USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 THR OG1 : rot 134:sc= 1.26 USER MOD Set 1.2: A 25 HIS : no HD1:sc= 1.07 K(o=2.3,f=-4.7!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -169:sc= 1.03 (180deg=0) USER MOD Set 2.2: A 114 SER OG : rot -150:sc= 0.889 USER MOD Single : A 1 ARG N :NH3+ -116:sc= 0.407 (180deg=-0.581) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -164:sc= 0.063 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.71 K(o=-2.7,f=-0.09) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.051) USER MOD Single : A 21 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.02) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 49 SER OG : rot 27:sc= 0.217 USER MOD Single : A 53 THR OG1 : rot 23:sc= 1.19 USER MOD Single : A 55 GLN : amide:sc= 0.275 X(o=0.28,f=-0.13) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 1.01 (180deg=0.989) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.59 K(o=1.9,f=-6.2!) USER MOD Single : A 60 THR OG1 : rot -144:sc= 0.964 USER MOD Single : A 61 ASN : amide:sc= -0.0788 X(o=-0.079,f=-0.16) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -44:sc= 1.3 USER MOD Single : A 74 ASN : amide:sc=-0.00255 X(o=-0.0025,f=-0.0025) USER MOD Single : A 77 HIS : no HD1:sc= -0.0958 X(o=-0.096,f=-0.016) USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= -0.0265 (180deg=-0.734) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.19 K(o=-0.19,f=-4.7!) USER MOD Single : A 83 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 143:sc= 0.33 USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0432) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.82! X(o=-2.8!,f=-3) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.765 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.872 -6.787 17.411 1.00 0.00 N ATOM 2 CA ARG A 1 18.651 -6.450 16.183 1.00 0.00 C ATOM 3 C ARG A 1 18.566 -7.610 15.170 1.00 0.00 C ATOM 4 O ARG A 1 19.524 -8.380 15.046 1.00 0.00 O ATOM 5 CB ARG A 1 20.102 -6.052 16.569 1.00 0.00 C ATOM 6 CG ARG A 1 20.207 -4.634 17.175 1.00 0.00 C ATOM 7 CD ARG A 1 21.197 -4.521 18.344 1.00 0.00 C ATOM 8 NE ARG A 1 20.587 -4.906 19.633 1.00 0.00 N ATOM 9 CZ ARG A 1 21.209 -5.127 20.776 1.00 0.00 C ATOM 10 NH1 ARG A 1 22.505 -5.082 20.881 1.00 0.00 N ATOM 11 NH2 ARG A 1 20.529 -5.394 21.853 1.00 0.00 N ATOM 0 H1 ARG A 1 17.078 -6.122 17.512 1.00 0.00 H new ATOM 0 H2 ARG A 1 17.504 -7.757 17.333 1.00 0.00 H new ATOM 0 H3 ARG A 1 18.490 -6.717 18.244 1.00 0.00 H new ATOM 0 HA ARG A 1 18.221 -5.581 15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.491 -6.775 17.285 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.735 -6.109 15.683 1.00 0.00 H new ATOM 0 HG2 ARG A 1 20.506 -3.937 16.392 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.220 -4.324 17.518 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.061 -5.157 18.149 1.00 0.00 H new ATOM 0 HD3 ARG A 1 21.564 -3.497 18.409 1.00 0.00 H new ATOM 0 HE ARG A 1 19.573 -5.013 19.641 1.00 0.00 H new ATOM 0 HH11 ARG A 1 23.076 -4.870 20.063 1.00 0.00 H new ATOM 0 HH12 ARG A 1 22.950 -5.258 21.782 1.00 0.00 H new ATOM 0 HH21 ARG A 1 19.510 -5.433 21.816 1.00 0.00 H new ATOM 0 HH22 ARG A 1 21.015 -5.564 22.734 1.00 0.00 H new ATOM 27 N PRO A 2 17.400 -7.824 14.510 1.00 0.00 N ATOM 28 CA PRO A 2 17.095 -9.103 13.847 1.00 0.00 C ATOM 29 C PRO A 2 17.733 -9.267 12.449 1.00 0.00 C ATOM 30 O PRO A 2 18.408 -10.268 12.199 1.00 0.00 O ATOM 31 CB PRO A 2 15.566 -9.161 13.822 1.00 0.00 C ATOM 32 CG PRO A 2 15.147 -7.698 13.686 1.00 0.00 C ATOM 33 CD PRO A 2 16.193 -6.988 14.549 1.00 0.00 C ATOM 0 HA PRO A 2 17.533 -9.940 14.391 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.202 -9.760 12.987 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.168 -9.608 14.733 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.175 -7.360 12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.134 -7.528 14.050 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.400 -5.989 14.165 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.836 -6.869 15.572 1.00 0.00 H new ATOM 41 N CYS A 3 17.557 -8.285 11.557 1.00 0.00 N ATOM 42 CA CYS A 3 18.249 -8.151 10.264 1.00 0.00 C ATOM 43 C CYS A 3 18.876 -6.748 10.151 1.00 0.00 C ATOM 44 O CYS A 3 18.462 -5.818 10.849 1.00 0.00 O ATOM 45 CB CYS A 3 17.299 -8.416 9.073 1.00 0.00 C ATOM 46 SG CYS A 3 16.586 -10.087 8.923 1.00 0.00 S ATOM 0 H CYS A 3 16.897 -7.525 11.722 1.00 0.00 H new ATOM 0 HA CYS A 3 19.036 -8.904 10.224 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.477 -7.703 9.133 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.843 -8.198 8.154 1.00 0.00 H new ATOM 51 N LYS A 4 19.858 -6.580 9.257 1.00 0.00 N ATOM 52 CA LYS A 4 20.466 -5.281 8.919 1.00 0.00 C ATOM 53 C LYS A 4 19.675 -4.605 7.791 1.00 0.00 C ATOM 54 O LYS A 4 19.269 -5.270 6.836 1.00 0.00 O ATOM 55 CB LYS A 4 21.933 -5.484 8.493 1.00 0.00 C ATOM 56 CG LYS A 4 22.833 -6.171 9.540 1.00 0.00 C ATOM 57 CD LYS A 4 23.063 -5.377 10.836 1.00 0.00 C ATOM 58 CE LYS A 4 23.910 -4.120 10.591 1.00 0.00 C ATOM 59 NZ LYS A 4 24.216 -3.412 11.864 1.00 0.00 N ATOM 0 H LYS A 4 20.263 -7.358 8.736 1.00 0.00 H new ATOM 0 HA LYS A 4 20.439 -4.637 9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.950 -6.077 7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.362 -4.512 8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.392 -7.134 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.801 -6.376 9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.102 -5.090 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.560 -6.013 11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.840 -4.398 10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.378 -3.447 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.789 -2.568 11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.328 -3.126 12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.745 -4.047 12.496 1.00 0.00 H new ATOM 73 N TYR A 5 19.499 -3.287 7.879 1.00 0.00 N ATOM 74 CA TYR A 5 18.764 -2.466 6.905 1.00 0.00 C ATOM 75 C TYR A 5 19.465 -1.127 6.623 1.00 0.00 C ATOM 76 O TYR A 5 20.265 -0.635 7.424 1.00 0.00 O ATOM 77 CB TYR A 5 17.347 -2.177 7.427 1.00 0.00 C ATOM 78 CG TYR A 5 16.445 -3.368 7.704 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.466 -3.996 8.965 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.512 -3.788 6.737 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.552 -5.024 9.269 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.560 -4.772 7.058 1.00 0.00 C ATOM 83 CZ TYR A 5 14.593 -5.414 8.311 1.00 0.00 C ATOM 84 OH TYR A 5 13.719 -6.423 8.566 1.00 0.00 O ATOM 0 H TYR A 5 19.874 -2.739 8.653 1.00 0.00 H new ATOM 0 HA TYR A 5 18.725 -3.034 5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.439 -1.603 8.349 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.845 -1.537 6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.189 -3.687 9.705 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.527 -3.354 5.748 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.585 -5.512 10.232 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.799 -5.037 6.339 1.00 0.00 H new ATOM 0 HH TYR A 5 13.307 -6.719 7.727 1.00 0.00 H new ATOM 94 N LYS A 6 19.121 -0.522 5.482 1.00 0.00 N ATOM 95 CA LYS A 6 19.605 0.775 4.983 1.00 0.00 C ATOM 96 C LYS A 6 18.687 1.931 5.405 1.00 0.00 C ATOM 97 O LYS A 6 17.491 1.738 5.630 1.00 0.00 O ATOM 98 CB LYS A 6 19.680 0.695 3.449 1.00 0.00 C ATOM 99 CG LYS A 6 20.671 -0.383 2.962 1.00 0.00 C ATOM 100 CD LYS A 6 20.272 -0.992 1.614 1.00 0.00 C ATOM 101 CE LYS A 6 20.261 0.050 0.485 1.00 0.00 C ATOM 102 NZ LYS A 6 20.029 -0.580 -0.842 1.00 0.00 N ATOM 0 H LYS A 6 18.455 -0.950 4.839 1.00 0.00 H new ATOM 0 HA LYS A 6 20.587 0.977 5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.689 0.479 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.979 1.665 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.665 0.056 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.735 -1.175 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.966 -1.793 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.283 -1.442 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.483 0.788 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.211 0.584 0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.028 0.154 -1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.786 -1.266 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.111 -1.068 -0.839 1.00 0.00 H new ATOM 116 N LEU A 7 19.243 3.141 5.449 1.00 0.00 N ATOM 117 CA LEU A 7 18.565 4.396 5.794 1.00 0.00 C ATOM 118 C LEU A 7 17.972 5.069 4.542 1.00 0.00 C ATOM 119 O LEU A 7 18.716 5.531 3.673 1.00 0.00 O ATOM 120 CB LEU A 7 19.576 5.331 6.502 1.00 0.00 C ATOM 121 CG LEU A 7 19.561 5.319 8.043 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.265 5.910 8.604 1.00 0.00 C ATOM 123 CD2 LEU A 7 19.773 3.926 8.634 1.00 0.00 C ATOM 0 H LEU A 7 20.230 3.283 5.234 1.00 0.00 H new ATOM 0 HA LEU A 7 17.734 4.185 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.579 5.064 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.390 6.351 6.167 1.00 0.00 H new ATOM 0 HG LEU A 7 20.403 5.944 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.294 5.883 9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.161 6.942 8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.416 5.326 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.752 3.985 9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.980 3.261 8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.738 3.537 8.311 1.00 0.00 H new ATOM 135 N LYS A 8 16.635 5.146 4.458 1.00 0.00 N ATOM 136 CA LYS A 8 15.895 5.857 3.396 1.00 0.00 C ATOM 137 C LYS A 8 14.715 6.666 3.961 1.00 0.00 C ATOM 138 O LYS A 8 13.615 6.144 4.140 1.00 0.00 O ATOM 139 CB LYS A 8 15.488 4.843 2.305 1.00 0.00 C ATOM 140 CG LYS A 8 14.737 5.443 1.100 1.00 0.00 C ATOM 141 CD LYS A 8 15.531 6.532 0.358 1.00 0.00 C ATOM 142 CE LYS A 8 14.797 7.027 -0.899 1.00 0.00 C ATOM 143 NZ LYS A 8 14.847 6.042 -2.013 1.00 0.00 N ATOM 0 H LYS A 8 16.020 4.706 5.142 1.00 0.00 H new ATOM 0 HA LYS A 8 16.541 6.603 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.386 4.344 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.860 4.077 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.492 4.644 0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.793 5.865 1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.707 7.373 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.508 6.139 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.757 7.236 -0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.241 7.966 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.338 6.423 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.838 5.861 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.400 5.153 -1.711 1.00 0.00 H new ATOM 157 N LYS A 9 14.947 7.949 4.261 1.00 0.00 N ATOM 158 CA LYS A 9 13.933 8.899 4.763 1.00 0.00 C ATOM 159 C LYS A 9 13.584 9.938 3.691 1.00 0.00 C ATOM 160 O LYS A 9 14.480 10.474 3.034 1.00 0.00 O ATOM 161 CB LYS A 9 14.418 9.577 6.061 1.00 0.00 C ATOM 162 CG LYS A 9 14.884 8.615 7.172 1.00 0.00 C ATOM 163 CD LYS A 9 13.849 7.539 7.542 1.00 0.00 C ATOM 164 CE LYS A 9 14.385 6.651 8.672 1.00 0.00 C ATOM 165 NZ LYS A 9 13.631 5.372 8.758 1.00 0.00 N ATOM 0 H LYS A 9 15.869 8.372 4.160 1.00 0.00 H new ATOM 0 HA LYS A 9 13.025 8.342 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.241 10.248 5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.610 10.194 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.804 8.125 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.125 9.195 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.918 8.012 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.620 6.929 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.441 6.442 8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.313 7.183 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.886 4.877 9.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.610 5.570 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.869 4.773 7.942 1.00 0.00 H new ATOM 179 N SER A 10 12.291 10.221 3.533 1.00 0.00 N ATOM 180 CA SER A 10 11.725 11.094 2.488 1.00 0.00 C ATOM 181 C SER A 10 10.538 11.915 3.014 1.00 0.00 C ATOM 182 O SER A 10 10.042 11.679 4.117 1.00 0.00 O ATOM 183 CB SER A 10 11.276 10.240 1.290 1.00 0.00 C ATOM 184 OG SER A 10 12.373 9.570 0.688 1.00 0.00 O ATOM 0 H SER A 10 11.576 9.837 4.150 1.00 0.00 H new ATOM 0 HA SER A 10 12.502 11.793 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.538 9.509 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.787 10.876 0.552 1.00 0.00 H new ATOM 0 HG SER A 10 12.054 9.035 -0.069 1.00 0.00 H new ATOM 190 N THR A 11 10.042 12.874 2.223 1.00 0.00 N ATOM 191 CA THR A 11 8.848 13.666 2.574 1.00 0.00 C ATOM 192 C THR A 11 7.999 13.974 1.340 1.00 0.00 C ATOM 193 O THR A 11 8.387 14.796 0.509 1.00 0.00 O ATOM 194 CB THR A 11 9.198 14.965 3.321 1.00 0.00 C ATOM 195 OG1 THR A 11 10.174 14.765 4.326 1.00 0.00 O ATOM 196 CG2 THR A 11 7.942 15.484 4.015 1.00 0.00 C ATOM 0 H THR A 11 10.452 13.125 1.324 1.00 0.00 H new ATOM 0 HA THR A 11 8.262 13.048 3.254 1.00 0.00 H new ATOM 0 HB THR A 11 9.590 15.665 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.365 15.617 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.176 16.405 4.549 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.170 15.682 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.582 14.737 4.722 1.00 0.00 H new ATOM 204 N ASN A 12 6.867 13.277 1.184 1.00 0.00 N ATOM 205 CA ASN A 12 6.033 13.275 -0.032 1.00 0.00 C ATOM 206 C ASN A 12 4.685 12.544 0.152 1.00 0.00 C ATOM 207 O ASN A 12 4.458 11.892 1.168 1.00 0.00 O ATOM 208 CB ASN A 12 6.842 12.650 -1.193 1.00 0.00 C ATOM 209 CG ASN A 12 7.559 11.354 -0.853 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.741 11.187 -1.112 1.00 0.00 O ATOM 211 ND2 ASN A 12 6.901 10.389 -0.259 1.00 0.00 N ATOM 0 H ASN A 12 6.492 12.680 1.921 1.00 0.00 H new ATOM 0 HA ASN A 12 5.778 14.310 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.166 12.465 -2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.579 13.377 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.377 9.518 -0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.913 10.508 -0.034 1.00 0.00 H new ATOM 218 N LYS A 13 3.812 12.630 -0.859 1.00 0.00 N ATOM 219 CA LYS A 13 2.572 11.847 -1.048 1.00 0.00 C ATOM 220 C LYS A 13 2.800 10.336 -1.223 1.00 0.00 C ATOM 221 O LYS A 13 3.933 9.870 -1.366 1.00 0.00 O ATOM 222 CB LYS A 13 1.767 12.431 -2.228 1.00 0.00 C ATOM 223 CG LYS A 13 2.557 12.811 -3.487 1.00 0.00 C ATOM 224 CD LYS A 13 2.703 14.333 -3.619 1.00 0.00 C ATOM 225 CE LYS A 13 3.447 14.681 -4.914 1.00 0.00 C ATOM 226 NZ LYS A 13 3.561 16.151 -5.106 1.00 0.00 N ATOM 0 H LYS A 13 3.958 13.292 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 13 2.000 11.939 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.006 11.704 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.244 13.320 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.545 12.351 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.053 12.415 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.719 14.802 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.246 14.730 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.443 14.239 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.923 14.243 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.070 16.347 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.610 16.570 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.083 16.566 -4.308 1.00 0.00 H new ATOM 240 N PHE A 14 1.707 9.577 -1.260 1.00 0.00 N ATOM 241 CA PHE A 14 1.655 8.118 -1.422 1.00 0.00 C ATOM 242 C PHE A 14 0.458 7.689 -2.287 1.00 0.00 C ATOM 243 O PHE A 14 -0.596 8.329 -2.285 1.00 0.00 O ATOM 244 CB PHE A 14 1.618 7.438 -0.038 1.00 0.00 C ATOM 245 CG PHE A 14 0.624 8.028 0.953 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.753 7.744 0.853 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.080 8.886 1.973 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.669 8.359 1.728 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.164 9.481 2.858 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.212 9.254 2.712 1.00 0.00 C ATOM 0 H PHE A 14 0.776 9.984 -1.173 1.00 0.00 H new ATOM 0 HA PHE A 14 2.556 7.797 -1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.384 6.383 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.615 7.489 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.107 7.052 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.136 9.087 2.075 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.724 8.143 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.522 10.116 3.655 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.917 9.764 3.352 1.00 0.00 H new ATOM 260 N CYS A 15 0.617 6.604 -3.049 1.00 0.00 N ATOM 261 CA CYS A 15 -0.441 6.023 -3.879 1.00 0.00 C ATOM 262 C CYS A 15 -0.965 4.709 -3.284 1.00 0.00 C ATOM 263 O CYS A 15 -0.207 3.890 -2.758 1.00 0.00 O ATOM 264 CB CYS A 15 0.045 5.823 -5.320 1.00 0.00 C ATOM 265 SG CYS A 15 -1.304 5.403 -6.467 1.00 0.00 S ATOM 0 H CYS A 15 1.500 6.096 -3.107 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.273 6.727 -3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.537 6.733 -5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.793 5.030 -5.340 1.00 0.00 H new ATOM 270 N VAL A 16 -2.275 4.503 -3.408 1.00 0.00 N ATOM 271 CA VAL A 16 -3.046 3.384 -2.820 1.00 0.00 C ATOM 272 C VAL A 16 -4.235 2.982 -3.713 1.00 0.00 C ATOM 273 O VAL A 16 -4.444 3.589 -4.763 1.00 0.00 O ATOM 274 CB VAL A 16 -3.547 3.750 -1.405 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.435 3.847 -0.361 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.316 5.071 -1.375 1.00 0.00 C ATOM 0 H VAL A 16 -2.866 5.137 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.374 2.529 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.206 2.921 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.865 4.107 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.924 2.888 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.722 4.615 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.644 5.278 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.668 5.877 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.185 5.001 -2.029 1.00 0.00 H new ATOM 286 N THR A 17 -5.048 1.999 -3.302 1.00 0.00 N ATOM 287 CA THR A 17 -6.286 1.596 -4.007 1.00 0.00 C ATOM 288 C THR A 17 -7.492 1.592 -3.054 1.00 0.00 C ATOM 289 O THR A 17 -7.478 0.863 -2.061 1.00 0.00 O ATOM 290 CB THR A 17 -6.129 0.202 -4.636 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.816 -0.039 -5.108 1.00 0.00 O ATOM 292 CG2 THR A 17 -7.062 -0.027 -5.811 1.00 0.00 C ATOM 0 H THR A 17 -4.868 1.451 -2.461 1.00 0.00 H new ATOM 0 HA THR A 17 -6.462 2.327 -4.796 1.00 0.00 H new ATOM 0 HB THR A 17 -6.374 -0.480 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.521 -0.926 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.904 -1.028 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.096 0.072 -5.479 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.858 0.711 -6.587 1.00 0.00 H new ATOM 300 N CYS A 18 -8.530 2.400 -3.325 1.00 0.00 N ATOM 301 CA CYS A 18 -9.784 2.399 -2.562 1.00 0.00 C ATOM 302 C CYS A 18 -10.774 1.376 -3.119 1.00 0.00 C ATOM 303 O CYS A 18 -11.042 1.336 -4.319 1.00 0.00 O ATOM 304 CB CYS A 18 -10.438 3.789 -2.521 1.00 0.00 C ATOM 305 SG CYS A 18 -10.008 4.784 -1.076 1.00 0.00 S ATOM 0 H CYS A 18 -8.520 3.078 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.523 2.118 -1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.153 4.336 -3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.521 3.667 -2.552 1.00 0.00 H new ATOM 310 N GLU A 19 -11.362 0.587 -2.227 1.00 0.00 N ATOM 311 CA GLU A 19 -12.415 -0.380 -2.519 1.00 0.00 C ATOM 312 C GLU A 19 -13.484 -0.281 -1.423 1.00 0.00 C ATOM 313 O GLU A 19 -13.195 -0.486 -0.245 1.00 0.00 O ATOM 314 CB GLU A 19 -11.820 -1.795 -2.619 1.00 0.00 C ATOM 315 CG GLU A 19 -12.810 -2.756 -3.290 1.00 0.00 C ATOM 316 CD GLU A 19 -12.370 -4.225 -3.146 1.00 0.00 C ATOM 317 OE1 GLU A 19 -11.531 -4.701 -3.947 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.890 -4.922 -2.241 1.00 0.00 O ATOM 0 H GLU A 19 -11.108 0.604 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.881 -0.162 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.892 -1.765 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.570 -2.160 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.798 -2.628 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.900 -2.506 -4.347 1.00 0.00 H new ATOM 325 N ASN A 20 -14.711 0.077 -1.810 1.00 0.00 N ATOM 326 CA ASN A 20 -15.815 0.404 -0.894 1.00 0.00 C ATOM 327 C ASN A 20 -15.450 1.544 0.092 1.00 0.00 C ATOM 328 O ASN A 20 -15.585 1.422 1.312 1.00 0.00 O ATOM 329 CB ASN A 20 -16.369 -0.877 -0.226 1.00 0.00 C ATOM 330 CG ASN A 20 -17.126 -1.787 -1.180 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.343 -1.892 -1.132 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.451 -2.471 -2.077 1.00 0.00 N ATOM 0 H ASN A 20 -14.974 0.150 -2.793 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.638 0.817 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.541 -1.434 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.031 -0.592 0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.943 -3.084 -2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.435 -2.388 -2.123 1.00 0.00 H new ATOM 339 N GLN A 21 -15.030 2.688 -0.467 1.00 0.00 N ATOM 340 CA GLN A 21 -14.828 3.993 0.192 1.00 0.00 C ATOM 341 C GLN A 21 -13.702 4.025 1.245 1.00 0.00 C ATOM 342 O GLN A 21 -13.721 4.843 2.169 1.00 0.00 O ATOM 343 CB GLN A 21 -16.155 4.540 0.761 1.00 0.00 C ATOM 344 CG GLN A 21 -17.314 4.572 -0.244 1.00 0.00 C ATOM 345 CD GLN A 21 -18.286 3.412 -0.070 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.869 3.183 0.981 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.532 2.654 -1.111 1.00 0.00 N ATOM 0 H GLN A 21 -14.806 2.732 -1.461 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.480 4.658 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.448 3.930 1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.987 5.550 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.856 5.512 -0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.910 4.552 -1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.055 2.831 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.201 1.887 -1.037 1.00 0.00 H new ATOM 356 N ALA A 22 -12.717 3.132 1.124 1.00 0.00 N ATOM 357 CA ALA A 22 -11.631 2.963 2.073 1.00 0.00 C ATOM 358 C ALA A 22 -10.431 2.299 1.367 1.00 0.00 C ATOM 359 O ALA A 22 -10.615 1.342 0.607 1.00 0.00 O ATOM 360 CB ALA A 22 -12.154 2.119 3.240 1.00 0.00 C ATOM 0 H ALA A 22 -12.658 2.489 0.334 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.286 3.922 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.358 1.975 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.992 2.631 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.485 1.149 2.868 1.00 0.00 H new ATOM 366 N PRO A 23 -9.208 2.818 1.553 1.00 0.00 N ATOM 367 CA PRO A 23 -7.998 2.286 0.938 1.00 0.00 C ATOM 368 C PRO A 23 -7.517 1.002 1.624 1.00 0.00 C ATOM 369 O PRO A 23 -6.955 1.024 2.717 1.00 0.00 O ATOM 370 CB PRO A 23 -7.007 3.441 0.974 1.00 0.00 C ATOM 371 CG PRO A 23 -7.402 4.198 2.237 1.00 0.00 C ATOM 372 CD PRO A 23 -8.917 4.056 2.254 1.00 0.00 C ATOM 0 HA PRO A 23 -8.153 1.957 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.977 3.087 1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.087 4.069 0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.945 3.766 3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.094 5.243 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.295 4.025 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.394 4.904 1.764 1.00 0.00 H new ATOM 380 N VAL A 24 -7.747 -0.139 0.969 1.00 0.00 N ATOM 381 CA VAL A 24 -7.387 -1.482 1.446 1.00 0.00 C ATOM 382 C VAL A 24 -6.124 -2.020 0.763 1.00 0.00 C ATOM 383 O VAL A 24 -5.893 -3.223 0.804 1.00 0.00 O ATOM 384 CB VAL A 24 -8.570 -2.474 1.316 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.863 -1.929 1.935 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.910 -2.860 -0.127 1.00 0.00 C ATOM 0 H VAL A 24 -8.206 -0.156 0.058 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.157 -1.386 2.507 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.214 -3.353 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.660 -2.663 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.704 -1.733 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.145 -1.003 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.748 -3.557 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.180 -1.966 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.044 -3.333 -0.591 1.00 0.00 H new ATOM 396 N HIS A 25 -5.325 -1.190 0.076 1.00 0.00 N ATOM 397 CA HIS A 25 -4.177 -1.653 -0.727 1.00 0.00 C ATOM 398 C HIS A 25 -3.130 -0.558 -0.925 1.00 0.00 C ATOM 399 O HIS A 25 -3.493 0.594 -1.156 1.00 0.00 O ATOM 400 CB HIS A 25 -4.717 -2.055 -2.102 1.00 0.00 C ATOM 401 CG HIS A 25 -3.743 -2.776 -2.998 1.00 0.00 C ATOM 402 ND1 HIS A 25 -3.351 -2.349 -4.252 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.122 -3.964 -2.731 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.485 -3.261 -4.739 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.328 -4.249 -3.831 1.00 0.00 N ATOM 0 H HIS A 25 -5.454 -0.178 0.060 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.697 -2.481 -0.206 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.590 -2.691 -1.958 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.059 -1.156 -2.615 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -3.229 -4.563 -1.839 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.996 -3.210 -5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.727 -5.066 -3.937 1.00 0.00 H new ATOM 414 N PHE A 26 -1.846 -0.913 -0.909 1.00 0.00 N ATOM 415 CA PHE A 26 -0.732 0.003 -1.182 1.00 0.00 C ATOM 416 C PHE A 26 -0.259 -0.115 -2.641 1.00 0.00 C ATOM 417 O PHE A 26 -0.198 -1.220 -3.183 1.00 0.00 O ATOM 418 CB PHE A 26 0.403 -0.305 -0.189 1.00 0.00 C ATOM 419 CG PHE A 26 1.610 0.611 -0.274 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.457 2.008 -0.161 1.00 0.00 C ATOM 421 CD2 PHE A 26 2.897 0.064 -0.446 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.577 2.850 -0.258 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.017 0.907 -0.535 1.00 0.00 C ATOM 424 CZ PHE A 26 3.854 2.299 -0.451 1.00 0.00 C ATOM 0 H PHE A 26 -1.542 -1.864 -0.702 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.059 1.034 -1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.001 -0.255 0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.735 -1.331 -0.350 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.477 2.432 0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.023 -1.007 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.456 3.921 -0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.002 0.485 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.713 2.948 -0.535 1.00 0.00 H new ATOM 434 N VAL A 27 0.090 1.015 -3.270 1.00 0.00 N ATOM 435 CA VAL A 27 0.622 1.065 -4.651 1.00 0.00 C ATOM 436 C VAL A 27 2.065 1.583 -4.698 1.00 0.00 C ATOM 437 O VAL A 27 2.919 0.925 -5.295 1.00 0.00 O ATOM 438 CB VAL A 27 -0.286 1.894 -5.584 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.263 1.971 -7.013 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.702 1.326 -5.682 1.00 0.00 C ATOM 0 H VAL A 27 0.012 1.934 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 27 0.630 0.037 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.309 2.885 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.411 2.565 -7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.248 2.437 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.343 0.966 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.298 1.947 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.660 0.309 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.159 1.316 -4.693 1.00 0.00 H new ATOM 450 N GLY A 28 2.355 2.757 -4.123 1.00 0.00 N ATOM 451 CA GLY A 28 3.666 3.401 -4.277 1.00 0.00 C ATOM 452 C GLY A 28 3.839 4.712 -3.508 1.00 0.00 C ATOM 453 O GLY A 28 2.993 5.108 -2.707 1.00 0.00 O ATOM 0 H GLY A 28 1.698 3.281 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.437 2.703 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.837 3.594 -5.336 1.00 0.00 H new ATOM 457 N VAL A 29 4.964 5.386 -3.753 1.00 0.00 N ATOM 458 CA VAL A 29 5.434 6.581 -3.028 1.00 0.00 C ATOM 459 C VAL A 29 5.774 7.695 -4.019 1.00 0.00 C ATOM 460 O VAL A 29 6.581 7.489 -4.927 1.00 0.00 O ATOM 461 CB VAL A 29 6.662 6.240 -2.157 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.071 7.439 -1.302 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.386 5.077 -1.203 1.00 0.00 C ATOM 0 H VAL A 29 5.606 5.106 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 29 4.636 6.927 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 29 7.456 5.965 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.938 7.175 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.322 8.279 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.244 7.719 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.278 4.873 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.562 5.338 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.121 4.190 -1.778 1.00 0.00 H new ATOM 473 N GLY A 30 5.134 8.864 -3.888 1.00 0.00 N ATOM 474 CA GLY A 30 5.315 10.004 -4.804 1.00 0.00 C ATOM 475 C GLY A 30 4.808 9.796 -6.244 1.00 0.00 C ATOM 476 O GLY A 30 4.963 10.688 -7.079 1.00 0.00 O ATOM 0 H GLY A 30 4.469 9.050 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.805 10.870 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.377 10.248 -4.845 1.00 0.00 H new ATOM 480 N SER A 31 4.225 8.631 -6.544 1.00 0.00 N ATOM 481 CA SER A 31 3.731 8.179 -7.854 1.00 0.00 C ATOM 482 C SER A 31 2.893 6.896 -7.696 1.00 0.00 C ATOM 483 O SER A 31 2.963 6.226 -6.661 1.00 0.00 O ATOM 484 CB SER A 31 4.918 7.910 -8.791 1.00 0.00 C ATOM 485 OG SER A 31 4.461 7.718 -10.122 1.00 0.00 O ATOM 0 H SER A 31 4.073 7.924 -5.825 1.00 0.00 H new ATOM 0 HA SER A 31 3.102 8.960 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.615 8.747 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.463 7.027 -8.455 1.00 0.00 H new ATOM 0 HG SER A 31 5.227 7.549 -10.710 1.00 0.00 H new ATOM 491 N CYS A 32 2.120 6.533 -8.721 1.00 0.00 N ATOM 492 CA CYS A 32 1.353 5.290 -8.818 1.00 0.00 C ATOM 493 C CYS A 32 2.028 4.293 -9.780 1.00 0.00 C ATOM 494 O CYS A 32 2.073 4.511 -10.994 1.00 0.00 O ATOM 495 CB CYS A 32 -0.076 5.612 -9.267 1.00 0.00 C ATOM 496 SG CYS A 32 -1.057 6.593 -8.101 1.00 0.00 S ATOM 0 H CYS A 32 2.006 7.125 -9.544 1.00 0.00 H new ATOM 0 HA CYS A 32 1.319 4.815 -7.838 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.028 6.147 -10.215 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.599 4.674 -9.456 1.00 0.00 H new ATOM 501 N GLY A 33 2.552 3.190 -9.239 1.00 0.00 N ATOM 502 CA GLY A 33 3.224 2.120 -9.987 1.00 0.00 C ATOM 503 C GLY A 33 2.239 1.175 -10.682 1.00 0.00 C ATOM 504 O GLY A 33 1.942 0.096 -10.167 1.00 0.00 O ATOM 0 H GLY A 33 2.520 3.010 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.884 2.563 -10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.853 1.546 -9.306 1.00 0.00 H new ATOM 508 N SER A 34 1.717 1.583 -11.843 1.00 0.00 N ATOM 509 CA SER A 34 0.846 0.763 -12.701 1.00 0.00 C ATOM 510 C SER A 34 1.587 -0.468 -13.251 1.00 0.00 C ATOM 511 O SER A 34 2.606 -0.334 -13.937 1.00 0.00 O ATOM 512 CB SER A 34 0.298 1.608 -13.856 1.00 0.00 C ATOM 513 OG SER A 34 -0.675 0.868 -14.579 1.00 0.00 O ATOM 0 H SER A 34 1.890 2.513 -12.224 1.00 0.00 H new ATOM 0 HA SER A 34 0.017 0.406 -12.089 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.145 2.525 -13.468 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.111 1.902 -14.520 1.00 0.00 H new ATOM 0 HG SER A 34 -1.022 1.415 -15.314 1.00 0.00 H new ATOM 519 N GLY A 35 1.088 -1.673 -12.945 1.00 0.00 N ATOM 520 CA GLY A 35 1.698 -2.949 -13.346 1.00 0.00 C ATOM 521 C GLY A 35 3.048 -3.247 -12.669 1.00 0.00 C ATOM 522 O GLY A 35 3.443 -2.598 -11.696 1.00 0.00 O ATOM 0 H GLY A 35 0.233 -1.791 -12.402 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.004 -3.758 -13.117 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.840 -2.947 -14.427 1.00 0.00 H new ATOM 526 N GLY A 36 3.754 -4.261 -13.176 1.00 0.00 N ATOM 527 CA GLY A 36 5.095 -4.655 -12.723 1.00 0.00 C ATOM 528 C GLY A 36 5.459 -6.080 -13.150 1.00 0.00 C ATOM 529 O GLY A 36 5.830 -6.304 -14.305 1.00 0.00 O ATOM 0 H GLY A 36 3.402 -4.847 -13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.831 -3.959 -13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.146 -4.580 -11.637 1.00 0.00 H new ATOM 533 N SER A 37 5.314 -7.038 -12.230 1.00 0.00 N ATOM 534 CA SER A 37 5.613 -8.469 -12.419 1.00 0.00 C ATOM 535 C SER A 37 4.541 -9.358 -11.767 1.00 0.00 C ATOM 536 O SER A 37 3.834 -8.928 -10.853 1.00 0.00 O ATOM 537 CB SER A 37 6.992 -8.795 -11.821 1.00 0.00 C ATOM 538 OG SER A 37 8.028 -8.099 -12.501 1.00 0.00 O ATOM 0 H SER A 37 4.971 -6.834 -11.292 1.00 0.00 H new ATOM 0 HA SER A 37 5.617 -8.675 -13.489 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.005 -8.528 -10.764 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.172 -9.868 -11.881 1.00 0.00 H new ATOM 0 HG SER A 37 8.893 -8.324 -12.098 1.00 0.00 H new ATOM 544 N GLY A 38 4.439 -10.620 -12.199 1.00 0.00 N ATOM 545 CA GLY A 38 3.422 -11.596 -11.766 1.00 0.00 C ATOM 546 C GLY A 38 3.697 -12.263 -10.408 1.00 0.00 C ATOM 547 O GLY A 38 3.519 -13.474 -10.264 1.00 0.00 O ATOM 0 H GLY A 38 5.085 -11.008 -12.886 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.456 -11.094 -11.718 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.340 -12.373 -12.526 1.00 0.00 H new ATOM 551 N ILE A 39 4.171 -11.492 -9.426 1.00 0.00 N ATOM 552 CA ILE A 39 4.590 -11.953 -8.092 1.00 0.00 C ATOM 553 C ILE A 39 3.405 -11.925 -7.110 1.00 0.00 C ATOM 554 O ILE A 39 2.426 -11.201 -7.304 1.00 0.00 O ATOM 555 CB ILE A 39 5.785 -11.101 -7.588 1.00 0.00 C ATOM 556 CG1 ILE A 39 6.896 -10.940 -8.646 1.00 0.00 C ATOM 557 CG2 ILE A 39 6.425 -11.653 -6.300 1.00 0.00 C ATOM 558 CD1 ILE A 39 7.486 -12.236 -9.221 1.00 0.00 C ATOM 0 H ILE A 39 4.280 -10.484 -9.540 1.00 0.00 H new ATOM 0 HA ILE A 39 4.924 -12.988 -8.159 1.00 0.00 H new ATOM 0 HB ILE A 39 5.342 -10.128 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.498 -10.350 -9.472 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.708 -10.362 -8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.254 -11.011 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.680 -11.677 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.795 -12.662 -6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.256 -11.992 -9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.925 -12.825 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.697 -12.813 -9.703 1.00 0.00 H new ATOM 570 N PHE A 40 3.505 -12.718 -6.040 1.00 0.00 N ATOM 571 CA PHE A 40 2.437 -12.947 -5.050 1.00 0.00 C ATOM 572 C PHE A 40 2.925 -12.964 -3.585 1.00 0.00 C ATOM 573 O PHE A 40 2.158 -13.286 -2.675 1.00 0.00 O ATOM 574 CB PHE A 40 1.685 -14.235 -5.428 1.00 0.00 C ATOM 575 CG PHE A 40 2.453 -15.526 -5.198 1.00 0.00 C ATOM 576 CD1 PHE A 40 3.342 -16.011 -6.177 1.00 0.00 C ATOM 577 CD2 PHE A 40 2.275 -16.251 -4.003 1.00 0.00 C ATOM 578 CE1 PHE A 40 4.057 -17.202 -5.956 1.00 0.00 C ATOM 579 CE2 PHE A 40 2.989 -17.443 -3.782 1.00 0.00 C ATOM 580 CZ PHE A 40 3.881 -17.918 -4.759 1.00 0.00 C ATOM 0 H PHE A 40 4.357 -13.237 -5.828 1.00 0.00 H new ATOM 0 HA PHE A 40 1.758 -12.095 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.758 -14.276 -4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.408 -14.179 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.475 -15.467 -7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.587 -15.890 -3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.742 -17.567 -6.707 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.852 -17.993 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.431 -18.832 -4.590 1.00 0.00 H new ATOM 590 N LEU A 41 4.195 -12.613 -3.344 1.00 0.00 N ATOM 591 CA LEU A 41 4.832 -12.603 -2.018 1.00 0.00 C ATOM 592 C LEU A 41 4.452 -11.359 -1.190 1.00 0.00 C ATOM 593 O LEU A 41 4.709 -11.306 0.013 1.00 0.00 O ATOM 594 CB LEU A 41 6.366 -12.710 -2.182 1.00 0.00 C ATOM 595 CG LEU A 41 6.947 -14.120 -2.426 1.00 0.00 C ATOM 596 CD1 LEU A 41 6.665 -15.071 -1.262 1.00 0.00 C ATOM 597 CD2 LEU A 41 6.464 -14.785 -3.716 1.00 0.00 C ATOM 0 H LEU A 41 4.828 -12.319 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 41 4.463 -13.465 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.663 -12.072 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.832 -12.302 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 41 8.019 -13.944 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.093 -16.050 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.113 -14.674 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.588 -15.168 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.920 -15.771 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.379 -14.888 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.748 -14.171 -4.570 1.00 0.00 H new ATOM 609 N GLU A 42 3.821 -10.365 -1.822 1.00 0.00 N ATOM 610 CA GLU A 42 3.193 -9.222 -1.155 1.00 0.00 C ATOM 611 C GLU A 42 2.005 -9.645 -0.271 1.00 0.00 C ATOM 612 O GLU A 42 1.436 -10.730 -0.418 1.00 0.00 O ATOM 613 CB GLU A 42 2.714 -8.213 -2.217 1.00 0.00 C ATOM 614 CG GLU A 42 3.164 -6.791 -1.888 1.00 0.00 C ATOM 615 CD GLU A 42 2.649 -5.793 -2.942 1.00 0.00 C ATOM 616 OE1 GLU A 42 1.429 -5.497 -2.948 1.00 0.00 O ATOM 617 OE2 GLU A 42 3.459 -5.303 -3.768 1.00 0.00 O ATOM 0 H GLU A 42 3.731 -10.333 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 42 3.939 -8.765 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.102 -8.501 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.627 -8.244 -2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.795 -6.508 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.252 -6.751 -1.845 1.00 0.00 H new ATOM 624 N THR A 43 1.580 -8.748 0.618 1.00 0.00 N ATOM 625 CA THR A 43 0.429 -8.979 1.514 1.00 0.00 C ATOM 626 C THR A 43 -0.901 -9.033 0.747 1.00 0.00 C ATOM 627 O THR A 43 -1.794 -9.797 1.111 1.00 0.00 O ATOM 628 CB THR A 43 0.358 -7.893 2.598 1.00 0.00 C ATOM 629 OG1 THR A 43 1.604 -7.789 3.254 1.00 0.00 O ATOM 630 CG2 THR A 43 -0.694 -8.200 3.665 1.00 0.00 C ATOM 0 H THR A 43 2.020 -7.836 0.744 1.00 0.00 H new ATOM 0 HA THR A 43 0.584 -9.950 1.983 1.00 0.00 H new ATOM 0 HB THR A 43 0.090 -6.966 2.091 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.606 -6.995 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.703 -7.402 4.407 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.676 -8.272 3.198 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.453 -9.145 4.152 1.00 0.00 H new ATOM 638 N SER A 44 -1.025 -8.248 -0.335 1.00 0.00 N ATOM 639 CA SER A 44 -2.219 -8.125 -1.189 1.00 0.00 C ATOM 640 C SER A 44 -3.513 -7.906 -0.380 1.00 0.00 C ATOM 641 O SER A 44 -4.457 -8.698 -0.429 1.00 0.00 O ATOM 642 CB SER A 44 -2.284 -9.321 -2.153 1.00 0.00 C ATOM 643 OG SER A 44 -3.073 -9.004 -3.287 1.00 0.00 O ATOM 0 H SER A 44 -0.260 -7.654 -0.654 1.00 0.00 H new ATOM 0 HA SER A 44 -2.130 -7.220 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.278 -9.596 -2.469 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.705 -10.186 -1.640 1.00 0.00 H new ATOM 0 HG SER A 44 -3.103 -9.775 -3.891 1.00 0.00 H new ATOM 649 N LEU A 45 -3.551 -6.812 0.402 1.00 0.00 N ATOM 650 CA LEU A 45 -4.625 -6.516 1.374 1.00 0.00 C ATOM 651 C LEU A 45 -6.038 -6.366 0.761 1.00 0.00 C ATOM 652 O LEU A 45 -7.034 -6.408 1.485 1.00 0.00 O ATOM 653 CB LEU A 45 -4.288 -5.265 2.217 1.00 0.00 C ATOM 654 CG LEU A 45 -3.197 -5.455 3.283 1.00 0.00 C ATOM 655 CD1 LEU A 45 -1.839 -4.973 2.765 1.00 0.00 C ATOM 656 CD2 LEU A 45 -3.523 -4.631 4.526 1.00 0.00 C ATOM 0 H LEU A 45 -2.825 -6.096 0.378 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.664 -7.400 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.976 -4.468 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.198 -4.926 2.711 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.157 -6.518 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.083 -5.118 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.565 -5.543 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.901 -3.915 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.742 -4.775 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.579 -3.576 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.480 -4.953 4.935 1.00 0.00 H new ATOM 668 N SER A 46 -6.143 -6.245 -0.563 1.00 0.00 N ATOM 669 CA SER A 46 -7.394 -6.255 -1.337 1.00 0.00 C ATOM 670 C SER A 46 -8.238 -7.524 -1.164 1.00 0.00 C ATOM 671 O SER A 46 -9.468 -7.461 -1.228 1.00 0.00 O ATOM 672 CB SER A 46 -7.067 -6.075 -2.822 1.00 0.00 C ATOM 673 OG SER A 46 -5.980 -6.901 -3.210 1.00 0.00 O ATOM 0 H SER A 46 -5.322 -6.132 -1.157 1.00 0.00 H new ATOM 0 HA SER A 46 -7.995 -5.432 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.944 -6.317 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.823 -5.031 -3.020 1.00 0.00 H new ATOM 0 HG SER A 46 -5.792 -6.769 -4.163 1.00 0.00 H new ATOM 679 N ALA A 47 -7.594 -8.666 -0.914 1.00 0.00 N ATOM 680 CA ALA A 47 -8.219 -9.969 -0.676 1.00 0.00 C ATOM 681 C ALA A 47 -7.805 -10.564 0.686 1.00 0.00 C ATOM 682 O ALA A 47 -6.619 -10.751 0.967 1.00 0.00 O ATOM 683 CB ALA A 47 -7.878 -10.896 -1.849 1.00 0.00 C ATOM 0 H ALA A 47 -6.576 -8.710 -0.870 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.301 -9.850 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.336 -11.872 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.258 -10.466 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.796 -11.011 -1.920 1.00 0.00 H new ATOM 689 N GLY A 48 -8.788 -10.859 1.547 1.00 0.00 N ATOM 690 CA GLY A 48 -8.569 -11.435 2.885 1.00 0.00 C ATOM 691 C GLY A 48 -8.107 -10.434 3.956 1.00 0.00 C ATOM 692 O GLY A 48 -7.628 -10.843 5.015 1.00 0.00 O ATOM 0 H GLY A 48 -9.773 -10.703 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.496 -11.900 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.825 -12.228 2.805 1.00 0.00 H new ATOM 696 N SER A 49 -8.220 -9.129 3.689 1.00 0.00 N ATOM 697 CA SER A 49 -7.864 -8.013 4.575 1.00 0.00 C ATOM 698 C SER A 49 -8.731 -6.785 4.252 1.00 0.00 C ATOM 699 O SER A 49 -9.639 -6.835 3.416 1.00 0.00 O ATOM 700 CB SER A 49 -6.370 -7.687 4.420 1.00 0.00 C ATOM 701 OG SER A 49 -5.569 -8.570 5.186 1.00 0.00 O ATOM 0 H SER A 49 -8.585 -8.802 2.794 1.00 0.00 H new ATOM 0 HA SER A 49 -8.052 -8.297 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.088 -7.755 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.185 -6.660 4.734 1.00 0.00 H new ATOM 0 HG SER A 49 -6.039 -9.422 5.300 1.00 0.00 H new ATOM 707 N ASP A 50 -8.487 -5.686 4.962 1.00 0.00 N ATOM 708 CA ASP A 50 -9.299 -4.480 5.011 1.00 0.00 C ATOM 709 C ASP A 50 -8.429 -3.251 5.327 1.00 0.00 C ATOM 710 O ASP A 50 -7.293 -3.340 5.798 1.00 0.00 O ATOM 711 CB ASP A 50 -10.365 -4.662 6.111 1.00 0.00 C ATOM 712 CG ASP A 50 -11.554 -5.527 5.662 1.00 0.00 C ATOM 713 OD1 ASP A 50 -12.382 -5.033 4.858 1.00 0.00 O ATOM 714 OD2 ASP A 50 -11.700 -6.672 6.155 1.00 0.00 O ATOM 0 H ASP A 50 -7.661 -5.613 5.556 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.772 -4.318 4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.901 -5.118 6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.732 -3.683 6.419 1.00 0.00 H new ATOM 719 N TRP A 51 -9.016 -2.076 5.144 1.00 0.00 N ATOM 720 CA TRP A 51 -8.494 -0.768 5.555 1.00 0.00 C ATOM 721 C TRP A 51 -8.153 -0.717 7.058 1.00 0.00 C ATOM 722 O TRP A 51 -7.153 -0.118 7.464 1.00 0.00 O ATOM 723 CB TRP A 51 -9.520 0.302 5.156 1.00 0.00 C ATOM 724 CG TRP A 51 -9.604 1.493 6.055 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.616 1.746 6.913 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.639 2.570 6.229 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.349 2.916 7.599 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.151 3.474 7.205 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.376 2.865 5.678 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.461 4.635 7.583 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.673 4.022 6.052 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.216 4.914 6.993 1.00 0.00 C ATOM 0 H TRP A 51 -9.921 -2.000 4.679 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.550 -0.578 5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.284 0.647 4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.504 -0.165 5.110 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.495 1.132 7.043 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.962 3.317 8.309 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.941 2.190 4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.881 5.306 8.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.708 4.228 5.613 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.678 5.811 7.262 1.00 0.00 H new ATOM 743 N LEU A 52 -8.954 -1.382 7.896 1.00 0.00 N ATOM 744 CA LEU A 52 -8.758 -1.470 9.347 1.00 0.00 C ATOM 745 C LEU A 52 -7.469 -2.221 9.738 1.00 0.00 C ATOM 746 O LEU A 52 -6.880 -1.937 10.780 1.00 0.00 O ATOM 747 CB LEU A 52 -10.026 -2.085 9.972 1.00 0.00 C ATOM 748 CG LEU A 52 -10.549 -1.287 11.185 1.00 0.00 C ATOM 749 CD1 LEU A 52 -11.978 -1.706 11.516 1.00 0.00 C ATOM 750 CD2 LEU A 52 -9.698 -1.476 12.440 1.00 0.00 C ATOM 0 H LEU A 52 -9.780 -1.888 7.575 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.612 -0.467 9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.808 -2.138 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.812 -3.108 10.282 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.502 -0.237 10.896 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.335 -1.136 12.374 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.622 -1.513 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.000 -2.770 11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.118 -0.889 13.257 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.689 -2.530 12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.679 -1.144 12.242 1.00 0.00 H new ATOM 762 N THR A 53 -6.988 -3.138 8.895 1.00 0.00 N ATOM 763 CA THR A 53 -5.648 -3.754 8.998 1.00 0.00 C ATOM 764 C THR A 53 -4.556 -2.982 8.245 1.00 0.00 C ATOM 765 O THR A 53 -3.419 -2.942 8.710 1.00 0.00 O ATOM 766 CB THR A 53 -5.663 -5.225 8.536 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.424 -5.426 7.362 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.275 -6.123 9.610 1.00 0.00 C ATOM 0 H THR A 53 -7.526 -3.486 8.101 1.00 0.00 H new ATOM 0 HA THR A 53 -5.396 -3.712 10.058 1.00 0.00 H new ATOM 0 HB THR A 53 -4.620 -5.476 8.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.497 -4.581 6.871 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.276 -7.156 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.688 -6.048 10.525 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.299 -5.806 9.809 1.00 0.00 H new ATOM 776 N PHE A 54 -4.880 -2.312 7.132 1.00 0.00 N ATOM 777 CA PHE A 54 -3.953 -1.527 6.294 1.00 0.00 C ATOM 778 C PHE A 54 -3.209 -0.438 7.077 1.00 0.00 C ATOM 779 O PHE A 54 -2.008 -0.241 6.883 1.00 0.00 O ATOM 780 CB PHE A 54 -4.752 -0.909 5.135 1.00 0.00 C ATOM 781 CG PHE A 54 -3.997 0.083 4.274 1.00 0.00 C ATOM 782 CD1 PHE A 54 -4.017 1.451 4.610 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.292 -0.347 3.137 1.00 0.00 C ATOM 784 CE1 PHE A 54 -3.326 2.385 3.823 1.00 0.00 C ATOM 785 CE2 PHE A 54 -2.601 0.592 2.351 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.609 1.953 2.698 1.00 0.00 C ATOM 0 H PHE A 54 -5.834 -2.299 6.772 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.183 -2.201 5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.114 -1.715 4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.629 -0.411 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.567 1.783 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.281 -1.393 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.346 3.433 4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.061 0.265 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.063 2.667 2.099 1.00 0.00 H new ATOM 796 N GLN A 55 -3.910 0.230 7.994 1.00 0.00 N ATOM 797 CA GLN A 55 -3.334 1.187 8.942 1.00 0.00 C ATOM 798 C GLN A 55 -2.239 0.520 9.780 1.00 0.00 C ATOM 799 O GLN A 55 -1.062 0.850 9.640 1.00 0.00 O ATOM 800 CB GLN A 55 -4.445 1.755 9.837 1.00 0.00 C ATOM 801 CG GLN A 55 -5.399 2.663 9.053 1.00 0.00 C ATOM 802 CD GLN A 55 -6.737 2.765 9.767 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.963 3.591 10.641 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.655 1.887 9.437 1.00 0.00 N ATOM 0 H GLN A 55 -4.918 0.119 8.101 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.875 2.008 8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.008 0.935 10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.999 2.318 10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.961 3.655 8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.545 2.267 8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.464 1.199 8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.559 1.892 9.909 1.00 0.00 H new ATOM 813 N LYS A 56 -2.607 -0.461 10.616 1.00 0.00 N ATOM 814 CA LYS A 56 -1.631 -1.147 11.499 1.00 0.00 C ATOM 815 C LYS A 56 -0.498 -1.872 10.750 1.00 0.00 C ATOM 816 O LYS A 56 0.571 -2.077 11.328 1.00 0.00 O ATOM 817 CB LYS A 56 -2.323 -2.101 12.489 1.00 0.00 C ATOM 818 CG LYS A 56 -3.151 -1.368 13.564 1.00 0.00 C ATOM 819 CD LYS A 56 -4.668 -1.462 13.360 1.00 0.00 C ATOM 820 CE LYS A 56 -5.174 -2.888 13.618 1.00 0.00 C ATOM 821 NZ LYS A 56 -6.644 -2.978 13.434 1.00 0.00 N ATOM 0 H LYS A 56 -3.564 -0.801 10.705 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.156 -0.342 12.060 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.975 -2.777 11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.568 -2.716 12.978 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.901 -1.779 14.542 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.862 -0.317 13.576 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.172 -0.767 14.032 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.920 -1.162 12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.677 -3.581 12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.913 -3.192 14.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.944 -3.971 13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.121 -2.412 14.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.899 -2.615 12.493 1.00 0.00 H new ATOM 835 N LYS A 57 -0.692 -2.228 9.472 1.00 0.00 N ATOM 836 CA LYS A 57 0.309 -2.870 8.602 1.00 0.00 C ATOM 837 C LYS A 57 1.561 -2.005 8.372 1.00 0.00 C ATOM 838 O LYS A 57 2.670 -2.492 8.593 1.00 0.00 O ATOM 839 CB LYS A 57 -0.374 -3.276 7.280 1.00 0.00 C ATOM 840 CG LYS A 57 0.493 -4.112 6.322 1.00 0.00 C ATOM 841 CD LYS A 57 0.298 -5.626 6.478 1.00 0.00 C ATOM 842 CE LYS A 57 0.815 -6.193 7.807 1.00 0.00 C ATOM 843 NZ LYS A 57 0.690 -7.675 7.843 1.00 0.00 N ATOM 0 H LYS A 57 -1.581 -2.072 8.997 1.00 0.00 H new ATOM 0 HA LYS A 57 0.683 -3.761 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.276 -3.841 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.691 -2.371 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.262 -3.828 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.542 -3.870 6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.764 -5.856 6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.806 -6.133 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.858 -5.910 7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.254 -5.758 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.047 -8.031 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.309 -7.942 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.245 -8.089 7.067 1.00 0.00 H new ATOM 857 N HIS A 58 1.417 -0.761 7.892 1.00 0.00 N ATOM 858 CA HIS A 58 2.557 0.090 7.488 1.00 0.00 C ATOM 859 C HIS A 58 2.341 1.604 7.710 1.00 0.00 C ATOM 860 O HIS A 58 2.981 2.438 7.074 1.00 0.00 O ATOM 861 CB HIS A 58 2.927 -0.250 6.033 1.00 0.00 C ATOM 862 CG HIS A 58 1.969 0.333 5.033 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.210 1.470 4.292 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.684 -0.074 4.809 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.071 1.760 3.633 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.131 0.840 3.935 1.00 0.00 N ATOM 0 H HIS A 58 0.509 -0.312 7.771 1.00 0.00 H new ATOM 0 HA HIS A 58 3.394 -0.139 8.148 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.931 0.118 5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.954 -1.333 5.914 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.197 -0.940 5.232 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.932 2.598 2.967 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.824 0.823 3.578 1.00 0.00 H new ATOM 875 N ILE A 59 1.431 1.982 8.601 1.00 0.00 N ATOM 876 CA ILE A 59 1.113 3.383 8.949 1.00 0.00 C ATOM 877 C ILE A 59 1.153 3.559 10.471 1.00 0.00 C ATOM 878 O ILE A 59 0.821 2.643 11.227 1.00 0.00 O ATOM 879 CB ILE A 59 -0.247 3.835 8.346 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.306 3.495 6.835 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.495 5.337 8.592 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.364 4.240 6.015 1.00 0.00 C ATOM 0 H ILE A 59 0.871 1.309 9.124 1.00 0.00 H new ATOM 0 HA ILE A 59 1.870 4.031 8.507 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.044 3.288 8.850 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.672 3.700 6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.483 2.425 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.453 5.623 8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.508 5.533 9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.301 5.918 8.127 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.310 3.920 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.355 4.018 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.181 5.313 6.075 1.00 0.00 H new ATOM 894 N THR A 60 1.563 4.740 10.932 1.00 0.00 N ATOM 895 CA THR A 60 1.532 5.097 12.362 1.00 0.00 C ATOM 896 C THR A 60 1.268 6.586 12.617 1.00 0.00 C ATOM 897 O THR A 60 1.603 7.445 11.802 1.00 0.00 O ATOM 898 CB THR A 60 2.825 4.630 13.054 1.00 0.00 C ATOM 899 OG1 THR A 60 2.761 4.943 14.427 1.00 0.00 O ATOM 900 CG2 THR A 60 4.102 5.251 12.483 1.00 0.00 C ATOM 0 H THR A 60 1.927 5.480 10.331 1.00 0.00 H new ATOM 0 HA THR A 60 0.682 4.572 12.799 1.00 0.00 H new ATOM 0 HB THR A 60 2.884 3.556 12.879 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.653 5.193 14.748 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.967 4.869 13.026 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.193 4.992 11.428 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.058 6.335 12.587 1.00 0.00 H new ATOM 908 N ASN A 61 0.702 6.896 13.788 1.00 0.00 N ATOM 909 CA ASN A 61 0.577 8.238 14.356 1.00 0.00 C ATOM 910 C ASN A 61 1.839 8.689 15.135 1.00 0.00 C ATOM 911 O ASN A 61 1.863 9.792 15.683 1.00 0.00 O ATOM 912 CB ASN A 61 -0.694 8.262 15.225 1.00 0.00 C ATOM 913 CG ASN A 61 -0.641 7.324 16.422 1.00 0.00 C ATOM 914 OD1 ASN A 61 -0.004 7.591 17.430 1.00 0.00 O ATOM 915 ND2 ASN A 61 -1.304 6.191 16.352 1.00 0.00 N ATOM 0 H ASN A 61 0.299 6.181 14.394 1.00 0.00 H new ATOM 0 HA ASN A 61 0.489 8.965 13.549 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.860 9.279 15.580 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.551 7.997 14.606 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.285 5.540 17.137 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.837 5.963 15.513 1.00 0.00 H new ATOM 922 N THR A 62 2.882 7.852 15.195 1.00 0.00 N ATOM 923 CA THR A 62 4.192 8.126 15.811 1.00 0.00 C ATOM 924 C THR A 62 5.258 7.147 15.293 1.00 0.00 C ATOM 925 O THR A 62 5.257 5.964 15.642 1.00 0.00 O ATOM 926 CB THR A 62 4.092 8.120 17.354 1.00 0.00 C ATOM 927 OG1 THR A 62 5.354 8.373 17.937 1.00 0.00 O ATOM 928 CG2 THR A 62 3.514 6.851 17.992 1.00 0.00 C ATOM 0 H THR A 62 2.835 6.915 14.795 1.00 0.00 H new ATOM 0 HA THR A 62 4.507 9.127 15.517 1.00 0.00 H new ATOM 0 HB THR A 62 3.376 8.915 17.563 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.270 8.367 18.913 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.494 6.965 19.076 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.500 6.689 17.625 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.136 5.996 17.729 1.00 0.00 H new ATOM 936 N ARG A 63 6.169 7.599 14.417 1.00 0.00 N ATOM 937 CA ARG A 63 7.308 6.783 13.960 1.00 0.00 C ATOM 938 C ARG A 63 8.276 6.528 15.124 1.00 0.00 C ATOM 939 O ARG A 63 9.008 7.424 15.544 1.00 0.00 O ATOM 940 CB ARG A 63 8.031 7.438 12.770 1.00 0.00 C ATOM 941 CG ARG A 63 9.088 6.483 12.186 1.00 0.00 C ATOM 942 CD ARG A 63 10.271 7.237 11.580 1.00 0.00 C ATOM 943 NE ARG A 63 9.858 8.264 10.602 1.00 0.00 N ATOM 944 CZ ARG A 63 10.609 9.219 10.082 1.00 0.00 C ATOM 945 NH1 ARG A 63 11.826 9.443 10.486 1.00 0.00 N ATOM 946 NH2 ARG A 63 10.148 9.964 9.119 1.00 0.00 N ATOM 0 H ARG A 63 6.139 8.533 14.007 1.00 0.00 H new ATOM 0 HA ARG A 63 6.922 5.825 13.612 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.307 7.703 11.999 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.508 8.364 13.092 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.447 5.817 12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.628 5.857 11.422 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.841 7.712 12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.938 6.526 11.093 1.00 0.00 H new ATOM 0 HE ARG A 63 8.886 8.233 10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.230 8.872 11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.375 10.190 10.060 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.204 9.812 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.731 10.700 8.720 1.00 0.00 H new ATOM 960 N ASP A 64 8.300 5.290 15.607 1.00 0.00 N ATOM 961 CA ASP A 64 9.195 4.809 16.673 1.00 0.00 C ATOM 962 C ASP A 64 10.203 3.747 16.182 1.00 0.00 C ATOM 963 O ASP A 64 10.968 3.182 16.967 1.00 0.00 O ATOM 964 CB ASP A 64 8.322 4.309 17.838 1.00 0.00 C ATOM 965 CG ASP A 64 9.112 4.075 19.140 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.802 5.012 19.611 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.997 2.974 19.731 1.00 0.00 O ATOM 0 H ASP A 64 7.677 4.561 15.259 1.00 0.00 H new ATOM 0 HA ASP A 64 9.822 5.632 17.015 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.532 5.035 18.027 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.836 3.378 17.545 1.00 0.00 H new ATOM 972 N VAL A 65 10.213 3.461 14.874 1.00 0.00 N ATOM 973 CA VAL A 65 11.028 2.397 14.268 1.00 0.00 C ATOM 974 C VAL A 65 12.460 2.876 13.991 1.00 0.00 C ATOM 975 O VAL A 65 12.676 3.977 13.483 1.00 0.00 O ATOM 976 CB VAL A 65 10.351 1.860 12.991 1.00 0.00 C ATOM 977 CG1 VAL A 65 11.223 0.791 12.325 1.00 0.00 C ATOM 978 CG2 VAL A 65 8.995 1.225 13.329 1.00 0.00 C ATOM 0 H VAL A 65 9.647 3.970 14.195 1.00 0.00 H new ATOM 0 HA VAL A 65 11.100 1.576 14.981 1.00 0.00 H new ATOM 0 HB VAL A 65 10.213 2.703 12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.727 0.425 11.426 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.187 1.223 12.057 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.376 -0.037 13.017 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.531 0.851 12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.143 0.400 14.025 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.347 1.973 13.786 1.00 0.00 H new ATOM 988 N ASP A 66 13.436 2.011 14.284 1.00 0.00 N ATOM 989 CA ASP A 66 14.880 2.223 14.068 1.00 0.00 C ATOM 990 C ASP A 66 15.519 1.103 13.211 1.00 0.00 C ATOM 991 O ASP A 66 16.738 1.033 13.060 1.00 0.00 O ATOM 992 CB ASP A 66 15.559 2.369 15.442 1.00 0.00 C ATOM 993 CG ASP A 66 16.984 2.949 15.370 1.00 0.00 C ATOM 994 OD1 ASP A 66 17.180 4.015 14.738 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.902 2.374 16.005 1.00 0.00 O ATOM 0 H ASP A 66 13.237 1.100 14.698 1.00 0.00 H new ATOM 0 HA ASP A 66 15.028 3.137 13.493 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.946 3.012 16.074 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.598 1.392 15.924 1.00 0.00 H new ATOM 1000 N CYS A 67 14.683 0.221 12.644 1.00 0.00 N ATOM 1001 CA CYS A 67 15.038 -0.937 11.811 1.00 0.00 C ATOM 1002 C CYS A 67 16.089 -1.863 12.468 1.00 0.00 C ATOM 1003 O CYS A 67 17.045 -2.310 11.839 1.00 0.00 O ATOM 1004 CB CYS A 67 15.357 -0.451 10.388 1.00 0.00 C ATOM 1005 SG CYS A 67 14.043 0.609 9.710 1.00 0.00 S ATOM 0 H CYS A 67 13.673 0.303 12.763 1.00 0.00 H new ATOM 0 HA CYS A 67 14.183 -1.607 11.724 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.297 0.100 10.397 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.499 -1.312 9.735 1.00 0.00 H new ATOM 1010 N ASP A 68 15.883 -2.143 13.763 1.00 0.00 N ATOM 1011 CA ASP A 68 16.698 -3.014 14.626 1.00 0.00 C ATOM 1012 C ASP A 68 15.957 -3.503 15.895 1.00 0.00 C ATOM 1013 O ASP A 68 16.335 -4.531 16.454 1.00 0.00 O ATOM 1014 CB ASP A 68 18.004 -2.292 15.024 1.00 0.00 C ATOM 1015 CG ASP A 68 19.213 -2.735 14.177 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.414 -3.962 14.015 1.00 0.00 O ATOM 1017 OD2 ASP A 68 20.012 -1.866 13.750 1.00 0.00 O ATOM 0 H ASP A 68 15.093 -1.742 14.269 1.00 0.00 H new ATOM 0 HA ASP A 68 16.921 -3.904 14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.866 -1.216 14.917 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.214 -2.484 16.076 1.00 0.00 H new ATOM 1022 N ASN A 69 14.877 -2.837 16.334 1.00 0.00 N ATOM 1023 CA ASN A 69 14.029 -3.259 17.466 1.00 0.00 C ATOM 1024 C ASN A 69 12.660 -3.824 17.037 1.00 0.00 C ATOM 1025 O ASN A 69 11.889 -4.298 17.873 1.00 0.00 O ATOM 1026 CB ASN A 69 13.884 -2.128 18.490 1.00 0.00 C ATOM 1027 CG ASN A 69 13.058 -0.966 17.981 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.840 -0.939 18.047 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.716 0.022 17.431 1.00 0.00 N ATOM 0 H ASN A 69 14.560 -1.969 15.903 1.00 0.00 H new ATOM 0 HA ASN A 69 14.546 -4.092 17.943 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.424 -2.523 19.396 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.875 -1.768 18.767 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.211 0.823 17.053 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.734 -0.009 17.380 1.00 0.00 H new ATOM 1036 N ILE A 70 12.371 -3.836 15.729 1.00 0.00 N ATOM 1037 CA ILE A 70 11.110 -4.325 15.135 1.00 0.00 C ATOM 1038 C ILE A 70 10.803 -5.794 15.436 1.00 0.00 C ATOM 1039 O ILE A 70 9.654 -6.210 15.328 1.00 0.00 O ATOM 1040 CB ILE A 70 11.061 -4.037 13.621 1.00 0.00 C ATOM 1041 CG1 ILE A 70 12.166 -4.780 12.833 1.00 0.00 C ATOM 1042 CG2 ILE A 70 11.098 -2.512 13.438 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.364 -4.252 11.411 1.00 0.00 C ATOM 0 H ILE A 70 13.028 -3.495 15.027 1.00 0.00 H new ATOM 0 HA ILE A 70 10.316 -3.760 15.624 1.00 0.00 H new ATOM 0 HB ILE A 70 10.136 -4.428 13.197 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.107 -4.697 13.377 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.917 -5.840 12.787 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.065 -2.272 12.375 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.239 -2.065 13.938 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.017 -2.116 13.871 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.154 -4.820 10.919 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.436 -4.360 10.850 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.644 -3.199 11.449 1.00 0.00 H new ATOM 1055 N MET A 71 11.794 -6.537 15.934 1.00 0.00 N ATOM 1056 CA MET A 71 11.629 -7.852 16.581 1.00 0.00 C ATOM 1057 C MET A 71 10.566 -7.888 17.703 1.00 0.00 C ATOM 1058 O MET A 71 10.005 -8.948 17.979 1.00 0.00 O ATOM 1059 CB MET A 71 12.984 -8.340 17.121 1.00 0.00 C ATOM 1060 CG MET A 71 13.662 -7.348 18.084 1.00 0.00 C ATOM 1061 SD MET A 71 14.594 -8.113 19.437 1.00 0.00 S ATOM 1062 CE MET A 71 13.204 -8.552 20.527 1.00 0.00 C ATOM 0 H MET A 71 12.768 -6.235 15.900 1.00 0.00 H new ATOM 0 HA MET A 71 11.258 -8.522 15.805 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.839 -9.290 17.635 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.652 -8.531 16.281 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.337 -6.712 17.511 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.898 -6.698 18.511 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.585 -9.040 21.424 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.662 -7.649 20.807 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.531 -9.231 20.003 1.00 0.00 H new ATOM 1072 N SER A 72 10.273 -6.745 18.342 1.00 0.00 N ATOM 1073 CA SER A 72 9.257 -6.587 19.398 1.00 0.00 C ATOM 1074 C SER A 72 7.892 -6.087 18.873 1.00 0.00 C ATOM 1075 O SER A 72 6.875 -6.191 19.566 1.00 0.00 O ATOM 1076 CB SER A 72 9.817 -5.611 20.444 1.00 0.00 C ATOM 1077 OG SER A 72 9.068 -5.622 21.649 1.00 0.00 O ATOM 0 H SER A 72 10.755 -5.871 18.130 1.00 0.00 H new ATOM 0 HA SER A 72 9.060 -7.568 19.830 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.853 -5.870 20.661 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.821 -4.602 20.031 1.00 0.00 H new ATOM 0 HG SER A 72 9.461 -4.988 22.284 1.00 0.00 H new ATOM 1083 N THR A 73 7.846 -5.556 17.646 1.00 0.00 N ATOM 1084 CA THR A 73 6.641 -5.000 16.990 1.00 0.00 C ATOM 1085 C THR A 73 5.878 -6.062 16.181 1.00 0.00 C ATOM 1086 O THR A 73 6.248 -7.237 16.168 1.00 0.00 O ATOM 1087 CB THR A 73 6.993 -3.810 16.073 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.653 -4.252 14.908 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.849 -2.737 16.748 1.00 0.00 C ATOM 0 H THR A 73 8.675 -5.496 17.054 1.00 0.00 H new ATOM 0 HA THR A 73 5.993 -4.650 17.794 1.00 0.00 H new ATOM 0 HB THR A 73 6.036 -3.352 15.823 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.325 -4.923 15.148 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.053 -1.935 16.039 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.315 -2.333 17.608 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.790 -3.177 17.079 1.00 0.00 H new ATOM 1097 N ASN A 74 4.829 -5.658 15.453 1.00 0.00 N ATOM 1098 CA ASN A 74 4.155 -6.499 14.452 1.00 0.00 C ATOM 1099 C ASN A 74 5.062 -6.893 13.264 1.00 0.00 C ATOM 1100 O ASN A 74 4.788 -7.869 12.566 1.00 0.00 O ATOM 1101 CB ASN A 74 2.903 -5.764 13.931 1.00 0.00 C ATOM 1102 CG ASN A 74 1.947 -5.342 15.035 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.295 -6.154 15.674 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.836 -4.058 15.296 1.00 0.00 N ATOM 0 H ASN A 74 4.419 -4.728 15.542 1.00 0.00 H new ATOM 0 HA ASN A 74 3.882 -7.429 14.951 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.215 -4.881 13.374 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.375 -6.412 13.232 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.206 -3.740 16.032 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.380 -3.380 14.762 1.00 0.00 H new ATOM 1111 N LEU A 75 6.145 -6.143 13.025 1.00 0.00 N ATOM 1112 CA LEU A 75 7.017 -6.216 11.848 1.00 0.00 C ATOM 1113 C LEU A 75 8.249 -7.125 12.052 1.00 0.00 C ATOM 1114 O LEU A 75 9.227 -7.027 11.307 1.00 0.00 O ATOM 1115 CB LEU A 75 7.414 -4.779 11.446 1.00 0.00 C ATOM 1116 CG LEU A 75 6.295 -3.767 11.117 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.134 -4.385 10.339 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.753 -3.021 12.336 1.00 0.00 C ATOM 0 H LEU A 75 6.453 -5.429 13.685 1.00 0.00 H new ATOM 0 HA LEU A 75 6.463 -6.688 11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.010 -4.361 12.257 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.065 -4.847 10.575 1.00 0.00 H new ATOM 0 HG LEU A 75 6.792 -3.038 10.477 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.382 -3.621 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.502 -4.787 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.689 -5.188 10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.971 -2.330 12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.340 -3.737 13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.561 -2.464 12.810 1.00 0.00 H new ATOM 1130 N PHE A 76 8.196 -8.031 13.034 1.00 0.00 N ATOM 1131 CA PHE A 76 9.275 -8.922 13.494 1.00 0.00 C ATOM 1132 C PHE A 76 9.723 -9.966 12.462 1.00 0.00 C ATOM 1133 O PHE A 76 10.741 -10.634 12.641 1.00 0.00 O ATOM 1134 CB PHE A 76 8.823 -9.633 14.777 1.00 0.00 C ATOM 1135 CG PHE A 76 7.738 -10.687 14.600 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.378 -10.333 14.657 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.094 -12.035 14.396 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.380 -11.316 14.529 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.097 -13.019 14.261 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.740 -12.661 14.335 1.00 0.00 C ATOM 0 H PHE A 76 7.339 -8.174 13.568 1.00 0.00 H new ATOM 0 HA PHE A 76 10.143 -8.286 13.670 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.692 -10.106 15.234 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.463 -8.881 15.479 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.098 -9.300 14.800 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.136 -12.314 14.343 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.338 -11.038 14.580 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.375 -14.050 14.100 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.975 -13.418 14.243 1.00 0.00 H new ATOM 1150 N HIS A 77 8.966 -10.091 11.371 1.00 0.00 N ATOM 1151 CA HIS A 77 9.110 -11.062 10.281 1.00 0.00 C ATOM 1152 C HIS A 77 10.436 -10.979 9.491 1.00 0.00 C ATOM 1153 O HIS A 77 10.652 -11.789 8.590 1.00 0.00 O ATOM 1154 CB HIS A 77 7.886 -10.893 9.362 1.00 0.00 C ATOM 1155 CG HIS A 77 6.577 -11.173 10.064 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.127 -12.417 10.467 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.651 -10.239 10.444 1.00 0.00 C ATOM 1158 CE1 HIS A 77 4.943 -12.240 11.088 1.00 0.00 C ATOM 1159 NE2 HIS A 77 4.637 -10.924 11.091 1.00 0.00 N ATOM 0 H HIS A 77 8.174 -9.468 11.213 1.00 0.00 H new ATOM 0 HA HIS A 77 9.152 -12.058 10.721 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.871 -9.876 8.969 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.985 -11.563 8.508 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.702 -9.174 10.272 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.336 -13.025 11.515 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.801 -10.506 11.500 1.00 0.00 H new ATOM 1168 N CYS A 78 11.316 -10.014 9.798 1.00 0.00 N ATOM 1169 CA CYS A 78 12.606 -9.756 9.119 1.00 0.00 C ATOM 1170 C CYS A 78 12.487 -9.548 7.586 1.00 0.00 C ATOM 1171 O CYS A 78 13.429 -9.804 6.830 1.00 0.00 O ATOM 1172 CB CYS A 78 13.628 -10.838 9.528 1.00 0.00 C ATOM 1173 SG CYS A 78 15.137 -10.252 10.350 1.00 0.00 S ATOM 0 H CYS A 78 11.145 -9.359 10.561 1.00 0.00 H new ATOM 0 HA CYS A 78 12.978 -8.791 9.463 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.130 -11.545 10.191 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.918 -11.390 8.634 1.00 0.00 H new ATOM 1178 N LYS A 79 11.307 -9.102 7.125 1.00 0.00 N ATOM 1179 CA LYS A 79 10.947 -8.876 5.712 1.00 0.00 C ATOM 1180 C LYS A 79 11.868 -7.878 4.992 1.00 0.00 C ATOM 1181 O LYS A 79 12.547 -7.075 5.629 1.00 0.00 O ATOM 1182 CB LYS A 79 9.446 -8.531 5.595 1.00 0.00 C ATOM 1183 CG LYS A 79 8.897 -7.451 6.546 1.00 0.00 C ATOM 1184 CD LYS A 79 9.428 -6.030 6.286 1.00 0.00 C ATOM 1185 CE LYS A 79 10.466 -5.537 7.308 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.849 -5.168 8.611 1.00 0.00 N ATOM 0 H LYS A 79 10.539 -8.878 7.757 1.00 0.00 H new ATOM 0 HA LYS A 79 11.114 -9.810 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.252 -8.211 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.875 -9.446 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.810 -7.437 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.140 -7.732 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.874 -5.999 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.586 -5.337 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.211 -6.316 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.991 -4.673 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.314 -4.317 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.836 -4.976 8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.965 -5.952 9.284 1.00 0.00 H new ATOM 1200 N ASP A 80 11.858 -7.910 3.660 1.00 0.00 N ATOM 1201 CA ASP A 80 12.824 -7.230 2.782 1.00 0.00 C ATOM 1202 C ASP A 80 12.797 -5.696 2.878 1.00 0.00 C ATOM 1203 O ASP A 80 13.843 -5.055 2.761 1.00 0.00 O ATOM 1204 CB ASP A 80 12.576 -7.651 1.326 1.00 0.00 C ATOM 1205 CG ASP A 80 12.817 -9.153 1.105 1.00 0.00 C ATOM 1206 OD1 ASP A 80 13.966 -9.543 0.786 1.00 0.00 O ATOM 1207 OD2 ASP A 80 11.854 -9.945 1.248 1.00 0.00 O ATOM 0 H ASP A 80 11.152 -8.429 3.138 1.00 0.00 H new ATOM 0 HA ASP A 80 13.812 -7.540 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.551 -7.405 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.231 -7.079 0.668 1.00 0.00 H new ATOM 1212 N LYS A 81 11.615 -5.105 3.089 1.00 0.00 N ATOM 1213 CA LYS A 81 11.406 -3.661 3.292 1.00 0.00 C ATOM 1214 C LYS A 81 10.016 -3.345 3.857 1.00 0.00 C ATOM 1215 O LYS A 81 9.084 -4.131 3.692 1.00 0.00 O ATOM 1216 CB LYS A 81 11.640 -2.885 1.969 1.00 0.00 C ATOM 1217 CG LYS A 81 10.890 -3.496 0.781 1.00 0.00 C ATOM 1218 CD LYS A 81 10.954 -2.695 -0.528 1.00 0.00 C ATOM 1219 CE LYS A 81 10.225 -1.346 -0.421 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.018 -0.731 -1.759 1.00 0.00 N ATOM 0 H LYS A 81 10.745 -5.636 3.125 1.00 0.00 H new ATOM 0 HA LYS A 81 12.137 -3.335 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.323 -1.850 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.707 -2.866 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.290 -4.493 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.843 -3.619 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.996 -2.522 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.512 -3.282 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.261 -1.490 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.803 -0.668 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.524 0.178 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.939 -0.572 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.446 -1.368 -2.349 1.00 0.00 H new ATOM 1234 N ASN A 82 9.863 -2.177 4.482 1.00 0.00 N ATOM 1235 CA ASN A 82 8.571 -1.612 4.901 1.00 0.00 C ATOM 1236 C ASN A 82 8.555 -0.093 4.653 1.00 0.00 C ATOM 1237 O ASN A 82 9.470 0.612 5.083 1.00 0.00 O ATOM 1238 CB ASN A 82 8.308 -1.954 6.383 1.00 0.00 C ATOM 1239 CG ASN A 82 6.893 -1.611 6.849 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.308 -0.602 6.496 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.279 -2.448 7.655 1.00 0.00 N ATOM 0 H ASN A 82 10.654 -1.578 4.719 1.00 0.00 H new ATOM 0 HA ASN A 82 7.768 -2.051 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.485 -3.018 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.026 -1.418 7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.331 -2.247 7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.751 -3.299 7.963 1.00 0.00 H new ATOM 1248 N THR A 83 7.523 0.398 3.964 1.00 0.00 N ATOM 1249 CA THR A 83 7.244 1.828 3.783 1.00 0.00 C ATOM 1250 C THR A 83 6.305 2.337 4.884 1.00 0.00 C ATOM 1251 O THR A 83 5.078 2.245 4.753 1.00 0.00 O ATOM 1252 CB THR A 83 6.620 2.085 2.401 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.442 1.578 1.371 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.445 3.581 2.165 1.00 0.00 C ATOM 0 H THR A 83 6.839 -0.202 3.503 1.00 0.00 H new ATOM 0 HA THR A 83 8.188 2.370 3.849 1.00 0.00 H new ATOM 0 HB THR A 83 5.654 1.581 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.238 2.142 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.002 3.745 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.791 3.996 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.417 4.073 2.212 1.00 0.00 H new ATOM 1262 N PHE A 84 6.866 2.891 5.963 1.00 0.00 N ATOM 1263 CA PHE A 84 6.092 3.507 7.044 1.00 0.00 C ATOM 1264 C PHE A 84 5.641 4.924 6.665 1.00 0.00 C ATOM 1265 O PHE A 84 6.461 5.782 6.323 1.00 0.00 O ATOM 1266 CB PHE A 84 6.858 3.541 8.374 1.00 0.00 C ATOM 1267 CG PHE A 84 7.254 2.195 8.934 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.264 1.290 9.363 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.618 1.858 9.046 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.637 0.033 9.876 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.981 0.578 9.503 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.995 -0.330 9.935 1.00 0.00 C ATOM 0 H PHE A 84 7.875 2.925 6.111 1.00 0.00 H new ATOM 0 HA PHE A 84 5.213 2.878 7.186 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.760 4.137 8.238 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.244 4.056 9.113 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.220 1.560 9.299 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.379 2.577 8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.880 -0.653 10.225 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.022 0.290 9.523 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.280 -1.302 10.310 1.00 0.00 H new ATOM 1282 N ILE A 85 4.336 5.179 6.761 1.00 0.00 N ATOM 1283 CA ILE A 85 3.713 6.498 6.592 1.00 0.00 C ATOM 1284 C ILE A 85 3.441 7.077 7.985 1.00 0.00 C ATOM 1285 O ILE A 85 2.628 6.526 8.733 1.00 0.00 O ATOM 1286 CB ILE A 85 2.415 6.356 5.762 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.730 5.855 4.332 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.601 7.663 5.695 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.480 5.360 3.597 1.00 0.00 C ATOM 0 H ILE A 85 3.656 4.447 6.966 1.00 0.00 H new ATOM 0 HA ILE A 85 4.371 7.178 6.051 1.00 0.00 H new ATOM 0 HB ILE A 85 1.800 5.619 6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.189 6.662 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.460 5.047 4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.702 7.502 5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.319 7.968 6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.205 8.445 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.756 5.020 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.035 4.534 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.759 6.174 3.517 1.00 0.00 H new ATOM 1301 N TYR A 86 4.107 8.174 8.357 1.00 0.00 N ATOM 1302 CA TYR A 86 3.729 8.956 9.535 1.00 0.00 C ATOM 1303 C TYR A 86 2.623 9.964 9.169 1.00 0.00 C ATOM 1304 O TYR A 86 2.902 11.106 8.793 1.00 0.00 O ATOM 1305 CB TYR A 86 4.979 9.583 10.171 1.00 0.00 C ATOM 1306 CG TYR A 86 4.773 10.490 11.379 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.618 10.409 12.186 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.766 11.441 11.691 1.00 0.00 C ATOM 1309 CE1 TYR A 86 3.440 11.303 13.259 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.598 12.323 12.776 1.00 0.00 C ATOM 1311 CZ TYR A 86 4.429 12.262 13.561 1.00 0.00 C ATOM 1312 OH TYR A 86 4.261 13.125 14.602 1.00 0.00 O ATOM 0 H TYR A 86 4.915 8.541 7.855 1.00 0.00 H new ATOM 0 HA TYR A 86 3.297 8.312 10.301 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.647 8.775 10.467 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.495 10.158 9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.869 9.659 11.980 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.664 11.494 11.093 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.540 11.254 13.855 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.366 13.047 13.007 1.00 0.00 H new ATOM 0 HH TYR A 86 5.040 13.716 14.666 1.00 0.00 H new ATOM 1322 N SER A 87 1.358 9.526 9.247 1.00 0.00 N ATOM 1323 CA SER A 87 0.173 10.394 9.137 1.00 0.00 C ATOM 1324 C SER A 87 -1.050 9.848 9.898 1.00 0.00 C ATOM 1325 O SER A 87 -1.051 8.715 10.389 1.00 0.00 O ATOM 1326 CB SER A 87 -0.187 10.628 7.662 1.00 0.00 C ATOM 1327 OG SER A 87 -1.017 11.774 7.555 1.00 0.00 O ATOM 0 H SER A 87 1.124 8.544 9.391 1.00 0.00 H new ATOM 0 HA SER A 87 0.441 11.341 9.605 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.719 10.766 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.700 9.755 7.259 1.00 0.00 H new ATOM 0 HG SER A 87 -0.784 12.272 6.744 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.104 10.667 9.995 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.429 10.344 10.553 1.00 0.00 C ATOM 1335 C ARG A 88 -4.258 9.514 9.553 1.00 0.00 C ATOM 1336 O ARG A 88 -3.946 9.523 8.362 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.143 11.667 10.903 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.383 12.465 11.980 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.179 13.682 12.467 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.317 13.292 13.326 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.291 14.071 13.764 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -6.370 15.331 13.442 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -7.216 13.592 14.546 1.00 0.00 N ATOM 0 H ARG A 88 -2.055 11.632 9.667 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.315 9.740 11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.242 12.275 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.152 11.452 11.255 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.164 11.814 12.826 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.426 12.796 11.577 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.519 14.349 13.021 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.549 14.241 11.607 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.355 12.314 13.612 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.666 15.747 12.833 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.136 15.902 13.799 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.191 12.611 14.824 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.965 14.198 14.881 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.349 8.845 9.975 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.218 8.101 9.056 1.00 0.00 C ATOM 1359 C PRO A 89 -7.076 8.987 8.134 1.00 0.00 C ATOM 1360 O PRO A 89 -7.478 8.537 7.062 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.093 7.222 9.957 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.139 7.981 11.281 1.00 0.00 C ATOM 1363 CD PRO A 89 -5.750 8.610 11.358 1.00 0.00 C ATOM 0 HA PRO A 89 -5.611 7.524 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.090 7.089 9.538 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.665 6.227 10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.926 8.735 11.288 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.329 7.315 12.123 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.772 9.542 11.923 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.047 7.947 11.863 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.346 10.242 8.508 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.199 11.176 7.751 1.00 0.00 C ATOM 1373 C GLU A 90 -7.674 11.462 6.327 1.00 0.00 C ATOM 1374 O GLU A 90 -8.393 11.159 5.370 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.423 12.472 8.558 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.490 12.332 9.653 1.00 0.00 C ATOM 1377 CD GLU A 90 -10.917 12.334 9.070 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -11.503 13.432 8.896 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -11.464 11.239 8.790 1.00 0.00 O ATOM 0 H GLU A 90 -6.971 10.650 9.364 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.163 10.688 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.481 12.774 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.716 13.270 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.325 11.406 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.388 13.150 10.366 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.438 11.972 6.133 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.886 12.259 4.800 1.00 0.00 C ATOM 1388 C PRO A 91 -5.557 11.018 3.958 1.00 0.00 C ATOM 1389 O PRO A 91 -5.110 11.157 2.823 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.619 13.084 5.052 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.158 12.625 6.431 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.471 12.352 7.158 1.00 0.00 C ATOM 0 HA PRO A 91 -6.638 12.784 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.860 12.895 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.828 14.154 5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.536 11.732 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.569 13.391 6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.350 11.556 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.806 13.237 7.700 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.776 9.815 4.494 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.601 8.518 3.824 1.00 0.00 C ATOM 1402 C VAL A 92 -6.962 7.993 3.361 1.00 0.00 C ATOM 1403 O VAL A 92 -7.158 7.741 2.174 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.882 7.523 4.761 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.502 6.239 4.019 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.593 8.085 5.382 1.00 0.00 C ATOM 0 H VAL A 92 -6.097 9.711 5.457 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.971 8.640 2.943 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.601 7.325 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.998 5.558 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.403 5.763 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.835 6.481 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.142 7.332 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.893 8.350 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.829 8.972 5.969 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.939 7.869 4.267 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.282 7.360 3.942 1.00 0.00 C ATOM 1418 C LYS A 93 -10.069 8.296 3.016 1.00 0.00 C ATOM 1419 O LYS A 93 -10.687 7.839 2.057 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.082 7.061 5.225 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.944 5.794 5.047 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.294 5.790 5.781 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.201 5.689 7.306 1.00 0.00 C ATOM 1424 NZ LYS A 93 -11.962 6.993 7.980 1.00 0.00 N ATOM 0 H LYS A 93 -7.823 8.119 5.249 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.135 6.430 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.398 6.927 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.721 7.910 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.131 5.652 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.366 4.934 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.833 6.702 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.889 4.954 5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.125 5.256 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.396 5.003 7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.028 6.869 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.014 7.342 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.676 7.681 7.668 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.034 9.602 3.292 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.843 10.616 2.609 1.00 0.00 C ATOM 1440 C ALA A 94 -10.360 10.972 1.190 1.00 0.00 C ATOM 1441 O ALA A 94 -11.028 11.738 0.490 1.00 0.00 O ATOM 1442 CB ALA A 94 -10.895 11.868 3.485 1.00 0.00 C ATOM 0 H ALA A 94 -9.428 9.993 4.013 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.836 10.188 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.494 12.633 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.344 11.621 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.884 12.244 3.643 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.224 10.413 0.744 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.756 10.512 -0.650 1.00 0.00 C ATOM 1450 C ILE A 95 -9.859 10.055 -1.629 1.00 0.00 C ATOM 1451 O ILE A 95 -10.032 10.659 -2.690 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.453 9.702 -0.870 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.338 10.108 0.117 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.919 9.898 -2.300 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.126 9.164 0.108 1.00 0.00 C ATOM 0 H ILE A 95 -8.599 9.875 1.344 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.530 11.559 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.715 8.657 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.002 11.117 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.753 10.142 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.004 9.319 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.667 9.560 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.707 10.954 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.386 9.515 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.446 8.158 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.685 9.148 -0.889 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.645 9.041 -1.245 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.799 8.553 -2.002 1.00 0.00 C ATOM 1469 C CYS A 96 -13.145 8.869 -1.321 1.00 0.00 C ATOM 1470 O CYS A 96 -13.220 9.098 -0.111 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.623 7.053 -2.246 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.625 5.980 -0.789 1.00 0.00 S ATOM 0 H CYS A 96 -10.490 8.527 -0.378 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.835 9.080 -2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.420 6.722 -2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.682 6.904 -2.776 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.225 8.857 -2.119 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.609 9.123 -1.693 1.00 0.00 C ATOM 1479 C LYS A 97 -16.609 8.475 -2.662 1.00 0.00 C ATOM 1480 O LYS A 97 -16.781 8.940 -3.788 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.822 10.651 -1.576 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.091 11.051 -0.803 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.971 10.787 0.708 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.180 11.371 1.450 1.00 0.00 C ATOM 1485 NZ LYS A 97 -18.072 11.168 2.918 1.00 0.00 N ATOM 0 H LYS A 97 -14.156 8.654 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.784 8.677 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.955 11.091 -1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.870 11.078 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.294 12.109 -0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.943 10.497 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.906 9.715 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.052 11.232 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.260 12.437 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.093 10.902 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.906 11.575 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.021 10.150 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.213 11.637 3.271 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.209 7.354 -2.255 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.170 6.585 -3.066 1.00 0.00 C ATOM 1501 C GLY A 98 -17.537 5.567 -4.027 1.00 0.00 C ATOM 1502 O GLY A 98 -18.255 4.923 -4.791 1.00 0.00 O ATOM 0 H GLY A 98 -17.041 6.944 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.848 6.057 -2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.774 7.283 -3.646 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.208 5.404 -4.002 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.462 4.492 -4.885 1.00 0.00 C ATOM 1508 C ILE A 99 -15.654 3.028 -4.460 1.00 0.00 C ATOM 1509 O ILE A 99 -15.216 2.611 -3.386 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.966 4.886 -4.975 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.837 6.322 -5.543 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.216 3.871 -5.859 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.400 6.818 -5.767 1.00 0.00 C ATOM 0 H ILE A 99 -15.606 5.913 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.872 4.589 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.520 4.871 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.371 6.368 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.338 7.010 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -12.164 4.150 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.302 2.876 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.650 3.869 -6.859 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.423 7.832 -6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.861 6.813 -4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.895 6.161 -6.475 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.289 2.241 -5.332 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.450 0.774 -5.236 1.00 0.00 C ATOM 1527 C ILE A 100 -15.572 0.052 -6.290 1.00 0.00 C ATOM 1528 O ILE A 100 -15.299 -1.142 -6.187 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.954 0.386 -5.351 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.865 1.356 -4.555 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -18.189 -1.043 -4.831 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.356 1.000 -4.504 1.00 0.00 C ATOM 0 H ILE A 100 -16.730 2.622 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.103 0.443 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.212 0.448 -6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.492 1.414 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.766 2.351 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -19.246 -1.294 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.598 -1.746 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.889 -1.103 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.889 1.750 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.759 0.974 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.481 0.022 -4.039 1.00 0.00 H new ATOM 1544 N ALA A 101 -15.059 0.796 -7.277 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.376 0.331 -8.491 1.00 0.00 C ATOM 1546 C ALA A 101 -12.948 -0.241 -8.302 1.00 0.00 C ATOM 1547 O ALA A 101 -12.279 -0.536 -9.295 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.366 1.514 -9.474 1.00 0.00 C ATOM 0 H ALA A 101 -15.114 1.814 -7.246 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.932 -0.530 -8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.867 1.217 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.391 1.811 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.833 2.354 -9.027 1.00 0.00 H new ATOM 1554 N SER A 102 -12.461 -0.392 -7.062 1.00 0.00 N ATOM 1555 CA SER A 102 -11.073 -0.761 -6.726 1.00 0.00 C ATOM 1556 C SER A 102 -10.027 0.130 -7.433 1.00 0.00 C ATOM 1557 O SER A 102 -9.255 -0.327 -8.281 1.00 0.00 O ATOM 1558 CB SER A 102 -10.850 -2.263 -6.962 1.00 0.00 C ATOM 1559 OG SER A 102 -9.593 -2.679 -6.451 1.00 0.00 O ATOM 0 H SER A 102 -13.041 -0.256 -6.234 1.00 0.00 H new ATOM 0 HA SER A 102 -10.922 -0.570 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.647 -2.832 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.902 -2.478 -8.029 1.00 0.00 H new ATOM 0 HG SER A 102 -9.476 -3.639 -6.612 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.998 1.426 -7.080 1.00 0.00 N ATOM 1566 CA LYS A 103 -9.063 2.452 -7.595 1.00 0.00 C ATOM 1567 C LYS A 103 -8.889 3.596 -6.588 1.00 0.00 C ATOM 1568 O LYS A 103 -9.751 3.804 -5.743 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.611 2.955 -8.945 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.656 3.907 -9.688 1.00 0.00 C ATOM 1571 CD LYS A 103 -9.039 4.116 -11.161 1.00 0.00 C ATOM 1572 CE LYS A 103 -8.695 2.888 -12.018 1.00 0.00 C ATOM 1573 NZ LYS A 103 -9.024 3.109 -13.450 1.00 0.00 N ATOM 0 H LYS A 103 -10.653 1.809 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.072 2.022 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.823 2.097 -9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.558 3.466 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.647 4.872 -9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.642 3.509 -9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.107 4.323 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.518 4.990 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.634 2.661 -11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.242 2.021 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.778 2.260 -13.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.041 3.301 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.483 3.921 -13.809 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.791 4.346 -6.642 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.659 5.653 -5.989 1.00 0.00 C ATOM 1589 C ASN A 104 -6.853 6.644 -6.851 1.00 0.00 C ATOM 1590 O ASN A 104 -6.533 6.363 -8.009 1.00 0.00 O ATOM 1591 CB ASN A 104 -7.019 5.453 -4.602 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.608 6.348 -3.523 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.274 7.333 -3.788 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.366 6.025 -2.276 1.00 0.00 N ATOM 0 H ASN A 104 -6.952 4.061 -7.148 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.649 6.093 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.138 4.412 -4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.948 5.643 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.736 6.600 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.807 5.199 -2.062 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.497 7.794 -6.274 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.592 8.800 -6.847 1.00 0.00 C ATOM 1603 C VAL A 105 -4.462 9.068 -5.847 1.00 0.00 C ATOM 1604 O VAL A 105 -4.693 9.093 -4.638 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.363 10.099 -7.184 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.494 11.093 -7.964 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.612 9.834 -8.038 1.00 0.00 C ATOM 0 H VAL A 105 -6.846 8.064 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.166 8.428 -7.779 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.650 10.514 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -6.073 11.991 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.621 11.359 -7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.169 10.637 -8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.117 10.777 -8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.318 9.364 -8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.289 9.172 -7.497 1.00 0.00 H new ATOM 1617 N LEU A 106 -3.237 9.273 -6.338 1.00 0.00 N ATOM 1618 CA LEU A 106 -2.096 9.760 -5.554 1.00 0.00 C ATOM 1619 C LEU A 106 -2.454 11.021 -4.735 1.00 0.00 C ATOM 1620 O LEU A 106 -3.155 11.912 -5.225 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.940 10.044 -6.539 1.00 0.00 C ATOM 1622 CG LEU A 106 0.384 10.517 -5.910 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.089 9.383 -5.181 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.309 11.071 -6.990 1.00 0.00 C ATOM 0 H LEU A 106 -3.004 9.101 -7.316 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.800 9.004 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.744 9.136 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.272 10.801 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 106 0.146 11.298 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.020 9.751 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.445 9.005 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.308 8.579 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.242 11.403 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.520 10.292 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.827 11.914 -7.485 1.00 0.00 H new ATOM 1636 N THR A 107 -1.949 11.116 -3.502 1.00 0.00 N ATOM 1637 CA THR A 107 -2.078 12.331 -2.666 1.00 0.00 C ATOM 1638 C THR A 107 -1.389 13.571 -3.272 1.00 0.00 C ATOM 1639 O THR A 107 -0.657 13.488 -4.259 1.00 0.00 O ATOM 1640 CB THR A 107 -1.567 12.118 -1.222 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.876 10.908 -1.038 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.719 12.121 -0.222 1.00 0.00 C ATOM 0 H THR A 107 -1.438 10.359 -3.048 1.00 0.00 H new ATOM 0 HA THR A 107 -3.151 12.523 -2.636 1.00 0.00 H new ATOM 0 HB THR A 107 -0.883 12.949 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.581 10.838 -0.106 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.328 11.969 0.784 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.239 13.078 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.415 11.318 -0.466 1.00 0.00 H new ATOM 1650 N THR A 108 -1.590 14.738 -2.652 1.00 0.00 N ATOM 1651 CA THR A 108 -1.010 16.034 -3.076 1.00 0.00 C ATOM 1652 C THR A 108 -0.077 16.662 -2.024 1.00 0.00 C ATOM 1653 O THR A 108 0.908 17.315 -2.377 1.00 0.00 O ATOM 1654 CB THR A 108 -2.130 16.998 -3.516 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.598 18.159 -4.120 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.049 17.459 -2.379 1.00 0.00 C ATOM 0 H THR A 108 -2.174 14.819 -1.820 1.00 0.00 H new ATOM 0 HA THR A 108 -0.368 15.835 -3.934 1.00 0.00 H new ATOM 0 HB THR A 108 -2.722 16.414 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.330 18.752 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.808 18.134 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.533 16.593 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.460 17.979 -1.623 1.00 0.00 H new ATOM 1664 N SER A 109 -0.334 16.414 -0.736 1.00 0.00 N ATOM 1665 CA SER A 109 0.472 16.875 0.408 1.00 0.00 C ATOM 1666 C SER A 109 1.755 16.052 0.591 1.00 0.00 C ATOM 1667 O SER A 109 1.947 15.019 -0.052 1.00 0.00 O ATOM 1668 CB SER A 109 -0.370 16.805 1.690 1.00 0.00 C ATOM 1669 OG SER A 109 -1.580 17.538 1.551 1.00 0.00 O ATOM 0 H SER A 109 -1.142 15.864 -0.446 1.00 0.00 H new ATOM 0 HA SER A 109 0.771 17.903 0.204 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.597 15.765 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.204 17.201 2.527 1.00 0.00 H new ATOM 0 HG SER A 109 -2.098 17.475 2.381 1.00 0.00 H new ATOM 1675 N GLU A 110 2.644 16.489 1.486 1.00 0.00 N ATOM 1676 CA GLU A 110 3.949 15.860 1.737 1.00 0.00 C ATOM 1677 C GLU A 110 4.070 15.362 3.188 1.00 0.00 C ATOM 1678 O GLU A 110 4.263 16.141 4.123 1.00 0.00 O ATOM 1679 CB GLU A 110 5.098 16.799 1.337 1.00 0.00 C ATOM 1680 CG GLU A 110 4.920 17.390 -0.070 1.00 0.00 C ATOM 1681 CD GLU A 110 6.206 18.063 -0.588 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.694 19.030 0.047 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.717 17.650 -1.657 1.00 0.00 O ATOM 0 H GLU A 110 2.476 17.308 2.071 1.00 0.00 H new ATOM 0 HA GLU A 110 4.025 14.976 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.167 17.611 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.040 16.252 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.623 16.599 -0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.111 18.120 -0.055 1.00 0.00 H new ATOM 1690 N PHE A 111 3.914 14.050 3.372 1.00 0.00 N ATOM 1691 CA PHE A 111 3.904 13.354 4.667 1.00 0.00 C ATOM 1692 C PHE A 111 5.292 12.792 5.004 1.00 0.00 C ATOM 1693 O PHE A 111 6.128 12.621 4.113 1.00 0.00 O ATOM 1694 CB PHE A 111 2.871 12.215 4.626 1.00 0.00 C ATOM 1695 CG PHE A 111 1.531 12.606 4.031 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.338 12.497 2.643 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.480 13.072 4.841 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.114 12.859 2.065 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.755 13.424 4.265 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.937 13.315 2.874 1.00 0.00 C ATOM 0 H PHE A 111 3.785 13.411 2.588 1.00 0.00 H new ATOM 0 HA PHE A 111 3.633 14.069 5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.283 11.387 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.712 11.849 5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.139 12.132 2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.621 13.160 5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.020 12.787 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.562 13.777 4.890 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.885 13.582 2.430 1.00 0.00 H new ATOM 1710 N TYR A 112 5.543 12.472 6.277 1.00 0.00 N ATOM 1711 CA TYR A 112 6.826 11.928 6.733 1.00 0.00 C ATOM 1712 C TYR A 112 6.962 10.452 6.324 1.00 0.00 C ATOM 1713 O TYR A 112 6.386 9.559 6.953 1.00 0.00 O ATOM 1714 CB TYR A 112 6.980 12.151 8.249 1.00 0.00 C ATOM 1715 CG TYR A 112 7.841 13.340 8.644 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.685 14.588 8.006 1.00 0.00 C ATOM 1717 CD2 TYR A 112 8.804 13.193 9.663 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.508 15.674 8.364 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.626 14.277 10.028 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.483 15.521 9.374 1.00 0.00 C ATOM 1721 OH TYR A 112 10.275 16.576 9.715 1.00 0.00 O ATOM 0 H TYR A 112 4.858 12.584 7.024 1.00 0.00 H new ATOM 0 HA TYR A 112 7.645 12.458 6.247 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.989 12.280 8.684 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.407 11.251 8.691 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.933 14.712 7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.912 12.244 10.167 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.393 16.625 7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.365 14.157 10.807 1.00 0.00 H new ATOM 0 HH TYR A 112 10.892 16.305 10.427 1.00 0.00 H new ATOM 1731 N LEU A 113 7.715 10.199 5.251 1.00 0.00 N ATOM 1732 CA LEU A 113 7.971 8.863 4.708 1.00 0.00 C ATOM 1733 C LEU A 113 9.238 8.230 5.306 1.00 0.00 C ATOM 1734 O LEU A 113 10.317 8.828 5.313 1.00 0.00 O ATOM 1735 CB LEU A 113 8.034 8.921 3.170 1.00 0.00 C ATOM 1736 CG LEU A 113 6.789 8.351 2.470 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.614 6.856 2.704 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.498 9.078 2.845 1.00 0.00 C ATOM 0 H LEU A 113 8.176 10.939 4.721 1.00 0.00 H new ATOM 0 HA LEU A 113 7.142 8.216 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.169 9.958 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.912 8.371 2.832 1.00 0.00 H new ATOM 0 HG LEU A 113 6.975 8.519 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.720 6.509 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.485 6.323 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.512 6.664 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.659 8.626 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.335 8.999 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.578 10.129 2.567 1.00 0.00 H new ATOM 1750 N SER A 114 9.100 7.000 5.795 1.00 0.00 N ATOM 1751 CA SER A 114 10.138 6.237 6.493 1.00 0.00 C ATOM 1752 C SER A 114 10.250 4.832 5.894 1.00 0.00 C ATOM 1753 O SER A 114 9.545 3.906 6.293 1.00 0.00 O ATOM 1754 CB SER A 114 9.808 6.227 7.987 1.00 0.00 C ATOM 1755 OG SER A 114 10.772 5.523 8.755 1.00 0.00 O ATOM 0 H SER A 114 8.224 6.483 5.713 1.00 0.00 H new ATOM 0 HA SER A 114 11.116 6.701 6.368 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.741 7.254 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.828 5.773 8.136 1.00 0.00 H new ATOM 0 HG SER A 114 10.340 5.132 9.543 1.00 0.00 H new ATOM 1761 N ASP A 115 11.107 4.676 4.885 1.00 0.00 N ATOM 1762 CA ASP A 115 11.460 3.368 4.327 1.00 0.00 C ATOM 1763 C ASP A 115 12.656 2.743 5.071 1.00 0.00 C ATOM 1764 O ASP A 115 13.461 3.432 5.707 1.00 0.00 O ATOM 1765 CB ASP A 115 11.777 3.504 2.830 1.00 0.00 C ATOM 1766 CG ASP A 115 10.515 3.760 1.995 1.00 0.00 C ATOM 1767 OD1 ASP A 115 9.799 2.774 1.701 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.261 4.926 1.614 1.00 0.00 O ATOM 0 H ASP A 115 11.579 5.457 4.429 1.00 0.00 H new ATOM 0 HA ASP A 115 10.605 2.704 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.482 4.322 2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.266 2.595 2.479 1.00 0.00 H new ATOM 1773 N CYS A 116 12.799 1.423 4.935 1.00 0.00 N ATOM 1774 CA CYS A 116 14.001 0.659 5.265 1.00 0.00 C ATOM 1775 C CYS A 116 14.096 -0.514 4.290 1.00 0.00 C ATOM 1776 O CYS A 116 13.070 -1.093 3.940 1.00 0.00 O ATOM 1777 CB CYS A 116 13.918 0.162 6.715 1.00 0.00 C ATOM 1778 SG CYS A 116 14.714 1.267 7.911 1.00 0.00 S ATOM 0 H CYS A 116 12.048 0.834 4.577 1.00 0.00 H new ATOM 0 HA CYS A 116 14.892 1.281 5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.870 0.040 6.988 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.381 -0.823 6.779 1.00 0.00 H new ATOM 1783 N ASN A 117 15.308 -0.873 3.859 1.00 0.00 N ATOM 1784 CA ASN A 117 15.564 -1.938 2.880 1.00 0.00 C ATOM 1785 C ASN A 117 16.688 -2.850 3.388 1.00 0.00 C ATOM 1786 O ASN A 117 17.731 -2.345 3.807 1.00 0.00 O ATOM 1787 CB ASN A 117 15.923 -1.309 1.519 1.00 0.00 C ATOM 1788 CG ASN A 117 14.761 -0.580 0.861 1.00 0.00 C ATOM 1789 OD1 ASN A 117 13.993 -1.146 0.099 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.604 0.703 1.103 1.00 0.00 N ATOM 0 H ASN A 117 16.161 -0.421 4.188 1.00 0.00 H new ATOM 0 HA ASN A 117 14.669 -2.547 2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.748 -0.610 1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.277 -2.092 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.845 1.217 0.656 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.241 1.184 1.738 1.00 0.00 H new ATOM 1797 N VAL A 118 16.474 -4.169 3.402 1.00 0.00 N ATOM 1798 CA VAL A 118 17.438 -5.158 3.937 1.00 0.00 C ATOM 1799 C VAL A 118 18.797 -5.068 3.227 1.00 0.00 C ATOM 1800 O VAL A 118 18.869 -4.791 2.026 1.00 0.00 O ATOM 1801 CB VAL A 118 16.855 -6.585 3.840 1.00 0.00 C ATOM 1802 CG1 VAL A 118 17.878 -7.719 3.993 1.00 0.00 C ATOM 1803 CG2 VAL A 118 15.814 -6.827 4.930 1.00 0.00 C ATOM 0 H VAL A 118 15.620 -4.593 3.040 1.00 0.00 H new ATOM 0 HA VAL A 118 17.608 -4.924 4.988 1.00 0.00 H new ATOM 0 HB VAL A 118 16.439 -6.616 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.371 -8.680 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.631 -7.637 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.359 -7.646 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.420 -7.839 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.277 -6.705 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.000 -6.110 4.822 1.00 0.00 H new ATOM 1813 N THR A 119 19.878 -5.346 3.962 1.00 0.00 N ATOM 1814 CA THR A 119 21.251 -5.410 3.425 1.00 0.00 C ATOM 1815 C THR A 119 22.034 -6.615 3.968 1.00 0.00 C ATOM 1816 O THR A 119 22.443 -6.656 5.131 1.00 0.00 O ATOM 1817 CB THR A 119 21.982 -4.065 3.579 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.270 -4.147 3.008 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.110 -3.523 5.004 1.00 0.00 C ATOM 0 H THR A 119 19.829 -5.537 4.963 1.00 0.00 H new ATOM 0 HA THR A 119 21.180 -5.585 2.351 1.00 0.00 H new ATOM 0 HB THR A 119 21.342 -3.355 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.728 -3.286 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.642 -2.572 4.985 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.117 -3.374 5.427 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.662 -4.236 5.616 1.00 0.00 H new ATOM 1827 N SER A 120 22.178 -7.648 3.127 1.00 0.00 N ATOM 1828 CA SER A 120 22.888 -8.915 3.402 1.00 0.00 C ATOM 1829 C SER A 120 24.385 -8.727 3.693 1.00 0.00 C ATOM 1830 O SER A 120 24.870 -9.304 4.694 1.00 0.00 O ATOM 1831 CB SER A 120 22.721 -9.877 2.222 1.00 0.00 C ATOM 1832 OG SER A 120 21.342 -10.106 1.975 1.00 0.00 O ATOM 1833 OXT SER A 120 25.079 -8.043 2.904 1.00 0.00 O ATOM 0 H SER A 120 21.784 -7.626 2.186 1.00 0.00 H new ATOM 0 HA SER A 120 22.436 -9.328 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 120 23.194 -9.461 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.222 -10.821 2.437 1.00 0.00 H new ATOM 0 HG SER A 120 21.243 -10.721 1.218 1.00 0.00 H new TER 1839 SER A 120