USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0169 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00976) USER MOD Single : A 18 GLN : amide:sc= 0.708 K(o=0.71,f=-6.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0433 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.645 F(o=-1.4!,f=-0.65) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 0.238 (180deg=-0.0206) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0358) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= -0.0716 (180deg=-0.449) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 59:sc= 0.921 USER MOD Single : A 44 THR OG1 : rot -69:sc= -2.03! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0147 K(o=-0.015,f=-0.99) USER MOD Single : A 52 THR OG1 : rot 85:sc= 0.198 USER MOD Single : A 56 GLN : amide:sc= -5.07! C(o=-5.1!,f=-11!) USER MOD Single : A 57 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0424 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.151 4.225 -1.736 1.00 0.00 N ATOM 2 CA GLY A 1 -14.420 5.374 -1.236 1.00 0.00 C ATOM 3 C GLY A 1 -14.762 5.696 0.206 1.00 0.00 C ATOM 4 O GLY A 1 -15.902 5.515 0.636 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.500 3.423 -1.852 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.899 3.969 -1.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.579 4.459 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.350 5.184 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.639 6.240 -1.860 1.00 0.00 H new ATOM 8 N SER A 2 -13.774 6.174 0.955 1.00 0.00 N ATOM 9 CA SER A 2 -13.974 6.516 2.358 1.00 0.00 C ATOM 10 C SER A 2 -13.889 8.026 2.566 1.00 0.00 C ATOM 11 O SER A 2 -13.402 8.756 1.703 1.00 0.00 O ATOM 12 CB SER A 2 -12.935 5.811 3.230 1.00 0.00 C ATOM 13 OG SER A 2 -11.633 6.313 2.980 1.00 0.00 O ATOM 0 H SER A 2 -12.826 6.333 0.613 1.00 0.00 H new ATOM 0 HA SER A 2 -14.969 6.181 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.185 5.948 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.959 4.739 3.034 1.00 0.00 H new ATOM 0 HG SER A 2 -10.987 5.847 3.551 1.00 0.00 H new ATOM 19 N SER A 3 -14.368 8.486 3.717 1.00 0.00 N ATOM 20 CA SER A 3 -14.351 9.908 4.038 1.00 0.00 C ATOM 21 C SER A 3 -13.398 10.192 5.195 1.00 0.00 C ATOM 22 O SER A 3 -12.717 11.217 5.216 1.00 0.00 O ATOM 23 CB SER A 3 -15.759 10.389 4.393 1.00 0.00 C ATOM 24 OG SER A 3 -16.625 10.301 3.275 1.00 0.00 O ATOM 0 H SER A 3 -14.773 7.895 4.443 1.00 0.00 H new ATOM 0 HA SER A 3 -14.000 10.450 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.156 9.789 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.717 11.420 4.744 1.00 0.00 H new ATOM 0 HG SER A 3 -17.519 10.613 3.528 1.00 0.00 H new ATOM 30 N GLY A 4 -13.355 9.275 6.157 1.00 0.00 N ATOM 31 CA GLY A 4 -12.483 9.445 7.305 1.00 0.00 C ATOM 32 C GLY A 4 -11.777 8.160 7.691 1.00 0.00 C ATOM 33 O GLY A 4 -12.320 7.069 7.517 1.00 0.00 O ATOM 0 H GLY A 4 -13.908 8.418 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.741 10.212 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.068 9.803 8.152 1.00 0.00 H new ATOM 37 N SER A 5 -10.562 8.288 8.216 1.00 0.00 N ATOM 38 CA SER A 5 -9.779 7.128 8.623 1.00 0.00 C ATOM 39 C SER A 5 -10.034 6.787 10.088 1.00 0.00 C ATOM 40 O SER A 5 -10.559 5.720 10.406 1.00 0.00 O ATOM 41 CB SER A 5 -8.288 7.389 8.400 1.00 0.00 C ATOM 42 OG SER A 5 -7.511 6.266 8.779 1.00 0.00 O ATOM 0 H SER A 5 -10.099 9.184 8.369 1.00 0.00 H new ATOM 0 HA SER A 5 -10.087 6.280 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.109 7.621 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.978 8.261 8.976 1.00 0.00 H new ATOM 0 HG SER A 5 -6.562 6.458 8.625 1.00 0.00 H new ATOM 48 N SER A 6 -9.658 7.701 10.976 1.00 0.00 N ATOM 49 CA SER A 6 -9.842 7.497 12.408 1.00 0.00 C ATOM 50 C SER A 6 -11.286 7.116 12.721 1.00 0.00 C ATOM 51 O SER A 6 -12.207 7.477 11.990 1.00 0.00 O ATOM 52 CB SER A 6 -9.457 8.762 13.178 1.00 0.00 C ATOM 53 OG SER A 6 -9.218 8.473 14.545 1.00 0.00 O ATOM 0 H SER A 6 -9.224 8.590 10.729 1.00 0.00 H new ATOM 0 HA SER A 6 -9.193 6.679 12.720 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.565 9.204 12.735 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.254 9.500 13.093 1.00 0.00 H new ATOM 0 HG SER A 6 -8.972 9.297 15.015 1.00 0.00 H new ATOM 59 N GLY A 7 -11.474 6.384 13.815 1.00 0.00 N ATOM 60 CA GLY A 7 -12.807 5.966 14.207 1.00 0.00 C ATOM 61 C GLY A 7 -12.817 4.598 14.860 1.00 0.00 C ATOM 62 O GLY A 7 -12.073 3.704 14.456 1.00 0.00 O ATOM 0 H GLY A 7 -10.727 6.073 14.436 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.226 6.698 14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.453 5.951 13.329 1.00 0.00 H new ATOM 66 N ARG A 8 -13.660 4.434 15.875 1.00 0.00 N ATOM 67 CA ARG A 8 -13.761 3.166 16.587 1.00 0.00 C ATOM 68 C ARG A 8 -14.425 2.104 15.716 1.00 0.00 C ATOM 69 O ARG A 8 -14.004 0.948 15.698 1.00 0.00 O ATOM 70 CB ARG A 8 -14.554 3.347 17.883 1.00 0.00 C ATOM 71 CG ARG A 8 -15.959 3.885 17.667 1.00 0.00 C ATOM 72 CD ARG A 8 -16.629 4.239 18.986 1.00 0.00 C ATOM 73 NE ARG A 8 -18.070 4.422 18.836 1.00 0.00 N ATOM 74 CZ ARG A 8 -18.876 4.760 19.836 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.384 4.951 21.053 1.00 0.00 N ATOM 76 NH2 ARG A 8 -20.177 4.908 19.621 1.00 0.00 N ATOM 0 H ARG A 8 -14.283 5.164 16.222 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.752 2.833 16.829 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.616 2.388 18.398 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.011 4.027 18.540 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.918 4.769 17.030 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.558 3.141 17.142 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.438 3.450 19.713 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.187 5.153 19.383 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.480 4.283 17.913 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.385 4.838 21.222 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.005 5.211 21.819 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.559 4.762 18.687 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.795 5.168 20.390 1.00 0.00 H new ATOM 90 N LYS A 9 -15.466 2.505 14.994 1.00 0.00 N ATOM 91 CA LYS A 9 -16.189 1.590 14.119 1.00 0.00 C ATOM 92 C LYS A 9 -16.256 2.136 12.696 1.00 0.00 C ATOM 93 O LYS A 9 -17.336 2.259 12.118 1.00 0.00 O ATOM 94 CB LYS A 9 -17.603 1.352 14.652 1.00 0.00 C ATOM 95 CG LYS A 9 -18.255 0.093 14.108 1.00 0.00 C ATOM 96 CD LYS A 9 -19.719 0.005 14.507 1.00 0.00 C ATOM 97 CE LYS A 9 -19.876 -0.243 15.999 1.00 0.00 C ATOM 98 NZ LYS A 9 -21.275 -0.017 16.454 1.00 0.00 N ATOM 0 H LYS A 9 -15.828 3.459 14.998 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.650 0.643 14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.567 1.291 15.740 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.226 2.211 14.401 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -18.172 0.080 13.021 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.723 -0.783 14.479 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -20.227 0.930 14.235 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.201 -0.799 13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.580 -1.266 16.230 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.204 0.416 16.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -21.341 -0.196 17.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -21.550 0.966 16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -21.913 -0.663 15.947 1.00 0.00 H new ATOM 112 N LYS A 10 -15.095 2.459 12.136 1.00 0.00 N ATOM 113 CA LYS A 10 -15.021 2.990 10.780 1.00 0.00 C ATOM 114 C LYS A 10 -14.678 1.887 9.783 1.00 0.00 C ATOM 115 O LYS A 10 -13.981 0.929 10.118 1.00 0.00 O ATOM 116 CB LYS A 10 -13.976 4.105 10.703 1.00 0.00 C ATOM 117 CG LYS A 10 -14.041 4.911 9.417 1.00 0.00 C ATOM 118 CD LYS A 10 -15.259 5.819 9.388 1.00 0.00 C ATOM 119 CE LYS A 10 -15.602 6.246 7.969 1.00 0.00 C ATOM 120 NZ LYS A 10 -16.906 6.961 7.905 1.00 0.00 N ATOM 0 H LYS A 10 -14.192 2.362 12.601 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.998 3.399 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.111 4.777 11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.982 3.667 10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.137 5.511 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.071 4.234 8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.111 5.301 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.071 6.702 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.814 6.893 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.637 5.368 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.104 7.235 6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.662 6.335 8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.864 7.813 8.500 1.00 0.00 H new ATOM 134 N ARG A 11 -15.170 2.030 8.557 1.00 0.00 N ATOM 135 CA ARG A 11 -14.915 1.047 7.512 1.00 0.00 C ATOM 136 C ARG A 11 -13.421 0.937 7.221 1.00 0.00 C ATOM 137 O ARG A 11 -12.596 1.500 7.941 1.00 0.00 O ATOM 138 CB ARG A 11 -15.668 1.422 6.234 1.00 0.00 C ATOM 139 CG ARG A 11 -15.204 2.730 5.616 1.00 0.00 C ATOM 140 CD ARG A 11 -15.249 2.676 4.097 1.00 0.00 C ATOM 141 NE ARG A 11 -16.552 3.076 3.573 1.00 0.00 N ATOM 142 CZ ARG A 11 -16.887 2.989 2.291 1.00 0.00 C ATOM 143 NH1 ARG A 11 -16.019 2.518 1.406 1.00 0.00 N ATOM 144 NH2 ARG A 11 -18.093 3.372 1.891 1.00 0.00 N ATOM 0 H ARG A 11 -15.748 2.818 8.263 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.271 0.079 7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.548 0.622 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.733 1.493 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.835 3.545 5.971 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.187 2.948 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.478 3.329 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.019 1.664 3.763 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.243 3.442 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.091 2.221 1.709 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.279 2.452 0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.764 3.734 2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.349 3.305 0.906 1.00 0.00 H new ATOM 158 N ILE A 12 -13.081 0.210 6.163 1.00 0.00 N ATOM 159 CA ILE A 12 -11.687 0.027 5.777 1.00 0.00 C ATOM 160 C ILE A 12 -10.965 1.366 5.675 1.00 0.00 C ATOM 161 O ILE A 12 -11.476 2.334 5.109 1.00 0.00 O ATOM 162 CB ILE A 12 -11.567 -0.711 4.431 1.00 0.00 C ATOM 163 CG1 ILE A 12 -12.290 -2.058 4.497 1.00 0.00 C ATOM 164 CG2 ILE A 12 -10.104 -0.907 4.062 1.00 0.00 C ATOM 165 CD1 ILE A 12 -11.785 -2.962 5.601 1.00 0.00 C ATOM 0 H ILE A 12 -13.752 -0.262 5.557 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.221 -0.577 6.556 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.038 -0.104 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.356 -1.882 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.178 -2.569 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.036 -1.430 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.617 0.064 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.610 -1.496 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.343 -3.898 5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.726 -3.168 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.922 -2.471 6.565 1.00 0.00 H new ATOM 177 N PRO A 13 -9.748 1.426 6.234 1.00 0.00 N ATOM 178 CA PRO A 13 -8.928 2.641 6.218 1.00 0.00 C ATOM 179 C PRO A 13 -8.217 2.843 4.884 1.00 0.00 C ATOM 180 O PRO A 13 -8.495 2.144 3.909 1.00 0.00 O ATOM 181 CB PRO A 13 -7.910 2.398 7.335 1.00 0.00 C ATOM 182 CG PRO A 13 -7.805 0.915 7.435 1.00 0.00 C ATOM 183 CD PRO A 13 -9.077 0.312 6.926 1.00 0.00 C ATOM 0 HA PRO A 13 -9.529 3.539 6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.946 2.848 7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.243 2.836 8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.956 0.556 6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.632 0.617 8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.881 -0.519 6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.688 -0.078 7.740 1.00 0.00 H new ATOM 191 N TYR A 14 -7.298 3.801 4.847 1.00 0.00 N ATOM 192 CA TYR A 14 -6.549 4.096 3.632 1.00 0.00 C ATOM 193 C TYR A 14 -7.475 4.597 2.528 1.00 0.00 C ATOM 194 O TYR A 14 -8.264 3.834 1.970 1.00 0.00 O ATOM 195 CB TYR A 14 -5.798 2.851 3.156 1.00 0.00 C ATOM 196 CG TYR A 14 -5.033 2.148 4.255 1.00 0.00 C ATOM 197 CD1 TYR A 14 -3.961 2.767 4.887 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.382 0.866 4.662 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.258 2.129 5.891 1.00 0.00 C ATOM 200 CE2 TYR A 14 -4.686 0.221 5.666 1.00 0.00 C ATOM 201 CZ TYR A 14 -3.625 0.856 6.277 1.00 0.00 C ATOM 202 OH TYR A 14 -2.929 0.217 7.277 1.00 0.00 O ATOM 0 H TYR A 14 -7.054 4.387 5.645 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.829 4.882 3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.511 2.153 2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.103 3.136 2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.672 3.764 4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.212 0.365 4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.426 2.624 6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.971 -0.775 5.971 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.315 -0.671 7.429 1.00 0.00 H new ATOM 212 N SER A 15 -7.373 5.886 2.219 1.00 0.00 N ATOM 213 CA SER A 15 -8.203 6.492 1.185 1.00 0.00 C ATOM 214 C SER A 15 -7.787 6.006 -0.200 1.00 0.00 C ATOM 215 O SER A 15 -6.720 5.415 -0.369 1.00 0.00 O ATOM 216 CB SER A 15 -8.108 8.017 1.253 1.00 0.00 C ATOM 217 OG SER A 15 -8.368 8.486 2.564 1.00 0.00 O ATOM 0 H SER A 15 -6.724 6.530 2.670 1.00 0.00 H new ATOM 0 HA SER A 15 -9.236 6.192 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.114 8.337 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.820 8.460 0.557 1.00 0.00 H new ATOM 0 HG SER A 15 -8.299 9.463 2.581 1.00 0.00 H new ATOM 223 N LYS A 16 -8.636 6.260 -1.190 1.00 0.00 N ATOM 224 CA LYS A 16 -8.358 5.851 -2.561 1.00 0.00 C ATOM 225 C LYS A 16 -6.985 6.341 -3.007 1.00 0.00 C ATOM 226 O LYS A 16 -6.328 5.710 -3.835 1.00 0.00 O ATOM 227 CB LYS A 16 -9.435 6.391 -3.505 1.00 0.00 C ATOM 228 CG LYS A 16 -9.577 7.903 -3.463 1.00 0.00 C ATOM 229 CD LYS A 16 -10.721 8.380 -4.342 1.00 0.00 C ATOM 230 CE LYS A 16 -11.440 9.570 -3.725 1.00 0.00 C ATOM 231 NZ LYS A 16 -10.544 10.753 -3.597 1.00 0.00 N ATOM 0 H LYS A 16 -9.523 6.748 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.365 4.762 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.200 6.085 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.392 5.937 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.748 8.225 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.647 8.366 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.336 8.655 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.429 7.565 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.302 9.832 -4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.821 9.294 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.088 11.563 -3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.771 10.533 -2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.147 10.990 -4.529 1.00 0.00 H new ATOM 245 N GLY A 17 -6.554 7.470 -2.452 1.00 0.00 N ATOM 246 CA GLY A 17 -5.260 8.023 -2.804 1.00 0.00 C ATOM 247 C GLY A 17 -4.112 7.263 -2.171 1.00 0.00 C ATOM 248 O GLY A 17 -3.063 7.083 -2.789 1.00 0.00 O ATOM 0 H GLY A 17 -7.079 8.011 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.146 8.010 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.217 9.066 -2.491 1.00 0.00 H new ATOM 252 N GLN A 18 -4.310 6.818 -0.934 1.00 0.00 N ATOM 253 CA GLN A 18 -3.281 6.075 -0.217 1.00 0.00 C ATOM 254 C GLN A 18 -3.127 4.669 -0.787 1.00 0.00 C ATOM 255 O GLN A 18 -2.015 4.223 -1.075 1.00 0.00 O ATOM 256 CB GLN A 18 -3.622 5.999 1.273 1.00 0.00 C ATOM 257 CG GLN A 18 -3.550 7.341 1.983 1.00 0.00 C ATOM 258 CD GLN A 18 -4.117 7.290 3.387 1.00 0.00 C ATOM 259 OE1 GLN A 18 -5.329 7.175 3.576 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.242 7.374 4.383 1.00 0.00 N ATOM 0 H GLN A 18 -5.173 6.959 -0.408 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.335 6.603 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.626 5.591 1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.938 5.303 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.512 7.669 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.095 8.085 1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.247 7.468 4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.565 7.344 5.350 1.00 0.00 H new ATOM 269 N LEU A 19 -4.248 3.975 -0.948 1.00 0.00 N ATOM 270 CA LEU A 19 -4.237 2.618 -1.484 1.00 0.00 C ATOM 271 C LEU A 19 -3.768 2.610 -2.935 1.00 0.00 C ATOM 272 O LEU A 19 -3.287 1.593 -3.437 1.00 0.00 O ATOM 273 CB LEU A 19 -5.632 1.998 -1.384 1.00 0.00 C ATOM 274 CG LEU A 19 -6.228 1.910 0.022 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.744 1.812 -0.047 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.648 0.721 0.774 1.00 0.00 C ATOM 0 H LEU A 19 -5.176 4.329 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.539 2.025 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.311 2.578 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.592 0.993 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.967 2.819 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.151 1.750 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.143 2.695 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.026 0.920 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.083 0.674 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.878 -0.198 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.567 0.834 0.855 1.00 0.00 H new ATOM 288 N ARG A 20 -3.908 3.750 -3.604 1.00 0.00 N ATOM 289 CA ARG A 20 -3.498 3.874 -4.997 1.00 0.00 C ATOM 290 C ARG A 20 -2.012 3.566 -5.155 1.00 0.00 C ATOM 291 O ARG A 20 -1.587 3.014 -6.170 1.00 0.00 O ATOM 292 CB ARG A 20 -3.796 5.282 -5.515 1.00 0.00 C ATOM 293 CG ARG A 20 -3.196 5.568 -6.882 1.00 0.00 C ATOM 294 CD ARG A 20 -3.486 6.991 -7.332 1.00 0.00 C ATOM 295 NE ARG A 20 -4.666 7.064 -8.190 1.00 0.00 N ATOM 296 CZ ARG A 20 -4.665 6.715 -9.471 1.00 0.00 C ATOM 297 NH1 ARG A 20 -3.553 6.270 -10.040 1.00 0.00 N ATOM 298 NH2 ARG A 20 -5.778 6.810 -10.187 1.00 0.00 N ATOM 0 H ARG A 20 -4.302 4.601 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.066 3.151 -5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.876 5.420 -5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.414 6.011 -4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.118 5.409 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.599 4.865 -7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.634 7.625 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.623 7.385 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.538 7.401 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.695 6.195 -9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.556 6.003 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.636 7.152 -9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.776 6.542 -11.171 1.00 0.00 H new ATOM 312 N GLU A 21 -1.227 3.927 -4.145 1.00 0.00 N ATOM 313 CA GLU A 21 0.212 3.690 -4.174 1.00 0.00 C ATOM 314 C GLU A 21 0.539 2.271 -3.717 1.00 0.00 C ATOM 315 O GLU A 21 1.440 1.626 -4.255 1.00 0.00 O ATOM 316 CB GLU A 21 0.936 4.704 -3.285 1.00 0.00 C ATOM 317 CG GLU A 21 0.626 6.150 -3.633 1.00 0.00 C ATOM 318 CD GLU A 21 0.757 6.434 -5.116 1.00 0.00 C ATOM 319 OE1 GLU A 21 1.655 5.846 -5.755 1.00 0.00 O ATOM 320 OE2 GLU A 21 -0.037 7.243 -5.639 1.00 0.00 O ATOM 0 H GLU A 21 -1.563 4.384 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 21 0.554 3.810 -5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.663 4.523 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.011 4.542 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.387 6.388 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.300 6.805 -3.081 1.00 0.00 H new ATOM 327 N LEU A 22 -0.198 1.792 -2.721 1.00 0.00 N ATOM 328 CA LEU A 22 0.013 0.450 -2.191 1.00 0.00 C ATOM 329 C LEU A 22 -0.339 -0.608 -3.232 1.00 0.00 C ATOM 330 O LEU A 22 0.468 -1.486 -3.534 1.00 0.00 O ATOM 331 CB LEU A 22 -0.828 0.241 -0.930 1.00 0.00 C ATOM 332 CG LEU A 22 -0.613 1.253 0.195 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.874 1.394 1.034 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.565 0.841 1.066 1.00 0.00 C ATOM 0 H LEU A 22 -0.947 2.313 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 22 1.068 0.347 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.881 0.260 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.620 -0.755 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.388 2.221 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.702 2.119 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.694 1.736 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.130 0.429 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.703 1.573 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.369 -0.138 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.468 0.792 0.457 1.00 0.00 H new ATOM 346 N GLU A 23 -1.548 -0.516 -3.777 1.00 0.00 N ATOM 347 CA GLU A 23 -2.005 -1.466 -4.785 1.00 0.00 C ATOM 348 C GLU A 23 -1.008 -1.558 -5.937 1.00 0.00 C ATOM 349 O GLU A 23 -0.668 -2.651 -6.391 1.00 0.00 O ATOM 350 CB GLU A 23 -3.379 -1.056 -5.318 1.00 0.00 C ATOM 351 CG GLU A 23 -4.495 -1.201 -4.297 1.00 0.00 C ATOM 352 CD GLU A 23 -5.800 -0.587 -4.768 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.863 0.655 -4.882 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.757 -1.348 -5.022 1.00 0.00 O ATOM 0 H GLU A 23 -2.228 0.206 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.083 -2.446 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.336 -0.019 -5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.616 -1.663 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.652 -2.258 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.192 -0.728 -3.363 1.00 0.00 H new ATOM 361 N ARG A 24 -0.543 -0.404 -6.403 1.00 0.00 N ATOM 362 CA ARG A 24 0.413 -0.354 -7.503 1.00 0.00 C ATOM 363 C ARG A 24 1.692 -1.105 -7.146 1.00 0.00 C ATOM 364 O ARG A 24 2.111 -2.013 -7.864 1.00 0.00 O ATOM 365 CB ARG A 24 0.743 1.098 -7.854 1.00 0.00 C ATOM 366 CG ARG A 24 -0.237 1.727 -8.830 1.00 0.00 C ATOM 367 CD ARG A 24 0.415 2.841 -9.634 1.00 0.00 C ATOM 368 NE ARG A 24 1.173 2.326 -10.770 1.00 0.00 N ATOM 369 CZ ARG A 24 0.610 1.784 -11.845 1.00 0.00 C ATOM 370 NH1 ARG A 24 -0.709 1.689 -11.929 1.00 0.00 N ATOM 371 NH2 ARG A 24 1.368 1.337 -12.838 1.00 0.00 N ATOM 0 H ARG A 24 -0.812 0.509 -6.036 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.042 -0.836 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.761 1.689 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.745 1.141 -8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.618 0.963 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.092 2.124 -8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.353 3.527 -9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.078 3.415 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 24 2.191 2.385 -10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.295 2.032 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.139 1.273 -12.755 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.384 1.409 -12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.935 0.921 -13.663 1.00 0.00 H new ATOM 385 N GLU A 25 2.307 -0.720 -6.032 1.00 0.00 N ATOM 386 CA GLU A 25 3.539 -1.358 -5.581 1.00 0.00 C ATOM 387 C GLU A 25 3.328 -2.852 -5.357 1.00 0.00 C ATOM 388 O GLU A 25 4.213 -3.663 -5.631 1.00 0.00 O ATOM 389 CB GLU A 25 4.035 -0.703 -4.290 1.00 0.00 C ATOM 390 CG GLU A 25 4.959 0.480 -4.524 1.00 0.00 C ATOM 391 CD GLU A 25 4.485 1.378 -5.651 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.692 1.014 -6.827 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.906 2.444 -5.355 1.00 0.00 O ATOM 0 H GLU A 25 1.973 0.029 -5.426 1.00 0.00 H new ATOM 0 HA GLU A 25 4.291 -1.228 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.176 -0.372 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.558 -1.449 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.035 1.064 -3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.960 0.114 -4.753 1.00 0.00 H new ATOM 400 N TYR A 26 2.150 -3.209 -4.858 1.00 0.00 N ATOM 401 CA TYR A 26 1.823 -4.605 -4.594 1.00 0.00 C ATOM 402 C TYR A 26 1.868 -5.427 -5.879 1.00 0.00 C ATOM 403 O TYR A 26 2.493 -6.486 -5.930 1.00 0.00 O ATOM 404 CB TYR A 26 0.439 -4.714 -3.954 1.00 0.00 C ATOM 405 CG TYR A 26 0.052 -6.129 -3.584 1.00 0.00 C ATOM 406 CD1 TYR A 26 0.410 -6.669 -2.355 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.670 -6.925 -4.464 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.059 -7.961 -2.013 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.026 -8.218 -4.131 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.659 -8.731 -2.904 1.00 0.00 C ATOM 411 OH TYR A 26 -1.010 -10.018 -2.568 1.00 0.00 O ATOM 0 H TYR A 26 1.405 -2.551 -4.628 1.00 0.00 H new ATOM 0 HA TYR A 26 2.567 -5.002 -3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.412 -4.093 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.303 -4.312 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.972 -6.069 -1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.958 -6.526 -5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.345 -8.366 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.588 -8.823 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.514 -10.423 -3.305 1.00 0.00 H new ATOM 421 N ALA A 27 1.199 -4.930 -6.915 1.00 0.00 N ATOM 422 CA ALA A 27 1.164 -5.616 -8.201 1.00 0.00 C ATOM 423 C ALA A 27 2.573 -5.904 -8.708 1.00 0.00 C ATOM 424 O ALA A 27 2.793 -6.865 -9.445 1.00 0.00 O ATOM 425 CB ALA A 27 0.393 -4.789 -9.219 1.00 0.00 C ATOM 0 H ALA A 27 0.674 -4.056 -6.889 1.00 0.00 H new ATOM 0 HA ALA A 27 0.654 -6.569 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.375 -5.313 -10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.628 -4.639 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.879 -3.822 -9.345 1.00 0.00 H new ATOM 431 N ALA A 28 3.523 -5.064 -8.311 1.00 0.00 N ATOM 432 CA ALA A 28 4.911 -5.230 -8.725 1.00 0.00 C ATOM 433 C ALA A 28 5.654 -6.175 -7.787 1.00 0.00 C ATOM 434 O ALA A 28 6.532 -6.924 -8.213 1.00 0.00 O ATOM 435 CB ALA A 28 5.610 -3.880 -8.780 1.00 0.00 C ATOM 0 H ALA A 28 3.357 -4.262 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 28 4.917 -5.671 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.646 -4.019 -9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.100 -3.235 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.586 -3.417 -7.793 1.00 0.00 H new ATOM 441 N ASN A 29 5.297 -6.134 -6.507 1.00 0.00 N ATOM 442 CA ASN A 29 5.932 -6.986 -5.509 1.00 0.00 C ATOM 443 C ASN A 29 5.059 -7.108 -4.263 1.00 0.00 C ATOM 444 O ASN A 29 4.560 -6.111 -3.741 1.00 0.00 O ATOM 445 CB ASN A 29 7.305 -6.428 -5.130 1.00 0.00 C ATOM 446 CG ASN A 29 7.332 -4.912 -5.127 1.00 0.00 C ATOM 447 OD1 ASN A 29 6.634 -4.310 -4.171 1.00 0.00 O flip ATOM 448 ND2 ASN A 29 7.973 -4.289 -5.973 1.00 0.00 N flip ATOM 0 H ASN A 29 4.571 -5.520 -6.137 1.00 0.00 H new ATOM 0 HA ASN A 29 6.058 -7.978 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.584 -6.796 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.052 -6.801 -5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.495 -4.793 -6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.982 -3.269 -5.957 1.00 0.00 H new ATOM 455 N LYS A 30 4.880 -8.337 -3.791 1.00 0.00 N ATOM 456 CA LYS A 30 4.069 -8.591 -2.606 1.00 0.00 C ATOM 457 C LYS A 30 4.824 -8.205 -1.338 1.00 0.00 C ATOM 458 O LYS A 30 4.226 -8.035 -0.275 1.00 0.00 O ATOM 459 CB LYS A 30 3.668 -10.067 -2.544 1.00 0.00 C ATOM 460 CG LYS A 30 3.203 -10.627 -3.877 1.00 0.00 C ATOM 461 CD LYS A 30 1.916 -9.966 -4.341 1.00 0.00 C ATOM 462 CE LYS A 30 1.759 -10.051 -5.852 1.00 0.00 C ATOM 463 NZ LYS A 30 2.856 -9.339 -6.564 1.00 0.00 N ATOM 0 H LYS A 30 5.286 -9.173 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 30 3.170 -7.979 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.518 -10.651 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.871 -10.188 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.980 -10.478 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.049 -11.702 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.065 -10.446 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.910 -8.921 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.747 -11.097 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.800 -9.623 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.612 -9.243 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.985 -8.395 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.739 -9.881 -6.472 1.00 0.00 H new ATOM 477 N PHE A 31 6.140 -8.066 -1.457 1.00 0.00 N ATOM 478 CA PHE A 31 6.976 -7.698 -0.320 1.00 0.00 C ATOM 479 C PHE A 31 7.964 -6.601 -0.704 1.00 0.00 C ATOM 480 O PHE A 31 8.920 -6.841 -1.442 1.00 0.00 O ATOM 481 CB PHE A 31 7.733 -8.922 0.200 1.00 0.00 C ATOM 482 CG PHE A 31 6.899 -9.816 1.073 1.00 0.00 C ATOM 483 CD1 PHE A 31 6.673 -9.493 2.402 1.00 0.00 C ATOM 484 CD2 PHE A 31 6.342 -10.979 0.567 1.00 0.00 C ATOM 485 CE1 PHE A 31 5.907 -10.313 3.208 1.00 0.00 C ATOM 486 CE2 PHE A 31 5.575 -11.803 1.368 1.00 0.00 C ATOM 487 CZ PHE A 31 5.357 -11.469 2.690 1.00 0.00 C ATOM 0 H PHE A 31 6.651 -8.203 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 31 6.327 -7.318 0.469 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.103 -9.498 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.605 -8.588 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.101 -8.590 2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.509 -11.245 -0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.739 -10.050 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.147 -12.707 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.757 -12.111 3.318 1.00 0.00 H new ATOM 497 N ILE A 32 7.725 -5.395 -0.198 1.00 0.00 N ATOM 498 CA ILE A 32 8.593 -4.261 -0.487 1.00 0.00 C ATOM 499 C ILE A 32 9.808 -4.250 0.435 1.00 0.00 C ATOM 500 O ILE A 32 9.881 -5.017 1.395 1.00 0.00 O ATOM 501 CB ILE A 32 7.841 -2.925 -0.342 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.491 -2.668 1.125 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.584 -2.929 -1.199 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.748 -1.370 1.351 1.00 0.00 C ATOM 0 H ILE A 32 6.938 -5.179 0.414 1.00 0.00 H new ATOM 0 HA ILE A 32 8.924 -4.372 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 32 8.490 -2.120 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.884 -3.494 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.409 -2.659 1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.063 -1.978 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.857 -3.071 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.930 -3.741 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.533 -1.254 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.362 -0.536 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.813 -1.384 0.791 1.00 0.00 H new ATOM 516 N THR A 33 10.762 -3.372 0.138 1.00 0.00 N ATOM 517 CA THR A 33 11.973 -3.259 0.940 1.00 0.00 C ATOM 518 C THR A 33 11.997 -1.950 1.719 1.00 0.00 C ATOM 519 O THR A 33 11.189 -1.054 1.474 1.00 0.00 O ATOM 520 CB THR A 33 13.237 -3.345 0.063 1.00 0.00 C ATOM 521 OG1 THR A 33 14.408 -3.269 0.883 1.00 0.00 O ATOM 522 CG2 THR A 33 13.259 -2.225 -0.966 1.00 0.00 C ATOM 0 H THR A 33 10.718 -2.729 -0.653 1.00 0.00 H new ATOM 0 HA THR A 33 11.967 -4.094 1.640 1.00 0.00 H new ATOM 0 HB THR A 33 13.223 -4.300 -0.463 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.207 -3.326 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.161 -2.306 -1.573 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.381 -2.303 -1.607 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.251 -1.262 -0.456 1.00 0.00 H new ATOM 530 N LYS A 34 12.930 -1.843 2.660 1.00 0.00 N ATOM 531 CA LYS A 34 13.061 -0.642 3.475 1.00 0.00 C ATOM 532 C LYS A 34 13.280 0.588 2.600 1.00 0.00 C ATOM 533 O LYS A 34 12.993 1.713 3.011 1.00 0.00 O ATOM 534 CB LYS A 34 14.223 -0.793 4.459 1.00 0.00 C ATOM 535 CG LYS A 34 13.780 -1.075 5.884 1.00 0.00 C ATOM 536 CD LYS A 34 14.928 -1.599 6.732 1.00 0.00 C ATOM 537 CE LYS A 34 14.453 -2.021 8.113 1.00 0.00 C ATOM 538 NZ LYS A 34 13.682 -3.295 8.070 1.00 0.00 N ATOM 0 H LYS A 34 13.607 -2.575 2.876 1.00 0.00 H new ATOM 0 HA LYS A 34 12.134 -0.509 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.871 -1.602 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.820 0.119 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.384 -0.163 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.970 -1.804 5.877 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.394 -2.448 6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.692 -0.828 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.313 -2.139 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.831 -1.234 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.478 -3.610 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.788 -3.143 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.241 -4.022 7.580 1.00 0.00 H new ATOM 552 N ASP A 35 13.787 0.367 1.392 1.00 0.00 N ATOM 553 CA ASP A 35 14.041 1.458 0.458 1.00 0.00 C ATOM 554 C ASP A 35 12.765 1.849 -0.281 1.00 0.00 C ATOM 555 O ASP A 35 12.656 2.954 -0.813 1.00 0.00 O ATOM 556 CB ASP A 35 15.123 1.056 -0.546 1.00 0.00 C ATOM 557 CG ASP A 35 16.143 2.156 -0.768 1.00 0.00 C ATOM 558 OD1 ASP A 35 15.902 3.023 -1.633 1.00 0.00 O ATOM 559 OD2 ASP A 35 17.182 2.149 -0.076 1.00 0.00 O ATOM 0 H ASP A 35 14.030 -0.558 1.037 1.00 0.00 H new ATOM 0 HA ASP A 35 14.387 2.319 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.631 0.160 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.656 0.800 -1.497 1.00 0.00 H new ATOM 564 N LYS A 36 11.801 0.935 -0.310 1.00 0.00 N ATOM 565 CA LYS A 36 10.531 1.183 -0.983 1.00 0.00 C ATOM 566 C LYS A 36 9.472 1.652 0.009 1.00 0.00 C ATOM 567 O LYS A 36 8.622 2.480 -0.321 1.00 0.00 O ATOM 568 CB LYS A 36 10.052 -0.084 -1.695 1.00 0.00 C ATOM 569 CG LYS A 36 8.638 0.022 -2.239 1.00 0.00 C ATOM 570 CD LYS A 36 8.498 1.183 -3.209 1.00 0.00 C ATOM 571 CE LYS A 36 9.355 0.979 -4.449 1.00 0.00 C ATOM 572 NZ LYS A 36 9.083 -0.331 -5.101 1.00 0.00 N ATOM 0 H LYS A 36 11.875 0.015 0.125 1.00 0.00 H new ATOM 0 HA LYS A 36 10.687 1.970 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.732 -0.308 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.103 -0.922 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.370 -0.907 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.938 0.151 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.453 1.291 -3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.788 2.110 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.165 1.784 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.409 1.037 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.469 -0.325 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.533 -1.092 -4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.056 -0.493 -5.139 1.00 0.00 H new ATOM 586 N ARG A 37 9.530 1.120 1.225 1.00 0.00 N ATOM 587 CA ARG A 37 8.576 1.486 2.265 1.00 0.00 C ATOM 588 C ARG A 37 8.716 2.959 2.639 1.00 0.00 C ATOM 589 O ARG A 37 7.726 3.638 2.908 1.00 0.00 O ATOM 590 CB ARG A 37 8.780 0.612 3.505 1.00 0.00 C ATOM 591 CG ARG A 37 7.503 0.359 4.289 1.00 0.00 C ATOM 592 CD ARG A 37 7.537 -0.991 4.987 1.00 0.00 C ATOM 593 NE ARG A 37 8.644 -1.092 5.933 1.00 0.00 N ATOM 594 CZ ARG A 37 9.136 -2.246 6.369 1.00 0.00 C ATOM 595 NH1 ARG A 37 8.621 -3.392 5.946 1.00 0.00 N ATOM 596 NH2 ARG A 37 10.146 -2.255 7.230 1.00 0.00 N ATOM 0 H ARG A 37 10.227 0.434 1.514 1.00 0.00 H new ATOM 0 HA ARG A 37 7.572 1.322 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.204 -0.344 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.509 1.089 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.366 1.149 5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.647 0.400 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.596 -1.151 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.624 -1.782 4.242 1.00 0.00 H new ATOM 0 HE ARG A 37 9.063 -0.228 6.278 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.845 -3.389 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.001 -4.277 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.545 -1.375 7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.523 -3.142 7.564 1.00 0.00 H new ATOM 610 N ARG A 38 9.953 3.445 2.654 1.00 0.00 N ATOM 611 CA ARG A 38 10.223 4.836 2.996 1.00 0.00 C ATOM 612 C ARG A 38 9.447 5.781 2.083 1.00 0.00 C ATOM 613 O ARG A 38 8.894 6.784 2.536 1.00 0.00 O ATOM 614 CB ARG A 38 11.722 5.127 2.894 1.00 0.00 C ATOM 615 CG ARG A 38 12.292 4.902 1.503 1.00 0.00 C ATOM 616 CD ARG A 38 13.808 5.022 1.496 1.00 0.00 C ATOM 617 NE ARG A 38 14.250 6.347 1.070 1.00 0.00 N ATOM 618 CZ ARG A 38 14.398 7.375 1.899 1.00 0.00 C ATOM 619 NH1 ARG A 38 14.142 7.230 3.191 1.00 0.00 N ATOM 620 NH2 ARG A 38 14.804 8.550 1.435 1.00 0.00 N ATOM 0 H ARG A 38 10.784 2.896 2.433 1.00 0.00 H new ATOM 0 HA ARG A 38 9.897 5.001 4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.904 6.160 3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 38 12.256 4.494 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.003 3.914 1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.865 5.629 0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.193 4.815 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.228 4.268 0.830 1.00 0.00 H new ATOM 0 HE ARG A 38 14.457 6.491 0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.831 6.328 3.551 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.256 8.020 3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.003 8.665 0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.917 9.338 2.072 1.00 0.00 H new ATOM 634 N LYS A 39 9.411 5.454 0.796 1.00 0.00 N ATOM 635 CA LYS A 39 8.702 6.272 -0.181 1.00 0.00 C ATOM 636 C LYS A 39 7.196 6.214 0.050 1.00 0.00 C ATOM 637 O LYS A 39 6.550 7.241 0.258 1.00 0.00 O ATOM 638 CB LYS A 39 9.030 5.805 -1.601 1.00 0.00 C ATOM 639 CG LYS A 39 10.510 5.870 -1.937 1.00 0.00 C ATOM 640 CD LYS A 39 10.901 7.238 -2.469 1.00 0.00 C ATOM 641 CE LYS A 39 12.078 7.147 -3.428 1.00 0.00 C ATOM 642 NZ LYS A 39 13.368 6.964 -2.708 1.00 0.00 N ATOM 0 H LYS A 39 9.864 4.628 0.405 1.00 0.00 H new ATOM 0 HA LYS A 39 9.030 7.304 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.682 4.780 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.477 6.418 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.097 5.644 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.750 5.108 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.049 7.689 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.158 7.893 -1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.924 6.314 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.125 8.053 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.145 6.907 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.528 7.771 -2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.333 6.086 -2.151 1.00 0.00 H new ATOM 656 N ILE A 40 6.643 5.006 0.013 1.00 0.00 N ATOM 657 CA ILE A 40 5.213 4.815 0.221 1.00 0.00 C ATOM 658 C ILE A 40 4.749 5.491 1.507 1.00 0.00 C ATOM 659 O ILE A 40 3.618 5.969 1.596 1.00 0.00 O ATOM 660 CB ILE A 40 4.847 3.320 0.280 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.274 2.617 -1.010 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.354 3.148 0.514 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.060 1.120 -0.982 1.00 0.00 C ATOM 0 H ILE A 40 7.163 4.146 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 40 4.707 5.271 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 40 5.380 2.864 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.717 3.040 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.329 2.822 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.112 2.086 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.077 3.618 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.802 3.616 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.385 0.688 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.639 0.685 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.002 0.906 -0.830 1.00 0.00 H new ATOM 675 N SER A 41 5.631 5.529 2.501 1.00 0.00 N ATOM 676 CA SER A 41 5.312 6.145 3.783 1.00 0.00 C ATOM 677 C SER A 41 5.077 7.644 3.622 1.00 0.00 C ATOM 678 O SER A 41 4.244 8.230 4.312 1.00 0.00 O ATOM 679 CB SER A 41 6.440 5.898 4.786 1.00 0.00 C ATOM 680 OG SER A 41 6.526 6.955 5.727 1.00 0.00 O ATOM 0 H SER A 41 6.572 5.140 2.443 1.00 0.00 H new ATOM 0 HA SER A 41 4.396 5.690 4.159 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.268 4.956 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.387 5.801 4.256 1.00 0.00 H new ATOM 0 HG SER A 41 5.677 7.033 6.209 1.00 0.00 H new ATOM 686 N ALA A 42 5.819 8.257 2.706 1.00 0.00 N ATOM 687 CA ALA A 42 5.692 9.687 2.452 1.00 0.00 C ATOM 688 C ALA A 42 4.617 9.965 1.406 1.00 0.00 C ATOM 689 O ALA A 42 3.905 10.966 1.485 1.00 0.00 O ATOM 690 CB ALA A 42 7.027 10.264 2.006 1.00 0.00 C ATOM 0 H ALA A 42 6.514 7.786 2.127 1.00 0.00 H new ATOM 0 HA ALA A 42 5.392 10.171 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.918 11.332 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.771 10.106 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.351 9.768 1.091 1.00 0.00 H new ATOM 696 N ALA A 43 4.506 9.073 0.427 1.00 0.00 N ATOM 697 CA ALA A 43 3.517 9.223 -0.634 1.00 0.00 C ATOM 698 C ALA A 43 2.100 9.108 -0.083 1.00 0.00 C ATOM 699 O ALA A 43 1.218 9.891 -0.439 1.00 0.00 O ATOM 700 CB ALA A 43 3.749 8.184 -1.721 1.00 0.00 C ATOM 0 H ALA A 43 5.088 8.239 0.346 1.00 0.00 H new ATOM 0 HA ALA A 43 3.631 10.217 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.004 8.307 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.746 8.315 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.664 7.185 -1.294 1.00 0.00 H new ATOM 706 N THR A 44 1.886 8.126 0.787 1.00 0.00 N ATOM 707 CA THR A 44 0.575 7.907 1.386 1.00 0.00 C ATOM 708 C THR A 44 0.517 8.467 2.802 1.00 0.00 C ATOM 709 O THR A 44 -0.456 8.253 3.525 1.00 0.00 O ATOM 710 CB THR A 44 0.217 6.409 1.423 1.00 0.00 C ATOM 711 OG1 THR A 44 1.086 5.720 2.328 1.00 0.00 O ATOM 712 CG2 THR A 44 0.328 5.792 0.037 1.00 0.00 C ATOM 0 H THR A 44 2.604 7.469 1.093 1.00 0.00 H new ATOM 0 HA THR A 44 -0.149 8.430 0.762 1.00 0.00 H new ATOM 0 HB THR A 44 -0.813 6.313 1.765 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.994 5.703 1.961 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.071 4.734 0.088 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.356 6.300 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.349 5.900 -0.328 1.00 0.00 H new ATOM 720 N SER A 45 1.565 9.185 3.193 1.00 0.00 N ATOM 721 CA SER A 45 1.634 9.774 4.525 1.00 0.00 C ATOM 722 C SER A 45 1.366 8.722 5.598 1.00 0.00 C ATOM 723 O SER A 45 0.829 9.029 6.664 1.00 0.00 O ATOM 724 CB SER A 45 0.627 10.918 4.654 1.00 0.00 C ATOM 725 OG SER A 45 0.460 11.591 3.418 1.00 0.00 O ATOM 0 H SER A 45 2.378 9.373 2.606 1.00 0.00 H new ATOM 0 HA SER A 45 2.640 10.168 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.333 10.526 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.967 11.623 5.413 1.00 0.00 H new ATOM 0 HG SER A 45 -0.190 12.317 3.526 1.00 0.00 H new ATOM 731 N LEU A 46 1.742 7.482 5.309 1.00 0.00 N ATOM 732 CA LEU A 46 1.543 6.383 6.248 1.00 0.00 C ATOM 733 C LEU A 46 2.862 5.975 6.896 1.00 0.00 C ATOM 734 O LEU A 46 3.935 6.396 6.463 1.00 0.00 O ATOM 735 CB LEU A 46 0.920 5.183 5.533 1.00 0.00 C ATOM 736 CG LEU A 46 -0.547 5.332 5.126 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.885 4.376 3.992 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.459 5.090 6.319 1.00 0.00 C ATOM 0 H LEU A 46 2.187 7.212 4.432 1.00 0.00 H new ATOM 0 HA LEU A 46 0.865 6.724 7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.505 4.975 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.010 4.312 6.182 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.705 6.352 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.932 4.496 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.255 4.596 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.710 3.350 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.499 5.200 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.299 4.082 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.234 5.814 7.102 1.00 0.00 H new ATOM 750 N SER A 47 2.775 5.150 7.935 1.00 0.00 N ATOM 751 CA SER A 47 3.961 4.686 8.644 1.00 0.00 C ATOM 752 C SER A 47 4.496 3.399 8.023 1.00 0.00 C ATOM 753 O SER A 47 3.749 2.635 7.412 1.00 0.00 O ATOM 754 CB SER A 47 3.641 4.457 10.122 1.00 0.00 C ATOM 755 OG SER A 47 3.898 5.622 10.886 1.00 0.00 O ATOM 0 H SER A 47 1.895 4.789 8.304 1.00 0.00 H new ATOM 0 HA SER A 47 4.728 5.456 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.595 4.171 10.231 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.239 3.629 10.503 1.00 0.00 H new ATOM 0 HG SER A 47 3.684 5.450 11.827 1.00 0.00 H new ATOM 761 N GLU A 48 5.796 3.168 8.183 1.00 0.00 N ATOM 762 CA GLU A 48 6.432 1.974 7.637 1.00 0.00 C ATOM 763 C GLU A 48 5.701 0.713 8.090 1.00 0.00 C ATOM 764 O GLU A 48 5.488 -0.209 7.303 1.00 0.00 O ATOM 765 CB GLU A 48 7.899 1.909 8.067 1.00 0.00 C ATOM 766 CG GLU A 48 8.663 3.199 7.821 1.00 0.00 C ATOM 767 CD GLU A 48 10.151 3.053 8.077 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.583 1.940 8.442 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.882 4.052 7.913 1.00 0.00 O ATOM 0 H GLU A 48 6.428 3.791 8.685 1.00 0.00 H new ATOM 0 HA GLU A 48 6.382 2.031 6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.947 1.665 9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.391 1.098 7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.505 3.520 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.262 3.983 8.464 1.00 0.00 H new ATOM 776 N ARG A 49 5.320 0.682 9.362 1.00 0.00 N ATOM 777 CA ARG A 49 4.615 -0.466 9.921 1.00 0.00 C ATOM 778 C ARG A 49 3.222 -0.597 9.312 1.00 0.00 C ATOM 779 O ARG A 49 2.811 -1.685 8.910 1.00 0.00 O ATOM 780 CB ARG A 49 4.508 -0.335 11.441 1.00 0.00 C ATOM 781 CG ARG A 49 3.948 -1.574 12.121 1.00 0.00 C ATOM 782 CD ARG A 49 4.958 -2.711 12.128 1.00 0.00 C ATOM 783 NE ARG A 49 6.021 -2.492 13.105 1.00 0.00 N ATOM 784 CZ ARG A 49 5.883 -2.726 14.405 1.00 0.00 C ATOM 785 NH1 ARG A 49 4.734 -3.183 14.882 1.00 0.00 N ATOM 786 NH2 ARG A 49 6.897 -2.502 15.232 1.00 0.00 N ATOM 0 H ARG A 49 5.487 1.438 10.026 1.00 0.00 H new ATOM 0 HA ARG A 49 5.185 -1.363 9.680 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.496 -0.122 11.849 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.873 0.518 11.680 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.665 -1.331 13.145 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.042 -1.894 11.607 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.448 -3.648 12.351 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.394 -2.815 11.135 1.00 0.00 H new ATOM 0 HE ARG A 49 6.918 -2.140 12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.952 -3.356 14.250 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.632 -3.362 15.881 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.783 -2.150 14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.790 -2.682 16.230 1.00 0.00 H new ATOM 800 N GLN A 50 2.502 0.518 9.247 1.00 0.00 N ATOM 801 CA GLN A 50 1.156 0.527 8.689 1.00 0.00 C ATOM 802 C GLN A 50 1.137 -0.110 7.303 1.00 0.00 C ATOM 803 O GLN A 50 0.420 -1.082 7.066 1.00 0.00 O ATOM 804 CB GLN A 50 0.621 1.958 8.612 1.00 0.00 C ATOM 805 CG GLN A 50 0.314 2.566 9.971 1.00 0.00 C ATOM 806 CD GLN A 50 -0.448 3.872 9.868 1.00 0.00 C ATOM 807 OE1 GLN A 50 0.058 4.931 10.241 1.00 0.00 O ATOM 808 NE2 GLN A 50 -1.673 3.805 9.358 1.00 0.00 N ATOM 0 H GLN A 50 2.829 1.427 9.574 1.00 0.00 H new ATOM 0 HA GLN A 50 0.514 -0.058 9.347 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.352 2.584 8.100 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.285 1.966 8.006 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.267 1.856 10.559 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.247 2.736 10.508 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.053 2.906 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.233 4.652 9.263 1.00 0.00 H new ATOM 817 N ILE A 51 1.929 0.445 6.392 1.00 0.00 N ATOM 818 CA ILE A 51 2.004 -0.069 5.030 1.00 0.00 C ATOM 819 C ILE A 51 2.271 -1.571 5.023 1.00 0.00 C ATOM 820 O ILE A 51 1.650 -2.320 4.269 1.00 0.00 O ATOM 821 CB ILE A 51 3.105 0.640 4.220 1.00 0.00 C ATOM 822 CG1 ILE A 51 2.843 2.147 4.171 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.182 0.065 2.814 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.070 2.964 3.834 1.00 0.00 C ATOM 0 H ILE A 51 2.528 1.251 6.572 1.00 0.00 H new ATOM 0 HA ILE A 51 1.038 0.129 4.565 1.00 0.00 H new ATOM 0 HB ILE A 51 4.063 0.472 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.068 2.349 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.455 2.471 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.965 0.577 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.411 -0.999 2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.225 0.205 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.809 4.022 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.840 2.792 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.447 2.668 2.855 1.00 0.00 H new ATOM 836 N THR A 52 3.199 -2.005 5.871 1.00 0.00 N ATOM 837 CA THR A 52 3.548 -3.417 5.964 1.00 0.00 C ATOM 838 C THR A 52 2.325 -4.265 6.292 1.00 0.00 C ATOM 839 O THR A 52 2.073 -5.283 5.646 1.00 0.00 O ATOM 840 CB THR A 52 4.629 -3.659 7.034 1.00 0.00 C ATOM 841 OG1 THR A 52 5.817 -2.931 6.704 1.00 0.00 O ATOM 842 CG2 THR A 52 4.952 -5.141 7.151 1.00 0.00 C ATOM 0 H THR A 52 3.722 -1.399 6.503 1.00 0.00 H new ATOM 0 HA THR A 52 3.939 -3.711 4.990 1.00 0.00 H new ATOM 0 HB THR A 52 4.245 -3.310 7.993 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.738 -2.011 7.032 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.718 -5.287 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.052 -5.688 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.318 -5.510 6.193 1.00 0.00 H new ATOM 850 N ILE A 53 1.569 -3.840 7.298 1.00 0.00 N ATOM 851 CA ILE A 53 0.371 -4.561 7.710 1.00 0.00 C ATOM 852 C ILE A 53 -0.546 -4.828 6.521 1.00 0.00 C ATOM 853 O ILE A 53 -0.980 -5.959 6.301 1.00 0.00 O ATOM 854 CB ILE A 53 -0.413 -3.784 8.784 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.463 -3.551 10.017 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.681 -4.534 9.162 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.035 -2.361 10.846 1.00 0.00 C ATOM 0 H ILE A 53 1.765 -3.000 7.843 1.00 0.00 H new ATOM 0 HA ILE A 53 0.703 -5.510 8.130 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.697 -2.815 8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.443 -4.444 10.641 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.495 -3.409 9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.224 -3.972 9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.310 -4.652 8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.419 -5.516 9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.700 -2.256 11.703 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.082 -1.458 10.238 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.987 -2.510 11.196 1.00 0.00 H new ATOM 869 N TRP A 54 -0.835 -3.781 5.758 1.00 0.00 N ATOM 870 CA TRP A 54 -1.699 -3.902 4.589 1.00 0.00 C ATOM 871 C TRP A 54 -1.157 -4.944 3.617 1.00 0.00 C ATOM 872 O TRP A 54 -1.897 -5.800 3.133 1.00 0.00 O ATOM 873 CB TRP A 54 -1.833 -2.551 3.885 1.00 0.00 C ATOM 874 CG TRP A 54 -2.847 -2.554 2.781 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.147 -2.144 2.861 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.644 -2.990 1.433 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.765 -2.299 1.644 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.864 -2.815 0.750 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.550 -3.508 0.735 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.018 -3.142 -0.594 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.705 -3.833 -0.600 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.930 -3.648 -1.253 1.00 0.00 C ATOM 0 H TRP A 54 -0.484 -2.838 5.927 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.683 -4.226 4.928 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.107 -1.793 4.619 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.864 -2.264 3.477 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.620 -1.755 3.751 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.737 -2.067 1.439 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.601 -3.652 1.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.962 -3.002 -1.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.867 -4.237 -1.149 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.018 -3.910 -2.297 1.00 0.00 H new ATOM 893 N PHE A 55 0.139 -4.867 3.336 1.00 0.00 N ATOM 894 CA PHE A 55 0.781 -5.803 2.420 1.00 0.00 C ATOM 895 C PHE A 55 0.699 -7.229 2.956 1.00 0.00 C ATOM 896 O PHE A 55 0.681 -8.191 2.188 1.00 0.00 O ATOM 897 CB PHE A 55 2.243 -5.412 2.198 1.00 0.00 C ATOM 898 CG PHE A 55 2.442 -4.457 1.056 1.00 0.00 C ATOM 899 CD1 PHE A 55 1.980 -3.153 1.137 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.090 -4.864 -0.099 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.162 -2.272 0.088 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.275 -3.987 -1.151 1.00 0.00 C ATOM 903 CZ PHE A 55 2.809 -2.690 -1.058 1.00 0.00 C ATOM 0 H PHE A 55 0.766 -4.166 3.730 1.00 0.00 H new ATOM 0 HA PHE A 55 0.253 -5.760 1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.632 -4.961 3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.828 -6.313 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.472 -2.821 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.454 -5.878 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.799 -1.258 0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.784 -4.316 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.950 -2.004 -1.880 1.00 0.00 H new ATOM 913 N GLN A 56 0.651 -7.357 4.278 1.00 0.00 N ATOM 914 CA GLN A 56 0.574 -8.665 4.917 1.00 0.00 C ATOM 915 C GLN A 56 -0.827 -9.253 4.784 1.00 0.00 C ATOM 916 O GLN A 56 -0.998 -10.375 4.309 1.00 0.00 O ATOM 917 CB GLN A 56 0.957 -8.558 6.394 1.00 0.00 C ATOM 918 CG GLN A 56 2.441 -8.314 6.621 1.00 0.00 C ATOM 919 CD GLN A 56 2.740 -7.799 8.015 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.701 -6.594 8.265 1.00 0.00 O ATOM 921 NE2 GLN A 56 3.042 -8.711 8.931 1.00 0.00 N ATOM 0 H GLN A 56 0.664 -6.571 4.927 1.00 0.00 H new ATOM 0 HA GLN A 56 1.277 -9.329 4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.390 -7.747 6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.666 -9.476 6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.988 -9.242 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.804 -7.595 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.062 -9.699 8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.254 -8.424 9.887 1.00 0.00 H new ATOM 930 N ASN A 57 -1.828 -8.487 5.208 1.00 0.00 N ATOM 931 CA ASN A 57 -3.214 -8.933 5.137 1.00 0.00 C ATOM 932 C ASN A 57 -3.615 -9.238 3.697 1.00 0.00 C ATOM 933 O ASN A 57 -4.567 -9.979 3.451 1.00 0.00 O ATOM 934 CB ASN A 57 -4.144 -7.869 5.723 1.00 0.00 C ATOM 935 CG ASN A 57 -4.472 -8.127 7.181 1.00 0.00 C ATOM 936 OD1 ASN A 57 -4.937 -9.208 7.543 1.00 0.00 O ATOM 937 ND2 ASN A 57 -4.230 -7.131 8.027 1.00 0.00 N ATOM 0 H ASN A 57 -1.704 -7.555 5.604 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.305 -9.848 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.677 -6.889 5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.068 -7.840 5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.430 -7.246 9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.844 -6.252 7.683 1.00 0.00 H new ATOM 944 N ARG A 58 -2.882 -8.661 2.750 1.00 0.00 N ATOM 945 CA ARG A 58 -3.161 -8.871 1.335 1.00 0.00 C ATOM 946 C ARG A 58 -2.808 -10.295 0.916 1.00 0.00 C ATOM 947 O ARG A 58 -3.598 -10.972 0.257 1.00 0.00 O ATOM 948 CB ARG A 58 -2.378 -7.868 0.485 1.00 0.00 C ATOM 949 CG ARG A 58 -3.261 -6.933 -0.324 1.00 0.00 C ATOM 950 CD ARG A 58 -4.126 -7.700 -1.312 1.00 0.00 C ATOM 951 NE ARG A 58 -3.718 -7.464 -2.695 1.00 0.00 N ATOM 952 CZ ARG A 58 -4.439 -7.832 -3.747 1.00 0.00 C ATOM 953 NH1 ARG A 58 -5.600 -8.451 -3.576 1.00 0.00 N ATOM 954 NH2 ARG A 58 -4.001 -7.582 -4.974 1.00 0.00 N ATOM 0 H ARG A 58 -2.091 -8.045 2.937 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.228 -8.718 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.737 -7.275 1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.723 -8.414 -0.194 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.897 -6.359 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.639 -6.218 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.067 -8.766 -1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.168 -7.406 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.830 -6.990 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.941 -8.645 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.152 -8.733 -4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.109 -7.106 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.556 -7.865 -5.781 1.00 0.00 H new ATOM 968 N ARG A 59 -1.618 -10.742 1.301 1.00 0.00 N ATOM 969 CA ARG A 59 -1.160 -12.084 0.964 1.00 0.00 C ATOM 970 C ARG A 59 -1.773 -13.119 1.902 1.00 0.00 C ATOM 971 O ARG A 59 -2.282 -14.150 1.460 1.00 0.00 O ATOM 972 CB ARG A 59 0.367 -12.158 1.034 1.00 0.00 C ATOM 973 CG ARG A 59 1.047 -11.985 -0.314 1.00 0.00 C ATOM 974 CD ARG A 59 2.342 -12.778 -0.390 1.00 0.00 C ATOM 975 NE ARG A 59 2.675 -13.151 -1.762 1.00 0.00 N ATOM 976 CZ ARG A 59 1.977 -14.027 -2.476 1.00 0.00 C ATOM 977 NH1 ARG A 59 0.912 -14.616 -1.950 1.00 0.00 N ATOM 978 NH2 ARG A 59 2.343 -14.315 -3.718 1.00 0.00 N ATOM 0 H ARG A 59 -0.953 -10.194 1.847 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.481 -12.305 -0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.729 -11.388 1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.657 -13.120 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.373 -12.309 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.255 -10.929 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.155 -12.187 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.253 -13.678 0.219 1.00 0.00 H new ATOM 0 HE ARG A 59 3.488 -12.715 -2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.627 -14.397 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.377 -15.288 -2.500 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.162 -13.864 -4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.806 -14.988 -4.265 1.00 0.00 H new ATOM 992 N VAL A 60 -1.721 -12.838 3.201 1.00 0.00 N ATOM 993 CA VAL A 60 -2.272 -13.744 4.202 1.00 0.00 C ATOM 994 C VAL A 60 -3.736 -14.058 3.913 1.00 0.00 C ATOM 995 O VAL A 60 -4.244 -15.111 4.298 1.00 0.00 O ATOM 996 CB VAL A 60 -2.155 -13.153 5.619 1.00 0.00 C ATOM 997 CG1 VAL A 60 -2.680 -14.137 6.653 1.00 0.00 C ATOM 998 CG2 VAL A 60 -0.714 -12.769 5.919 1.00 0.00 C ATOM 0 H VAL A 60 -1.303 -11.990 3.584 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.689 -14.664 4.151 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.765 -12.251 5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.589 -13.702 7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.728 -14.357 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.100 -15.059 6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.650 -12.353 6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.080 -13.653 5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.378 -12.025 5.197 1.00 0.00 H new ATOM 1008 N LYS A 61 -4.409 -13.138 3.231 1.00 0.00 N ATOM 1009 CA LYS A 61 -5.815 -13.315 2.888 1.00 0.00 C ATOM 1010 C LYS A 61 -6.036 -14.643 2.169 1.00 0.00 C ATOM 1011 O LYS A 61 -7.111 -15.235 2.258 1.00 0.00 O ATOM 1012 CB LYS A 61 -6.296 -12.160 2.007 1.00 0.00 C ATOM 1013 CG LYS A 61 -7.690 -12.367 1.440 1.00 0.00 C ATOM 1014 CD LYS A 61 -8.212 -11.107 0.770 1.00 0.00 C ATOM 1015 CE LYS A 61 -7.749 -11.013 -0.676 1.00 0.00 C ATOM 1016 NZ LYS A 61 -8.700 -11.680 -1.608 1.00 0.00 N ATOM 0 H LYS A 61 -4.003 -12.261 2.904 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.391 -13.322 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.283 -11.239 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.594 -12.025 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.673 -13.184 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.369 -12.663 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.301 -11.099 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.869 -10.231 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.642 -9.965 -0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.765 -11.471 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.349 -11.594 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.783 -12.686 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.633 -11.227 -1.535 1.00 0.00 H new ATOM 1030 N GLU A 62 -5.011 -15.104 1.459 1.00 0.00 N ATOM 1031 CA GLU A 62 -5.095 -16.362 0.726 1.00 0.00 C ATOM 1032 C GLU A 62 -4.186 -17.417 1.351 1.00 0.00 C ATOM 1033 O GLU A 62 -3.697 -18.316 0.666 1.00 0.00 O ATOM 1034 CB GLU A 62 -4.714 -16.149 -0.741 1.00 0.00 C ATOM 1035 CG GLU A 62 -3.470 -15.297 -0.930 1.00 0.00 C ATOM 1036 CD GLU A 62 -2.988 -15.279 -2.367 1.00 0.00 C ATOM 1037 OE1 GLU A 62 -3.647 -14.631 -3.207 1.00 0.00 O ATOM 1038 OE2 GLU A 62 -1.951 -15.914 -2.653 1.00 0.00 O ATOM 0 H GLU A 62 -4.114 -14.626 1.376 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.124 -16.716 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.554 -17.120 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.549 -15.678 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.681 -14.277 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.674 -15.675 -0.289 1.00 0.00 H new ATOM 1045 N LYS A 63 -3.964 -17.300 2.655 1.00 0.00 N ATOM 1046 CA LYS A 63 -3.116 -18.243 3.375 1.00 0.00 C ATOM 1047 C LYS A 63 -3.793 -18.715 4.657 1.00 0.00 C ATOM 1048 O LYS A 63 -3.736 -19.896 5.003 1.00 0.00 O ATOM 1049 CB LYS A 63 -1.768 -17.598 3.705 1.00 0.00 C ATOM 1050 CG LYS A 63 -1.054 -17.026 2.493 1.00 0.00 C ATOM 1051 CD LYS A 63 -0.463 -18.124 1.624 1.00 0.00 C ATOM 1052 CE LYS A 63 0.877 -18.601 2.164 1.00 0.00 C ATOM 1053 NZ LYS A 63 2.011 -17.810 1.611 1.00 0.00 N ATOM 0 H LYS A 63 -4.360 -16.561 3.236 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.951 -19.108 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.924 -16.802 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.125 -18.341 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.753 -16.432 1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.261 -16.354 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.156 -18.964 1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.336 -17.755 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.878 -18.526 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.014 -19.654 1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.906 -18.166 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.026 -17.902 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.894 -16.809 1.868 1.00 0.00 H new ATOM 1067 N LYS A 64 -4.435 -17.787 5.358 1.00 0.00 N ATOM 1068 CA LYS A 64 -5.127 -18.108 6.601 1.00 0.00 C ATOM 1069 C LYS A 64 -6.639 -18.042 6.415 1.00 0.00 C ATOM 1070 O LYS A 64 -7.166 -17.071 5.873 1.00 0.00 O ATOM 1071 CB LYS A 64 -4.696 -17.147 7.711 1.00 0.00 C ATOM 1072 CG LYS A 64 -5.380 -17.409 9.042 1.00 0.00 C ATOM 1073 CD LYS A 64 -6.673 -16.621 9.170 1.00 0.00 C ATOM 1074 CE LYS A 64 -6.984 -16.293 10.622 1.00 0.00 C ATOM 1075 NZ LYS A 64 -8.450 -16.193 10.866 1.00 0.00 N ATOM 0 H LYS A 64 -4.491 -16.805 5.086 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.858 -19.125 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.617 -17.221 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.908 -16.125 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.591 -18.474 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.707 -17.141 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.596 -15.698 8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.494 -17.195 8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.560 -17.063 11.267 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.506 -15.352 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.621 -15.968 11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.851 -15.442 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.903 -17.099 10.632 1.00 0.00 H new ATOM 1089 N SER A 65 -7.333 -19.081 6.870 1.00 0.00 N ATOM 1090 CA SER A 65 -8.785 -19.141 6.752 1.00 0.00 C ATOM 1091 C SER A 65 -9.446 -19.065 8.125 1.00 0.00 C ATOM 1092 O SER A 65 -8.780 -19.172 9.153 1.00 0.00 O ATOM 1093 CB SER A 65 -9.207 -20.429 6.041 1.00 0.00 C ATOM 1094 OG SER A 65 -10.531 -20.328 5.545 1.00 0.00 O ATOM 0 H SER A 65 -6.913 -19.892 7.324 1.00 0.00 H new ATOM 0 HA SER A 65 -9.112 -18.284 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.522 -20.635 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.137 -21.269 6.732 1.00 0.00 H new ATOM 0 HG SER A 65 -10.776 -21.163 5.094 1.00 0.00 H new ATOM 1100 N GLY A 66 -10.762 -18.879 8.131 1.00 0.00 N ATOM 1101 CA GLY A 66 -11.493 -18.791 9.382 1.00 0.00 C ATOM 1102 C GLY A 66 -11.842 -17.363 9.751 1.00 0.00 C ATOM 1103 O GLY A 66 -11.333 -16.808 10.725 1.00 0.00 O ATOM 0 H GLY A 66 -11.335 -18.788 7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.409 -19.377 9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.896 -19.234 10.180 1.00 0.00 H new ATOM 1107 N PRO A 67 -12.729 -16.743 8.959 1.00 0.00 N ATOM 1108 CA PRO A 67 -13.165 -15.362 9.187 1.00 0.00 C ATOM 1109 C PRO A 67 -14.034 -15.226 10.432 1.00 0.00 C ATOM 1110 O PRO A 67 -14.321 -16.212 11.110 1.00 0.00 O ATOM 1111 CB PRO A 67 -13.975 -15.034 7.930 1.00 0.00 C ATOM 1112 CG PRO A 67 -14.454 -16.354 7.433 1.00 0.00 C ATOM 1113 CD PRO A 67 -13.376 -17.343 7.780 1.00 0.00 C ATOM 0 HA PRO A 67 -12.323 -14.691 9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.809 -14.371 8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.361 -14.529 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.400 -16.627 7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.627 -16.327 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.790 -18.326 8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.672 -17.474 6.959 1.00 0.00 H new ATOM 1121 N SER A 68 -14.450 -13.999 10.727 1.00 0.00 N ATOM 1122 CA SER A 68 -15.284 -13.733 11.893 1.00 0.00 C ATOM 1123 C SER A 68 -16.206 -12.544 11.642 1.00 0.00 C ATOM 1124 O SER A 68 -15.891 -11.657 10.849 1.00 0.00 O ATOM 1125 CB SER A 68 -14.411 -13.467 13.121 1.00 0.00 C ATOM 1126 OG SER A 68 -13.486 -14.521 13.327 1.00 0.00 O ATOM 0 H SER A 68 -14.223 -13.172 10.174 1.00 0.00 H new ATOM 0 HA SER A 68 -15.899 -14.614 12.078 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.874 -12.527 12.993 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.042 -13.355 14.003 1.00 0.00 H new ATOM 0 HG SER A 68 -12.939 -14.327 14.117 1.00 0.00 H new ATOM 1132 N SER A 69 -17.346 -12.533 12.325 1.00 0.00 N ATOM 1133 CA SER A 69 -18.317 -11.455 12.175 1.00 0.00 C ATOM 1134 C SER A 69 -18.528 -10.726 13.499 1.00 0.00 C ATOM 1135 O SER A 69 -18.831 -11.344 14.519 1.00 0.00 O ATOM 1136 CB SER A 69 -19.649 -12.007 11.665 1.00 0.00 C ATOM 1137 OG SER A 69 -20.589 -10.966 11.464 1.00 0.00 O ATOM 0 H SER A 69 -17.620 -13.258 12.988 1.00 0.00 H new ATOM 0 HA SER A 69 -17.925 -10.744 11.448 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.490 -12.543 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 69 -20.046 -12.727 12.381 1.00 0.00 H new ATOM 0 HG SER A 69 -21.431 -11.345 11.136 1.00 0.00 H new ATOM 1143 N GLY A 70 -18.366 -9.406 13.474 1.00 0.00 N ATOM 1144 CA GLY A 70 -18.543 -8.614 14.676 1.00 0.00 C ATOM 1145 C GLY A 70 -17.225 -8.160 15.271 1.00 0.00 C ATOM 1146 O GLY A 70 -16.904 -8.492 16.412 1.00 0.00 O ATOM 0 H GLY A 70 -18.115 -8.872 12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.154 -7.741 14.445 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.090 -9.199 15.416 1.00 0.00 H new TER 1150 GLY A 70