USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 89 ZNZN :(H bumps) USER MOD Set 1.1: A 6 THR OG1 : rot 28:sc= 0.64 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.156 X(o=0.8,f=0.4) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.179 X(o=0.19,f=0.67) USER MOD Set 2.2: A 39 SER OG : rot -170:sc= 0.37 USER MOD Single : A 1 ALA N :NH3+ 139:sc= 0.707 (180deg=0.212) USER MOD Single : A 3 THR OG1 : rot 130:sc= -0.223 USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= 0.331 (180deg=-1.94!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.056) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 177:sc= 0 (180deg=-0.00784) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.339 X(o=0.34,f=-0.081) USER MOD Single : A 38 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.5!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 54 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.057) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.00914 X(o=0.0091,f=0) USER MOD Single : A 71 HIS : no HD1:sc=-0.00632 X(o=-0.0063,f=-0.26) USER MOD Single : A 74 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.9!) USER MOD Single : A 75 SER OG : rot 78:sc= 0.0596 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.592 -2.601 9.021 1.00 0.00 N ATOM 2 CA ALA A 1 -0.833 -2.431 7.751 1.00 0.00 C ATOM 3 C ALA A 1 -0.843 -0.973 7.296 1.00 0.00 C ATOM 4 O ALA A 1 -1.889 -0.321 7.293 1.00 0.00 O ATOM 5 CB ALA A 1 -1.410 -3.322 6.662 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.156 -3.474 8.974 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.926 -2.661 9.818 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.224 -1.787 9.159 1.00 0.00 H new ATOM 0 HA ALA A 1 0.200 -2.725 7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.843 -3.185 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.348 -4.365 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.453 -3.056 6.489 1.00 0.00 H new ATOM 13 N ARG A 2 0.329 -0.465 6.913 1.00 0.00 N ATOM 14 CA ARG A 2 0.451 0.917 6.456 1.00 0.00 C ATOM 15 C ARG A 2 -0.263 1.109 5.118 1.00 0.00 C ATOM 16 O ARG A 2 0.163 0.571 4.093 1.00 0.00 O ATOM 17 CB ARG A 2 1.924 1.317 6.326 1.00 0.00 C ATOM 18 CG ARG A 2 2.487 1.996 7.569 1.00 0.00 C ATOM 19 CD ARG A 2 3.999 2.136 7.488 1.00 0.00 C ATOM 20 NE ARG A 2 4.650 0.869 7.159 1.00 0.00 N ATOM 21 CZ ARG A 2 5.843 0.771 6.572 1.00 0.00 C ATOM 22 NH1 ARG A 2 6.558 1.861 6.308 1.00 0.00 N ATOM 23 NH2 ARG A 2 6.328 -0.423 6.263 1.00 0.00 N ATOM 0 H ARG A 2 1.204 -0.989 6.911 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.021 1.559 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.515 0.427 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.035 1.988 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.035 2.981 7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.220 1.418 8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.254 2.881 6.734 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.381 2.503 8.441 1.00 0.00 H new ATOM 0 HE ARG A 2 4.160 0.005 7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.195 2.782 6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.470 1.776 5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.789 -1.263 6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.240 -0.502 5.814 1.00 0.00 H new ATOM 37 N THR A 3 -1.351 1.875 5.139 1.00 0.00 N ATOM 38 CA THR A 3 -2.132 2.138 3.934 1.00 0.00 C ATOM 39 C THR A 3 -2.085 3.618 3.568 1.00 0.00 C ATOM 40 O THR A 3 -2.454 4.477 4.374 1.00 0.00 O ATOM 41 CB THR A 3 -3.589 1.699 4.133 1.00 0.00 C ATOM 42 OG1 THR A 3 -3.667 0.570 4.987 1.00 0.00 O ATOM 43 CG2 THR A 3 -4.292 1.346 2.840 1.00 0.00 C ATOM 0 H THR A 3 -1.712 2.325 5.980 1.00 0.00 H new ATOM 0 HA THR A 3 -1.694 1.563 3.118 1.00 0.00 H new ATOM 0 HB THR A 3 -4.088 2.561 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.327 0.738 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.317 1.045 3.054 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.299 2.214 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.767 0.525 2.353 1.00 0.00 H new ATOM 51 N LYS A 4 -1.639 3.913 2.349 1.00 0.00 N ATOM 52 CA LYS A 4 -1.555 5.291 1.876 1.00 0.00 C ATOM 53 C LYS A 4 -2.619 5.554 0.813 1.00 0.00 C ATOM 54 O LYS A 4 -2.743 4.802 -0.155 1.00 0.00 O ATOM 55 CB LYS A 4 -0.161 5.584 1.315 1.00 0.00 C ATOM 56 CG LYS A 4 0.081 7.057 1.013 1.00 0.00 C ATOM 57 CD LYS A 4 0.911 7.236 -0.248 1.00 0.00 C ATOM 58 CE LYS A 4 1.403 8.667 -0.397 1.00 0.00 C ATOM 59 NZ LYS A 4 2.559 8.957 0.497 1.00 0.00 N ATOM 0 H LYS A 4 -1.330 3.216 1.672 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.734 5.956 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.588 5.241 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.018 5.007 0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.875 7.568 0.897 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.591 7.524 1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.764 6.558 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.314 6.963 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.693 8.845 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.589 9.355 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.167 9.677 0.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.211 9.310 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.108 8.087 0.649 1.00 0.00 H new ATOM 73 N GLN A 5 -3.388 6.624 1.007 1.00 0.00 N ATOM 74 CA GLN A 5 -4.449 6.986 0.074 1.00 0.00 C ATOM 75 C GLN A 5 -4.077 8.235 -0.719 1.00 0.00 C ATOM 76 O GLN A 5 -3.843 9.302 -0.148 1.00 0.00 O ATOM 77 CB GLN A 5 -5.760 7.219 0.835 1.00 0.00 C ATOM 78 CG GLN A 5 -6.938 7.570 -0.062 1.00 0.00 C ATOM 79 CD GLN A 5 -7.293 9.045 -0.009 1.00 0.00 C ATOM 80 OE1 GLN A 5 -7.277 9.662 1.056 1.00 0.00 O ATOM 81 NE2 GLN A 5 -7.619 9.618 -1.162 1.00 0.00 N ATOM 0 H GLN A 5 -3.295 7.255 1.803 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.582 6.163 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.003 6.321 1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.612 8.023 1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.702 7.294 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.805 6.980 0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.619 9.069 -2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.869 10.607 -1.188 1.00 0.00 H new ATOM 90 N THR A 6 -4.024 8.092 -2.043 1.00 0.00 N ATOM 91 CA THR A 6 -3.680 9.203 -2.925 1.00 0.00 C ATOM 92 C THR A 6 -4.829 9.506 -3.886 1.00 0.00 C ATOM 93 O THR A 6 -5.227 8.654 -4.684 1.00 0.00 O ATOM 94 CB THR A 6 -2.398 8.886 -3.704 1.00 0.00 C ATOM 95 OG1 THR A 6 -2.599 7.800 -4.594 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.230 8.532 -2.808 1.00 0.00 C ATOM 0 H THR A 6 -4.216 7.215 -2.528 1.00 0.00 H new ATOM 0 HA THR A 6 -3.506 10.088 -2.313 1.00 0.00 H new ATOM 0 HB THR A 6 -2.160 9.800 -4.249 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.541 7.768 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.354 8.318 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.014 9.369 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.480 7.653 -2.214 1.00 0.00 H new ATOM 104 N ALA A 7 -5.362 10.724 -3.798 1.00 0.00 N ATOM 105 CA ALA A 7 -6.470 11.143 -4.652 1.00 0.00 C ATOM 106 C ALA A 7 -5.980 11.993 -5.823 1.00 0.00 C ATOM 107 O ALA A 7 -4.879 12.545 -5.785 1.00 0.00 O ATOM 108 CB ALA A 7 -7.504 11.906 -3.836 1.00 0.00 C ATOM 0 H ALA A 7 -5.043 11.438 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.935 10.247 -5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.325 12.213 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.888 11.264 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.040 12.789 -3.395 1.00 0.00 H new ATOM 114 N ARG A 8 -6.811 12.091 -6.859 1.00 0.00 N ATOM 115 CA ARG A 8 -6.473 12.871 -8.045 1.00 0.00 C ATOM 116 C ARG A 8 -7.661 13.719 -8.498 1.00 0.00 C ATOM 117 O ARG A 8 -8.635 13.196 -9.046 1.00 0.00 O ATOM 118 CB ARG A 8 -6.022 11.948 -9.180 1.00 0.00 C ATOM 119 CG ARG A 8 -4.564 11.524 -9.075 1.00 0.00 C ATOM 120 CD ARG A 8 -3.632 12.567 -9.676 1.00 0.00 C ATOM 121 NE ARG A 8 -3.005 12.094 -10.910 1.00 0.00 N ATOM 122 CZ ARG A 8 -3.506 12.295 -12.134 1.00 0.00 C ATOM 123 NH1 ARG A 8 -4.638 12.976 -12.300 1.00 0.00 N ATOM 124 NH2 ARG A 8 -2.871 11.814 -13.195 1.00 0.00 N ATOM 0 H ARG A 8 -7.724 11.639 -6.900 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.652 13.540 -7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.651 11.058 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.177 12.454 -10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.305 11.364 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.424 10.572 -9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.192 13.479 -9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.859 12.823 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.129 11.577 -10.832 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.132 13.350 -11.490 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.012 13.124 -13.238 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.003 11.292 -13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.251 11.966 -14.129 1.00 0.00 H new ATOM 138 N LYS A 9 -7.569 15.028 -8.266 1.00 0.00 N ATOM 139 CA LYS A 9 -8.630 15.956 -8.650 1.00 0.00 C ATOM 140 C LYS A 9 -8.048 17.298 -9.095 1.00 0.00 C ATOM 141 O LYS A 9 -8.175 17.679 -10.258 1.00 0.00 O ATOM 142 CB LYS A 9 -9.609 16.163 -7.489 1.00 0.00 C ATOM 143 CG LYS A 9 -11.060 16.293 -7.927 1.00 0.00 C ATOM 144 CD LYS A 9 -11.848 17.201 -6.993 1.00 0.00 C ATOM 145 CE LYS A 9 -12.058 16.556 -5.629 1.00 0.00 C ATOM 146 NZ LYS A 9 -13.289 15.714 -5.586 1.00 0.00 N ATOM 0 H LYS A 9 -6.769 15.470 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.170 15.521 -9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.521 15.325 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.323 17.060 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.100 16.690 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.523 15.306 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.319 18.146 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.815 17.432 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.192 15.942 -5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.125 17.334 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.391 15.296 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.120 16.303 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.215 14.955 -6.293 1.00 0.00 H new ATOM 160 N SER A 10 -7.408 18.011 -8.163 1.00 0.00 N ATOM 161 CA SER A 10 -6.809 19.310 -8.468 1.00 0.00 C ATOM 162 C SER A 10 -5.523 19.523 -7.669 1.00 0.00 C ATOM 163 O SER A 10 -5.519 20.225 -6.656 1.00 0.00 O ATOM 164 CB SER A 10 -7.802 20.441 -8.173 1.00 0.00 C ATOM 165 OG SER A 10 -9.099 20.127 -8.652 1.00 0.00 O ATOM 0 H SER A 10 -7.293 17.710 -7.195 1.00 0.00 H new ATOM 0 HA SER A 10 -6.561 19.323 -9.529 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.843 20.621 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.454 21.364 -8.638 1.00 0.00 H new ATOM 0 HG SER A 10 -9.711 20.865 -8.448 1.00 0.00 H new ATOM 171 N THR A 11 -4.435 18.917 -8.134 1.00 0.00 N ATOM 172 CA THR A 11 -3.142 19.043 -7.464 1.00 0.00 C ATOM 173 C THR A 11 -2.370 20.262 -7.974 1.00 0.00 C ATOM 174 O THR A 11 -1.634 20.898 -7.216 1.00 0.00 O ATOM 175 CB THR A 11 -2.309 17.773 -7.662 1.00 0.00 C ATOM 176 OG1 THR A 11 -3.126 16.614 -7.569 1.00 0.00 O ATOM 177 CG2 THR A 11 -1.190 17.629 -6.652 1.00 0.00 C ATOM 0 H THR A 11 -4.421 18.334 -8.971 1.00 0.00 H new ATOM 0 HA THR A 11 -3.331 19.180 -6.399 1.00 0.00 H new ATOM 0 HB THR A 11 -1.871 17.867 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.575 15.814 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.639 16.709 -6.848 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.515 18.481 -6.733 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.610 17.593 -5.647 1.00 0.00 H new ATOM 185 N GLY A 12 -2.542 20.585 -9.258 1.00 0.00 N ATOM 186 CA GLY A 12 -1.855 21.728 -9.837 1.00 0.00 C ATOM 187 C GLY A 12 -1.775 21.657 -11.348 1.00 0.00 C ATOM 188 O GLY A 12 -0.897 20.988 -11.898 1.00 0.00 O ATOM 0 H GLY A 12 -3.144 20.075 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.372 22.643 -9.547 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.847 21.788 -9.426 1.00 0.00 H new ATOM 192 N GLY A 13 -2.689 22.356 -12.024 1.00 0.00 N ATOM 193 CA GLY A 13 -2.701 22.362 -13.476 1.00 0.00 C ATOM 194 C GLY A 13 -1.935 23.539 -14.063 1.00 0.00 C ATOM 195 O GLY A 13 -2.286 24.042 -15.131 1.00 0.00 O ATOM 0 H GLY A 13 -3.421 22.918 -11.589 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.267 21.432 -13.843 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.732 22.393 -13.827 1.00 0.00 H new ATOM 199 N SER A 14 -0.886 23.973 -13.363 1.00 0.00 N ATOM 200 CA SER A 14 -0.062 25.092 -13.816 1.00 0.00 C ATOM 201 C SER A 14 1.362 24.965 -13.281 1.00 0.00 C ATOM 202 O SER A 14 2.328 25.057 -14.040 1.00 0.00 O ATOM 203 CB SER A 14 -0.674 26.423 -13.371 1.00 0.00 C ATOM 204 OG SER A 14 -0.450 27.438 -14.338 1.00 0.00 O ATOM 0 H SER A 14 -0.587 23.564 -12.478 1.00 0.00 H new ATOM 0 HA SER A 14 -0.027 25.068 -14.905 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.745 26.299 -13.211 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.242 26.724 -12.417 1.00 0.00 H new ATOM 0 HG SER A 14 -0.852 28.277 -14.031 1.00 0.00 H new ATOM 210 N SER A 15 1.488 24.749 -11.971 1.00 0.00 N ATOM 211 CA SER A 15 2.797 24.604 -11.338 1.00 0.00 C ATOM 212 C SER A 15 2.977 23.196 -10.766 1.00 0.00 C ATOM 213 O SER A 15 3.846 22.446 -11.214 1.00 0.00 O ATOM 214 CB SER A 15 2.973 25.653 -10.236 1.00 0.00 C ATOM 215 OG SER A 15 2.906 26.965 -10.769 1.00 0.00 O ATOM 0 H SER A 15 0.699 24.671 -11.329 1.00 0.00 H new ATOM 0 HA SER A 15 3.562 24.761 -12.099 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.199 25.524 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.932 25.507 -9.739 1.00 0.00 H new ATOM 0 HG SER A 15 3.019 27.618 -10.047 1.00 0.00 H new ATOM 221 N GLY A 16 2.153 22.845 -9.778 1.00 0.00 N ATOM 222 CA GLY A 16 2.240 21.529 -9.161 1.00 0.00 C ATOM 223 C GLY A 16 2.700 21.593 -7.715 1.00 0.00 C ATOM 224 O GLY A 16 3.388 22.534 -7.318 1.00 0.00 O ATOM 0 H GLY A 16 1.426 23.449 -9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.265 21.045 -9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.931 20.909 -9.732 1.00 0.00 H new ATOM 228 N SER A 17 2.318 20.587 -6.926 1.00 0.00 N ATOM 229 CA SER A 17 2.695 20.532 -5.514 1.00 0.00 C ATOM 230 C SER A 17 4.030 19.812 -5.330 1.00 0.00 C ATOM 231 O SER A 17 4.070 18.630 -4.984 1.00 0.00 O ATOM 232 CB SER A 17 1.605 19.833 -4.698 1.00 0.00 C ATOM 233 OG SER A 17 0.654 20.763 -4.212 1.00 0.00 O ATOM 0 H SER A 17 1.749 19.801 -7.241 1.00 0.00 H new ATOM 0 HA SER A 17 2.806 21.555 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.105 19.088 -5.317 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.058 19.301 -3.861 1.00 0.00 H new ATOM 0 HG SER A 17 -0.032 20.290 -3.696 1.00 0.00 H new ATOM 239 N SER A 18 5.125 20.534 -5.563 1.00 0.00 N ATOM 240 CA SER A 18 6.463 19.966 -5.423 1.00 0.00 C ATOM 241 C SER A 18 7.077 20.347 -4.076 1.00 0.00 C ATOM 242 O SER A 18 7.883 21.277 -3.988 1.00 0.00 O ATOM 243 CB SER A 18 7.360 20.436 -6.572 1.00 0.00 C ATOM 244 OG SER A 18 6.742 20.213 -7.829 1.00 0.00 O ATOM 0 H SER A 18 5.111 21.513 -5.849 1.00 0.00 H new ATOM 0 HA SER A 18 6.381 18.880 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.580 21.497 -6.455 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.312 19.907 -6.533 1.00 0.00 H new ATOM 0 HG SER A 18 7.335 20.523 -8.545 1.00 0.00 H new ATOM 250 N GLN A 19 6.684 19.625 -3.024 1.00 0.00 N ATOM 251 CA GLN A 19 7.190 19.889 -1.676 1.00 0.00 C ATOM 252 C GLN A 19 8.472 19.099 -1.402 1.00 0.00 C ATOM 253 O GLN A 19 8.913 18.306 -2.235 1.00 0.00 O ATOM 254 CB GLN A 19 6.123 19.538 -0.635 1.00 0.00 C ATOM 255 CG GLN A 19 4.923 20.471 -0.658 1.00 0.00 C ATOM 256 CD GLN A 19 3.635 19.772 -0.265 1.00 0.00 C ATOM 257 OE1 GLN A 19 3.190 18.843 -0.940 1.00 0.00 O ATOM 258 NE2 GLN A 19 3.029 20.214 0.830 1.00 0.00 N ATOM 0 H GLN A 19 6.018 18.854 -3.080 1.00 0.00 H new ATOM 0 HA GLN A 19 7.425 20.951 -1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.782 18.517 -0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.573 19.562 0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.102 21.304 0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.814 20.892 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.433 20.987 1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.160 19.781 1.142 1.00 0.00 H new ATOM 267 N SER A 20 9.066 19.322 -0.229 1.00 0.00 N ATOM 268 CA SER A 20 10.298 18.632 0.148 1.00 0.00 C ATOM 269 C SER A 20 10.017 17.181 0.547 1.00 0.00 C ATOM 270 O SER A 20 10.403 16.252 -0.164 1.00 0.00 O ATOM 271 CB SER A 20 11.000 19.371 1.291 1.00 0.00 C ATOM 272 OG SER A 20 10.149 19.504 2.417 1.00 0.00 O ATOM 0 H SER A 20 8.715 19.973 0.473 1.00 0.00 H new ATOM 0 HA SER A 20 10.957 18.624 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.903 18.831 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.314 20.358 0.951 1.00 0.00 H new ATOM 0 HG SER A 20 10.624 19.978 3.132 1.00 0.00 H new ATOM 278 N LEU A 21 9.342 16.991 1.683 1.00 0.00 N ATOM 279 CA LEU A 21 9.008 15.654 2.170 1.00 0.00 C ATOM 280 C LEU A 21 7.831 15.702 3.141 1.00 0.00 C ATOM 281 O LEU A 21 7.982 16.112 4.294 1.00 0.00 O ATOM 282 CB LEU A 21 10.223 15.008 2.848 1.00 0.00 C ATOM 283 CG LEU A 21 10.702 13.700 2.212 1.00 0.00 C ATOM 284 CD1 LEU A 21 12.181 13.481 2.491 1.00 0.00 C ATOM 285 CD2 LEU A 21 9.880 12.525 2.727 1.00 0.00 C ATOM 0 H LEU A 21 9.016 17.749 2.283 1.00 0.00 H new ATOM 0 HA LEU A 21 8.720 15.048 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.047 15.722 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.978 14.818 3.893 1.00 0.00 H new ATOM 0 HG LEU A 21 10.564 13.770 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.504 12.547 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.756 14.308 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 21 12.345 13.431 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.234 11.603 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.987 12.453 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.830 12.677 2.476 1.00 0.00 H new ATOM 297 N ILE A 22 6.656 15.286 2.668 1.00 0.00 N ATOM 298 CA ILE A 22 5.448 15.283 3.494 1.00 0.00 C ATOM 299 C ILE A 22 5.026 13.859 3.871 1.00 0.00 C ATOM 300 O ILE A 22 4.527 13.627 4.974 1.00 0.00 O ATOM 301 CB ILE A 22 4.271 16.007 2.795 1.00 0.00 C ATOM 302 CG1 ILE A 22 3.887 15.300 1.490 1.00 0.00 C ATOM 303 CG2 ILE A 22 4.629 17.464 2.528 1.00 0.00 C ATOM 304 CD1 ILE A 22 2.716 14.353 1.639 1.00 0.00 C ATOM 0 H ILE A 22 6.515 14.947 1.717 1.00 0.00 H new ATOM 0 HA ILE A 22 5.697 15.827 4.405 1.00 0.00 H new ATOM 0 HB ILE A 22 3.409 15.975 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.644 16.050 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.749 14.744 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.792 17.960 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.844 17.965 3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.507 17.511 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.499 13.888 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.963 13.581 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.841 14.907 1.979 1.00 0.00 H new ATOM 316 N ASP A 23 5.228 12.910 2.952 1.00 0.00 N ATOM 317 CA ASP A 23 4.870 11.512 3.190 1.00 0.00 C ATOM 318 C ASP A 23 5.687 10.581 2.292 1.00 0.00 C ATOM 319 O ASP A 23 6.264 11.020 1.294 1.00 0.00 O ATOM 320 CB ASP A 23 3.372 11.298 2.952 1.00 0.00 C ATOM 321 CG ASP A 23 2.790 10.212 3.839 1.00 0.00 C ATOM 322 OD1 ASP A 23 2.750 10.408 5.071 1.00 0.00 O ATOM 323 OD2 ASP A 23 2.371 9.168 3.299 1.00 0.00 O ATOM 0 H ASP A 23 5.638 13.087 2.035 1.00 0.00 H new ATOM 0 HA ASP A 23 5.099 11.274 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.842 12.233 3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.208 11.036 1.907 1.00 0.00 H new ATOM 328 N GLU A 24 5.737 9.298 2.654 1.00 0.00 N ATOM 329 CA GLU A 24 6.493 8.311 1.882 1.00 0.00 C ATOM 330 C GLU A 24 5.594 7.567 0.895 1.00 0.00 C ATOM 331 O GLU A 24 4.895 6.622 1.266 1.00 0.00 O ATOM 332 CB GLU A 24 7.184 7.314 2.817 1.00 0.00 C ATOM 333 CG GLU A 24 8.611 6.982 2.407 1.00 0.00 C ATOM 334 CD GLU A 24 9.112 5.690 3.023 1.00 0.00 C ATOM 335 OE1 GLU A 24 9.187 5.615 4.268 1.00 0.00 O ATOM 336 OE2 GLU A 24 9.426 4.752 2.259 1.00 0.00 O ATOM 0 H GLU A 24 5.264 8.919 3.475 1.00 0.00 H new ATOM 0 HA GLU A 24 7.251 8.848 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.191 7.722 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.601 6.394 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.664 6.906 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.269 7.799 2.702 1.00 0.00 H new ATOM 343 N ASP A 25 5.613 8.005 -0.364 1.00 0.00 N ATOM 344 CA ASP A 25 4.800 7.385 -1.411 1.00 0.00 C ATOM 345 C ASP A 25 5.348 6.008 -1.801 1.00 0.00 C ATOM 346 O ASP A 25 6.486 5.667 -1.478 1.00 0.00 O ATOM 347 CB ASP A 25 4.744 8.289 -2.646 1.00 0.00 C ATOM 348 CG ASP A 25 3.990 9.578 -2.385 1.00 0.00 C ATOM 349 OD1 ASP A 25 4.388 10.327 -1.466 1.00 0.00 O ATOM 350 OD2 ASP A 25 2.993 9.834 -3.092 1.00 0.00 O ATOM 0 H ASP A 25 6.183 8.788 -0.684 1.00 0.00 H new ATOM 0 HA ASP A 25 3.793 7.252 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.759 8.524 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.266 7.751 -3.465 1.00 0.00 H new ATOM 355 N ALA A 26 4.523 5.224 -2.497 1.00 0.00 N ATOM 356 CA ALA A 26 4.910 3.883 -2.937 1.00 0.00 C ATOM 357 C ALA A 26 4.471 3.622 -4.380 1.00 0.00 C ATOM 358 O ALA A 26 3.886 4.491 -5.028 1.00 0.00 O ATOM 359 CB ALA A 26 4.318 2.833 -2.006 1.00 0.00 C ATOM 0 H ALA A 26 3.578 5.497 -2.769 1.00 0.00 H new ATOM 0 HA ALA A 26 5.997 3.818 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.613 1.839 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.686 2.996 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.231 2.911 -2.014 1.00 0.00 H new ATOM 365 N VAL A 27 4.758 2.415 -4.876 1.00 0.00 N ATOM 366 CA VAL A 27 4.394 2.031 -6.240 1.00 0.00 C ATOM 367 C VAL A 27 3.817 0.615 -6.278 1.00 0.00 C ATOM 368 O VAL A 27 4.506 -0.355 -5.955 1.00 0.00 O ATOM 369 CB VAL A 27 5.605 2.115 -7.196 1.00 0.00 C ATOM 370 CG1 VAL A 27 6.055 3.560 -7.364 1.00 0.00 C ATOM 371 CG2 VAL A 27 6.755 1.247 -6.697 1.00 0.00 C ATOM 0 H VAL A 27 5.242 1.687 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 27 3.634 2.737 -6.575 1.00 0.00 H new ATOM 0 HB VAL A 27 5.295 1.736 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.909 3.599 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.237 4.150 -7.777 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.342 3.967 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.595 1.324 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.065 1.587 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.428 0.209 -6.637 1.00 0.00 H new ATOM 381 N CYS A 28 2.545 0.505 -6.664 1.00 0.00 N ATOM 382 CA CYS A 28 1.872 -0.791 -6.733 1.00 0.00 C ATOM 383 C CYS A 28 2.509 -1.700 -7.786 1.00 0.00 C ATOM 384 O CYS A 28 3.058 -1.228 -8.784 1.00 0.00 O ATOM 385 CB CYS A 28 0.383 -0.598 -7.021 1.00 0.00 C ATOM 386 SG CYS A 28 -0.499 -2.136 -7.432 1.00 0.00 S ATOM 0 H CYS A 28 1.962 1.297 -6.933 1.00 0.00 H new ATOM 0 HA CYS A 28 1.985 -1.279 -5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.089 -0.143 -6.150 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.272 0.104 -7.847 1.00 0.00 H new ATOM 391 N SER A 29 2.433 -3.010 -7.542 1.00 0.00 N ATOM 392 CA SER A 29 3.004 -4.006 -8.450 1.00 0.00 C ATOM 393 C SER A 29 1.945 -4.619 -9.369 1.00 0.00 C ATOM 394 O SER A 29 2.230 -4.922 -10.527 1.00 0.00 O ATOM 395 CB SER A 29 3.689 -5.114 -7.648 1.00 0.00 C ATOM 396 OG SER A 29 4.831 -4.623 -6.966 1.00 0.00 O ATOM 0 H SER A 29 1.979 -3.407 -6.719 1.00 0.00 H new ATOM 0 HA SER A 29 3.734 -3.494 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.986 -5.534 -6.929 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.982 -5.923 -8.317 1.00 0.00 H new ATOM 0 HG SER A 29 5.248 -5.351 -6.460 1.00 0.00 H new ATOM 402 N ILE A 30 0.723 -4.801 -8.856 1.00 0.00 N ATOM 403 CA ILE A 30 -0.357 -5.379 -9.652 1.00 0.00 C ATOM 404 C ILE A 30 -0.777 -4.434 -10.779 1.00 0.00 C ATOM 405 O ILE A 30 -1.303 -4.875 -11.802 1.00 0.00 O ATOM 406 CB ILE A 30 -1.589 -5.715 -8.775 1.00 0.00 C ATOM 407 CG1 ILE A 30 -1.328 -6.978 -7.947 1.00 0.00 C ATOM 408 CG2 ILE A 30 -2.839 -5.896 -9.634 1.00 0.00 C ATOM 409 CD1 ILE A 30 -0.823 -6.697 -6.547 1.00 0.00 C ATOM 0 H ILE A 30 0.462 -4.558 -7.901 1.00 0.00 H new ATOM 0 HA ILE A 30 0.026 -6.303 -10.086 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.759 -4.879 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.250 -7.555 -7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.599 -7.599 -8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.689 -6.131 -8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.041 -4.975 -10.182 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.680 -6.711 -10.340 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.661 -7.639 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.116 -6.147 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.560 -6.103 -6.007 1.00 0.00 H new ATOM 421 N CYS A 31 -0.555 -3.133 -10.582 1.00 0.00 N ATOM 422 CA CYS A 31 -0.929 -2.136 -11.575 1.00 0.00 C ATOM 423 C CYS A 31 0.033 -0.947 -11.562 1.00 0.00 C ATOM 424 O CYS A 31 0.583 -0.595 -10.518 1.00 0.00 O ATOM 425 CB CYS A 31 -2.366 -1.676 -11.314 1.00 0.00 C ATOM 426 SG CYS A 31 -2.520 -0.358 -10.061 1.00 0.00 S ATOM 0 H CYS A 31 -0.118 -2.750 -9.743 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.868 -2.588 -12.565 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.797 -1.322 -12.251 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.957 -2.534 -10.995 1.00 0.00 H new ATOM 431 N MET A 32 0.229 -0.334 -12.732 1.00 0.00 N ATOM 432 CA MET A 32 1.122 0.818 -12.860 1.00 0.00 C ATOM 433 C MET A 32 0.326 2.126 -12.863 1.00 0.00 C ATOM 434 O MET A 32 0.693 3.086 -13.543 1.00 0.00 O ATOM 435 CB MET A 32 1.957 0.707 -14.146 1.00 0.00 C ATOM 436 CG MET A 32 3.338 0.103 -13.932 1.00 0.00 C ATOM 437 SD MET A 32 4.630 1.355 -13.790 1.00 0.00 S ATOM 438 CE MET A 32 4.811 1.455 -12.010 1.00 0.00 C ATOM 0 H MET A 32 -0.219 -0.617 -13.604 1.00 0.00 H new ATOM 0 HA MET A 32 1.793 0.824 -12.001 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.413 0.100 -14.870 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.068 1.700 -14.582 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.328 -0.507 -13.029 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.572 -0.562 -14.763 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.613 2.151 -11.764 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.878 1.806 -11.569 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.052 0.469 -11.613 1.00 0.00 H new ATOM 448 N ASP A 33 -0.769 2.154 -12.096 1.00 0.00 N ATOM 449 CA ASP A 33 -1.628 3.336 -12.007 1.00 0.00 C ATOM 450 C ASP A 33 -2.122 3.770 -13.391 1.00 0.00 C ATOM 451 O ASP A 33 -2.342 4.957 -13.639 1.00 0.00 O ATOM 452 CB ASP A 33 -0.883 4.489 -11.323 1.00 0.00 C ATOM 453 CG ASP A 33 -1.062 4.499 -9.813 1.00 0.00 C ATOM 454 OD1 ASP A 33 -1.280 3.416 -9.226 1.00 0.00 O ATOM 455 OD2 ASP A 33 -0.979 5.593 -9.216 1.00 0.00 O ATOM 0 H ASP A 33 -1.081 1.367 -11.526 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.498 3.072 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.179 4.417 -11.557 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.236 5.436 -11.732 1.00 0.00 H new ATOM 460 N GLY A 34 -2.306 2.797 -14.290 1.00 0.00 N ATOM 461 CA GLY A 34 -2.785 3.099 -15.629 1.00 0.00 C ATOM 462 C GLY A 34 -4.228 3.575 -15.634 1.00 0.00 C ATOM 463 O GLY A 34 -4.619 4.379 -16.482 1.00 0.00 O ATOM 0 H GLY A 34 -2.131 1.808 -14.112 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.151 3.865 -16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.696 2.210 -16.253 1.00 0.00 H new ATOM 467 N GLU A 35 -5.020 3.082 -14.680 1.00 0.00 N ATOM 468 CA GLU A 35 -6.424 3.467 -14.571 1.00 0.00 C ATOM 469 C GLU A 35 -6.558 4.797 -13.833 1.00 0.00 C ATOM 470 O GLU A 35 -6.049 4.955 -12.720 1.00 0.00 O ATOM 471 CB GLU A 35 -7.233 2.378 -13.853 1.00 0.00 C ATOM 472 CG GLU A 35 -6.647 1.963 -12.506 1.00 0.00 C ATOM 473 CD GLU A 35 -7.592 1.117 -11.670 1.00 0.00 C ATOM 474 OE1 GLU A 35 -8.823 1.268 -11.817 1.00 0.00 O ATOM 475 OE2 GLU A 35 -7.096 0.303 -10.861 1.00 0.00 O ATOM 0 H GLU A 35 -4.711 2.415 -13.973 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.823 3.584 -15.579 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.251 2.736 -13.701 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.296 1.501 -14.497 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.726 1.405 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.379 2.858 -11.944 1.00 0.00 H new ATOM 482 N SER A 36 -7.240 5.753 -14.460 1.00 0.00 N ATOM 483 CA SER A 36 -7.436 7.070 -13.861 1.00 0.00 C ATOM 484 C SER A 36 -8.530 7.023 -12.796 1.00 0.00 C ATOM 485 O SER A 36 -9.705 7.275 -13.081 1.00 0.00 O ATOM 486 CB SER A 36 -7.775 8.107 -14.939 1.00 0.00 C ATOM 487 OG SER A 36 -6.818 9.153 -14.957 1.00 0.00 O ATOM 0 H SER A 36 -7.665 5.640 -15.380 1.00 0.00 H new ATOM 0 HA SER A 36 -6.505 7.368 -13.379 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.809 7.624 -15.915 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.767 8.520 -14.753 1.00 0.00 H new ATOM 0 HG SER A 36 -7.054 9.801 -15.653 1.00 0.00 H new ATOM 493 N GLN A 37 -8.132 6.693 -11.568 1.00 0.00 N ATOM 494 CA GLN A 37 -9.063 6.603 -10.449 1.00 0.00 C ATOM 495 C GLN A 37 -9.037 7.874 -9.602 1.00 0.00 C ATOM 496 O GLN A 37 -8.053 8.615 -9.603 1.00 0.00 O ATOM 497 CB GLN A 37 -8.722 5.393 -9.574 1.00 0.00 C ATOM 498 CG GLN A 37 -9.839 4.366 -9.499 1.00 0.00 C ATOM 499 CD GLN A 37 -11.075 4.898 -8.795 1.00 0.00 C ATOM 500 OE1 GLN A 37 -12.104 5.133 -9.423 1.00 0.00 O ATOM 501 NE2 GLN A 37 -10.974 5.099 -7.485 1.00 0.00 N ATOM 0 H GLN A 37 -7.164 6.483 -11.324 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.066 6.484 -10.859 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.824 4.914 -9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.487 5.737 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.107 4.052 -10.508 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.479 3.481 -8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.100 4.890 -7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.771 5.462 -6.962 1.00 0.00 H new ATOM 510 N ASN A 38 -10.127 8.114 -8.874 1.00 0.00 N ATOM 511 CA ASN A 38 -10.240 9.288 -8.010 1.00 0.00 C ATOM 512 C ASN A 38 -9.382 9.126 -6.752 1.00 0.00 C ATOM 513 O ASN A 38 -8.861 10.110 -6.221 1.00 0.00 O ATOM 514 CB ASN A 38 -11.703 9.522 -7.612 1.00 0.00 C ATOM 515 CG ASN A 38 -12.592 9.849 -8.802 1.00 0.00 C ATOM 516 OD1 ASN A 38 -12.488 9.226 -9.859 1.00 0.00 O ATOM 517 ND2 ASN A 38 -13.477 10.828 -8.635 1.00 0.00 N ATOM 0 H ASN A 38 -10.947 7.508 -8.866 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.879 10.151 -8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -12.086 8.632 -7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.753 10.339 -6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -14.101 11.087 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.531 11.320 -7.743 1.00 0.00 H new ATOM 524 N SER A 39 -9.248 7.883 -6.277 1.00 0.00 N ATOM 525 CA SER A 39 -8.460 7.595 -5.078 1.00 0.00 C ATOM 526 C SER A 39 -8.077 6.113 -5.013 1.00 0.00 C ATOM 527 O SER A 39 -8.827 5.248 -5.471 1.00 0.00 O ATOM 528 CB SER A 39 -9.249 7.991 -3.827 1.00 0.00 C ATOM 529 OG SER A 39 -8.649 7.473 -2.651 1.00 0.00 O ATOM 0 H SER A 39 -9.676 7.062 -6.706 1.00 0.00 H new ATOM 0 HA SER A 39 -7.541 8.180 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.306 9.077 -3.760 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.272 7.622 -3.908 1.00 0.00 H new ATOM 0 HG SER A 39 -9.253 7.605 -1.890 1.00 0.00 H new ATOM 535 N ASN A 40 -6.905 5.828 -4.438 1.00 0.00 N ATOM 536 CA ASN A 40 -6.419 4.452 -4.309 1.00 0.00 C ATOM 537 C ASN A 40 -5.625 4.269 -3.014 1.00 0.00 C ATOM 538 O ASN A 40 -4.923 5.182 -2.575 1.00 0.00 O ATOM 539 CB ASN A 40 -5.549 4.074 -5.516 1.00 0.00 C ATOM 540 CG ASN A 40 -4.498 5.122 -5.833 1.00 0.00 C ATOM 541 OD1 ASN A 40 -4.680 5.948 -6.727 1.00 0.00 O ATOM 542 ND2 ASN A 40 -3.388 5.097 -5.100 1.00 0.00 N ATOM 0 H ASN A 40 -6.275 6.533 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.286 3.792 -4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.058 3.121 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.187 3.930 -6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.649 5.779 -5.270 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.276 4.396 -4.368 1.00 0.00 H new ATOM 549 N VAL A 41 -5.738 3.082 -2.410 1.00 0.00 N ATOM 550 CA VAL A 41 -5.026 2.785 -1.165 1.00 0.00 C ATOM 551 C VAL A 41 -3.950 1.719 -1.369 1.00 0.00 C ATOM 552 O VAL A 41 -4.254 0.536 -1.528 1.00 0.00 O ATOM 553 CB VAL A 41 -5.979 2.317 -0.038 1.00 0.00 C ATOM 554 CG1 VAL A 41 -6.881 3.455 0.414 1.00 0.00 C ATOM 555 CG2 VAL A 41 -6.804 1.109 -0.472 1.00 0.00 C ATOM 0 H VAL A 41 -6.312 2.316 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.558 3.723 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.365 2.010 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.542 3.103 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.270 4.276 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.478 3.803 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.462 0.806 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.403 1.372 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.137 0.285 -0.725 1.00 0.00 H new ATOM 565 N ILE A 42 -2.688 2.147 -1.344 1.00 0.00 N ATOM 566 CA ILE A 42 -1.567 1.226 -1.505 1.00 0.00 C ATOM 567 C ILE A 42 -1.169 0.640 -0.149 1.00 0.00 C ATOM 568 O ILE A 42 -1.479 1.219 0.896 1.00 0.00 O ATOM 569 CB ILE A 42 -0.346 1.918 -2.160 1.00 0.00 C ATOM 570 CG1 ILE A 42 0.634 0.873 -2.705 1.00 0.00 C ATOM 571 CG2 ILE A 42 0.351 2.848 -1.174 1.00 0.00 C ATOM 572 CD1 ILE A 42 1.276 1.270 -4.016 1.00 0.00 C ATOM 0 H ILE A 42 -2.419 3.122 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.891 0.424 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.705 2.522 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.416 0.700 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.107 -0.072 -2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.204 3.320 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.348 3.616 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.696 2.274 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.957 0.483 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.503 1.415 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.832 2.198 -3.883 1.00 0.00 H new ATOM 584 N LEU A 43 -0.496 -0.508 -0.164 1.00 0.00 N ATOM 585 CA LEU A 43 -0.078 -1.157 1.073 1.00 0.00 C ATOM 586 C LEU A 43 1.389 -1.541 1.021 1.00 0.00 C ATOM 587 O LEU A 43 1.822 -2.239 0.108 1.00 0.00 O ATOM 588 CB LEU A 43 -0.932 -2.394 1.339 1.00 0.00 C ATOM 589 CG LEU A 43 -2.393 -2.097 1.665 1.00 0.00 C ATOM 590 CD1 LEU A 43 -3.189 -3.383 1.795 1.00 0.00 C ATOM 591 CD2 LEU A 43 -2.491 -1.274 2.940 1.00 0.00 C ATOM 0 H LEU A 43 -0.230 -1.005 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.217 -0.446 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.893 -3.042 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.494 -2.951 2.167 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.819 -1.519 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.227 -3.146 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.144 -3.935 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.768 -3.992 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.538 -1.069 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.048 -1.829 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.957 -0.333 2.807 1.00 0.00 H new ATOM 603 N PHE A 44 2.140 -1.077 2.012 1.00 0.00 N ATOM 604 CA PHE A 44 3.569 -1.361 2.091 1.00 0.00 C ATOM 605 C PHE A 44 3.866 -2.340 3.221 1.00 0.00 C ATOM 606 O PHE A 44 3.356 -2.181 4.332 1.00 0.00 O ATOM 607 CB PHE A 44 4.346 -0.059 2.310 1.00 0.00 C ATOM 608 CG PHE A 44 5.623 0.022 1.526 1.00 0.00 C ATOM 609 CD1 PHE A 44 5.640 -0.280 0.175 1.00 0.00 C ATOM 610 CD2 PHE A 44 6.808 0.398 2.142 1.00 0.00 C ATOM 611 CE1 PHE A 44 6.816 -0.209 -0.550 1.00 0.00 C ATOM 612 CE2 PHE A 44 7.984 0.471 1.424 1.00 0.00 C ATOM 613 CZ PHE A 44 7.990 0.169 0.076 1.00 0.00 C ATOM 0 H PHE A 44 1.783 -0.501 2.774 1.00 0.00 H new ATOM 0 HA PHE A 44 3.883 -1.816 1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.710 0.783 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.575 0.043 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.725 -0.574 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.810 0.636 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.817 -0.448 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.900 0.764 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.909 0.228 -0.488 1.00 0.00 H new ATOM 623 N CYS A 45 4.688 -3.354 2.942 1.00 0.00 N ATOM 624 CA CYS A 45 5.024 -4.341 3.968 1.00 0.00 C ATOM 625 C CYS A 45 5.846 -3.712 5.094 1.00 0.00 C ATOM 626 O CYS A 45 6.573 -2.739 4.878 1.00 0.00 O ATOM 627 CB CYS A 45 5.777 -5.529 3.368 1.00 0.00 C ATOM 628 SG CYS A 45 5.760 -6.997 4.445 1.00 0.00 S ATOM 0 H CYS A 45 5.125 -3.511 2.034 1.00 0.00 H new ATOM 0 HA CYS A 45 4.085 -4.704 4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.333 -5.785 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.810 -5.238 3.175 1.00 0.00 H new ATOM 633 N ASP A 46 5.718 -4.272 6.299 1.00 0.00 N ATOM 634 CA ASP A 46 6.437 -3.765 7.469 1.00 0.00 C ATOM 635 C ASP A 46 7.861 -4.323 7.557 1.00 0.00 C ATOM 636 O ASP A 46 8.696 -3.781 8.285 1.00 0.00 O ATOM 637 CB ASP A 46 5.659 -4.088 8.749 1.00 0.00 C ATOM 638 CG ASP A 46 4.834 -2.909 9.241 1.00 0.00 C ATOM 639 OD1 ASP A 46 4.422 -2.073 8.404 1.00 0.00 O ATOM 640 OD2 ASP A 46 4.597 -2.824 10.464 1.00 0.00 O ATOM 0 H ASP A 46 5.122 -5.078 6.490 1.00 0.00 H new ATOM 0 HA ASP A 46 6.518 -2.684 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.001 -4.937 8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.358 -4.389 9.529 1.00 0.00 H new ATOM 645 N MET A 47 8.150 -5.384 6.800 1.00 0.00 N ATOM 646 CA MET A 47 9.482 -5.973 6.786 1.00 0.00 C ATOM 647 C MET A 47 9.951 -6.161 5.345 1.00 0.00 C ATOM 648 O MET A 47 10.931 -6.864 5.082 1.00 0.00 O ATOM 649 CB MET A 47 9.477 -7.315 7.525 1.00 0.00 C ATOM 650 CG MET A 47 10.676 -7.510 8.441 1.00 0.00 C ATOM 651 SD MET A 47 10.476 -6.678 10.029 1.00 0.00 S ATOM 652 CE MET A 47 11.991 -7.154 10.856 1.00 0.00 C ATOM 0 H MET A 47 7.477 -5.849 6.191 1.00 0.00 H new ATOM 0 HA MET A 47 10.172 -5.301 7.296 1.00 0.00 H new ATOM 0 HB2 MET A 47 8.563 -7.392 8.115 1.00 0.00 H new ATOM 0 HB3 MET A 47 9.454 -8.123 6.794 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.830 -8.576 8.610 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.571 -7.133 7.947 1.00 0.00 H new ATOM 0 HE1 MET A 47 12.014 -6.715 11.853 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.036 -8.240 10.936 1.00 0.00 H new ATOM 0 HE3 MET A 47 12.846 -6.797 10.282 1.00 0.00 H new ATOM 662 N CYS A 48 9.224 -5.536 4.414 1.00 0.00 N ATOM 663 CA CYS A 48 9.525 -5.638 3.001 1.00 0.00 C ATOM 664 C CYS A 48 9.106 -4.370 2.254 1.00 0.00 C ATOM 665 O CYS A 48 8.643 -3.400 2.859 1.00 0.00 O ATOM 666 CB CYS A 48 8.787 -6.840 2.420 1.00 0.00 C ATOM 667 SG CYS A 48 8.994 -8.389 3.357 1.00 0.00 S ATOM 0 H CYS A 48 8.416 -4.950 4.627 1.00 0.00 H new ATOM 0 HA CYS A 48 10.601 -5.762 2.882 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.724 -6.604 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.131 -7.001 1.398 1.00 0.00 H new ATOM 672 N ASN A 49 9.253 -4.402 0.931 1.00 0.00 N ATOM 673 CA ASN A 49 8.875 -3.282 0.076 1.00 0.00 C ATOM 674 C ASN A 49 7.656 -3.639 -0.781 1.00 0.00 C ATOM 675 O ASN A 49 7.393 -2.991 -1.798 1.00 0.00 O ATOM 676 CB ASN A 49 10.050 -2.874 -0.822 1.00 0.00 C ATOM 677 CG ASN A 49 11.094 -2.065 -0.077 1.00 0.00 C ATOM 678 OD1 ASN A 49 11.112 -0.836 -0.153 1.00 0.00 O ATOM 679 ND2 ASN A 49 11.975 -2.747 0.649 1.00 0.00 N ATOM 0 H ASN A 49 9.635 -5.201 0.425 1.00 0.00 H new ATOM 0 HA ASN A 49 8.612 -2.440 0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.515 -3.769 -1.236 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.675 -2.291 -1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.700 -2.252 1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.926 -3.765 0.686 1.00 0.00 H new ATOM 686 N LEU A 50 6.913 -4.675 -0.370 1.00 0.00 N ATOM 687 CA LEU A 50 5.730 -5.104 -1.110 1.00 0.00 C ATOM 688 C LEU A 50 4.664 -4.016 -1.093 1.00 0.00 C ATOM 689 O LEU A 50 3.873 -3.921 -0.152 1.00 0.00 O ATOM 690 CB LEU A 50 5.167 -6.407 -0.528 1.00 0.00 C ATOM 691 CG LEU A 50 3.916 -6.939 -1.236 1.00 0.00 C ATOM 692 CD1 LEU A 50 4.296 -7.759 -2.460 1.00 0.00 C ATOM 693 CD2 LEU A 50 3.069 -7.765 -0.277 1.00 0.00 C ATOM 0 H LEU A 50 7.112 -5.225 0.466 1.00 0.00 H new ATOM 0 HA LEU A 50 6.025 -5.287 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.943 -7.172 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.932 -6.247 0.524 1.00 0.00 H new ATOM 0 HG LEU A 50 3.324 -6.087 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.393 -8.126 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.855 -7.135 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.913 -8.604 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.185 -8.134 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.653 -8.609 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.761 -7.144 0.564 1.00 0.00 H new ATOM 705 N ALA A 51 4.655 -3.196 -2.141 1.00 0.00 N ATOM 706 CA ALA A 51 3.692 -2.113 -2.263 1.00 0.00 C ATOM 707 C ALA A 51 2.584 -2.495 -3.242 1.00 0.00 C ATOM 708 O ALA A 51 2.801 -2.510 -4.451 1.00 0.00 O ATOM 709 CB ALA A 51 4.382 -0.833 -2.719 1.00 0.00 C ATOM 0 H ALA A 51 5.309 -3.265 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 51 3.247 -1.936 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.646 -0.034 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.142 -0.550 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.852 -0.999 -3.688 1.00 0.00 H new ATOM 715 N VAL A 52 1.402 -2.820 -2.715 1.00 0.00 N ATOM 716 CA VAL A 52 0.269 -3.212 -3.555 1.00 0.00 C ATOM 717 C VAL A 52 -1.057 -2.753 -2.955 1.00 0.00 C ATOM 718 O VAL A 52 -1.282 -2.909 -1.755 1.00 0.00 O ATOM 719 CB VAL A 52 0.215 -4.743 -3.761 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.342 -5.207 -4.674 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.269 -5.474 -2.426 1.00 0.00 C ATOM 0 H VAL A 52 1.205 -2.820 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 52 0.419 -2.725 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.733 -4.984 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.283 -6.288 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.249 -4.719 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.302 -4.947 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.230 -6.550 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.196 -5.223 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.580 -5.174 -1.812 1.00 0.00 H new ATOM 731 N HIS A 53 -1.948 -2.209 -3.790 1.00 0.00 N ATOM 732 CA HIS A 53 -3.257 -1.769 -3.305 1.00 0.00 C ATOM 733 C HIS A 53 -4.012 -2.953 -2.698 1.00 0.00 C ATOM 734 O HIS A 53 -3.914 -4.075 -3.198 1.00 0.00 O ATOM 735 CB HIS A 53 -4.097 -1.149 -4.434 1.00 0.00 C ATOM 736 CG HIS A 53 -3.427 -0.020 -5.160 1.00 0.00 C ATOM 737 ND1 HIS A 53 -2.925 -0.185 -6.428 1.00 0.00 N ATOM 738 CD2 HIS A 53 -3.219 1.262 -4.768 1.00 0.00 C ATOM 739 CE1 HIS A 53 -2.430 0.988 -6.781 1.00 0.00 C ATOM 740 NE2 HIS A 53 -2.584 1.896 -5.806 1.00 0.00 N ATOM 0 H HIS A 53 -1.790 -2.065 -4.787 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.092 -1.006 -2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.348 -1.929 -5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.036 -0.788 -4.015 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.499 1.699 -3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.961 1.190 -7.733 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.286 2.871 -5.831 1.00 0.00 H new ATOM 748 N GLN A 54 -4.763 -2.708 -1.624 1.00 0.00 N ATOM 749 CA GLN A 54 -5.529 -3.772 -0.970 1.00 0.00 C ATOM 750 C GLN A 54 -6.593 -4.351 -1.907 1.00 0.00 C ATOM 751 O GLN A 54 -7.071 -5.467 -1.701 1.00 0.00 O ATOM 752 CB GLN A 54 -6.185 -3.263 0.320 1.00 0.00 C ATOM 753 CG GLN A 54 -7.266 -2.213 0.098 1.00 0.00 C ATOM 754 CD GLN A 54 -8.669 -2.789 0.179 1.00 0.00 C ATOM 755 OE1 GLN A 54 -9.472 -2.632 -0.741 1.00 0.00 O ATOM 756 NE2 GLN A 54 -8.971 -3.464 1.284 1.00 0.00 N ATOM 0 H GLN A 54 -4.858 -1.790 -1.190 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.828 -4.567 -0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.620 -4.109 0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.414 -2.843 0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.158 -1.424 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.123 -1.751 -0.879 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.276 -3.571 2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.898 -3.875 1.393 1.00 0.00 H new ATOM 765 N GLU A 55 -6.938 -3.596 -2.953 1.00 0.00 N ATOM 766 CA GLU A 55 -7.915 -4.042 -3.938 1.00 0.00 C ATOM 767 C GLU A 55 -7.207 -4.803 -5.048 1.00 0.00 C ATOM 768 O GLU A 55 -7.781 -5.674 -5.700 1.00 0.00 O ATOM 769 CB GLU A 55 -8.679 -2.852 -4.518 1.00 0.00 C ATOM 770 CG GLU A 55 -10.126 -3.169 -4.853 1.00 0.00 C ATOM 771 CD GLU A 55 -11.009 -3.195 -3.621 1.00 0.00 C ATOM 772 OE1 GLU A 55 -11.045 -4.240 -2.938 1.00 0.00 O ATOM 773 OE2 GLU A 55 -11.658 -2.168 -3.335 1.00 0.00 O ATOM 0 H GLU A 55 -6.551 -2.670 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.633 -4.701 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.651 -2.029 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.172 -2.509 -5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.506 -2.426 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.177 -4.135 -5.355 1.00 0.00 H new ATOM 780 N CYS A 56 -5.942 -4.445 -5.247 1.00 0.00 N ATOM 781 CA CYS A 56 -5.101 -5.051 -6.255 1.00 0.00 C ATOM 782 C CYS A 56 -4.616 -6.419 -5.794 1.00 0.00 C ATOM 783 O CYS A 56 -4.514 -7.356 -6.588 1.00 0.00 O ATOM 784 CB CYS A 56 -3.909 -4.134 -6.516 1.00 0.00 C ATOM 785 SG CYS A 56 -3.910 -3.348 -8.158 1.00 0.00 S ATOM 0 H CYS A 56 -5.475 -3.719 -4.704 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.674 -5.186 -7.172 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.892 -3.355 -5.754 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.991 -4.711 -6.403 1.00 0.00 H new ATOM 790 N TYR A 57 -4.316 -6.526 -4.501 1.00 0.00 N ATOM 791 CA TYR A 57 -3.841 -7.775 -3.928 1.00 0.00 C ATOM 792 C TYR A 57 -5.008 -8.694 -3.558 1.00 0.00 C ATOM 793 O TYR A 57 -4.909 -9.915 -3.686 1.00 0.00 O ATOM 794 CB TYR A 57 -2.978 -7.499 -2.695 1.00 0.00 C ATOM 795 CG TYR A 57 -1.940 -8.568 -2.429 1.00 0.00 C ATOM 796 CD1 TYR A 57 -0.671 -8.487 -2.991 1.00 0.00 C ATOM 797 CD2 TYR A 57 -2.225 -9.653 -1.609 1.00 0.00 C ATOM 798 CE1 TYR A 57 0.282 -9.458 -2.745 1.00 0.00 C ATOM 799 CE2 TYR A 57 -1.278 -10.627 -1.358 1.00 0.00 C ATOM 800 CZ TYR A 57 -0.027 -10.524 -1.927 1.00 0.00 C ATOM 801 OH TYR A 57 0.919 -11.491 -1.676 1.00 0.00 O ATOM 0 H TYR A 57 -4.395 -5.759 -3.833 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.236 -8.281 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.475 -6.540 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.625 -7.408 -1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.426 -7.652 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.204 -9.736 -1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.263 -9.382 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.517 -11.465 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 57 0.541 -12.171 -1.080 1.00 0.00 H new ATOM 811 N GLY A 58 -6.106 -8.098 -3.094 1.00 0.00 N ATOM 812 CA GLY A 58 -7.275 -8.872 -2.706 1.00 0.00 C ATOM 813 C GLY A 58 -7.320 -9.138 -1.213 1.00 0.00 C ATOM 814 O GLY A 58 -7.572 -10.264 -0.784 1.00 0.00 O ATOM 0 H GLY A 58 -6.206 -7.089 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.177 -8.338 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.274 -9.821 -3.242 1.00 0.00 H new ATOM 818 N VAL A 59 -7.072 -8.095 -0.419 1.00 0.00 N ATOM 819 CA VAL A 59 -7.083 -8.215 1.035 1.00 0.00 C ATOM 820 C VAL A 59 -8.511 -8.157 1.573 1.00 0.00 C ATOM 821 O VAL A 59 -9.276 -7.257 1.218 1.00 0.00 O ATOM 822 CB VAL A 59 -6.244 -7.102 1.700 1.00 0.00 C ATOM 823 CG1 VAL A 59 -6.134 -7.336 3.200 1.00 0.00 C ATOM 824 CG2 VAL A 59 -4.862 -7.015 1.065 1.00 0.00 C ATOM 0 H VAL A 59 -6.861 -7.158 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.642 -9.181 1.280 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.752 -6.151 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.539 -6.541 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.130 -7.338 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.654 -8.297 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.288 -6.224 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.344 -7.966 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.963 -6.792 0.003 1.00 0.00 H new ATOM 834 N PRO A 60 -8.895 -9.116 2.440 1.00 0.00 N ATOM 835 CA PRO A 60 -10.244 -9.161 3.020 1.00 0.00 C ATOM 836 C PRO A 60 -10.500 -8.013 4.002 1.00 0.00 C ATOM 837 O PRO A 60 -11.552 -7.376 3.956 1.00 0.00 O ATOM 838 CB PRO A 60 -10.281 -10.512 3.741 1.00 0.00 C ATOM 839 CG PRO A 60 -8.856 -10.831 4.037 1.00 0.00 C ATOM 840 CD PRO A 60 -8.049 -10.227 2.920 1.00 0.00 C ATOM 0 HA PRO A 60 -11.016 -9.053 2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.871 -10.455 4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.736 -11.281 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.557 -10.418 5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.701 -11.909 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.081 -9.870 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.853 -10.952 2.130 1.00 0.00 H new ATOM 848 N TYR A 61 -9.533 -7.757 4.884 1.00 0.00 N ATOM 849 CA TYR A 61 -9.654 -6.687 5.869 1.00 0.00 C ATOM 850 C TYR A 61 -8.284 -6.089 6.182 1.00 0.00 C ATOM 851 O TYR A 61 -7.289 -6.812 6.260 1.00 0.00 O ATOM 852 CB TYR A 61 -10.305 -7.214 7.154 1.00 0.00 C ATOM 853 CG TYR A 61 -10.495 -6.157 8.224 1.00 0.00 C ATOM 854 CD1 TYR A 61 -11.222 -5.001 7.965 1.00 0.00 C ATOM 855 CD2 TYR A 61 -9.943 -6.316 9.488 1.00 0.00 C ATOM 856 CE1 TYR A 61 -11.394 -4.036 8.937 1.00 0.00 C ATOM 857 CE2 TYR A 61 -10.112 -5.353 10.466 1.00 0.00 C ATOM 858 CZ TYR A 61 -10.838 -4.216 10.185 1.00 0.00 C ATOM 859 OH TYR A 61 -11.008 -3.254 11.154 1.00 0.00 O ATOM 0 H TYR A 61 -8.657 -8.278 4.935 1.00 0.00 H new ATOM 0 HA TYR A 61 -10.288 -5.906 5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.275 -7.646 6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.691 -8.019 7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -11.659 -4.856 6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.373 -7.206 9.711 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.962 -3.143 8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.677 -5.491 11.445 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.555 -3.534 11.976 1.00 0.00 H new ATOM 869 N ILE A 62 -8.239 -4.767 6.359 1.00 0.00 N ATOM 870 CA ILE A 62 -6.989 -4.075 6.662 1.00 0.00 C ATOM 871 C ILE A 62 -6.677 -4.133 8.159 1.00 0.00 C ATOM 872 O ILE A 62 -7.399 -3.557 8.971 1.00 0.00 O ATOM 873 CB ILE A 62 -7.035 -2.597 6.210 1.00 0.00 C ATOM 874 CG1 ILE A 62 -7.449 -2.496 4.737 1.00 0.00 C ATOM 875 CG2 ILE A 62 -5.683 -1.930 6.430 1.00 0.00 C ATOM 876 CD1 ILE A 62 -8.061 -1.162 4.367 1.00 0.00 C ATOM 0 H ILE A 62 -9.054 -4.157 6.297 1.00 0.00 H new ATOM 0 HA ILE A 62 -6.202 -4.588 6.109 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.779 -2.077 6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.575 -2.671 4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.164 -3.288 4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.733 -0.890 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.426 -1.969 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.921 -2.453 5.852 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.329 -1.165 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.955 -0.993 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.341 -0.366 4.557 1.00 0.00 H new ATOM 888 N PRO A 63 -5.589 -4.835 8.544 1.00 0.00 N ATOM 889 CA PRO A 63 -5.180 -4.971 9.950 1.00 0.00 C ATOM 890 C PRO A 63 -4.788 -3.634 10.578 1.00 0.00 C ATOM 891 O PRO A 63 -4.497 -2.669 9.871 1.00 0.00 O ATOM 892 CB PRO A 63 -3.963 -5.906 9.894 1.00 0.00 C ATOM 893 CG PRO A 63 -4.029 -6.558 8.555 1.00 0.00 C ATOM 894 CD PRO A 63 -4.676 -5.559 7.641 1.00 0.00 C ATOM 0 HA PRO A 63 -5.996 -5.350 10.565 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.034 -5.350 10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.998 -6.646 10.694 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.033 -6.824 8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.608 -7.480 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.943 -4.892 7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.213 -6.044 6.826 1.00 0.00 H new ATOM 902 N GLU A 64 -4.780 -3.592 11.913 1.00 0.00 N ATOM 903 CA GLU A 64 -4.424 -2.376 12.645 1.00 0.00 C ATOM 904 C GLU A 64 -3.064 -2.517 13.336 1.00 0.00 C ATOM 905 O GLU A 64 -2.845 -1.964 14.416 1.00 0.00 O ATOM 906 CB GLU A 64 -5.509 -2.053 13.678 1.00 0.00 C ATOM 907 CG GLU A 64 -6.736 -1.383 13.081 1.00 0.00 C ATOM 908 CD GLU A 64 -7.804 -1.082 14.117 1.00 0.00 C ATOM 909 OE1 GLU A 64 -8.174 -2.002 14.877 1.00 0.00 O ATOM 910 OE2 GLU A 64 -8.272 0.075 14.164 1.00 0.00 O ATOM 0 H GLU A 64 -5.016 -4.386 12.508 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.351 -1.558 11.928 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.813 -2.975 14.173 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.087 -1.403 14.445 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.437 -0.455 12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.157 -2.027 12.309 1.00 0.00 H new ATOM 917 N GLY A 65 -2.149 -3.256 12.704 1.00 0.00 N ATOM 918 CA GLY A 65 -0.824 -3.450 13.270 1.00 0.00 C ATOM 919 C GLY A 65 0.244 -3.598 12.202 1.00 0.00 C ATOM 920 O GLY A 65 0.329 -2.779 11.286 1.00 0.00 O ATOM 0 H GLY A 65 -2.304 -3.723 11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.578 -2.604 13.911 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.828 -4.338 13.902 1.00 0.00 H new ATOM 924 N GLN A 66 1.058 -4.647 12.320 1.00 0.00 N ATOM 925 CA GLN A 66 2.126 -4.900 11.356 1.00 0.00 C ATOM 926 C GLN A 66 1.623 -5.743 10.185 1.00 0.00 C ATOM 927 O GLN A 66 0.737 -6.583 10.347 1.00 0.00 O ATOM 928 CB GLN A 66 3.301 -5.611 12.034 1.00 0.00 C ATOM 929 CG GLN A 66 3.932 -4.819 13.170 1.00 0.00 C ATOM 930 CD GLN A 66 5.382 -5.196 13.403 1.00 0.00 C ATOM 931 OE1 GLN A 66 5.682 -6.094 14.189 1.00 0.00 O ATOM 932 NE2 GLN A 66 6.292 -4.510 12.718 1.00 0.00 N ATOM 0 H GLN A 66 0.998 -5.333 13.072 1.00 0.00 H new ATOM 0 HA GLN A 66 2.461 -3.937 10.972 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.957 -6.570 12.421 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.064 -5.824 11.286 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.868 -3.754 12.946 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.364 -4.987 14.085 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.999 -3.773 12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.283 -4.721 12.834 1.00 0.00 H new ATOM 941 N TRP A 67 2.200 -5.512 9.006 1.00 0.00 N ATOM 942 CA TRP A 67 1.817 -6.250 7.806 1.00 0.00 C ATOM 943 C TRP A 67 2.995 -7.051 7.257 1.00 0.00 C ATOM 944 O TRP A 67 3.960 -6.481 6.751 1.00 0.00 O ATOM 945 CB TRP A 67 1.294 -5.291 6.730 1.00 0.00 C ATOM 946 CG TRP A 67 0.590 -5.985 5.600 1.00 0.00 C ATOM 947 CD1 TRP A 67 -0.318 -7.000 5.698 1.00 0.00 C ATOM 948 CD2 TRP A 67 0.737 -5.715 4.199 1.00 0.00 C ATOM 949 NE1 TRP A 67 -0.743 -7.378 4.448 1.00 0.00 N ATOM 950 CE2 TRP A 67 -0.110 -6.605 3.512 1.00 0.00 C ATOM 951 CE3 TRP A 67 1.505 -4.810 3.461 1.00 0.00 C ATOM 952 CZ2 TRP A 67 -0.214 -6.610 2.122 1.00 0.00 C ATOM 953 CZ3 TRP A 67 1.401 -4.818 2.082 1.00 0.00 C ATOM 954 CH2 TRP A 67 0.548 -5.714 1.426 1.00 0.00 C ATOM 0 H TRP A 67 2.934 -4.819 8.858 1.00 0.00 H new ATOM 0 HA TRP A 67 1.023 -6.945 8.080 1.00 0.00 H new ATOM 0 HB2 TRP A 67 0.610 -4.579 7.191 1.00 0.00 H new ATOM 0 HB3 TRP A 67 2.129 -4.717 6.329 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -0.654 -7.442 6.625 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.420 -8.115 4.249 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.167 -4.117 3.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.873 -7.298 1.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.988 -4.121 1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.491 -5.697 0.348 1.00 0.00 H new ATOM 965 N LEU A 68 2.896 -8.377 7.351 1.00 0.00 N ATOM 966 CA LEU A 68 3.942 -9.266 6.849 1.00 0.00 C ATOM 967 C LEU A 68 3.414 -10.086 5.679 1.00 0.00 C ATOM 968 O LEU A 68 2.642 -11.027 5.875 1.00 0.00 O ATOM 969 CB LEU A 68 4.444 -10.221 7.947 1.00 0.00 C ATOM 970 CG LEU A 68 5.341 -9.606 9.031 1.00 0.00 C ATOM 971 CD1 LEU A 68 6.756 -9.415 8.507 1.00 0.00 C ATOM 972 CD2 LEU A 68 4.776 -8.285 9.534 1.00 0.00 C ATOM 0 H LEU A 68 2.101 -8.859 7.771 1.00 0.00 H new ATOM 0 HA LEU A 68 4.775 -8.643 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.577 -10.667 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.993 -11.032 7.469 1.00 0.00 H new ATOM 0 HG LEU A 68 5.370 -10.299 9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.378 -8.978 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.168 -10.380 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.738 -8.750 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.434 -7.876 10.300 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.703 -7.581 8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.785 -8.451 9.958 1.00 0.00 H new ATOM 984 N CYS A 69 3.829 -9.730 4.464 1.00 0.00 N ATOM 985 CA CYS A 69 3.396 -10.442 3.269 1.00 0.00 C ATOM 986 C CYS A 69 3.723 -11.932 3.383 1.00 0.00 C ATOM 987 O CYS A 69 4.542 -12.340 4.207 1.00 0.00 O ATOM 988 CB CYS A 69 4.042 -9.841 2.012 1.00 0.00 C ATOM 989 SG CYS A 69 5.858 -9.982 1.942 1.00 0.00 S ATOM 0 H CYS A 69 4.464 -8.953 4.284 1.00 0.00 H new ATOM 0 HA CYS A 69 2.315 -10.333 3.180 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.620 -10.331 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.771 -8.787 1.950 1.00 0.00 H new ATOM 994 N ARG A 70 3.058 -12.739 2.563 1.00 0.00 N ATOM 995 CA ARG A 70 3.247 -14.191 2.574 1.00 0.00 C ATOM 996 C ARG A 70 4.720 -14.604 2.471 1.00 0.00 C ATOM 997 O ARG A 70 5.085 -15.699 2.899 1.00 0.00 O ATOM 998 CB ARG A 70 2.462 -14.832 1.428 1.00 0.00 C ATOM 999 CG ARG A 70 0.982 -14.464 1.413 1.00 0.00 C ATOM 1000 CD ARG A 70 0.091 -15.680 1.628 1.00 0.00 C ATOM 1001 NE ARG A 70 0.154 -16.614 0.502 1.00 0.00 N ATOM 1002 CZ ARG A 70 0.855 -17.752 0.503 1.00 0.00 C ATOM 1003 NH1 ARG A 70 1.569 -18.113 1.569 1.00 0.00 N ATOM 1004 NH2 ARG A 70 0.845 -18.535 -0.571 1.00 0.00 N ATOM 0 H ARG A 70 2.378 -12.412 1.877 1.00 0.00 H new ATOM 0 HA ARG A 70 2.875 -14.545 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.911 -14.533 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.557 -15.916 1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.784 -13.727 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.734 -13.996 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.392 -16.193 2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.939 -15.354 1.771 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.373 -16.380 -0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.585 -17.518 2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.099 -18.984 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.303 -18.267 -1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.379 -19.404 -0.574 1.00 0.00 H new ATOM 1018 N HIS A 71 5.567 -13.741 1.905 1.00 0.00 N ATOM 1019 CA HIS A 71 6.980 -14.058 1.750 1.00 0.00 C ATOM 1020 C HIS A 71 7.715 -13.971 3.079 1.00 0.00 C ATOM 1021 O HIS A 71 8.515 -14.845 3.415 1.00 0.00 O ATOM 1022 CB HIS A 71 7.622 -13.111 0.730 1.00 0.00 C ATOM 1023 CG HIS A 71 9.035 -13.461 0.380 1.00 0.00 C ATOM 1024 ND1 HIS A 71 10.118 -13.066 1.137 1.00 0.00 N ATOM 1025 CD2 HIS A 71 9.542 -14.168 -0.658 1.00 0.00 C ATOM 1026 CE1 HIS A 71 11.230 -13.510 0.579 1.00 0.00 C ATOM 1027 NE2 HIS A 71 10.908 -14.184 -0.510 1.00 0.00 N ATOM 0 H HIS A 71 5.297 -12.824 1.550 1.00 0.00 H new ATOM 0 HA HIS A 71 7.058 -15.083 1.389 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.022 -13.113 -0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.597 -12.096 1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.978 -14.632 -1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.231 -13.349 0.950 1.00 0.00 H new ATOM 0 HE2 HIS A 71 11.567 -14.642 -1.140 1.00 0.00 H new ATOM 1036 N CYS A 72 7.452 -12.907 3.826 1.00 0.00 N ATOM 1037 CA CYS A 72 8.106 -12.708 5.107 1.00 0.00 C ATOM 1038 C CYS A 72 7.429 -13.495 6.222 1.00 0.00 C ATOM 1039 O CYS A 72 8.104 -14.162 7.007 1.00 0.00 O ATOM 1040 CB CYS A 72 8.160 -11.233 5.442 1.00 0.00 C ATOM 1041 SG CYS A 72 6.551 -10.397 5.475 1.00 0.00 S ATOM 0 H CYS A 72 6.793 -12.173 3.566 1.00 0.00 H new ATOM 0 HA CYS A 72 9.124 -13.088 5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.635 -11.114 6.416 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.798 -10.733 4.713 1.00 0.00 H new ATOM 1046 N LEU A 73 6.097 -13.431 6.287 1.00 0.00 N ATOM 1047 CA LEU A 73 5.358 -14.166 7.311 1.00 0.00 C ATOM 1048 C LEU A 73 5.662 -15.660 7.202 1.00 0.00 C ATOM 1049 O LEU A 73 5.569 -16.395 8.186 1.00 0.00 O ATOM 1050 CB LEU A 73 3.850 -13.910 7.194 1.00 0.00 C ATOM 1051 CG LEU A 73 3.149 -14.574 6.003 1.00 0.00 C ATOM 1052 CD1 LEU A 73 2.842 -16.036 6.303 1.00 0.00 C ATOM 1053 CD2 LEU A 73 1.874 -13.821 5.653 1.00 0.00 C ATOM 0 H LEU A 73 5.516 -12.885 5.651 1.00 0.00 H new ATOM 0 HA LEU A 73 5.679 -13.811 8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.371 -14.253 8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.687 -12.834 7.133 1.00 0.00 H new ATOM 0 HG LEU A 73 3.821 -14.538 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.345 -16.487 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.771 -16.569 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.190 -16.100 7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.387 -14.304 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.201 -13.827 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.119 -12.792 5.392 1.00 0.00 H new ATOM 1065 N GLN A 74 6.048 -16.094 5.999 1.00 0.00 N ATOM 1066 CA GLN A 74 6.395 -17.491 5.762 1.00 0.00 C ATOM 1067 C GLN A 74 7.849 -17.752 6.170 1.00 0.00 C ATOM 1068 O GLN A 74 8.177 -18.826 6.677 1.00 0.00 O ATOM 1069 CB GLN A 74 6.185 -17.853 4.293 1.00 0.00 C ATOM 1070 CG GLN A 74 6.485 -19.307 3.968 1.00 0.00 C ATOM 1071 CD GLN A 74 7.295 -19.471 2.694 1.00 0.00 C ATOM 1072 OE1 GLN A 74 7.669 -18.492 2.047 1.00 0.00 O ATOM 1073 NE2 GLN A 74 7.567 -20.717 2.322 1.00 0.00 N ATOM 0 H GLN A 74 6.127 -15.496 5.177 1.00 0.00 H new ATOM 0 HA GLN A 74 5.742 -18.118 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.153 -17.635 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.819 -17.215 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.029 -19.755 4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.547 -19.853 3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.239 -21.501 2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.104 -20.890 1.472 1.00 0.00 H new ATOM 1082 N SER A 75 8.710 -16.753 5.946 1.00 0.00 N ATOM 1083 CA SER A 75 10.130 -16.852 6.292 1.00 0.00 C ATOM 1084 C SER A 75 10.309 -17.227 7.764 1.00 0.00 C ATOM 1085 O SER A 75 11.194 -18.009 8.105 1.00 0.00 O ATOM 1086 CB SER A 75 10.845 -15.529 5.999 1.00 0.00 C ATOM 1087 OG SER A 75 11.366 -15.511 4.681 1.00 0.00 O ATOM 0 H SER A 75 8.445 -15.863 5.524 1.00 0.00 H new ATOM 0 HA SER A 75 10.572 -17.638 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.150 -14.700 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.654 -15.383 6.715 1.00 0.00 H new ATOM 0 HG SER A 75 10.642 -15.332 4.045 1.00 0.00 H new ATOM 1093 N ARG A 76 9.458 -16.667 8.626 1.00 0.00 N ATOM 1094 CA ARG A 76 9.514 -16.952 10.061 1.00 0.00 C ATOM 1095 C ARG A 76 8.726 -18.220 10.399 1.00 0.00 C ATOM 1096 O ARG A 76 9.077 -18.946 11.330 1.00 0.00 O ATOM 1097 CB ARG A 76 8.967 -15.770 10.869 1.00 0.00 C ATOM 1098 CG ARG A 76 9.123 -15.938 12.374 1.00 0.00 C ATOM 1099 CD ARG A 76 8.034 -15.200 13.140 1.00 0.00 C ATOM 1100 NE ARG A 76 8.524 -13.957 13.737 1.00 0.00 N ATOM 1101 CZ ARG A 76 7.828 -13.223 14.607 1.00 0.00 C ATOM 1102 NH1 ARG A 76 6.609 -13.601 14.988 1.00 0.00 N ATOM 1103 NH2 ARG A 76 8.349 -12.105 15.102 1.00 0.00 N ATOM 0 H ARG A 76 8.722 -16.014 8.356 1.00 0.00 H new ATOM 0 HA ARG A 76 10.559 -17.110 10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.480 -14.860 10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.911 -15.637 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.091 -16.998 12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.100 -15.566 12.682 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.206 -14.976 12.467 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.641 -15.847 13.924 1.00 0.00 H new ATOM 0 HE ARG A 76 9.454 -13.632 13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.201 -14.458 14.614 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.084 -13.034 15.654 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.282 -11.807 14.817 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.816 -11.545 15.767 1.00 0.00 H new ATOM 1117 N ALA A 77 7.659 -18.479 9.637 1.00 0.00 N ATOM 1118 CA ALA A 77 6.823 -19.661 9.855 1.00 0.00 C ATOM 1119 C ALA A 77 7.626 -20.951 9.688 1.00 0.00 C ATOM 1120 O ALA A 77 7.341 -21.954 10.343 1.00 0.00 O ATOM 1121 CB ALA A 77 5.634 -19.654 8.901 1.00 0.00 C ATOM 0 H ALA A 77 7.355 -17.886 8.865 1.00 0.00 H new ATOM 0 HA ALA A 77 6.456 -19.624 10.881 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.022 -20.539 9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.035 -18.759 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.993 -19.658 7.872 1.00 0.00 H new ATOM 1127 N ARG A 78 8.632 -20.920 8.809 1.00 0.00 N ATOM 1128 CA ARG A 78 9.473 -22.092 8.563 1.00 0.00 C ATOM 1129 C ARG A 78 10.249 -22.492 9.822 1.00 0.00 C ATOM 1130 O ARG A 78 10.067 -23.594 10.337 1.00 0.00 O ATOM 1131 CB ARG A 78 10.444 -21.833 7.404 1.00 0.00 C ATOM 1132 CG ARG A 78 10.309 -22.828 6.263 1.00 0.00 C ATOM 1133 CD ARG A 78 11.626 -23.534 5.981 1.00 0.00 C ATOM 1134 NE ARG A 78 11.438 -24.811 5.291 1.00 0.00 N ATOM 1135 CZ ARG A 78 12.409 -25.707 5.100 1.00 0.00 C ATOM 1136 NH1 ARG A 78 13.645 -25.466 5.535 1.00 0.00 N ATOM 1137 NH2 ARG A 78 12.148 -26.845 4.468 1.00 0.00 N ATOM 0 H ARG A 78 8.882 -20.099 8.258 1.00 0.00 H new ATOM 0 HA ARG A 78 8.815 -22.917 8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.277 -20.827 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.466 -21.864 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.545 -23.565 6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.973 -22.310 5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.260 -22.887 5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.152 -23.706 6.920 1.00 0.00 H new ATOM 0 HE ARG A 78 10.508 -25.030 4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.854 -24.592 6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.382 -26.155 5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.205 -27.035 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.890 -27.529 4.322 1.00 0.00 H new ATOM 1151 N PRO A 79 11.123 -21.602 10.338 1.00 0.00 N ATOM 1152 CA PRO A 79 11.917 -21.881 11.543 1.00 0.00 C ATOM 1153 C PRO A 79 11.058 -21.962 12.808 1.00 0.00 C ATOM 1154 O PRO A 79 9.839 -21.791 12.753 1.00 0.00 O ATOM 1155 CB PRO A 79 12.874 -20.688 11.625 1.00 0.00 C ATOM 1156 CG PRO A 79 12.178 -19.592 10.896 1.00 0.00 C ATOM 1157 CD PRO A 79 11.408 -20.260 9.792 1.00 0.00 C ATOM 0 HA PRO A 79 12.419 -22.846 11.480 1.00 0.00 H new ATOM 0 HB2 PRO A 79 13.073 -20.411 12.660 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.835 -20.920 11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.512 -19.042 11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.893 -18.873 10.495 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.492 -19.719 9.557 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.990 -20.316 8.872 1.00 0.00 H new ATOM 1165 N ALA A 80 11.709 -22.226 13.946 1.00 0.00 N ATOM 1166 CA ALA A 80 11.027 -22.334 15.237 1.00 0.00 C ATOM 1167 C ALA A 80 10.044 -23.505 15.253 1.00 0.00 C ATOM 1168 O ALA A 80 8.850 -23.339 15.000 1.00 0.00 O ATOM 1169 CB ALA A 80 10.320 -21.026 15.585 1.00 0.00 C ATOM 0 H ALA A 80 12.718 -22.370 13.997 1.00 0.00 H new ATOM 0 HA ALA A 80 11.783 -22.528 15.997 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.820 -21.128 16.548 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.052 -20.220 15.640 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.583 -20.795 14.816 1.00 0.00 H new TER 1175 ALA A 80 HETATM 1176 ZN ZN A 89 -2.590 -1.468 -8.053 1.00 1.00 ZN HETATM 1177 ZN ZN A 90 6.803 -8.917 3.745 1.00 1.00 ZN