USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 524 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD Single : A 81 SER OG : rot 180:sc= 0.012 USER MOD Single : A 86 LYS NZ :NH3+ -127:sc= 0.194 (180deg=-0.49) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.376 USER MOD Single : A 107 HIS : no HE2:sc= -1.18! C(o=-1.2!,f=-5.9!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 8:sc= -0.822 USER MOD Single : A 111 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.54) USER MOD Single : A 115 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.145) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 137 ASN : amide:sc= -0.196 K(o=-0.2,f=-8.2!) USER MOD Single : A 138 TYR OH : rot -159:sc= 0.213 USER MOD Single : A 143 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.24) USER MOD Single : A 145 MET CE :methyl 157:sc= -1.97 (180deg=-2.96!) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -20.141 -3.220 1.119 1.00 0.00 N ATOM 2 CA ASP A 80 -20.066 -3.567 -0.328 1.00 0.00 C ATOM 3 C ASP A 80 -18.627 -3.933 -0.685 1.00 0.00 C ATOM 4 O ASP A 80 -17.742 -3.925 0.172 1.00 0.00 O ATOM 5 CB ASP A 80 -20.521 -2.365 -1.160 1.00 0.00 C ATOM 6 CG ASP A 80 -20.693 -2.774 -2.619 1.00 0.00 C ATOM 7 OD1 ASP A 80 -20.795 -3.961 -2.873 1.00 0.00 O ATOM 8 OD2 ASP A 80 -20.720 -1.891 -3.461 1.00 0.00 O ATOM 0 HA ASP A 80 -20.715 -4.417 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.462 -1.977 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.789 -1.561 -1.083 1.00 0.00 H new ATOM 15 N SER A 81 -18.398 -4.249 -1.956 1.00 0.00 N ATOM 16 CA SER A 81 -17.059 -4.613 -2.408 1.00 0.00 C ATOM 17 C SER A 81 -16.088 -3.478 -2.134 1.00 0.00 C ATOM 18 O SER A 81 -14.984 -3.693 -1.633 1.00 0.00 O ATOM 19 CB SER A 81 -17.079 -4.909 -3.908 1.00 0.00 C ATOM 20 OG SER A 81 -17.842 -3.909 -4.571 1.00 0.00 O ATOM 0 H SER A 81 -19.113 -4.261 -2.684 1.00 0.00 H new ATOM 0 HA SER A 81 -16.737 -5.502 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.062 -4.928 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.510 -5.893 -4.091 1.00 0.00 H new ATOM 0 HG SER A 81 -17.857 -4.093 -5.533 1.00 0.00 H new ATOM 26 N GLU A 82 -16.499 -2.268 -2.479 1.00 0.00 N ATOM 27 CA GLU A 82 -15.654 -1.105 -2.279 1.00 0.00 C ATOM 28 C GLU A 82 -15.284 -0.968 -0.805 1.00 0.00 C ATOM 29 O GLU A 82 -14.158 -0.598 -0.473 1.00 0.00 O ATOM 30 CB GLU A 82 -16.395 0.143 -2.753 1.00 0.00 C ATOM 31 CG GLU A 82 -15.440 1.340 -2.782 1.00 0.00 C ATOM 32 CD GLU A 82 -14.513 1.243 -3.988 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.713 0.350 -4.796 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.615 2.062 -4.087 1.00 0.00 O ATOM 0 H GLU A 82 -17.408 -2.068 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.736 -1.223 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.810 -0.026 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.234 0.352 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.010 2.268 -2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.853 1.369 -1.864 1.00 0.00 H new ATOM 41 N GLU A 83 -16.229 -1.278 0.078 1.00 0.00 N ATOM 42 CA GLU A 83 -15.973 -1.193 1.510 1.00 0.00 C ATOM 43 C GLU A 83 -14.912 -2.217 1.906 1.00 0.00 C ATOM 44 O GLU A 83 -14.046 -1.944 2.737 1.00 0.00 O ATOM 45 CB GLU A 83 -17.268 -1.456 2.285 1.00 0.00 C ATOM 46 CG GLU A 83 -17.024 -1.268 3.784 1.00 0.00 C ATOM 47 CD GLU A 83 -18.327 -1.461 4.553 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.275 -1.949 3.959 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.359 -1.117 5.722 1.00 0.00 O ATOM 0 H GLU A 83 -17.169 -1.587 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.611 -0.194 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.049 -0.776 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.620 -2.469 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.278 -1.982 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.624 -0.272 3.974 1.00 0.00 H new ATOM 56 N GLU A 84 -14.977 -3.390 1.284 1.00 0.00 N ATOM 57 CA GLU A 84 -14.016 -4.450 1.554 1.00 0.00 C ATOM 58 C GLU A 84 -12.618 -4.024 1.102 1.00 0.00 C ATOM 59 O GLU A 84 -11.626 -4.282 1.782 1.00 0.00 O ATOM 60 CB GLU A 84 -14.472 -5.734 0.835 1.00 0.00 C ATOM 61 CG GLU A 84 -13.282 -6.658 0.579 1.00 0.00 C ATOM 62 CD GLU A 84 -13.763 -8.070 0.262 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.931 -8.218 -0.061 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.959 -8.984 0.348 1.00 0.00 O ATOM 0 H GLU A 84 -15.685 -3.629 0.590 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.968 -4.646 2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.217 -6.251 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.950 -5.478 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.688 -6.275 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.633 -6.676 1.454 1.00 0.00 H new ATOM 71 N LEU A 85 -12.550 -3.369 -0.043 1.00 0.00 N ATOM 72 CA LEU A 85 -11.273 -2.907 -0.567 1.00 0.00 C ATOM 73 C LEU A 85 -10.643 -1.919 0.407 1.00 0.00 C ATOM 74 O LEU A 85 -9.447 -1.977 0.690 1.00 0.00 O ATOM 75 CB LEU A 85 -11.494 -2.236 -1.922 1.00 0.00 C ATOM 76 CG LEU A 85 -10.188 -1.659 -2.465 1.00 0.00 C ATOM 77 CD1 LEU A 85 -9.103 -2.748 -2.525 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.441 -1.111 -3.872 1.00 0.00 C ATOM 0 H LEU A 85 -13.357 -3.145 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.602 -3.757 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.898 -2.960 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.233 -1.441 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.843 -0.863 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.179 -2.320 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.927 -3.142 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.433 -3.555 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.516 -0.695 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.787 -1.917 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.200 -0.330 -3.827 1.00 0.00 H new ATOM 90 N LYS A 86 -11.471 -1.019 0.918 1.00 0.00 N ATOM 91 CA LYS A 86 -11.015 -0.015 1.871 1.00 0.00 C ATOM 92 C LYS A 86 -10.534 -0.676 3.158 1.00 0.00 C ATOM 93 O LYS A 86 -9.589 -0.202 3.790 1.00 0.00 O ATOM 94 CB LYS A 86 -12.140 0.975 2.158 1.00 0.00 C ATOM 95 CG LYS A 86 -12.388 1.804 0.895 1.00 0.00 C ATOM 96 CD LYS A 86 -13.604 2.726 1.082 1.00 0.00 C ATOM 97 CE LYS A 86 -13.180 4.028 1.771 1.00 0.00 C ATOM 98 NZ LYS A 86 -12.358 4.842 0.828 1.00 0.00 N ATOM 0 H LYS A 86 -12.463 -0.963 0.689 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.174 0.527 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.047 0.445 2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.871 1.624 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.505 2.400 0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.555 1.141 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.054 2.948 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.364 2.221 1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.060 4.591 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.608 3.806 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.459 5.099 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.165 4.288 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.876 5.707 0.573 1.00 0.00 H new ATOM 112 N GLU A 87 -11.149 -1.798 3.517 1.00 0.00 N ATOM 113 CA GLU A 87 -10.711 -2.522 4.704 1.00 0.00 C ATOM 114 C GLU A 87 -9.291 -3.020 4.461 1.00 0.00 C ATOM 115 O GLU A 87 -8.417 -2.895 5.317 1.00 0.00 O ATOM 116 CB GLU A 87 -11.640 -3.702 5.010 1.00 0.00 C ATOM 117 CG GLU A 87 -12.958 -3.182 5.587 1.00 0.00 C ATOM 118 CD GLU A 87 -13.935 -4.336 5.776 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.583 -5.450 5.421 1.00 0.00 O ATOM 120 OE2 GLU A 87 -15.022 -4.092 6.274 1.00 0.00 O ATOM 0 H GLU A 87 -11.933 -2.218 3.017 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.739 -1.854 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.830 -4.274 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.163 -4.379 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.777 -2.688 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.388 -2.436 4.919 1.00 0.00 H new ATOM 127 N ALA A 88 -9.073 -3.558 3.263 1.00 0.00 N ATOM 128 CA ALA A 88 -7.753 -4.047 2.883 1.00 0.00 C ATOM 129 C ALA A 88 -6.762 -2.891 2.919 1.00 0.00 C ATOM 130 O ALA A 88 -5.638 -3.028 3.396 1.00 0.00 O ATOM 131 CB ALA A 88 -7.806 -4.646 1.477 1.00 0.00 C ATOM 0 H ALA A 88 -9.789 -3.665 2.544 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.435 -4.820 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.817 -5.010 1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.515 -5.474 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.124 -3.882 0.768 1.00 0.00 H new ATOM 137 N PHE A 89 -7.195 -1.742 2.418 1.00 0.00 N ATOM 138 CA PHE A 89 -6.354 -0.558 2.411 1.00 0.00 C ATOM 139 C PHE A 89 -5.956 -0.185 3.837 1.00 0.00 C ATOM 140 O PHE A 89 -4.794 0.115 4.113 1.00 0.00 O ATOM 141 CB PHE A 89 -7.112 0.591 1.760 1.00 0.00 C ATOM 142 CG PHE A 89 -6.328 1.863 1.930 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.229 2.129 1.108 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.698 2.767 2.927 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.497 3.305 1.287 1.00 0.00 C ATOM 146 CE2 PHE A 89 -5.971 3.942 3.107 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.867 4.210 2.286 1.00 0.00 C ATOM 0 H PHE A 89 -8.121 -1.607 2.013 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.447 -0.762 1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.268 0.385 0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.098 0.695 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.947 1.427 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.548 2.556 3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.647 3.515 0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.257 4.644 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.300 5.119 2.426 1.00 0.00 H new ATOM 157 N ARG A 90 -6.933 -0.204 4.734 1.00 0.00 N ATOM 158 CA ARG A 90 -6.696 0.134 6.132 1.00 0.00 C ATOM 159 C ARG A 90 -5.721 -0.857 6.770 1.00 0.00 C ATOM 160 O ARG A 90 -4.929 -0.491 7.639 1.00 0.00 O ATOM 161 CB ARG A 90 -8.024 0.124 6.888 1.00 0.00 C ATOM 162 CG ARG A 90 -7.854 0.818 8.239 1.00 0.00 C ATOM 163 CD ARG A 90 -9.192 0.818 8.976 1.00 0.00 C ATOM 164 NE ARG A 90 -9.587 -0.549 9.293 1.00 0.00 N ATOM 165 CZ ARG A 90 -10.750 -0.813 9.877 1.00 0.00 C ATOM 166 NH1 ARG A 90 -11.869 -0.511 9.276 1.00 0.00 N ATOM 167 NH2 ARG A 90 -10.773 -1.377 11.053 1.00 0.00 N ATOM 0 H ARG A 90 -7.899 -0.450 4.518 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.254 1.129 6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.791 0.631 6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.362 -0.902 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.098 0.304 8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.505 1.840 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.112 1.404 9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.956 1.292 8.360 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.958 -1.318 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.851 -0.071 8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.761 -0.715 9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.899 -1.614 11.522 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.665 -1.581 11.504 1.00 0.00 H new ATOM 181 N VAL A 91 -5.770 -2.108 6.315 1.00 0.00 N ATOM 182 CA VAL A 91 -4.869 -3.141 6.826 1.00 0.00 C ATOM 183 C VAL A 91 -3.429 -2.821 6.426 1.00 0.00 C ATOM 184 O VAL A 91 -2.501 -2.953 7.223 1.00 0.00 O ATOM 185 CB VAL A 91 -5.271 -4.514 6.259 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.190 -5.555 6.581 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.613 -4.955 6.866 1.00 0.00 C ATOM 0 H VAL A 91 -6.420 -2.430 5.598 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.941 -3.167 7.913 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.374 -4.433 5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.485 -6.523 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.244 -5.247 6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.073 -5.635 7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.893 -5.928 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.516 -5.027 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.382 -4.224 6.618 1.00 0.00 H new ATOM 197 N PHE A 92 -3.264 -2.419 5.170 1.00 0.00 N ATOM 198 CA PHE A 92 -1.951 -2.096 4.626 1.00 0.00 C ATOM 199 C PHE A 92 -1.314 -0.889 5.321 1.00 0.00 C ATOM 200 O PHE A 92 -0.098 -0.847 5.507 1.00 0.00 O ATOM 201 CB PHE A 92 -2.067 -1.787 3.125 1.00 0.00 C ATOM 202 CG PHE A 92 -2.262 -3.064 2.328 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.261 -4.043 2.312 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.434 -3.257 1.586 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.438 -5.209 1.557 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.611 -4.417 0.836 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.614 -5.397 0.818 1.00 0.00 C ATOM 0 H PHE A 92 -4.030 -2.309 4.506 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.316 -2.966 4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.905 -1.112 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.168 -1.273 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.354 -3.899 2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.206 -2.501 1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.667 -5.965 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.519 -4.560 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.750 -6.297 0.236 1.00 0.00 H new ATOM 217 N ASP A 93 -2.128 0.104 5.660 1.00 0.00 N ATOM 218 CA ASP A 93 -1.611 1.325 6.287 1.00 0.00 C ATOM 219 C ASP A 93 -1.534 1.205 7.809 1.00 0.00 C ATOM 220 O ASP A 93 -2.476 1.559 8.520 1.00 0.00 O ATOM 221 CB ASP A 93 -2.508 2.507 5.906 1.00 0.00 C ATOM 222 CG ASP A 93 -1.797 3.835 6.170 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.575 3.843 6.198 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.485 4.828 6.334 1.00 0.00 O ATOM 0 H ASP A 93 -3.138 0.094 5.516 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.596 1.484 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.780 2.438 4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.435 2.465 6.478 1.00 0.00 H new ATOM 229 N LYS A 94 -0.399 0.717 8.300 1.00 0.00 N ATOM 230 CA LYS A 94 -0.197 0.572 9.729 1.00 0.00 C ATOM 231 C LYS A 94 -0.350 1.930 10.405 1.00 0.00 C ATOM 232 O LYS A 94 -1.021 2.059 11.426 1.00 0.00 O ATOM 233 CB LYS A 94 1.200 0.007 9.996 1.00 0.00 C ATOM 234 CG LYS A 94 1.356 -0.249 11.489 1.00 0.00 C ATOM 235 CD LYS A 94 2.727 -0.870 11.768 1.00 0.00 C ATOM 236 CE LYS A 94 2.872 -1.140 13.267 1.00 0.00 C ATOM 237 NZ LYS A 94 4.184 -1.795 13.530 1.00 0.00 N ATOM 0 H LYS A 94 0.390 0.417 7.727 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.940 -0.114 10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.344 -0.918 9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.961 0.708 9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.251 0.685 12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.567 -0.915 11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.837 -1.799 11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.517 -0.199 11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.802 -0.206 13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.059 -1.779 13.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.282 -1.978 14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.234 -2.694 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.953 -1.170 13.215 1.00 0.00 H new ATOM 251 N ASP A 95 0.281 2.938 9.815 1.00 0.00 N ATOM 252 CA ASP A 95 0.220 4.295 10.344 1.00 0.00 C ATOM 253 C ASP A 95 -1.215 4.830 10.317 1.00 0.00 C ATOM 254 O ASP A 95 -1.614 5.581 11.204 1.00 0.00 O ATOM 255 CB ASP A 95 1.121 5.199 9.508 1.00 0.00 C ATOM 256 CG ASP A 95 0.955 6.656 9.923 1.00 0.00 C ATOM 257 OD1 ASP A 95 0.529 6.890 11.042 1.00 0.00 O ATOM 258 OD2 ASP A 95 1.249 7.515 9.108 1.00 0.00 O ATOM 0 H ASP A 95 0.842 2.841 8.969 1.00 0.00 H new ATOM 0 HA ASP A 95 0.560 4.283 11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.161 4.897 9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.878 5.087 8.451 1.00 0.00 H new ATOM 263 N GLN A 96 -1.970 4.437 9.284 1.00 0.00 N ATOM 264 CA GLN A 96 -3.370 4.870 9.113 1.00 0.00 C ATOM 265 C GLN A 96 -3.470 6.368 8.842 1.00 0.00 C ATOM 266 O GLN A 96 -4.280 7.048 9.470 1.00 0.00 O ATOM 267 CB GLN A 96 -4.216 4.606 10.362 1.00 0.00 C ATOM 268 CG GLN A 96 -4.209 3.136 10.761 1.00 0.00 C ATOM 269 CD GLN A 96 -4.966 3.001 12.081 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.140 2.632 12.093 1.00 0.00 O ATOM 271 NE2 GLN A 96 -4.369 3.336 13.197 1.00 0.00 N ATOM 0 H GLN A 96 -1.636 3.816 8.547 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.741 4.291 8.267 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.838 5.207 11.189 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.242 4.926 10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.680 2.529 9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.186 2.776 10.870 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.396 3.641 13.183 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.877 3.292 14.080 1.00 0.00 H new ATOM 280 N ASN A 97 -2.680 6.890 7.912 1.00 0.00 N ATOM 281 CA ASN A 97 -2.743 8.326 7.596 1.00 0.00 C ATOM 282 C ASN A 97 -3.357 8.522 6.220 1.00 0.00 C ATOM 283 O ASN A 97 -3.400 9.633 5.694 1.00 0.00 O ATOM 284 CB ASN A 97 -1.341 8.935 7.628 1.00 0.00 C ATOM 285 CG ASN A 97 -0.516 8.406 6.464 1.00 0.00 C ATOM 286 OD1 ASN A 97 -0.927 7.464 5.788 1.00 0.00 O ATOM 287 ND2 ASN A 97 0.630 8.964 6.186 1.00 0.00 N ATOM 0 H ASN A 97 -1.999 6.360 7.369 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.362 8.825 8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.406 10.022 7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.852 8.692 8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.189 8.619 5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.967 9.745 6.749 1.00 0.00 H new ATOM 294 N GLY A 98 -3.825 7.422 5.647 1.00 0.00 N ATOM 295 CA GLY A 98 -4.428 7.455 4.323 1.00 0.00 C ATOM 296 C GLY A 98 -3.354 7.333 3.251 1.00 0.00 C ATOM 297 O GLY A 98 -3.530 7.789 2.121 1.00 0.00 O ATOM 0 H GLY A 98 -3.799 6.498 6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.146 6.641 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.980 8.385 4.190 1.00 0.00 H new ATOM 301 N PHE A 99 -2.240 6.701 3.616 1.00 0.00 N ATOM 302 CA PHE A 99 -1.135 6.502 2.683 1.00 0.00 C ATOM 303 C PHE A 99 -0.313 5.279 3.070 1.00 0.00 C ATOM 304 O PHE A 99 0.170 5.181 4.197 1.00 0.00 O ATOM 305 CB PHE A 99 -0.204 7.716 2.696 1.00 0.00 C ATOM 306 CG PHE A 99 -0.897 8.913 2.094 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.754 9.692 2.876 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.673 9.246 0.754 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.394 10.805 2.319 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.311 10.361 0.195 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.173 11.137 0.977 1.00 0.00 C ATOM 0 H PHE A 99 -2.080 6.319 4.548 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.565 6.362 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.100 7.939 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.704 7.493 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.923 9.435 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.009 8.644 0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.057 11.407 2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.137 10.621 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.669 11.994 0.545 1.00 0.00 H new ATOM 321 N ILE A 100 -0.124 4.362 2.126 1.00 0.00 N ATOM 322 CA ILE A 100 0.683 3.176 2.395 1.00 0.00 C ATOM 323 C ILE A 100 2.128 3.491 2.041 1.00 0.00 C ATOM 324 O ILE A 100 2.424 3.982 0.951 1.00 0.00 O ATOM 325 CB ILE A 100 0.194 1.981 1.576 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.284 1.735 1.881 1.00 0.00 C ATOM 327 CG2 ILE A 100 1.002 0.741 1.962 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.871 0.776 0.844 1.00 0.00 C ATOM 0 H ILE A 100 -0.511 4.414 1.184 1.00 0.00 H new ATOM 0 HA ILE A 100 0.597 2.912 3.449 1.00 0.00 H new ATOM 0 HB ILE A 100 0.322 2.186 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.394 1.316 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.830 2.678 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.657 -0.114 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.058 0.917 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.868 0.535 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.924 0.603 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.775 1.212 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.333 -0.171 0.878 1.00 0.00 H new ATOM 340 N SER A 101 3.015 3.220 2.982 1.00 0.00 N ATOM 341 CA SER A 101 4.440 3.487 2.789 1.00 0.00 C ATOM 342 C SER A 101 5.202 2.188 2.579 1.00 0.00 C ATOM 343 O SER A 101 4.751 1.122 2.997 1.00 0.00 O ATOM 344 CB SER A 101 4.999 4.203 4.019 1.00 0.00 C ATOM 345 OG SER A 101 5.396 3.235 4.978 1.00 0.00 O ATOM 0 H SER A 101 2.780 2.816 3.888 1.00 0.00 H new ATOM 0 HA SER A 101 4.559 4.116 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.849 4.825 3.738 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.245 4.866 4.443 1.00 0.00 H new ATOM 0 HG SER A 101 5.757 3.687 5.769 1.00 0.00 H new ATOM 351 N ALA A 102 6.373 2.283 1.959 1.00 0.00 N ATOM 352 CA ALA A 102 7.189 1.099 1.744 1.00 0.00 C ATOM 353 C ALA A 102 7.480 0.479 3.099 1.00 0.00 C ATOM 354 O ALA A 102 7.390 -0.736 3.282 1.00 0.00 O ATOM 355 CB ALA A 102 8.505 1.484 1.053 1.00 0.00 C ATOM 0 H ALA A 102 6.771 3.152 1.603 1.00 0.00 H new ATOM 0 HA ALA A 102 6.662 0.389 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.109 0.590 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.288 1.949 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.053 2.187 1.680 1.00 0.00 H new ATOM 361 N ALA A 103 7.818 1.341 4.048 1.00 0.00 N ATOM 362 CA ALA A 103 8.114 0.906 5.402 1.00 0.00 C ATOM 363 C ALA A 103 6.920 0.157 5.980 1.00 0.00 C ATOM 364 O ALA A 103 7.059 -0.950 6.495 1.00 0.00 O ATOM 365 CB ALA A 103 8.423 2.125 6.272 1.00 0.00 C ATOM 0 H ALA A 103 7.894 2.348 3.903 1.00 0.00 H new ATOM 0 HA ALA A 103 8.977 0.241 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.645 1.800 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.284 2.654 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.560 2.791 6.285 1.00 0.00 H new ATOM 371 N GLU A 104 5.743 0.766 5.872 1.00 0.00 N ATOM 372 CA GLU A 104 4.527 0.160 6.368 1.00 0.00 C ATOM 373 C GLU A 104 4.214 -1.099 5.571 1.00 0.00 C ATOM 374 O GLU A 104 3.803 -2.118 6.126 1.00 0.00 O ATOM 375 CB GLU A 104 3.399 1.173 6.222 1.00 0.00 C ATOM 376 CG GLU A 104 3.636 2.329 7.193 1.00 0.00 C ATOM 377 CD GLU A 104 2.703 3.488 6.871 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.820 3.305 6.050 1.00 0.00 O ATOM 379 OE2 GLU A 104 2.891 4.545 7.448 1.00 0.00 O ATOM 0 H GLU A 104 5.613 1.682 5.443 1.00 0.00 H new ATOM 0 HA GLU A 104 4.642 -0.120 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.357 1.545 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.439 0.699 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.470 1.993 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.673 2.659 7.130 1.00 0.00 H new ATOM 386 N LEU A 105 4.428 -1.018 4.264 1.00 0.00 N ATOM 387 CA LEU A 105 4.188 -2.149 3.379 1.00 0.00 C ATOM 388 C LEU A 105 5.140 -3.291 3.731 1.00 0.00 C ATOM 389 O LEU A 105 4.775 -4.466 3.673 1.00 0.00 O ATOM 390 CB LEU A 105 4.397 -1.721 1.922 1.00 0.00 C ATOM 391 CG LEU A 105 3.897 -2.820 0.964 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.367 -2.762 0.830 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.523 -2.618 -0.420 1.00 0.00 C ATOM 0 H LEU A 105 4.768 -0.179 3.793 1.00 0.00 H new ATOM 0 HA LEU A 105 3.161 -2.492 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.863 -0.791 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.454 -1.525 1.742 1.00 0.00 H new ATOM 0 HG LEU A 105 4.186 -3.790 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.031 -3.545 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.910 -2.911 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.073 -1.789 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.169 -3.396 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.238 -1.641 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.609 -2.674 -0.340 1.00 0.00 H new ATOM 405 N ARG A 106 6.360 -2.924 4.112 1.00 0.00 N ATOM 406 CA ARG A 106 7.364 -3.913 4.495 1.00 0.00 C ATOM 407 C ARG A 106 6.922 -4.645 5.757 1.00 0.00 C ATOM 408 O ARG A 106 7.059 -5.865 5.863 1.00 0.00 O ATOM 409 CB ARG A 106 8.719 -3.239 4.740 1.00 0.00 C ATOM 410 CG ARG A 106 9.775 -4.306 5.057 1.00 0.00 C ATOM 411 CD ARG A 106 11.135 -3.639 5.272 1.00 0.00 C ATOM 412 NE ARG A 106 12.175 -4.653 5.423 1.00 0.00 N ATOM 413 CZ ARG A 106 13.391 -4.333 5.854 1.00 0.00 C ATOM 414 NH1 ARG A 106 13.535 -3.561 6.896 1.00 0.00 N ATOM 415 NH2 ARG A 106 14.444 -4.792 5.233 1.00 0.00 N ATOM 0 H ARG A 106 6.677 -1.956 4.164 1.00 0.00 H new ATOM 0 HA ARG A 106 7.469 -4.629 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.017 -2.668 3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.641 -2.533 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.487 -4.862 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.837 -5.024 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.368 -2.991 4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.102 -3.006 6.159 1.00 0.00 H new ATOM 0 HE ARG A 106 11.964 -5.624 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.713 -3.202 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.469 -3.317 7.225 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.333 -5.395 4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.378 -4.547 5.563 1.00 0.00 H new ATOM 429 N HIS A 107 6.395 -3.890 6.716 1.00 0.00 N ATOM 430 CA HIS A 107 5.942 -4.469 7.976 1.00 0.00 C ATOM 431 C HIS A 107 4.767 -5.418 7.752 1.00 0.00 C ATOM 432 O HIS A 107 4.700 -6.492 8.349 1.00 0.00 O ATOM 433 CB HIS A 107 5.522 -3.352 8.933 1.00 0.00 C ATOM 434 CG HIS A 107 6.742 -2.592 9.380 1.00 0.00 C ATOM 435 ND1 HIS A 107 7.071 -1.351 8.860 1.00 0.00 N ATOM 436 CD2 HIS A 107 7.725 -2.889 10.290 1.00 0.00 C ATOM 437 CE1 HIS A 107 8.211 -0.951 9.453 1.00 0.00 C ATOM 438 NE2 HIS A 107 8.652 -1.853 10.335 1.00 0.00 N ATOM 0 H HIS A 107 6.271 -2.880 6.645 1.00 0.00 H new ATOM 0 HA HIS A 107 6.766 -5.037 8.408 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.821 -2.679 8.439 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.005 -3.772 9.796 1.00 0.00 H new ATOM 0 HD1 HIS A 107 6.545 -0.834 8.156 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.772 -3.791 10.882 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.708 -0.016 9.242 1.00 0.00 H new ATOM 446 N VAL A 108 3.845 -5.016 6.888 1.00 0.00 N ATOM 447 CA VAL A 108 2.674 -5.835 6.586 1.00 0.00 C ATOM 448 C VAL A 108 3.091 -7.123 5.876 1.00 0.00 C ATOM 449 O VAL A 108 2.570 -8.200 6.163 1.00 0.00 O ATOM 450 CB VAL A 108 1.695 -5.039 5.721 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.513 -5.925 5.321 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.181 -3.837 6.520 1.00 0.00 C ATOM 0 H VAL A 108 3.883 -4.130 6.384 1.00 0.00 H new ATOM 0 HA VAL A 108 2.181 -6.106 7.520 1.00 0.00 H new ATOM 0 HB VAL A 108 2.205 -4.696 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.180 -5.351 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.876 -6.783 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.001 -6.273 6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.483 -3.266 5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.674 -4.188 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.021 -3.202 6.802 1.00 0.00 H new ATOM 462 N MET A 109 4.045 -7.000 4.958 1.00 0.00 N ATOM 463 CA MET A 109 4.550 -8.149 4.211 1.00 0.00 C ATOM 464 C MET A 109 5.306 -9.102 5.140 1.00 0.00 C ATOM 465 O MET A 109 5.306 -10.313 4.931 1.00 0.00 O ATOM 466 CB MET A 109 5.484 -7.662 3.097 1.00 0.00 C ATOM 467 CG MET A 109 4.659 -7.096 1.936 1.00 0.00 C ATOM 468 SD MET A 109 3.787 -8.437 1.092 1.00 0.00 S ATOM 469 CE MET A 109 2.875 -7.406 -0.083 1.00 0.00 C ATOM 0 H MET A 109 4.486 -6.113 4.712 1.00 0.00 H new ATOM 0 HA MET A 109 3.707 -8.685 3.775 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.157 -6.897 3.483 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.106 -8.485 2.746 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.944 -6.363 2.310 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.311 -6.576 1.234 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.257 -8.039 -0.719 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.239 -6.709 0.462 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.579 -6.848 -0.701 1.00 0.00 H new ATOM 479 N THR A 110 5.941 -8.548 6.172 1.00 0.00 N ATOM 480 CA THR A 110 6.677 -9.361 7.125 1.00 0.00 C ATOM 481 C THR A 110 5.713 -10.081 8.064 1.00 0.00 C ATOM 482 O THR A 110 5.909 -11.250 8.401 1.00 0.00 O ATOM 483 CB THR A 110 7.615 -8.465 7.926 1.00 0.00 C ATOM 484 OG1 THR A 110 6.897 -7.341 8.406 1.00 0.00 O ATOM 485 CG2 THR A 110 8.770 -7.995 7.037 1.00 0.00 C ATOM 0 H THR A 110 5.958 -7.546 6.364 1.00 0.00 H new ATOM 0 HA THR A 110 7.257 -10.111 6.587 1.00 0.00 H new ATOM 0 HB THR A 110 8.018 -9.027 8.768 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.941 -7.462 8.225 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.437 -7.355 7.615 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.323 -8.860 6.672 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.373 -7.435 6.191 1.00 0.00 H new ATOM 493 N ASN A 111 4.657 -9.377 8.458 1.00 0.00 N ATOM 494 CA ASN A 111 3.637 -9.947 9.333 1.00 0.00 C ATOM 495 C ASN A 111 2.961 -11.104 8.612 1.00 0.00 C ATOM 496 O ASN A 111 2.627 -12.134 9.199 1.00 0.00 O ATOM 497 CB ASN A 111 2.590 -8.876 9.661 1.00 0.00 C ATOM 498 CG ASN A 111 3.105 -7.929 10.738 1.00 0.00 C ATOM 499 OD1 ASN A 111 3.113 -6.714 10.544 1.00 0.00 O ATOM 500 ND2 ASN A 111 3.532 -8.413 11.871 1.00 0.00 N ATOM 0 H ASN A 111 4.484 -8.409 8.185 1.00 0.00 H new ATOM 0 HA ASN A 111 4.097 -10.300 10.256 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.346 -8.312 8.761 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.669 -9.352 9.999 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.873 -7.784 12.598 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.525 -9.420 12.030 1.00 0.00 H new ATOM 507 N LEU A 112 2.765 -10.884 7.326 1.00 0.00 N ATOM 508 CA LEU A 112 2.126 -11.838 6.437 1.00 0.00 C ATOM 509 C LEU A 112 2.922 -13.142 6.364 1.00 0.00 C ATOM 510 O LEU A 112 2.352 -14.233 6.318 1.00 0.00 O ATOM 511 CB LEU A 112 2.064 -11.174 5.057 1.00 0.00 C ATOM 512 CG LEU A 112 1.364 -12.057 4.024 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.047 -12.431 4.506 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.267 -11.274 2.706 1.00 0.00 C ATOM 0 H LEU A 112 3.050 -10.022 6.861 1.00 0.00 H new ATOM 0 HA LEU A 112 1.131 -12.095 6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.538 -10.223 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.075 -10.951 4.717 1.00 0.00 H new ATOM 0 HG LEU A 112 1.933 -12.976 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.532 -13.060 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.023 -12.975 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.634 -11.524 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.770 -11.887 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.694 -10.361 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.269 -11.018 2.361 1.00 0.00 H new ATOM 526 N GLY A 113 4.241 -13.009 6.336 1.00 0.00 N ATOM 527 CA GLY A 113 5.136 -14.164 6.244 1.00 0.00 C ATOM 528 C GLY A 113 5.743 -14.208 4.853 1.00 0.00 C ATOM 529 O GLY A 113 6.233 -15.239 4.393 1.00 0.00 O ATOM 0 H GLY A 113 4.721 -12.110 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.922 -14.092 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.586 -15.084 6.444 1.00 0.00 H new ATOM 533 N GLU A 114 5.733 -13.043 4.217 1.00 0.00 N ATOM 534 CA GLU A 114 6.304 -12.865 2.892 1.00 0.00 C ATOM 535 C GLU A 114 7.639 -12.154 3.048 1.00 0.00 C ATOM 536 O GLU A 114 7.751 -11.216 3.837 1.00 0.00 O ATOM 537 CB GLU A 114 5.361 -12.032 2.037 1.00 0.00 C ATOM 538 CG GLU A 114 4.166 -12.890 1.631 1.00 0.00 C ATOM 539 CD GLU A 114 4.592 -13.919 0.589 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.171 -13.518 -0.407 1.00 0.00 O ATOM 541 OE2 GLU A 114 4.331 -15.092 0.803 1.00 0.00 O ATOM 0 H GLU A 114 5.327 -12.193 4.609 1.00 0.00 H new ATOM 0 HA GLU A 114 6.449 -13.829 2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.024 -11.157 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.880 -11.667 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.756 -13.395 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.375 -12.258 1.228 1.00 0.00 H new ATOM 548 N LYS A 115 8.657 -12.606 2.323 1.00 0.00 N ATOM 549 CA LYS A 115 9.987 -12.001 2.431 1.00 0.00 C ATOM 550 C LYS A 115 10.274 -11.097 1.236 1.00 0.00 C ATOM 551 O LYS A 115 10.967 -11.490 0.296 1.00 0.00 O ATOM 552 CB LYS A 115 11.053 -13.113 2.526 1.00 0.00 C ATOM 553 CG LYS A 115 11.286 -13.505 3.994 1.00 0.00 C ATOM 554 CD LYS A 115 10.004 -14.098 4.583 1.00 0.00 C ATOM 555 CE LYS A 115 10.306 -14.705 5.954 1.00 0.00 C ATOM 556 NZ LYS A 115 10.686 -13.621 6.904 1.00 0.00 N ATOM 0 H LYS A 115 8.592 -13.379 1.661 1.00 0.00 H new ATOM 0 HA LYS A 115 10.020 -11.388 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.731 -13.985 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.987 -12.770 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.097 -14.230 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.591 -12.631 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.242 -13.324 4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.604 -14.861 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.433 -15.241 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.115 -15.431 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.726 -14.004 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.618 -13.242 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.979 -12.860 6.863 1.00 0.00 H new ATOM 570 N LEU A 116 9.754 -9.879 1.294 1.00 0.00 N ATOM 571 CA LEU A 116 9.974 -8.909 0.231 1.00 0.00 C ATOM 572 C LEU A 116 11.338 -8.245 0.402 1.00 0.00 C ATOM 573 O LEU A 116 11.870 -8.161 1.510 1.00 0.00 O ATOM 574 CB LEU A 116 8.896 -7.821 0.262 1.00 0.00 C ATOM 575 CG LEU A 116 7.618 -8.280 -0.455 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.838 -8.317 -1.981 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.209 -9.665 0.055 1.00 0.00 C ATOM 0 H LEU A 116 9.178 -9.540 2.064 1.00 0.00 H new ATOM 0 HA LEU A 116 9.931 -9.438 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.664 -7.566 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.276 -6.916 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 116 6.819 -7.570 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.922 -8.644 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.104 -7.321 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.644 -9.012 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.302 -9.988 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.010 -10.377 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.024 -9.617 1.128 1.00 0.00 H new ATOM 589 N THR A 117 11.876 -7.745 -0.704 1.00 0.00 N ATOM 590 CA THR A 117 13.160 -7.046 -0.694 1.00 0.00 C ATOM 591 C THR A 117 12.926 -5.550 -0.793 1.00 0.00 C ATOM 592 O THR A 117 11.811 -5.101 -1.054 1.00 0.00 O ATOM 593 CB THR A 117 14.023 -7.502 -1.866 1.00 0.00 C ATOM 594 OG1 THR A 117 13.542 -6.913 -3.063 1.00 0.00 O ATOM 595 CG2 THR A 117 13.969 -9.020 -1.974 1.00 0.00 C ATOM 0 H THR A 117 11.442 -7.810 -1.625 1.00 0.00 H new ATOM 0 HA THR A 117 13.677 -7.277 0.237 1.00 0.00 H new ATOM 0 HB THR A 117 15.055 -7.192 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.097 -7.204 -3.817 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.585 -9.347 -2.811 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.344 -9.464 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.939 -9.337 -2.136 1.00 0.00 H new ATOM 603 N ASP A 118 13.983 -4.784 -0.599 1.00 0.00 N ATOM 604 CA ASP A 118 13.887 -3.338 -0.686 1.00 0.00 C ATOM 605 C ASP A 118 13.532 -2.930 -2.108 1.00 0.00 C ATOM 606 O ASP A 118 12.746 -2.007 -2.324 1.00 0.00 O ATOM 607 CB ASP A 118 15.228 -2.730 -0.283 1.00 0.00 C ATOM 608 CG ASP A 118 15.159 -1.209 -0.326 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.064 -0.688 -0.458 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.203 -0.584 -0.220 1.00 0.00 O ATOM 0 H ASP A 118 14.915 -5.137 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 118 13.107 -2.977 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.496 -3.059 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.011 -3.083 -0.954 1.00 0.00 H new ATOM 615 N GLU A 119 14.132 -3.615 -3.073 1.00 0.00 N ATOM 616 CA GLU A 119 13.896 -3.315 -4.478 1.00 0.00 C ATOM 617 C GLU A 119 12.480 -3.697 -4.910 1.00 0.00 C ATOM 618 O GLU A 119 11.846 -2.963 -5.667 1.00 0.00 O ATOM 619 CB GLU A 119 14.912 -4.066 -5.332 1.00 0.00 C ATOM 620 CG GLU A 119 14.858 -3.545 -6.773 1.00 0.00 C ATOM 621 CD GLU A 119 15.416 -2.125 -6.837 1.00 0.00 C ATOM 622 OE1 GLU A 119 15.949 -1.672 -5.837 1.00 0.00 O ATOM 623 OE2 GLU A 119 15.303 -1.512 -7.886 1.00 0.00 O ATOM 0 H GLU A 119 14.785 -4.381 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 119 14.007 -2.240 -4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.914 -3.933 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.699 -5.135 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.433 -4.200 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.830 -3.557 -7.134 1.00 0.00 H new ATOM 630 N GLU A 120 11.974 -4.830 -4.425 1.00 0.00 N ATOM 631 CA GLU A 120 10.621 -5.240 -4.787 1.00 0.00 C ATOM 632 C GLU A 120 9.642 -4.235 -4.215 1.00 0.00 C ATOM 633 O GLU A 120 8.695 -3.812 -4.880 1.00 0.00 O ATOM 634 CB GLU A 120 10.310 -6.630 -4.228 1.00 0.00 C ATOM 635 CG GLU A 120 11.149 -7.678 -4.956 1.00 0.00 C ATOM 636 CD GLU A 120 10.945 -9.047 -4.317 1.00 0.00 C ATOM 637 OE1 GLU A 120 10.239 -9.115 -3.329 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.499 -10.006 -4.827 1.00 0.00 O ATOM 0 H GLU A 120 12.466 -5.465 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 120 10.536 -5.279 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.523 -6.658 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.250 -6.852 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.868 -7.714 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.203 -7.403 -4.917 1.00 0.00 H new ATOM 645 N VAL A 121 9.896 -3.855 -2.974 1.00 0.00 N ATOM 646 CA VAL A 121 9.062 -2.890 -2.286 1.00 0.00 C ATOM 647 C VAL A 121 9.085 -1.556 -3.027 1.00 0.00 C ATOM 648 O VAL A 121 8.042 -0.973 -3.306 1.00 0.00 O ATOM 649 CB VAL A 121 9.608 -2.711 -0.866 1.00 0.00 C ATOM 650 CG1 VAL A 121 8.985 -1.488 -0.193 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.291 -3.958 -0.049 1.00 0.00 C ATOM 0 H VAL A 121 10.679 -4.204 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 121 8.032 -3.244 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 121 10.686 -2.561 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.388 -1.382 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.218 -0.595 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.904 -1.614 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.677 -3.838 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.211 -4.103 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.758 -4.826 -0.514 1.00 0.00 H new ATOM 661 N ASP A 122 10.285 -1.087 -3.351 1.00 0.00 N ATOM 662 CA ASP A 122 10.432 0.172 -4.069 1.00 0.00 C ATOM 663 C ASP A 122 9.767 0.101 -5.444 1.00 0.00 C ATOM 664 O ASP A 122 9.027 1.005 -5.831 1.00 0.00 O ATOM 665 CB ASP A 122 11.919 0.496 -4.229 1.00 0.00 C ATOM 666 CG ASP A 122 12.098 1.727 -5.109 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.944 2.825 -4.599 1.00 0.00 O ATOM 668 OD2 ASP A 122 12.384 1.552 -6.280 1.00 0.00 O ATOM 0 H ASP A 122 11.163 -1.556 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 122 9.942 0.958 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.368 0.671 -3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.438 -0.354 -4.671 1.00 0.00 H new ATOM 673 N GLU A 123 10.049 -0.969 -6.186 1.00 0.00 N ATOM 674 CA GLU A 123 9.483 -1.131 -7.524 1.00 0.00 C ATOM 675 C GLU A 123 7.963 -1.079 -7.475 1.00 0.00 C ATOM 676 O GLU A 123 7.326 -0.443 -8.315 1.00 0.00 O ATOM 677 CB GLU A 123 9.932 -2.468 -8.120 1.00 0.00 C ATOM 678 CG GLU A 123 9.407 -2.602 -9.553 1.00 0.00 C ATOM 679 CD GLU A 123 9.907 -3.902 -10.171 1.00 0.00 C ATOM 680 OE1 GLU A 123 10.414 -4.730 -9.432 1.00 0.00 O ATOM 681 OE2 GLU A 123 9.776 -4.052 -11.374 1.00 0.00 O ATOM 0 H GLU A 123 10.660 -1.729 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 123 9.840 -0.314 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.020 -2.532 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.562 -3.291 -7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.317 -2.585 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.739 -1.754 -10.152 1.00 0.00 H new ATOM 688 N MET A 124 7.386 -1.733 -6.476 1.00 0.00 N ATOM 689 CA MET A 124 5.939 -1.737 -6.313 1.00 0.00 C ATOM 690 C MET A 124 5.442 -0.321 -6.065 1.00 0.00 C ATOM 691 O MET A 124 4.429 0.110 -6.617 1.00 0.00 O ATOM 692 CB MET A 124 5.576 -2.631 -5.126 1.00 0.00 C ATOM 693 CG MET A 124 4.095 -2.481 -4.785 1.00 0.00 C ATOM 694 SD MET A 124 3.577 -3.877 -3.758 1.00 0.00 S ATOM 695 CE MET A 124 1.857 -3.369 -3.521 1.00 0.00 C ATOM 0 H MET A 124 7.895 -2.265 -5.770 1.00 0.00 H new ATOM 0 HA MET A 124 5.468 -2.119 -7.219 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.798 -3.671 -5.364 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.184 -2.365 -4.262 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.924 -1.543 -4.257 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.501 -2.446 -5.698 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.342 -4.104 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.829 -2.397 -3.028 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.362 -3.299 -4.489 1.00 0.00 H new ATOM 705 N ILE A 125 6.182 0.390 -5.235 1.00 0.00 N ATOM 706 CA ILE A 125 5.852 1.767 -4.898 1.00 0.00 C ATOM 707 C ILE A 125 5.986 2.686 -6.119 1.00 0.00 C ATOM 708 O ILE A 125 5.063 3.433 -6.429 1.00 0.00 O ATOM 709 CB ILE A 125 6.759 2.214 -3.721 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.062 1.966 -2.366 1.00 0.00 C ATOM 711 CG2 ILE A 125 7.143 3.693 -3.819 1.00 0.00 C ATOM 712 CD1 ILE A 125 5.407 0.579 -2.304 1.00 0.00 C ATOM 0 H ILE A 125 7.022 0.036 -4.778 1.00 0.00 H new ATOM 0 HA ILE A 125 4.810 1.835 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 125 7.668 1.615 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.790 2.060 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.305 2.733 -2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.778 3.961 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.684 3.868 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.241 4.305 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.928 0.446 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.659 0.494 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.168 -0.189 -2.441 1.00 0.00 H new ATOM 724 N ARG A 126 7.117 2.614 -6.814 1.00 0.00 N ATOM 725 CA ARG A 126 7.319 3.449 -7.999 1.00 0.00 C ATOM 726 C ARG A 126 6.331 3.075 -9.096 1.00 0.00 C ATOM 727 O ARG A 126 5.836 3.936 -9.822 1.00 0.00 O ATOM 728 CB ARG A 126 8.751 3.322 -8.526 1.00 0.00 C ATOM 729 CG ARG A 126 9.714 4.046 -7.580 1.00 0.00 C ATOM 730 CD ARG A 126 11.141 3.936 -8.120 1.00 0.00 C ATOM 731 NE ARG A 126 12.010 4.898 -7.439 1.00 0.00 N ATOM 732 CZ ARG A 126 12.805 4.536 -6.435 1.00 0.00 C ATOM 733 NH1 ARG A 126 13.663 3.566 -6.595 1.00 0.00 N ATOM 734 NH2 ARG A 126 12.728 5.156 -5.289 1.00 0.00 N ATOM 0 H ARG A 126 7.897 1.998 -6.585 1.00 0.00 H new ATOM 0 HA ARG A 126 7.148 4.485 -7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.027 2.271 -8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.820 3.748 -9.527 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.429 5.094 -7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.657 3.610 -6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.518 2.924 -7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.148 4.124 -9.194 1.00 0.00 H new ATOM 0 HE ARG A 126 12.006 5.872 -7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.726 3.083 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.271 3.291 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.059 5.916 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.336 4.880 -4.518 1.00 0.00 H new ATOM 748 N GLU A 127 6.053 1.785 -9.207 1.00 0.00 N ATOM 749 CA GLU A 127 5.122 1.293 -10.213 1.00 0.00 C ATOM 750 C GLU A 127 3.698 1.765 -9.901 1.00 0.00 C ATOM 751 O GLU A 127 2.924 2.081 -10.806 1.00 0.00 O ATOM 752 CB GLU A 127 5.180 -0.238 -10.237 1.00 0.00 C ATOM 753 CG GLU A 127 4.311 -0.789 -11.373 1.00 0.00 C ATOM 754 CD GLU A 127 4.940 -0.459 -12.722 1.00 0.00 C ATOM 755 OE1 GLU A 127 6.061 0.021 -12.730 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.291 -0.697 -13.729 1.00 0.00 O ATOM 0 H GLU A 127 6.458 1.060 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 127 5.402 1.686 -11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.211 -0.567 -10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.837 -0.636 -9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.203 -1.869 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.310 -0.362 -11.316 1.00 0.00 H new ATOM 763 N ALA A 128 3.367 1.817 -8.610 1.00 0.00 N ATOM 764 CA ALA A 128 2.035 2.257 -8.175 1.00 0.00 C ATOM 765 C ALA A 128 2.003 3.775 -8.017 1.00 0.00 C ATOM 766 O ALA A 128 0.937 4.386 -8.079 1.00 0.00 O ATOM 767 CB ALA A 128 1.661 1.584 -6.849 1.00 0.00 C ATOM 0 H ALA A 128 3.997 1.562 -7.849 1.00 0.00 H new ATOM 0 HA ALA A 128 1.309 1.968 -8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.671 1.919 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.654 0.502 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.392 1.852 -6.086 1.00 0.00 H new ATOM 773 N ASP A 129 3.179 4.386 -7.859 1.00 0.00 N ATOM 774 CA ASP A 129 3.285 5.842 -7.741 1.00 0.00 C ATOM 775 C ASP A 129 3.680 6.396 -9.070 1.00 0.00 C ATOM 776 O ASP A 129 4.670 5.952 -9.643 1.00 0.00 O ATOM 777 CB ASP A 129 4.353 6.261 -6.736 1.00 0.00 C ATOM 778 CG ASP A 129 3.831 6.122 -5.323 1.00 0.00 C ATOM 779 OD1 ASP A 129 2.632 6.262 -5.142 1.00 0.00 O ATOM 780 OD2 ASP A 129 4.629 5.881 -4.436 1.00 0.00 O ATOM 0 H ASP A 129 4.072 3.895 -7.810 1.00 0.00 H new ATOM 0 HA ASP A 129 2.319 6.219 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.243 5.645 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.650 7.293 -6.921 1.00 0.00 H new ATOM 785 N VAL A 130 2.939 7.363 -9.564 1.00 0.00 N ATOM 786 CA VAL A 130 3.282 7.943 -10.848 1.00 0.00 C ATOM 787 C VAL A 130 3.448 9.467 -10.709 1.00 0.00 C ATOM 788 O VAL A 130 3.967 10.135 -11.600 1.00 0.00 O ATOM 789 CB VAL A 130 2.352 7.370 -11.938 1.00 0.00 C ATOM 790 CG1 VAL A 130 0.918 7.077 -11.405 1.00 0.00 C ATOM 791 CG2 VAL A 130 2.346 8.307 -13.161 1.00 0.00 C ATOM 0 H VAL A 130 2.115 7.758 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 130 4.267 7.648 -11.211 1.00 0.00 H new ATOM 0 HB VAL A 130 2.746 6.402 -12.249 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.305 6.676 -12.212 1.00 0.00 H new ATOM 0 HG12 VAL A 130 0.973 6.350 -10.595 1.00 0.00 H new ATOM 0 HG13 VAL A 130 0.472 8.000 -11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 130 1.688 7.899 -13.929 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.988 9.292 -12.863 1.00 0.00 H new ATOM 0 HG23 VAL A 130 3.357 8.393 -13.558 1.00 0.00 H new ATOM 801 N ASP A 131 3.139 9.955 -9.500 1.00 0.00 N ATOM 802 CA ASP A 131 3.420 11.358 -9.135 1.00 0.00 C ATOM 803 C ASP A 131 4.767 11.315 -8.409 1.00 0.00 C ATOM 804 O ASP A 131 5.322 12.333 -7.987 1.00 0.00 O ATOM 805 CB ASP A 131 2.382 11.980 -8.192 1.00 0.00 C ATOM 806 CG ASP A 131 2.148 11.088 -6.979 1.00 0.00 C ATOM 807 OD1 ASP A 131 2.718 10.011 -6.938 1.00 0.00 O ATOM 808 OD2 ASP A 131 1.396 11.493 -6.105 1.00 0.00 O ATOM 0 H ASP A 131 2.698 9.408 -8.761 1.00 0.00 H new ATOM 0 HA ASP A 131 3.406 11.971 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.723 12.962 -7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.443 12.129 -8.725 1.00 0.00 H new ATOM 813 N GLY A 132 5.276 10.086 -8.278 1.00 0.00 N ATOM 814 CA GLY A 132 6.553 9.825 -7.620 1.00 0.00 C ATOM 815 C GLY A 132 6.527 10.237 -6.152 1.00 0.00 C ATOM 816 O GLY A 132 7.570 10.359 -5.512 1.00 0.00 O ATOM 0 H GLY A 132 4.812 9.247 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.791 8.764 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.345 10.367 -8.136 1.00 0.00 H new ATOM 820 N ASP A 133 5.327 10.462 -5.635 1.00 0.00 N ATOM 821 CA ASP A 133 5.177 10.876 -4.247 1.00 0.00 C ATOM 822 C ASP A 133 5.893 9.896 -3.319 1.00 0.00 C ATOM 823 O ASP A 133 6.361 10.274 -2.244 1.00 0.00 O ATOM 824 CB ASP A 133 3.697 10.963 -3.874 1.00 0.00 C ATOM 825 CG ASP A 133 3.055 9.584 -3.928 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.662 8.688 -4.491 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.961 9.445 -3.405 1.00 0.00 O ATOM 0 H ASP A 133 4.452 10.366 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 133 5.627 11.862 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.592 11.381 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.182 11.638 -4.558 1.00 0.00 H new ATOM 832 N GLY A 134 5.982 8.637 -3.742 1.00 0.00 N ATOM 833 CA GLY A 134 6.652 7.614 -2.941 1.00 0.00 C ATOM 834 C GLY A 134 5.679 6.965 -1.967 1.00 0.00 C ATOM 835 O GLY A 134 6.054 6.101 -1.176 1.00 0.00 O ATOM 0 H GLY A 134 5.602 8.302 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.078 6.854 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.480 8.061 -2.391 1.00 0.00 H new ATOM 839 N GLN A 135 4.421 7.382 -2.045 1.00 0.00 N ATOM 840 CA GLN A 135 3.373 6.840 -1.184 1.00 0.00 C ATOM 841 C GLN A 135 2.166 6.471 -2.023 1.00 0.00 C ATOM 842 O GLN A 135 1.883 7.115 -3.037 1.00 0.00 O ATOM 843 CB GLN A 135 2.951 7.877 -0.140 1.00 0.00 C ATOM 844 CG GLN A 135 3.996 7.963 0.963 1.00 0.00 C ATOM 845 CD GLN A 135 3.671 9.120 1.902 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.938 8.942 2.874 1.00 0.00 O ATOM 847 NE2 GLN A 135 4.172 10.300 1.665 1.00 0.00 N ATOM 0 H GLN A 135 4.099 8.097 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 135 3.762 5.956 -0.678 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.829 8.852 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.985 7.605 0.284 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.024 7.028 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.985 8.104 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.779 10.444 0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.957 11.080 2.286 1.00 0.00 H new ATOM 856 N ILE A 136 1.444 5.439 -1.599 1.00 0.00 N ATOM 857 CA ILE A 136 0.260 5.014 -2.331 1.00 0.00 C ATOM 858 C ILE A 136 -0.966 5.524 -1.607 1.00 0.00 C ATOM 859 O ILE A 136 -1.278 5.083 -0.502 1.00 0.00 O ATOM 860 CB ILE A 136 0.206 3.480 -2.430 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.603 2.930 -2.746 1.00 0.00 C ATOM 862 CG2 ILE A 136 -0.766 3.058 -3.534 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.192 3.638 -3.968 1.00 0.00 C ATOM 0 H ILE A 136 1.654 4.890 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 136 0.296 5.420 -3.342 1.00 0.00 H new ATOM 0 HB ILE A 136 -0.137 3.079 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 136 2.258 3.069 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.545 1.858 -2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.797 1.970 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.762 3.437 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.432 3.466 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.183 3.236 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 136 1.544 3.476 -4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.269 4.707 -3.767 1.00 0.00 H new ATOM 875 N ASN A 137 -1.675 6.439 -2.246 1.00 0.00 N ATOM 876 CA ASN A 137 -2.886 6.984 -1.664 1.00 0.00 C ATOM 877 C ASN A 137 -4.009 5.998 -1.957 1.00 0.00 C ATOM 878 O ASN A 137 -3.872 5.154 -2.844 1.00 0.00 O ATOM 879 CB ASN A 137 -3.182 8.394 -2.245 1.00 0.00 C ATOM 880 CG ASN A 137 -2.114 8.793 -3.266 1.00 0.00 C ATOM 881 OD1 ASN A 137 -1.758 7.997 -4.135 1.00 0.00 O ATOM 882 ND2 ASN A 137 -1.581 9.983 -3.211 1.00 0.00 N ATOM 0 H ASN A 137 -1.434 6.817 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.783 7.113 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.164 8.399 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.213 9.126 -1.438 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.869 10.255 -3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -1.877 10.642 -2.490 1.00 0.00 H new ATOM 889 N TYR A 138 -5.096 6.067 -1.213 1.00 0.00 N ATOM 890 CA TYR A 138 -6.179 5.123 -1.432 1.00 0.00 C ATOM 891 C TYR A 138 -6.564 5.057 -2.911 1.00 0.00 C ATOM 892 O TYR A 138 -6.501 3.993 -3.522 1.00 0.00 O ATOM 893 CB TYR A 138 -7.403 5.502 -0.598 1.00 0.00 C ATOM 894 CG TYR A 138 -8.522 4.556 -0.959 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.400 3.201 -0.650 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.657 5.025 -1.628 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.409 2.309 -1.007 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.674 4.131 -1.983 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.548 2.771 -1.676 1.00 0.00 C ATOM 900 OH TYR A 138 -11.546 1.889 -2.031 1.00 0.00 O ATOM 0 H TYR A 138 -5.253 6.747 -0.470 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.826 4.140 -1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.175 5.435 0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.696 6.533 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.522 2.843 -0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.749 6.074 -1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.312 1.260 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.555 4.490 -2.493 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.079 2.273 -2.758 1.00 0.00 H new ATOM 910 N GLU A 139 -6.967 6.187 -3.479 1.00 0.00 N ATOM 911 CA GLU A 139 -7.374 6.214 -4.880 1.00 0.00 C ATOM 912 C GLU A 139 -6.340 5.522 -5.763 1.00 0.00 C ATOM 913 O GLU A 139 -6.693 4.750 -6.651 1.00 0.00 O ATOM 914 CB GLU A 139 -7.574 7.661 -5.339 1.00 0.00 C ATOM 915 CG GLU A 139 -6.286 8.450 -5.110 1.00 0.00 C ATOM 916 CD GLU A 139 -6.533 9.936 -5.338 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.353 10.259 -6.180 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.901 10.730 -4.659 1.00 0.00 O ATOM 0 H GLU A 139 -7.021 7.086 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.316 5.674 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.845 7.685 -6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.396 8.118 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.925 8.285 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.508 8.095 -5.786 1.00 0.00 H new ATOM 925 N GLU A 140 -5.067 5.800 -5.525 1.00 0.00 N ATOM 926 CA GLU A 140 -4.009 5.191 -6.319 1.00 0.00 C ATOM 927 C GLU A 140 -3.986 3.686 -6.080 1.00 0.00 C ATOM 928 O GLU A 140 -3.809 2.901 -7.013 1.00 0.00 O ATOM 929 CB GLU A 140 -2.668 5.809 -5.937 1.00 0.00 C ATOM 930 CG GLU A 140 -1.588 5.385 -6.935 1.00 0.00 C ATOM 931 CD GLU A 140 -0.313 6.169 -6.665 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.245 6.007 -5.595 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.087 6.920 -7.539 1.00 0.00 O ATOM 0 H GLU A 140 -4.743 6.436 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.195 5.373 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.752 6.896 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.388 5.495 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.396 4.316 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.929 5.565 -7.955 1.00 0.00 H new ATOM 940 N PHE A 141 -4.188 3.293 -4.826 1.00 0.00 N ATOM 941 CA PHE A 141 -4.212 1.877 -4.477 1.00 0.00 C ATOM 942 C PHE A 141 -5.351 1.205 -5.229 1.00 0.00 C ATOM 943 O PHE A 141 -5.201 0.109 -5.768 1.00 0.00 O ATOM 944 CB PHE A 141 -4.409 1.700 -2.964 1.00 0.00 C ATOM 945 CG PHE A 141 -4.202 0.247 -2.577 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.951 -0.358 -2.772 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.255 -0.501 -2.024 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.756 -1.694 -2.414 1.00 0.00 C ATOM 949 CE2 PHE A 141 -5.056 -1.836 -1.669 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.805 -2.433 -1.864 1.00 0.00 C ATOM 0 H PHE A 141 -4.336 3.928 -4.042 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.262 1.420 -4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.706 2.332 -2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.411 2.021 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.138 0.210 -3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.221 -0.042 -1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.791 -2.156 -2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.867 -2.408 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.651 -3.466 -1.589 1.00 0.00 H new ATOM 960 N VAL A 142 -6.487 1.892 -5.268 1.00 0.00 N ATOM 961 CA VAL A 142 -7.657 1.384 -5.963 1.00 0.00 C ATOM 962 C VAL A 142 -7.323 1.180 -7.438 1.00 0.00 C ATOM 963 O VAL A 142 -7.678 0.163 -8.028 1.00 0.00 O ATOM 964 CB VAL A 142 -8.817 2.378 -5.812 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.990 1.955 -6.698 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.274 2.419 -4.349 1.00 0.00 C ATOM 0 H VAL A 142 -6.620 2.802 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.954 0.428 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.476 3.367 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.808 2.667 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.670 1.934 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.329 0.962 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.098 3.125 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.606 1.427 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.444 2.734 -3.717 1.00 0.00 H new ATOM 976 N LYS A 143 -6.632 2.152 -8.027 1.00 0.00 N ATOM 977 CA LYS A 143 -6.250 2.059 -9.432 1.00 0.00 C ATOM 978 C LYS A 143 -5.314 0.870 -9.671 1.00 0.00 C ATOM 979 O LYS A 143 -5.488 0.125 -10.636 1.00 0.00 O ATOM 980 CB LYS A 143 -5.548 3.352 -9.864 1.00 0.00 C ATOM 981 CG LYS A 143 -6.559 4.501 -9.918 1.00 0.00 C ATOM 982 CD LYS A 143 -5.830 5.802 -10.266 1.00 0.00 C ATOM 983 CE LYS A 143 -6.813 6.974 -10.223 1.00 0.00 C ATOM 984 NZ LYS A 143 -7.818 6.825 -11.314 1.00 0.00 N ATOM 0 H LYS A 143 -6.328 3.005 -7.558 1.00 0.00 H new ATOM 0 HA LYS A 143 -7.155 1.912 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.748 3.593 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -5.086 3.216 -10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.326 4.290 -10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -7.065 4.600 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -5.015 5.973 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -5.384 5.726 -11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -7.314 7.006 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -6.276 7.916 -10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -8.332 7.721 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -7.334 6.578 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -8.491 6.072 -11.066 1.00 0.00 H new ATOM 998 N VAL A 144 -4.323 0.695 -8.794 1.00 0.00 N ATOM 999 CA VAL A 144 -3.376 -0.408 -8.932 1.00 0.00 C ATOM 1000 C VAL A 144 -4.033 -1.764 -8.663 1.00 0.00 C ATOM 1001 O VAL A 144 -3.824 -2.723 -9.404 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.222 -0.201 -7.949 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.258 -1.389 -8.019 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.478 1.094 -8.297 1.00 0.00 C ATOM 0 H VAL A 144 -4.158 1.298 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.012 -0.413 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.620 -0.127 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.439 -1.235 -7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.790 -2.305 -7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.858 -1.474 -9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.656 1.241 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.083 1.026 -9.311 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -2.165 1.937 -8.232 1.00 0.00 H new ATOM 1014 N MET A 145 -4.815 -1.834 -7.590 1.00 0.00 N ATOM 1015 CA MET A 145 -5.485 -3.077 -7.218 1.00 0.00 C ATOM 1016 C MET A 145 -6.582 -3.423 -8.213 1.00 0.00 C ATOM 1017 O MET A 145 -6.751 -4.579 -8.596 1.00 0.00 O ATOM 1018 CB MET A 145 -6.090 -2.939 -5.820 1.00 0.00 C ATOM 1019 CG MET A 145 -6.688 -4.278 -5.361 1.00 0.00 C ATOM 1020 SD MET A 145 -5.376 -5.521 -5.207 1.00 0.00 S ATOM 1021 CE MET A 145 -4.473 -4.747 -3.843 1.00 0.00 C ATOM 0 H MET A 145 -5.000 -1.049 -6.965 1.00 0.00 H new ATOM 0 HA MET A 145 -4.746 -3.879 -7.224 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.324 -2.615 -5.116 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.863 -2.171 -5.826 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.194 -4.151 -4.404 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.438 -4.615 -6.076 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.888 -5.503 -3.319 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.806 -3.980 -4.237 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.181 -4.291 -3.150 1.00 0.00 H new ATOM 1031 N MET A 146 -7.321 -2.407 -8.622 1.00 0.00 N ATOM 1032 CA MET A 146 -8.408 -2.604 -9.577 1.00 0.00 C ATOM 1033 C MET A 146 -7.867 -3.098 -10.915 1.00 0.00 C ATOM 1034 O MET A 146 -8.448 -3.985 -11.539 1.00 0.00 O ATOM 1035 CB MET A 146 -9.178 -1.295 -9.782 1.00 0.00 C ATOM 1036 CG MET A 146 -10.343 -1.524 -10.750 1.00 0.00 C ATOM 1037 SD MET A 146 -11.302 0.002 -10.914 1.00 0.00 S ATOM 1038 CE MET A 146 -10.341 0.736 -12.261 1.00 0.00 C ATOM 0 H MET A 146 -7.194 -1.443 -8.314 1.00 0.00 H new ATOM 0 HA MET A 146 -9.084 -3.358 -9.173 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.554 -0.930 -8.826 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.511 -0.528 -10.176 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.965 -1.834 -11.724 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.980 -2.329 -10.384 1.00 0.00 H new ATOM 0 HE1 MET A 146 -10.767 1.703 -12.527 1.00 0.00 H new ATOM 0 HE2 MET A 146 -9.308 0.871 -11.940 1.00 0.00 H new ATOM 0 HE3 MET A 146 -10.368 0.077 -13.129 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.752 -2.519 -11.352 1.00 0.00 N ATOM 1049 CA ALA A 147 -6.145 -2.909 -12.622 1.00 0.00 C ATOM 1050 C ALA A 147 -5.292 -4.162 -12.444 1.00 0.00 C ATOM 1051 O ALA A 147 -4.708 -4.666 -13.404 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.279 -1.770 -13.160 1.00 0.00 C ATOM 0 H ALA A 147 -6.253 -1.784 -10.851 1.00 0.00 H new ATOM 0 HA ALA A 147 -6.942 -3.124 -13.334 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.831 -2.070 -14.107 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.897 -0.885 -13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.491 -1.541 -12.442 1.00 0.00 H new ATOM 1058 N LYS A 148 -5.227 -4.657 -11.212 1.00 0.00 N ATOM 1059 CA LYS A 148 -4.445 -5.853 -10.918 1.00 0.00 C ATOM 1060 C LYS A 148 -2.993 -5.658 -11.343 1.00 0.00 C ATOM 1061 O LYS A 148 -2.528 -6.428 -12.168 1.00 0.00 O ATOM 1062 CB LYS A 148 -5.035 -7.057 -11.659 1.00 0.00 C ATOM 1063 CG LYS A 148 -6.518 -7.230 -11.297 1.00 0.00 C ATOM 1064 CD LYS A 148 -6.663 -7.684 -9.837 1.00 0.00 C ATOM 1065 CE LYS A 148 -8.073 -8.241 -9.614 1.00 0.00 C ATOM 1066 NZ LYS A 148 -9.073 -7.151 -9.807 1.00 0.00 N ATOM 1067 OXT LYS A 148 -2.366 -4.741 -10.838 1.00 0.00 O ATOM 0 H LYS A 148 -5.703 -4.252 -10.406 1.00 0.00 H new ATOM 0 HA LYS A 148 -4.479 -6.033 -9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -4.930 -6.918 -12.735 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -4.482 -7.960 -11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -7.048 -6.289 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -6.978 -7.963 -11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -5.919 -8.446 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -6.481 -6.846 -9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -8.268 -9.056 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -8.158 -8.654 -8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -10.002 -7.467 -9.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.775 -6.308 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -9.140 -6.917 -10.818 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.323 6.260 6.276 1.00 0.00 CA HETATM 1083 CA CA A 234 1.029 8.579 -5.592 1.00 0.00 CA