USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 100 SER OG : rot 180:sc=-0.00749 USER MOD Single : A 101 LYS NZ :NH3+ 134:sc= -3.04! (180deg=-5.95!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 120:sc= -0.24 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.902 F(o=-1.9!,f=-0.9) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -19:sc= 0.545 USER MOD Single : A 135 HIS : no HD1:sc= 0.0871 K(o=0.087,f=-4!) USER MOD Single : A 139 SER OG : rot -142:sc= 0.574 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 120:sc= -1.78! USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -1.06 K(o=-1.1,f=-3!) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 65:sc= -1.78! USER MOD Single : A 151 THR OG1 : rot 160:sc= -0.914 USER MOD Single : A 153 LYS NZ :NH3+ -116:sc= 0.599 (180deg=-0.307) USER MOD Single : A 155 HIS : no HD1:sc= -0.241 K(o=-0.24,f=-0.85) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 159 ASN : amide:sc= -0.252 K(o=-0.25,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 22.619 -2.741 -7.078 1.00 0.00 N ATOM 2 CA GLU A 92 21.783 -3.877 -7.547 1.00 0.00 C ATOM 3 C GLU A 92 20.402 -3.396 -7.993 1.00 0.00 C ATOM 4 O GLU A 92 20.259 -2.279 -8.492 1.00 0.00 O ATOM 5 CB GLU A 92 21.657 -4.898 -6.407 1.00 0.00 C ATOM 6 CG GLU A 92 20.815 -4.432 -5.223 1.00 0.00 C ATOM 7 CD GLU A 92 21.395 -3.232 -4.496 1.00 0.00 C ATOM 8 OE1 GLU A 92 21.371 -2.120 -5.062 1.00 0.00 O ATOM 9 OE2 GLU A 92 21.876 -3.407 -3.356 1.00 0.00 O ATOM 0 HA GLU A 92 22.259 -4.343 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 92 21.223 -5.815 -6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 92 22.656 -5.147 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 92 19.814 -4.183 -5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 92 20.708 -5.256 -4.518 1.00 0.00 H new ATOM 18 N ALA A 93 19.390 -4.243 -7.811 1.00 0.00 N ATOM 19 CA ALA A 93 18.024 -3.902 -8.193 1.00 0.00 C ATOM 20 C ALA A 93 17.946 -3.510 -9.668 1.00 0.00 C ATOM 21 O ALA A 93 18.597 -4.123 -10.515 1.00 0.00 O ATOM 22 CB ALA A 93 17.496 -2.783 -7.306 1.00 0.00 C ATOM 0 H ALA A 93 19.492 -5.171 -7.401 1.00 0.00 H new ATOM 0 HA ALA A 93 17.398 -4.783 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.476 -2.536 -7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.505 -3.108 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.128 -1.902 -7.416 1.00 0.00 H new ATOM 28 N GLU A 94 17.150 -2.484 -9.970 1.00 0.00 N ATOM 29 CA GLU A 94 16.993 -2.014 -11.343 1.00 0.00 C ATOM 30 C GLU A 94 16.152 -0.742 -11.386 1.00 0.00 C ATOM 31 O GLU A 94 15.102 -0.659 -10.748 1.00 0.00 O ATOM 32 CB GLU A 94 16.342 -3.096 -12.209 1.00 0.00 C ATOM 33 CG GLU A 94 16.155 -2.681 -13.661 1.00 0.00 C ATOM 34 CD GLU A 94 15.519 -3.771 -14.504 1.00 0.00 C ATOM 35 OE1 GLU A 94 15.222 -4.852 -13.954 1.00 0.00 O ATOM 36 OE2 GLU A 94 15.319 -3.541 -15.716 1.00 0.00 O ATOM 0 H GLU A 94 16.605 -1.964 -9.282 1.00 0.00 H new ATOM 0 HA GLU A 94 17.984 -1.792 -11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.955 -3.997 -12.173 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.371 -3.354 -11.785 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.533 -1.786 -13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.123 -2.416 -14.087 1.00 0.00 H new ATOM 43 N PHE A 95 16.622 0.246 -12.143 1.00 0.00 N ATOM 44 CA PHE A 95 15.918 1.517 -12.273 1.00 0.00 C ATOM 45 C PHE A 95 15.726 2.163 -10.898 1.00 0.00 C ATOM 46 O PHE A 95 16.685 2.299 -10.136 1.00 0.00 O ATOM 47 CB PHE A 95 14.572 1.307 -12.981 1.00 0.00 C ATOM 48 CG PHE A 95 13.919 2.580 -13.449 1.00 0.00 C ATOM 49 CD1 PHE A 95 14.669 3.590 -14.032 1.00 0.00 C ATOM 50 CD2 PHE A 95 12.552 2.765 -13.305 1.00 0.00 C ATOM 51 CE1 PHE A 95 14.070 4.757 -14.463 1.00 0.00 C ATOM 52 CE2 PHE A 95 11.947 3.931 -13.734 1.00 0.00 C ATOM 53 CZ PHE A 95 12.707 4.928 -14.314 1.00 0.00 C ATOM 0 H PHE A 95 17.490 0.190 -12.677 1.00 0.00 H new ATOM 0 HA PHE A 95 16.518 2.194 -12.881 1.00 0.00 H new ATOM 0 HB2 PHE A 95 14.723 0.652 -13.839 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.893 0.791 -12.302 1.00 0.00 H new ATOM 0 HD1 PHE A 95 15.735 3.462 -14.150 1.00 0.00 H new ATOM 0 HD2 PHE A 95 11.953 1.989 -12.852 1.00 0.00 H new ATOM 0 HE1 PHE A 95 14.666 5.535 -14.916 1.00 0.00 H new ATOM 0 HE2 PHE A 95 10.882 4.063 -13.616 1.00 0.00 H new ATOM 0 HZ PHE A 95 12.236 5.840 -14.651 1.00 0.00 H new ATOM 63 N VAL A 96 14.496 2.560 -10.578 1.00 0.00 N ATOM 64 CA VAL A 96 14.209 3.187 -9.292 1.00 0.00 C ATOM 65 C VAL A 96 14.292 2.173 -8.155 1.00 0.00 C ATOM 66 O VAL A 96 13.679 1.108 -8.214 1.00 0.00 O ATOM 67 CB VAL A 96 12.812 3.839 -9.284 1.00 0.00 C ATOM 68 CG1 VAL A 96 12.531 4.487 -7.938 1.00 0.00 C ATOM 69 CG2 VAL A 96 12.692 4.857 -10.408 1.00 0.00 C ATOM 0 H VAL A 96 13.686 2.459 -11.189 1.00 0.00 H new ATOM 0 HA VAL A 96 14.963 3.960 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 96 12.068 3.060 -9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.540 4.942 -7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.571 3.730 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.279 5.254 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.699 5.307 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.445 5.634 -10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.845 4.361 -11.366 1.00 0.00 H new ATOM 79 N ARG A 97 15.053 2.516 -7.120 1.00 0.00 N ATOM 80 CA ARG A 97 15.217 1.642 -5.963 1.00 0.00 C ATOM 81 C ARG A 97 14.038 1.759 -5.011 1.00 0.00 C ATOM 82 O ARG A 97 14.219 1.904 -3.803 1.00 0.00 O ATOM 83 CB ARG A 97 16.509 1.978 -5.225 1.00 0.00 C ATOM 84 CG ARG A 97 16.589 3.430 -4.769 1.00 0.00 C ATOM 85 CD ARG A 97 18.013 3.823 -4.410 1.00 0.00 C ATOM 86 NE ARG A 97 18.933 3.634 -5.530 1.00 0.00 N ATOM 87 CZ ARG A 97 18.843 4.290 -6.684 1.00 0.00 C ATOM 88 NH1 ARG A 97 17.891 5.195 -6.867 1.00 0.00 N ATOM 89 NH2 ARG A 97 19.711 4.044 -7.657 1.00 0.00 N ATOM 0 H ARG A 97 15.567 3.395 -7.059 1.00 0.00 H new ATOM 0 HA ARG A 97 15.264 0.615 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.601 1.327 -4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.356 1.763 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.219 4.082 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.941 3.578 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.033 4.867 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.350 3.229 -3.560 1.00 0.00 H new ATOM 0 HE ARG A 97 19.689 2.959 -5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.223 5.391 -6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.826 5.695 -7.754 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.448 3.352 -7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.642 4.547 -8.542 1.00 0.00 H new ATOM 103 N ILE A 98 12.832 1.698 -5.557 1.00 0.00 N ATOM 104 CA ILE A 98 11.635 1.807 -4.747 1.00 0.00 C ATOM 105 C ILE A 98 10.512 0.937 -5.286 1.00 0.00 C ATOM 106 O ILE A 98 10.307 0.837 -6.496 1.00 0.00 O ATOM 107 CB ILE A 98 11.132 3.264 -4.680 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.178 4.165 -4.027 1.00 0.00 C ATOM 109 CG2 ILE A 98 9.809 3.345 -3.927 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.448 3.836 -2.574 1.00 0.00 C ATOM 0 H ILE A 98 12.660 1.574 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 98 11.910 1.467 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 98 10.966 3.614 -5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.110 4.088 -4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 98 11.847 5.201 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.473 4.381 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.062 2.738 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.945 2.973 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.201 4.518 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.527 3.941 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.810 2.811 -2.494 1.00 0.00 H new ATOM 122 N CYS A 99 9.775 0.330 -4.369 1.00 0.00 N ATOM 123 CA CYS A 99 8.647 -0.514 -4.723 1.00 0.00 C ATOM 124 C CYS A 99 7.639 0.277 -5.556 1.00 0.00 C ATOM 125 O CYS A 99 7.526 1.494 -5.405 1.00 0.00 O ATOM 126 CB CYS A 99 7.998 -1.061 -3.454 1.00 0.00 C ATOM 127 SG CYS A 99 7.974 0.128 -2.073 1.00 0.00 S ATOM 0 H CYS A 99 9.941 0.408 -3.366 1.00 0.00 H new ATOM 0 HA CYS A 99 8.996 -1.354 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 99 6.975 -1.362 -3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.532 -1.958 -3.141 1.00 0.00 H new ATOM 132 N SER A 100 6.935 -0.416 -6.449 1.00 0.00 N ATOM 133 CA SER A 100 5.957 0.225 -7.331 1.00 0.00 C ATOM 134 C SER A 100 5.181 1.326 -6.611 1.00 0.00 C ATOM 135 O SER A 100 4.404 1.062 -5.695 1.00 0.00 O ATOM 136 CB SER A 100 4.983 -0.820 -7.880 1.00 0.00 C ATOM 137 OG SER A 100 4.042 -0.228 -8.759 1.00 0.00 O ATOM 0 H SER A 100 7.023 -1.423 -6.582 1.00 0.00 H new ATOM 0 HA SER A 100 6.505 0.685 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.537 -1.598 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.460 -1.304 -7.055 1.00 0.00 H new ATOM 0 HG SER A 100 3.432 -0.917 -9.097 1.00 0.00 H new ATOM 143 N LYS A 101 5.396 2.565 -7.043 1.00 0.00 N ATOM 144 CA LYS A 101 4.719 3.713 -6.450 1.00 0.00 C ATOM 145 C LYS A 101 3.223 3.671 -6.746 1.00 0.00 C ATOM 146 O LYS A 101 2.437 4.393 -6.133 1.00 0.00 O ATOM 147 CB LYS A 101 5.328 5.018 -6.973 1.00 0.00 C ATOM 148 CG LYS A 101 5.162 5.214 -8.471 1.00 0.00 C ATOM 149 CD LYS A 101 5.857 6.477 -8.966 1.00 0.00 C ATOM 150 CE LYS A 101 5.244 7.742 -8.379 1.00 0.00 C ATOM 151 NZ LYS A 101 5.532 7.890 -6.925 1.00 0.00 N ATOM 0 H LYS A 101 6.035 2.800 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 101 4.856 3.670 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.867 5.858 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.390 5.036 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.567 4.349 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.101 5.266 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.914 6.433 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.799 6.519 -10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.629 8.611 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.165 7.725 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.837 8.865 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.673 7.680 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.287 7.229 -6.652 1.00 0.00 H new ATOM 165 N SER A 102 2.839 2.821 -7.696 1.00 0.00 N ATOM 166 CA SER A 102 1.438 2.678 -8.084 1.00 0.00 C ATOM 167 C SER A 102 0.556 2.390 -6.872 1.00 0.00 C ATOM 168 O SER A 102 -0.561 2.897 -6.773 1.00 0.00 O ATOM 169 CB SER A 102 1.286 1.559 -9.115 1.00 0.00 C ATOM 170 OG SER A 102 -0.065 1.415 -9.517 1.00 0.00 O ATOM 0 H SER A 102 3.481 2.219 -8.212 1.00 0.00 H new ATOM 0 HA SER A 102 1.115 3.621 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.906 1.775 -9.985 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.645 0.620 -8.693 1.00 0.00 H new ATOM 0 HG SER A 102 -0.135 0.694 -10.177 1.00 0.00 H new ATOM 176 N TYR A 103 1.064 1.573 -5.953 1.00 0.00 N ATOM 177 CA TYR A 103 0.320 1.218 -4.747 1.00 0.00 C ATOM 178 C TYR A 103 -0.154 2.464 -4.005 1.00 0.00 C ATOM 179 O TYR A 103 -1.256 2.486 -3.459 1.00 0.00 O ATOM 180 CB TYR A 103 1.179 0.353 -3.818 1.00 0.00 C ATOM 181 CG TYR A 103 1.376 -1.068 -4.305 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.727 -1.334 -5.623 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.210 -2.143 -3.442 1.00 0.00 C ATOM 184 CE1 TYR A 103 1.904 -2.632 -6.066 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.386 -3.443 -3.876 1.00 0.00 C ATOM 186 CZ TYR A 103 1.734 -3.682 -5.188 1.00 0.00 C ATOM 187 OH TYR A 103 1.910 -4.975 -5.625 1.00 0.00 O ATOM 0 H TYR A 103 1.987 1.144 -6.020 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.556 0.647 -5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.155 0.824 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.716 0.327 -2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.864 -0.514 -6.312 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.938 -1.960 -2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.174 -2.823 -7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.252 -4.267 -3.191 1.00 0.00 H new ATOM 0 HH TYR A 103 2.628 -5.400 -5.110 1.00 0.00 H new ATOM 197 N LEU A 104 0.685 3.497 -3.987 1.00 0.00 N ATOM 198 CA LEU A 104 0.352 4.747 -3.307 1.00 0.00 C ATOM 199 C LEU A 104 -1.019 5.263 -3.734 1.00 0.00 C ATOM 200 O LEU A 104 -1.826 5.667 -2.897 1.00 0.00 O ATOM 201 CB LEU A 104 1.419 5.808 -3.593 1.00 0.00 C ATOM 202 CG LEU A 104 2.819 5.484 -3.065 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.811 6.548 -3.509 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.805 5.367 -1.549 1.00 0.00 C ATOM 0 H LEU A 104 1.601 3.493 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 104 0.322 4.545 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.480 5.957 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.094 6.753 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 104 3.131 4.525 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.802 6.304 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.842 6.585 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.501 7.519 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.809 5.136 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.473 6.310 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.123 4.571 -1.252 1.00 0.00 H new ATOM 216 N THR A 105 -1.280 5.246 -5.039 1.00 0.00 N ATOM 217 CA THR A 105 -2.557 5.713 -5.565 1.00 0.00 C ATOM 218 C THR A 105 -3.552 4.564 -5.699 1.00 0.00 C ATOM 219 O THR A 105 -3.228 3.509 -6.244 1.00 0.00 O ATOM 220 CB THR A 105 -2.390 6.404 -6.933 1.00 0.00 C ATOM 221 OG1 THR A 105 -3.668 6.815 -7.433 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.722 5.475 -7.935 1.00 0.00 C ATOM 0 H THR A 105 -0.626 4.915 -5.748 1.00 0.00 H new ATOM 0 HA THR A 105 -2.943 6.440 -4.851 1.00 0.00 H new ATOM 0 HB THR A 105 -1.754 7.279 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.554 7.255 -8.301 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.616 5.987 -8.891 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.737 5.189 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.333 4.582 -8.067 1.00 0.00 H new ATOM 230 N LEU A 106 -4.761 4.777 -5.193 1.00 0.00 N ATOM 231 CA LEU A 106 -5.807 3.761 -5.251 1.00 0.00 C ATOM 232 C LEU A 106 -7.180 4.398 -5.432 1.00 0.00 C ATOM 233 O LEU A 106 -7.533 5.342 -4.725 1.00 0.00 O ATOM 234 CB LEU A 106 -5.792 2.913 -3.976 1.00 0.00 C ATOM 235 CG LEU A 106 -6.972 1.947 -3.819 1.00 0.00 C ATOM 236 CD1 LEU A 106 -7.050 0.993 -5.001 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.856 1.174 -2.515 1.00 0.00 C ATOM 0 H LEU A 106 -5.042 5.645 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.608 3.122 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.867 2.337 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.773 3.581 -3.115 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.891 2.532 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.895 0.317 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.183 1.563 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.128 0.414 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.702 0.493 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.928 0.603 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.855 1.871 -1.677 1.00 0.00 H new ATOM 249 N GLU A 107 -7.954 3.870 -6.375 1.00 0.00 N ATOM 250 CA GLU A 107 -9.293 4.384 -6.635 1.00 0.00 C ATOM 251 C GLU A 107 -10.177 4.193 -5.408 1.00 0.00 C ATOM 252 O GLU A 107 -10.280 3.086 -4.876 1.00 0.00 O ATOM 253 CB GLU A 107 -9.910 3.679 -7.845 1.00 0.00 C ATOM 254 CG GLU A 107 -11.322 4.142 -8.174 1.00 0.00 C ATOM 255 CD GLU A 107 -11.388 5.610 -8.552 1.00 0.00 C ATOM 256 OE1 GLU A 107 -11.056 6.461 -7.699 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.772 5.909 -9.702 1.00 0.00 O ATOM 0 H GLU A 107 -7.678 3.089 -6.970 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.220 5.449 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.272 3.844 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.924 2.605 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.714 3.542 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.967 3.964 -7.314 1.00 0.00 H new ATOM 264 N ASN A 108 -10.804 5.276 -4.957 1.00 0.00 N ATOM 265 CA ASN A 108 -11.667 5.221 -3.783 1.00 0.00 C ATOM 266 C ASN A 108 -10.907 4.648 -2.590 1.00 0.00 C ATOM 267 O ASN A 108 -11.414 3.785 -1.873 1.00 0.00 O ATOM 268 CB ASN A 108 -12.912 4.378 -4.069 1.00 0.00 C ATOM 269 CG ASN A 108 -13.756 4.951 -5.191 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.938 4.174 -6.251 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.240 6.080 -5.105 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.731 6.199 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.983 6.236 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.608 3.364 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.515 4.308 -3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.075 6.644 -4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.806 6.452 -5.868 1.00 0.00 H new ATOM 278 N GLY A 109 -9.685 5.135 -2.388 1.00 0.00 N ATOM 279 CA GLY A 109 -8.866 4.661 -1.287 1.00 0.00 C ATOM 280 C GLY A 109 -7.586 5.456 -1.130 1.00 0.00 C ATOM 281 O GLY A 109 -7.118 6.091 -2.075 1.00 0.00 O ATOM 0 H GLY A 109 -9.248 5.851 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.440 4.716 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.620 3.611 -1.447 1.00 0.00 H new ATOM 285 N LYS A 110 -7.022 5.420 0.072 1.00 0.00 N ATOM 286 CA LYS A 110 -5.788 6.142 0.364 1.00 0.00 C ATOM 287 C LYS A 110 -4.775 5.230 1.049 1.00 0.00 C ATOM 288 O LYS A 110 -5.135 4.417 1.901 1.00 0.00 O ATOM 289 CB LYS A 110 -6.084 7.357 1.246 1.00 0.00 C ATOM 290 CG LYS A 110 -7.053 8.343 0.612 1.00 0.00 C ATOM 291 CD LYS A 110 -7.353 9.510 1.539 1.00 0.00 C ATOM 292 CE LYS A 110 -8.348 10.473 0.912 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.662 11.615 1.814 1.00 0.00 N ATOM 0 H LYS A 110 -7.400 4.897 0.862 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.360 6.483 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.495 7.015 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.149 7.871 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.632 8.718 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.981 7.830 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.751 9.135 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.429 10.039 1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.943 10.853 -0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.267 9.939 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.344 12.248 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.072 11.255 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.790 12.141 2.025 1.00 0.00 H new ATOM 307 N VAL A 111 -3.509 5.363 0.664 1.00 0.00 N ATOM 308 CA VAL A 111 -2.445 4.543 1.234 1.00 0.00 C ATOM 309 C VAL A 111 -1.568 5.347 2.191 1.00 0.00 C ATOM 310 O VAL A 111 -1.140 6.457 1.878 1.00 0.00 O ATOM 311 CB VAL A 111 -1.562 3.935 0.129 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.398 3.162 0.731 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.391 3.041 -0.780 1.00 0.00 C ATOM 0 H VAL A 111 -3.195 6.031 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.929 3.741 1.791 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.152 4.748 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.212 2.742 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.210 3.834 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.781 2.356 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.752 2.619 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.831 2.234 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.184 3.628 -1.243 1.00 0.00 H new ATOM 323 N PHE A 112 -1.307 4.769 3.361 1.00 0.00 N ATOM 324 CA PHE A 112 -0.481 5.414 4.377 1.00 0.00 C ATOM 325 C PHE A 112 0.974 4.959 4.275 1.00 0.00 C ATOM 326 O PHE A 112 1.446 4.180 5.105 1.00 0.00 O ATOM 327 CB PHE A 112 -1.026 5.115 5.777 1.00 0.00 C ATOM 328 CG PHE A 112 -2.415 5.639 6.019 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.489 5.172 5.277 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.644 6.602 6.989 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.764 5.656 5.499 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.918 7.089 7.215 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.979 6.614 6.469 1.00 0.00 C ATOM 0 H PHE A 112 -1.658 3.850 3.629 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.516 6.489 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.024 4.036 5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.352 5.546 6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.327 4.422 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.818 6.976 7.575 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.592 5.285 4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.083 7.840 7.974 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.975 6.992 6.644 1.00 0.00 H new ATOM 343 N LEU A 113 1.678 5.439 3.252 1.00 0.00 N ATOM 344 CA LEU A 113 3.078 5.071 3.047 1.00 0.00 C ATOM 345 C LEU A 113 3.940 5.498 4.230 1.00 0.00 C ATOM 346 O LEU A 113 3.580 6.404 4.982 1.00 0.00 O ATOM 347 CB LEU A 113 3.627 5.659 1.731 1.00 0.00 C ATOM 348 CG LEU A 113 3.810 7.185 1.665 1.00 0.00 C ATOM 349 CD1 LEU A 113 2.535 7.901 2.079 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.984 7.639 2.521 1.00 0.00 C ATOM 0 H LEU A 113 1.304 6.082 2.554 1.00 0.00 H new ATOM 0 HA LEU A 113 3.121 3.984 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.592 5.194 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.957 5.364 0.924 1.00 0.00 H new ATOM 0 HG LEU A 113 4.030 7.447 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.689 8.979 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.724 7.616 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.277 7.623 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.087 8.722 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.809 7.356 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.899 7.165 2.165 1.00 0.00 H new ATOM 362 N THR A 114 5.080 4.832 4.389 1.00 0.00 N ATOM 363 CA THR A 114 6.002 5.130 5.478 1.00 0.00 C ATOM 364 C THR A 114 7.408 4.635 5.148 1.00 0.00 C ATOM 365 O THR A 114 7.899 3.677 5.747 1.00 0.00 O ATOM 366 CB THR A 114 5.534 4.492 6.803 1.00 0.00 C ATOM 367 OG1 THR A 114 4.190 4.894 7.093 1.00 0.00 O ATOM 368 CG2 THR A 114 6.443 4.899 7.954 1.00 0.00 C ATOM 0 H THR A 114 5.388 4.079 3.774 1.00 0.00 H new ATOM 0 HA THR A 114 6.019 6.213 5.598 1.00 0.00 H new ATOM 0 HB THR A 114 5.577 3.409 6.690 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.972 5.701 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.092 4.436 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.461 4.569 7.748 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.428 5.983 8.064 1.00 0.00 H new ATOM 376 N GLY A 115 8.048 5.289 4.181 1.00 0.00 N ATOM 377 CA GLY A 115 9.389 4.900 3.780 1.00 0.00 C ATOM 378 C GLY A 115 10.097 5.980 2.985 1.00 0.00 C ATOM 379 O GLY A 115 11.265 6.275 3.237 1.00 0.00 O ATOM 0 H GLY A 115 7.661 6.081 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.976 4.664 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.336 3.990 3.182 1.00 0.00 H new ATOM 383 N GLY A 116 9.390 6.575 2.029 1.00 0.00 N ATOM 384 CA GLY A 116 9.978 7.627 1.217 1.00 0.00 C ATOM 385 C GLY A 116 10.630 7.111 -0.055 1.00 0.00 C ATOM 386 O GLY A 116 9.972 6.485 -0.886 1.00 0.00 O ATOM 0 H GLY A 116 8.422 6.348 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.205 8.348 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.723 8.160 1.808 1.00 0.00 H new ATOM 390 N ASP A 117 11.925 7.388 -0.215 1.00 0.00 N ATOM 391 CA ASP A 117 12.661 6.963 -1.404 1.00 0.00 C ATOM 392 C ASP A 117 14.104 6.589 -1.065 1.00 0.00 C ATOM 393 O ASP A 117 15.049 7.073 -1.689 1.00 0.00 O ATOM 394 CB ASP A 117 12.637 8.072 -2.461 1.00 0.00 C ATOM 395 CG ASP A 117 13.101 9.408 -1.914 1.00 0.00 C ATOM 396 OD1 ASP A 117 14.263 9.497 -1.461 1.00 0.00 O ATOM 397 OD2 ASP A 117 12.303 10.368 -1.938 1.00 0.00 O ATOM 0 H ASP A 117 12.484 7.904 0.464 1.00 0.00 H new ATOM 0 HA ASP A 117 12.171 6.075 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.274 7.785 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.625 8.175 -2.851 1.00 0.00 H new ATOM 402 N LEU A 118 14.261 5.716 -0.076 1.00 0.00 N ATOM 403 CA LEU A 118 15.577 5.258 0.356 1.00 0.00 C ATOM 404 C LEU A 118 16.023 4.042 -0.452 1.00 0.00 C ATOM 405 O LEU A 118 15.194 3.340 -1.032 1.00 0.00 O ATOM 406 CB LEU A 118 15.569 4.922 1.852 1.00 0.00 C ATOM 407 CG LEU A 118 15.470 6.126 2.796 1.00 0.00 C ATOM 408 CD1 LEU A 118 14.150 6.857 2.605 1.00 0.00 C ATOM 409 CD2 LEU A 118 15.625 5.679 4.241 1.00 0.00 C ATOM 0 H LEU A 118 13.485 5.308 0.446 1.00 0.00 H new ATOM 0 HA LEU A 118 16.286 6.067 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.731 4.255 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 118 16.479 4.371 2.088 1.00 0.00 H new ATOM 0 HG LEU A 118 16.279 6.816 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.103 7.707 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.075 7.211 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.324 6.178 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.553 6.545 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.837 4.968 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.597 5.204 4.373 1.00 0.00 H new ATOM 421 N PRO A 119 17.343 3.779 -0.505 1.00 0.00 N ATOM 422 CA PRO A 119 17.893 2.644 -1.251 1.00 0.00 C ATOM 423 C PRO A 119 17.099 1.361 -1.035 1.00 0.00 C ATOM 424 O PRO A 119 17.112 0.787 0.055 1.00 0.00 O ATOM 425 CB PRO A 119 19.300 2.505 -0.674 1.00 0.00 C ATOM 426 CG PRO A 119 19.677 3.889 -0.269 1.00 0.00 C ATOM 427 CD PRO A 119 18.400 4.570 0.154 1.00 0.00 C ATOM 0 HA PRO A 119 17.867 2.810 -2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.314 1.825 0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.994 2.105 -1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.398 3.872 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.146 4.422 -1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.285 4.566 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.378 5.612 -0.165 1.00 0.00 H new ATOM 435 N ALA A 120 16.412 0.921 -2.091 1.00 0.00 N ATOM 436 CA ALA A 120 15.600 -0.295 -2.051 1.00 0.00 C ATOM 437 C ALA A 120 14.344 -0.112 -1.199 1.00 0.00 C ATOM 438 O ALA A 120 13.300 -0.691 -1.497 1.00 0.00 O ATOM 439 CB ALA A 120 16.414 -1.472 -1.546 1.00 0.00 C ATOM 0 H ALA A 120 16.403 1.396 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 120 15.281 -0.503 -3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.789 -2.365 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.263 -1.639 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.776 -1.259 -0.540 1.00 0.00 H new ATOM 445 N LEU A 121 14.450 0.691 -0.144 1.00 0.00 N ATOM 446 CA LEU A 121 13.323 0.943 0.742 1.00 0.00 C ATOM 447 C LEU A 121 12.900 -0.341 1.453 1.00 0.00 C ATOM 448 O LEU A 121 11.712 -0.644 1.563 1.00 0.00 O ATOM 449 CB LEU A 121 12.154 1.528 -0.053 1.00 0.00 C ATOM 450 CG LEU A 121 11.058 2.175 0.789 1.00 0.00 C ATOM 451 CD1 LEU A 121 11.651 3.252 1.685 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.972 2.754 -0.104 1.00 0.00 C ATOM 0 H LEU A 121 15.307 1.178 0.117 1.00 0.00 H new ATOM 0 HA LEU A 121 13.628 1.665 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.544 2.272 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.709 0.734 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 121 10.605 1.411 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.859 3.706 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.393 2.806 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 121 12.126 4.016 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.199 3.211 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.405 3.508 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.533 1.958 -0.705 1.00 0.00 H new ATOM 464 N ASP A 122 13.889 -1.091 1.933 1.00 0.00 N ATOM 465 CA ASP A 122 13.640 -2.346 2.637 1.00 0.00 C ATOM 466 C ASP A 122 13.225 -2.089 4.085 1.00 0.00 C ATOM 467 O ASP A 122 13.884 -2.543 5.022 1.00 0.00 O ATOM 468 CB ASP A 122 14.891 -3.230 2.597 1.00 0.00 C ATOM 469 CG ASP A 122 14.665 -4.595 3.222 1.00 0.00 C ATOM 470 OD1 ASP A 122 13.526 -4.873 3.652 1.00 0.00 O ATOM 471 OD2 ASP A 122 15.628 -5.388 3.275 1.00 0.00 O ATOM 0 H ASP A 122 14.876 -0.849 1.846 1.00 0.00 H new ATOM 0 HA ASP A 122 12.822 -2.862 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.208 -3.357 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.704 -2.726 3.120 1.00 0.00 H new ATOM 476 N GLY A 123 12.133 -1.353 4.264 1.00 0.00 N ATOM 477 CA GLY A 123 11.656 -1.044 5.598 1.00 0.00 C ATOM 478 C GLY A 123 10.305 -0.358 5.583 1.00 0.00 C ATOM 479 O GLY A 123 9.523 -0.489 6.524 1.00 0.00 O ATOM 0 H GLY A 123 11.570 -0.965 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.587 -1.964 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.380 -0.403 6.101 1.00 0.00 H new ATOM 483 N ALA A 124 10.041 0.383 4.512 1.00 0.00 N ATOM 484 CA ALA A 124 8.784 1.107 4.363 1.00 0.00 C ATOM 485 C ALA A 124 7.579 0.215 4.630 1.00 0.00 C ATOM 486 O ALA A 124 7.599 -0.982 4.343 1.00 0.00 O ATOM 487 CB ALA A 124 8.681 1.708 2.973 1.00 0.00 C ATOM 0 H ALA A 124 10.685 0.498 3.730 1.00 0.00 H new ATOM 0 HA ALA A 124 8.781 1.905 5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.737 2.245 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.509 2.398 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.723 0.913 2.229 1.00 0.00 H new ATOM 493 N ARG A 125 6.527 0.818 5.170 1.00 0.00 N ATOM 494 CA ARG A 125 5.295 0.100 5.470 1.00 0.00 C ATOM 495 C ARG A 125 4.094 0.955 5.091 1.00 0.00 C ATOM 496 O ARG A 125 3.987 2.108 5.510 1.00 0.00 O ATOM 497 CB ARG A 125 5.239 -0.262 6.956 1.00 0.00 C ATOM 498 CG ARG A 125 6.378 -1.162 7.407 1.00 0.00 C ATOM 499 CD ARG A 125 6.317 -1.434 8.901 1.00 0.00 C ATOM 500 NE ARG A 125 5.070 -2.084 9.294 1.00 0.00 N ATOM 501 CZ ARG A 125 4.714 -3.303 8.899 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.513 -4.010 8.110 1.00 0.00 N ATOM 503 NH2 ARG A 125 3.558 -3.818 9.295 1.00 0.00 N ATOM 0 H ARG A 125 6.503 1.809 5.410 1.00 0.00 H new ATOM 0 HA ARG A 125 5.273 -0.822 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.256 0.655 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.291 -0.758 7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.335 -2.105 6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.331 -0.695 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 125 7.159 -2.064 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.422 -0.495 9.444 1.00 0.00 H new ATOM 0 HE ARG A 125 4.435 -1.573 9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.404 -3.619 7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.236 -4.945 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 125 2.941 -3.279 9.903 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.286 -4.753 8.992 1.00 0.00 H new ATOM 517 N VAL A 126 3.195 0.393 4.288 1.00 0.00 N ATOM 518 CA VAL A 126 2.013 1.124 3.851 1.00 0.00 C ATOM 519 C VAL A 126 0.732 0.475 4.356 1.00 0.00 C ATOM 520 O VAL A 126 0.528 -0.732 4.204 1.00 0.00 O ATOM 521 CB VAL A 126 1.954 1.229 2.315 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.142 2.014 1.787 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.902 -0.153 1.683 1.00 0.00 C ATOM 0 H VAL A 126 3.263 -0.560 3.930 1.00 0.00 H new ATOM 0 HA VAL A 126 2.093 2.125 4.276 1.00 0.00 H new ATOM 0 HB VAL A 126 1.043 1.762 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.082 2.077 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.131 3.018 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.066 1.510 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.861 -0.056 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.793 -0.715 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.015 -0.680 2.034 1.00 0.00 H new ATOM 533 N GLU A 127 -0.133 1.290 4.950 1.00 0.00 N ATOM 534 CA GLU A 127 -1.405 0.806 5.468 1.00 0.00 C ATOM 535 C GLU A 127 -2.542 1.173 4.524 1.00 0.00 C ATOM 536 O GLU A 127 -2.906 2.342 4.398 1.00 0.00 O ATOM 537 CB GLU A 127 -1.667 1.386 6.858 1.00 0.00 C ATOM 538 CG GLU A 127 -0.687 0.893 7.909 1.00 0.00 C ATOM 539 CD GLU A 127 -0.927 1.516 9.270 1.00 0.00 C ATOM 540 OE1 GLU A 127 -0.844 2.758 9.378 1.00 0.00 O ATOM 541 OE2 GLU A 127 -1.200 0.762 10.229 1.00 0.00 O ATOM 0 H GLU A 127 0.025 2.289 5.084 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.354 -0.280 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.616 2.474 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.680 1.128 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.764 -0.191 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.330 1.117 7.586 1.00 0.00 H new ATOM 548 N PHE A 128 -3.096 0.167 3.861 1.00 0.00 N ATOM 549 CA PHE A 128 -4.193 0.379 2.924 1.00 0.00 C ATOM 550 C PHE A 128 -5.501 0.633 3.666 1.00 0.00 C ATOM 551 O PHE A 128 -5.729 0.092 4.749 1.00 0.00 O ATOM 552 CB PHE A 128 -4.349 -0.822 1.988 1.00 0.00 C ATOM 553 CG PHE A 128 -3.136 -1.105 1.149 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.985 -1.622 1.721 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.152 -0.864 -0.216 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.871 -1.889 0.948 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.042 -1.131 -0.994 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.900 -1.644 -0.412 1.00 0.00 C ATOM 0 H PHE A 128 -2.804 -0.806 3.954 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.954 1.259 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.581 -1.705 2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.201 -0.649 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.958 -1.819 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.043 -0.463 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.022 -2.289 1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.068 -0.939 -2.056 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.031 -1.853 -1.018 1.00 0.00 H new ATOM 568 N ARG A 129 -6.358 1.459 3.074 1.00 0.00 N ATOM 569 CA ARG A 129 -7.646 1.788 3.674 1.00 0.00 C ATOM 570 C ARG A 129 -8.587 2.376 2.628 1.00 0.00 C ATOM 571 O ARG A 129 -8.246 3.341 1.945 1.00 0.00 O ATOM 572 CB ARG A 129 -7.454 2.782 4.823 1.00 0.00 C ATOM 573 CG ARG A 129 -8.741 3.168 5.540 1.00 0.00 C ATOM 574 CD ARG A 129 -9.284 2.031 6.396 1.00 0.00 C ATOM 575 NE ARG A 129 -9.740 0.897 5.597 1.00 0.00 N ATOM 576 CZ ARG A 129 -10.265 -0.207 6.120 1.00 0.00 C ATOM 577 NH1 ARG A 129 -10.395 -0.328 7.435 1.00 0.00 N ATOM 578 NH2 ARG A 129 -10.664 -1.193 5.328 1.00 0.00 N ATOM 0 H ARG A 129 -6.183 1.913 2.178 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.089 0.873 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.763 2.352 5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.985 3.685 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.558 4.039 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.492 3.458 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.508 1.697 7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -10.111 2.400 7.002 1.00 0.00 H new ATOM 0 HE ARG A 129 -9.651 0.955 4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -10.092 0.428 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.798 -1.177 7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.568 -1.105 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -11.067 -2.039 5.731 1.00 0.00 H new ATOM 592 N CYS A 130 -9.772 1.784 2.504 1.00 0.00 N ATOM 593 CA CYS A 130 -10.760 2.247 1.534 1.00 0.00 C ATOM 594 C CYS A 130 -11.666 3.320 2.141 1.00 0.00 C ATOM 595 O CYS A 130 -11.928 3.318 3.343 1.00 0.00 O ATOM 596 CB CYS A 130 -11.603 1.071 1.035 1.00 0.00 C ATOM 597 SG CYS A 130 -10.627 -0.319 0.370 1.00 0.00 S ATOM 0 H CYS A 130 -10.071 0.984 3.062 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.226 2.687 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.220 0.707 1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.281 1.428 0.260 1.00 0.00 H new ATOM 602 N ASP A 131 -12.133 4.237 1.294 1.00 0.00 N ATOM 603 CA ASP A 131 -13.009 5.327 1.729 1.00 0.00 C ATOM 604 C ASP A 131 -14.218 4.803 2.506 1.00 0.00 C ATOM 605 O ASP A 131 -14.523 3.613 2.457 1.00 0.00 O ATOM 606 CB ASP A 131 -13.475 6.139 0.518 1.00 0.00 C ATOM 607 CG ASP A 131 -12.360 6.969 -0.086 1.00 0.00 C ATOM 608 OD1 ASP A 131 -11.321 6.387 -0.459 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.526 8.203 -0.188 1.00 0.00 O ATOM 0 H ASP A 131 -11.918 4.247 0.297 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.436 5.969 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.871 5.462 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -14.292 6.796 0.817 1.00 0.00 H new ATOM 614 N PRO A 132 -14.912 5.694 3.253 1.00 0.00 N ATOM 615 CA PRO A 132 -16.090 5.333 4.060 1.00 0.00 C ATOM 616 C PRO A 132 -17.297 4.927 3.213 1.00 0.00 C ATOM 617 O PRO A 132 -18.374 5.511 3.330 1.00 0.00 O ATOM 618 CB PRO A 132 -16.406 6.613 4.848 1.00 0.00 C ATOM 619 CG PRO A 132 -15.201 7.479 4.705 1.00 0.00 C ATOM 620 CD PRO A 132 -14.595 7.125 3.380 1.00 0.00 C ATOM 0 HA PRO A 132 -15.882 4.466 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.293 7.108 4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.606 6.389 5.896 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.472 8.534 4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.495 7.303 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -15.027 7.709 2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.520 7.305 3.365 1.00 0.00 H new ATOM 628 N ASP A 133 -17.109 3.916 2.374 1.00 0.00 N ATOM 629 CA ASP A 133 -18.164 3.406 1.510 1.00 0.00 C ATOM 630 C ASP A 133 -17.836 1.977 1.099 1.00 0.00 C ATOM 631 O ASP A 133 -18.695 1.096 1.114 1.00 0.00 O ATOM 632 CB ASP A 133 -18.322 4.283 0.265 1.00 0.00 C ATOM 633 CG ASP A 133 -18.770 5.695 0.592 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.870 5.851 1.162 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.020 6.644 0.280 1.00 0.00 O ATOM 0 H ASP A 133 -16.220 3.427 2.274 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.105 3.423 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.372 4.323 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -19.046 3.824 -0.408 1.00 0.00 H new ATOM 640 N PHE A 134 -16.573 1.758 0.752 1.00 0.00 N ATOM 641 CA PHE A 134 -16.098 0.441 0.355 1.00 0.00 C ATOM 642 C PHE A 134 -15.197 -0.129 1.444 1.00 0.00 C ATOM 643 O PHE A 134 -14.384 0.593 2.022 1.00 0.00 O ATOM 644 CB PHE A 134 -15.329 0.517 -0.970 1.00 0.00 C ATOM 645 CG PHE A 134 -16.146 1.017 -2.132 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.760 2.259 -2.088 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.290 0.244 -3.274 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.504 2.720 -3.158 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.032 0.700 -4.347 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.641 1.939 -4.289 1.00 0.00 C ATOM 0 H PHE A 134 -15.856 2.483 0.738 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.960 -0.212 0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.467 1.171 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.944 -0.474 -1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.656 2.874 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.817 -0.726 -3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.977 3.689 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.136 0.088 -5.231 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.223 2.296 -5.126 1.00 0.00 H new ATOM 660 N HIS A 135 -15.341 -1.417 1.731 1.00 0.00 N ATOM 661 CA HIS A 135 -14.529 -2.052 2.761 1.00 0.00 C ATOM 662 C HIS A 135 -13.394 -2.860 2.141 1.00 0.00 C ATOM 663 O HIS A 135 -13.614 -3.697 1.265 1.00 0.00 O ATOM 664 CB HIS A 135 -15.395 -2.948 3.651 1.00 0.00 C ATOM 665 CG HIS A 135 -16.110 -4.033 2.908 1.00 0.00 C ATOM 666 ND1 HIS A 135 -17.008 -3.783 1.891 1.00 0.00 N ATOM 667 CD2 HIS A 135 -16.059 -5.379 3.040 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.478 -4.930 1.431 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.917 -5.912 2.111 1.00 0.00 N ATOM 0 H HIS A 135 -16.006 -2.037 1.270 1.00 0.00 H new ATOM 0 HA HIS A 135 -14.091 -1.266 3.377 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.765 -3.400 4.417 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -16.130 -2.330 4.167 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.455 -5.931 3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.198 -5.044 0.634 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -17.093 -6.907 1.969 1.00 0.00 H new ATOM 678 N LEU A 136 -12.176 -2.592 2.602 1.00 0.00 N ATOM 679 CA LEU A 136 -10.994 -3.280 2.101 1.00 0.00 C ATOM 680 C LEU A 136 -11.058 -4.764 2.456 1.00 0.00 C ATOM 681 O LEU A 136 -11.339 -5.123 3.600 1.00 0.00 O ATOM 682 CB LEU A 136 -9.737 -2.633 2.689 1.00 0.00 C ATOM 683 CG LEU A 136 -8.430 -2.913 1.943 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.321 -2.032 2.487 1.00 0.00 C ATOM 685 CD2 LEU A 136 -8.043 -4.377 2.058 1.00 0.00 C ATOM 0 H LEU A 136 -11.983 -1.899 3.325 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.957 -3.193 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.889 -1.554 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.625 -2.972 3.719 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.581 -2.684 0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -6.395 -2.239 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.591 -0.984 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -7.179 -2.239 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.111 -4.550 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.909 -4.637 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.831 -4.996 1.629 1.00 0.00 H new ATOM 697 N VAL A 137 -10.816 -5.620 1.468 1.00 0.00 N ATOM 698 CA VAL A 137 -10.871 -7.062 1.679 1.00 0.00 C ATOM 699 C VAL A 137 -9.663 -7.775 1.074 1.00 0.00 C ATOM 700 O VAL A 137 -9.808 -8.561 0.135 1.00 0.00 O ATOM 701 CB VAL A 137 -12.153 -7.657 1.068 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.307 -9.122 1.451 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.374 -6.858 1.496 1.00 0.00 C ATOM 0 H VAL A 137 -10.580 -5.341 0.516 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.866 -7.218 2.758 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.070 -7.598 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -13.220 -9.520 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.449 -9.686 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -12.362 -9.211 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.269 -7.296 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.460 -6.878 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.270 -5.826 1.160 1.00 0.00 H new ATOM 713 N GLY A 138 -8.471 -7.513 1.602 1.00 0.00 N ATOM 714 CA GLY A 138 -7.292 -8.167 1.069 1.00 0.00 C ATOM 715 C GLY A 138 -6.016 -7.781 1.784 1.00 0.00 C ATOM 716 O GLY A 138 -5.975 -7.733 3.013 1.00 0.00 O ATOM 0 H GLY A 138 -8.302 -6.871 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.424 -9.247 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.196 -7.921 0.011 1.00 0.00 H new ATOM 720 N SER A 139 -4.973 -7.515 1.004 1.00 0.00 N ATOM 721 CA SER A 139 -3.679 -7.134 1.539 1.00 0.00 C ATOM 722 C SER A 139 -3.712 -5.707 2.073 1.00 0.00 C ATOM 723 O SER A 139 -3.001 -4.831 1.581 1.00 0.00 O ATOM 724 CB SER A 139 -2.619 -7.263 0.452 1.00 0.00 C ATOM 725 OG SER A 139 -2.918 -6.421 -0.645 1.00 0.00 O ATOM 0 H SER A 139 -5.005 -7.559 -0.015 1.00 0.00 H new ATOM 0 HA SER A 139 -3.433 -7.800 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.641 -7.004 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.561 -8.298 0.116 1.00 0.00 H new ATOM 0 HG SER A 139 -2.686 -6.878 -1.481 1.00 0.00 H new ATOM 731 N SER A 140 -4.548 -5.483 3.079 1.00 0.00 N ATOM 732 CA SER A 140 -4.692 -4.174 3.686 1.00 0.00 C ATOM 733 C SER A 140 -3.353 -3.659 4.221 1.00 0.00 C ATOM 734 O SER A 140 -3.247 -2.509 4.647 1.00 0.00 O ATOM 735 CB SER A 140 -5.727 -4.255 4.805 1.00 0.00 C ATOM 736 OG SER A 140 -5.287 -5.108 5.849 1.00 0.00 O ATOM 0 H SER A 140 -5.141 -6.203 3.493 1.00 0.00 H new ATOM 0 HA SER A 140 -5.030 -3.467 2.928 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.916 -3.258 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.672 -4.623 4.405 1.00 0.00 H new ATOM 0 HG SER A 140 -5.968 -5.141 6.553 1.00 0.00 H new ATOM 742 N ARG A 141 -2.334 -4.516 4.185 1.00 0.00 N ATOM 743 CA ARG A 141 -1.000 -4.150 4.654 1.00 0.00 C ATOM 744 C ARG A 141 0.074 -4.737 3.738 1.00 0.00 C ATOM 745 O ARG A 141 0.010 -5.907 3.372 1.00 0.00 O ATOM 746 CB ARG A 141 -0.786 -4.641 6.087 1.00 0.00 C ATOM 747 CG ARG A 141 0.605 -4.343 6.629 1.00 0.00 C ATOM 748 CD ARG A 141 0.762 -4.829 8.060 1.00 0.00 C ATOM 749 NE ARG A 141 -0.169 -4.165 8.969 1.00 0.00 N ATOM 750 CZ ARG A 141 -0.214 -4.396 10.278 1.00 0.00 C ATOM 751 NH1 ARG A 141 0.618 -5.270 10.829 1.00 0.00 N ATOM 752 NH2 ARG A 141 -1.091 -3.753 11.036 1.00 0.00 N ATOM 0 H ARG A 141 -2.408 -5.471 3.835 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.919 -3.063 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -1.528 -4.176 6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.959 -5.717 6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 141 1.353 -4.822 5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.791 -3.270 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.599 -5.906 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.784 -4.650 8.394 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.822 -3.486 8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.294 -5.766 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 141 0.582 -5.446 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -1.732 -3.080 10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.125 -3.931 12.040 1.00 0.00 H new ATOM 766 N SER A 142 1.059 -3.915 3.378 1.00 0.00 N ATOM 767 CA SER A 142 2.154 -4.350 2.505 1.00 0.00 C ATOM 768 C SER A 142 3.446 -3.639 2.893 1.00 0.00 C ATOM 769 O SER A 142 3.525 -2.413 2.844 1.00 0.00 O ATOM 770 CB SER A 142 1.816 -4.044 1.044 1.00 0.00 C ATOM 771 OG SER A 142 2.862 -4.456 0.182 1.00 0.00 O ATOM 0 H SER A 142 1.123 -2.942 3.677 1.00 0.00 H new ATOM 0 HA SER A 142 2.288 -5.425 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.892 -4.551 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.641 -2.975 0.924 1.00 0.00 H new ATOM 0 HG SER A 142 2.521 -5.122 -0.451 1.00 0.00 H new ATOM 777 N VAL A 143 4.456 -4.410 3.279 1.00 0.00 N ATOM 778 CA VAL A 143 5.735 -3.834 3.672 1.00 0.00 C ATOM 779 C VAL A 143 6.721 -3.834 2.509 1.00 0.00 C ATOM 780 O VAL A 143 7.041 -4.880 1.947 1.00 0.00 O ATOM 781 CB VAL A 143 6.345 -4.577 4.880 1.00 0.00 C ATOM 782 CG1 VAL A 143 6.388 -6.074 4.630 1.00 0.00 C ATOM 783 CG2 VAL A 143 7.735 -4.044 5.194 1.00 0.00 C ATOM 0 H VAL A 143 4.415 -5.428 3.328 1.00 0.00 H new ATOM 0 HA VAL A 143 5.542 -2.802 3.966 1.00 0.00 H new ATOM 0 HB VAL A 143 5.707 -4.397 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 143 6.822 -6.575 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 143 5.376 -6.445 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 143 6.997 -6.278 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 143 8.146 -4.581 6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 143 8.383 -4.187 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 143 7.673 -2.982 5.429 1.00 0.00 H new ATOM 793 N CYS A 144 7.195 -2.645 2.158 1.00 0.00 N ATOM 794 CA CYS A 144 8.145 -2.482 1.065 1.00 0.00 C ATOM 795 C CYS A 144 9.502 -3.073 1.440 1.00 0.00 C ATOM 796 O CYS A 144 9.970 -2.904 2.566 1.00 0.00 O ATOM 797 CB CYS A 144 8.285 -0.997 0.723 1.00 0.00 C ATOM 798 SG CYS A 144 9.303 -0.647 -0.746 1.00 0.00 S ATOM 0 H CYS A 144 6.934 -1.773 2.619 1.00 0.00 H new ATOM 0 HA CYS A 144 7.773 -3.016 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.291 -0.579 0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 144 8.718 -0.480 1.580 1.00 0.00 H new ATOM 803 N SER A 145 10.128 -3.766 0.494 1.00 0.00 N ATOM 804 CA SER A 145 11.429 -4.383 0.735 1.00 0.00 C ATOM 805 C SER A 145 12.101 -4.782 -0.576 1.00 0.00 C ATOM 806 O SER A 145 11.475 -5.385 -1.447 1.00 0.00 O ATOM 807 CB SER A 145 11.274 -5.613 1.633 1.00 0.00 C ATOM 808 OG SER A 145 10.434 -6.582 1.031 1.00 0.00 O ATOM 0 H SER A 145 9.757 -3.915 -0.445 1.00 0.00 H new ATOM 0 HA SER A 145 12.060 -3.649 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.253 -6.049 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.858 -5.314 2.595 1.00 0.00 H new ATOM 0 HG SER A 145 10.353 -7.358 1.624 1.00 0.00 H new ATOM 814 N GLN A 146 13.379 -4.437 -0.703 1.00 0.00 N ATOM 815 CA GLN A 146 14.146 -4.752 -1.904 1.00 0.00 C ATOM 816 C GLN A 146 13.482 -4.160 -3.143 1.00 0.00 C ATOM 817 O GLN A 146 13.429 -4.790 -4.199 1.00 0.00 O ATOM 818 CB GLN A 146 14.304 -6.267 -2.057 1.00 0.00 C ATOM 819 CG GLN A 146 15.026 -6.926 -0.890 1.00 0.00 C ATOM 820 CD GLN A 146 16.436 -6.400 -0.696 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.642 -5.217 -0.427 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.421 -7.283 -0.833 1.00 0.00 N ATOM 0 H GLN A 146 13.906 -3.938 0.013 1.00 0.00 H new ATOM 0 HA GLN A 146 15.136 -4.307 -1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.317 -6.718 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.851 -6.476 -2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.454 -6.763 0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 146 15.065 -8.003 -1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 146 17.207 -8.255 -1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 146 18.390 -6.988 -0.715 1.00 0.00 H new ATOM 831 N GLY A 147 12.985 -2.936 -3.000 1.00 0.00 N ATOM 832 CA GLY A 147 12.333 -2.252 -4.104 1.00 0.00 C ATOM 833 C GLY A 147 11.063 -2.947 -4.571 1.00 0.00 C ATOM 834 O GLY A 147 10.590 -2.695 -5.680 1.00 0.00 O ATOM 0 H GLY A 147 13.022 -2.401 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.092 -1.233 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.029 -2.179 -4.940 1.00 0.00 H new ATOM 838 N GLN A 148 10.505 -3.821 -3.732 1.00 0.00 N ATOM 839 CA GLN A 148 9.280 -4.542 -4.083 1.00 0.00 C ATOM 840 C GLN A 148 8.393 -4.768 -2.857 1.00 0.00 C ATOM 841 O GLN A 148 8.886 -5.077 -1.772 1.00 0.00 O ATOM 842 CB GLN A 148 9.620 -5.881 -4.738 1.00 0.00 C ATOM 843 CG GLN A 148 8.403 -6.629 -5.259 1.00 0.00 C ATOM 844 CD GLN A 148 8.766 -7.928 -5.951 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.519 -7.936 -6.925 1.00 0.00 O ATOM 846 NE2 GLN A 148 8.229 -9.035 -5.451 1.00 0.00 N ATOM 0 H GLN A 148 10.879 -4.046 -2.810 1.00 0.00 H new ATOM 0 HA GLN A 148 8.725 -3.927 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.310 -5.708 -5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.140 -6.509 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN A 148 7.729 -6.840 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.860 -5.990 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.610 -8.981 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.436 -9.939 -5.876 1.00 0.00 H new ATOM 855 N TRP A 149 7.081 -4.615 -3.037 1.00 0.00 N ATOM 856 CA TRP A 149 6.128 -4.807 -1.944 1.00 0.00 C ATOM 857 C TRP A 149 5.990 -6.282 -1.586 1.00 0.00 C ATOM 858 O TRP A 149 5.937 -7.138 -2.470 1.00 0.00 O ATOM 859 CB TRP A 149 4.752 -4.254 -2.318 1.00 0.00 C ATOM 860 CG TRP A 149 4.798 -2.874 -2.888 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.947 -2.535 -4.200 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.716 -1.646 -2.160 1.00 0.00 C ATOM 863 NE1 TRP A 149 4.948 -1.169 -4.334 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.811 -0.601 -3.096 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.569 -1.329 -0.809 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.762 0.739 -2.723 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.523 0.000 -0.439 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.620 1.020 -1.393 1.00 0.00 C ATOM 0 H TRP A 149 6.655 -4.359 -3.928 1.00 0.00 H new ATOM 0 HA TRP A 149 6.514 -4.265 -1.081 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.286 -4.922 -3.042 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.117 -4.251 -1.432 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.049 -3.238 -5.014 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.036 -0.660 -5.213 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.493 -2.109 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.834 1.528 -3.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.410 0.257 0.604 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.582 2.050 -1.071 1.00 0.00 H new ATOM 879 N SER A 150 5.920 -6.574 -0.290 1.00 0.00 N ATOM 880 CA SER A 150 5.774 -7.949 0.169 1.00 0.00 C ATOM 881 C SER A 150 4.524 -8.594 -0.424 1.00 0.00 C ATOM 882 O SER A 150 4.611 -9.623 -1.095 1.00 0.00 O ATOM 883 CB SER A 150 5.723 -8.004 1.695 1.00 0.00 C ATOM 884 OG SER A 150 6.954 -7.589 2.257 1.00 0.00 O ATOM 0 H SER A 150 5.962 -5.880 0.456 1.00 0.00 H new ATOM 0 HA SER A 150 6.644 -8.510 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.919 -7.365 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.495 -9.019 2.019 1.00 0.00 H new ATOM 0 HG SER A 150 7.108 -6.644 2.046 1.00 0.00 H new ATOM 890 N THR A 151 3.362 -7.987 -0.178 1.00 0.00 N ATOM 891 CA THR A 151 2.109 -8.523 -0.702 1.00 0.00 C ATOM 892 C THR A 151 1.533 -7.643 -1.812 1.00 0.00 C ATOM 893 O THR A 151 1.626 -6.417 -1.758 1.00 0.00 O ATOM 894 CB THR A 151 1.057 -8.687 0.406 1.00 0.00 C ATOM 895 OG1 THR A 151 -0.181 -9.144 -0.152 1.00 0.00 O ATOM 896 CG2 THR A 151 0.836 -7.375 1.135 1.00 0.00 C ATOM 0 H THR A 151 3.264 -7.135 0.374 1.00 0.00 H new ATOM 0 HA THR A 151 2.347 -9.502 -1.117 1.00 0.00 H new ATOM 0 HB THR A 151 1.425 -9.425 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 151 -0.729 -9.546 0.554 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.088 -7.514 1.915 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.773 -7.047 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 151 0.489 -6.621 0.429 1.00 0.00 H new ATOM 904 N PRO A 152 0.928 -8.271 -2.837 1.00 0.00 N ATOM 905 CA PRO A 152 0.328 -7.558 -3.975 1.00 0.00 C ATOM 906 C PRO A 152 -0.834 -6.658 -3.560 1.00 0.00 C ATOM 907 O PRO A 152 -1.556 -6.960 -2.613 1.00 0.00 O ATOM 908 CB PRO A 152 -0.169 -8.684 -4.889 1.00 0.00 C ATOM 909 CG PRO A 152 -0.302 -9.870 -3.998 1.00 0.00 C ATOM 910 CD PRO A 152 0.780 -9.731 -2.968 1.00 0.00 C ATOM 0 HA PRO A 152 1.046 -6.890 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.123 -8.427 -5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.535 -8.875 -5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.286 -9.899 -3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.189 -10.797 -4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.499 -10.195 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.708 -10.203 -3.291 1.00 0.00 H new ATOM 918 N LYS A 153 -1.000 -5.553 -4.282 1.00 0.00 N ATOM 919 CA LYS A 153 -2.067 -4.588 -4.007 1.00 0.00 C ATOM 920 C LYS A 153 -3.440 -5.266 -3.961 1.00 0.00 C ATOM 921 O LYS A 153 -3.758 -6.098 -4.810 1.00 0.00 O ATOM 922 CB LYS A 153 -2.057 -3.500 -5.084 1.00 0.00 C ATOM 923 CG LYS A 153 -3.083 -2.402 -4.867 1.00 0.00 C ATOM 924 CD LYS A 153 -3.057 -1.394 -6.005 1.00 0.00 C ATOM 925 CE LYS A 153 -4.058 -0.274 -5.784 1.00 0.00 C ATOM 926 NZ LYS A 153 -4.061 0.699 -6.910 1.00 0.00 N ATOM 0 H LYS A 153 -0.404 -5.300 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.884 -4.144 -3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.064 -3.052 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.236 -3.963 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.078 -2.840 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.883 -1.895 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.055 -0.974 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.278 -1.900 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.056 -0.697 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.822 0.246 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.746 1.629 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.416 0.369 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -5.023 0.780 -7.296 1.00 0.00 H new ATOM 940 N PRO A 154 -4.276 -4.919 -2.958 1.00 0.00 N ATOM 941 CA PRO A 154 -5.613 -5.496 -2.801 1.00 0.00 C ATOM 942 C PRO A 154 -6.674 -4.771 -3.629 1.00 0.00 C ATOM 943 O PRO A 154 -6.370 -4.194 -4.673 1.00 0.00 O ATOM 944 CB PRO A 154 -5.877 -5.307 -1.310 1.00 0.00 C ATOM 945 CG PRO A 154 -5.166 -4.041 -0.962 1.00 0.00 C ATOM 946 CD PRO A 154 -3.982 -3.937 -1.895 1.00 0.00 C ATOM 0 HA PRO A 154 -5.661 -6.530 -3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -6.944 -5.233 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.497 -6.148 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.827 -3.182 -1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.839 -4.054 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.880 -2.930 -2.299 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.049 -4.171 -1.383 1.00 0.00 H new ATOM 954 N HIS A 155 -7.921 -4.804 -3.154 1.00 0.00 N ATOM 955 CA HIS A 155 -9.025 -4.149 -3.851 1.00 0.00 C ATOM 956 C HIS A 155 -10.136 -3.764 -2.876 1.00 0.00 C ATOM 957 O HIS A 155 -10.326 -4.417 -1.849 1.00 0.00 O ATOM 958 CB HIS A 155 -9.581 -5.062 -4.946 1.00 0.00 C ATOM 959 CG HIS A 155 -10.164 -6.339 -4.425 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.435 -7.264 -3.707 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.416 -6.845 -4.524 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.214 -8.282 -3.387 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.420 -8.052 -3.871 1.00 0.00 N ATOM 0 H HIS A 155 -8.189 -5.277 -2.291 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.640 -3.238 -4.310 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.348 -4.523 -5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.783 -5.298 -5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.255 -6.384 -5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.915 -9.154 -2.825 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.225 -8.671 -3.775 1.00 0.00 H new ATOM 972 N CYS A 156 -10.870 -2.702 -3.203 1.00 0.00 N ATOM 973 CA CYS A 156 -11.964 -2.239 -2.353 1.00 0.00 C ATOM 974 C CYS A 156 -13.302 -2.771 -2.856 1.00 0.00 C ATOM 975 O CYS A 156 -13.623 -2.651 -4.040 1.00 0.00 O ATOM 976 CB CYS A 156 -12.003 -0.709 -2.310 1.00 0.00 C ATOM 977 SG CYS A 156 -10.503 0.065 -1.620 1.00 0.00 S ATOM 0 H CYS A 156 -10.727 -2.148 -4.047 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.789 -2.619 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.158 -0.333 -3.321 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.863 -0.396 -1.718 1.00 0.00 H new ATOM 982 N GLN A 157 -14.080 -3.358 -1.951 1.00 0.00 N ATOM 983 CA GLN A 157 -15.384 -3.910 -2.302 1.00 0.00 C ATOM 984 C GLN A 157 -16.512 -3.060 -1.724 1.00 0.00 C ATOM 985 O GLN A 157 -16.464 -2.657 -0.563 1.00 0.00 O ATOM 986 CB GLN A 157 -15.504 -5.350 -1.797 1.00 0.00 C ATOM 987 CG GLN A 157 -16.822 -6.016 -2.159 1.00 0.00 C ATOM 988 CD GLN A 157 -16.906 -7.446 -1.665 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.074 -8.285 -2.010 1.00 0.00 O ATOM 990 NE2 GLN A 157 -17.918 -7.734 -0.854 1.00 0.00 N ATOM 0 H GLN A 157 -13.829 -3.464 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.471 -3.904 -3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.684 -5.939 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.389 -5.356 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.645 -5.440 -1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.947 -6.001 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -18.585 -7.008 -0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -18.028 -8.681 -0.492 1.00 0.00 H new ATOM 999 N VAL A 158 -17.527 -2.795 -2.541 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.668 -1.997 -2.110 1.00 0.00 C ATOM 1001 C VAL A 158 -19.474 -2.726 -1.038 1.00 0.00 C ATOM 1002 O VAL A 158 -19.670 -3.939 -1.114 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.592 -1.652 -3.296 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.138 -2.918 -3.938 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.724 -0.740 -2.847 1.00 0.00 C ATOM 0 H VAL A 158 -17.582 -3.122 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.271 -1.072 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.005 -1.120 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.787 -2.652 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.311 -3.527 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.708 -3.483 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.364 -0.509 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.311 -1.241 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.309 0.184 -2.444 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.937 -1.979 -0.040 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.720 -2.555 1.049 1.00 0.00 C ATOM 1017 C ASN A 159 -21.991 -3.215 0.519 1.00 0.00 C ATOM 1018 O ASN A 159 -22.560 -4.062 1.240 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.082 -1.478 2.073 1.00 0.00 C ATOM 1020 CG ASN A 159 -21.877 -0.338 1.465 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -22.952 -0.547 0.902 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -21.353 0.876 1.580 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.405 -2.879 -0.610 1.00 0.00 O ATOM 0 H ASN A 159 -19.784 -0.974 0.037 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.111 -3.318 1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.660 -1.929 2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.169 -1.083 2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -21.844 1.682 1.194 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.459 1.003 2.055 1.00 0.00 H new TER 1030 ASN A 159