15.749 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.217 -13.889 -2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.468 -14.347 -4.223 1.00 0.00 H new TER 1345 ASP A 100