USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HE2:sc= -5.29! C(o=-6.4!,f=-11!) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 26 SER OG : rot -59:sc= -2.87 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -2.66! K(o=-2.7!,f=-1.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 47:sc= 0.333 USER MOD Single : A 51 SER OG : rot 160:sc= 0.00217 USER MOD Single : A 52 SER OG : rot -175:sc= -0.795 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= -0.331 (180deg=-1.7!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= -1.66! (180deg=-1.98!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.995 X(o=-0.99,f=-1.2!) USER MOD Single : A 91 TYR OH : rot 104:sc= 1.05 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.11) USER MOD Single : A 98 LYS NZ :NH3+ -115:sc= -1.74 (180deg=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 22 -7.508 12.849 -8.646 1.00 0.00 N ATOM 2 CA ARG A 22 -7.235 12.497 -7.228 1.00 0.00 C ATOM 3 C ARG A 22 -7.383 10.998 -6.993 1.00 0.00 C ATOM 4 O ARG A 22 -8.431 10.415 -7.272 1.00 0.00 O ATOM 5 CB ARG A 22 -8.211 13.269 -6.337 1.00 0.00 C ATOM 6 CG ARG A 22 -8.128 12.891 -4.866 1.00 0.00 C ATOM 7 CD ARG A 22 -9.093 13.712 -4.026 1.00 0.00 C ATOM 8 NE ARG A 22 -9.411 13.059 -2.758 1.00 0.00 N ATOM 9 CZ ARG A 22 -8.633 13.115 -1.679 1.00 0.00 C ATOM 10 NH1 ARG A 22 -7.486 13.783 -1.711 1.00 0.00 N ATOM 11 NH2 ARG A 22 -9.003 12.500 -0.564 1.00 0.00 N ATOM 0 HA ARG A 22 -6.208 12.768 -6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.016 14.336 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.227 13.095 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.352 11.831 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.110 13.043 -4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.658 14.692 -3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.012 13.878 -4.588 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.280 12.529 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.196 14.258 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.895 13.822 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.883 11.985 -0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.408 12.542 0.263 1.00 0.00 H new ATOM 27 N LEU A 23 -6.327 10.379 -6.476 1.00 0.00 N ATOM 28 CA LEU A 23 -6.339 8.950 -6.201 1.00 0.00 C ATOM 29 C LEU A 23 -6.168 8.686 -4.712 1.00 0.00 C ATOM 30 O LEU A 23 -5.305 9.271 -4.062 1.00 0.00 O ATOM 31 CB LEU A 23 -5.268 8.254 -7.035 1.00 0.00 C ATOM 32 CG LEU A 23 -5.365 8.570 -8.527 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.229 9.483 -8.964 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.386 7.290 -9.342 1.00 0.00 C ATOM 0 H LEU A 23 -5.452 10.847 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.306 8.536 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.284 8.550 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.349 7.176 -6.893 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.301 9.099 -8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.320 9.693 -10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.277 10.417 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.274 8.994 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.455 7.535 -10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.471 6.727 -9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.247 6.688 -9.052 1.00 0.00 H new ATOM 46 N ARG A 24 -7.027 7.826 -4.174 1.00 0.00 N ATOM 47 CA ARG A 24 -7.008 7.504 -2.752 1.00 0.00 C ATOM 48 C ARG A 24 -6.359 6.149 -2.486 1.00 0.00 C ATOM 49 O ARG A 24 -6.754 5.131 -3.054 1.00 0.00 O ATOM 50 CB ARG A 24 -8.439 7.533 -2.202 1.00 0.00 C ATOM 51 CG ARG A 24 -8.565 7.093 -0.751 1.00 0.00 C ATOM 52 CD ARG A 24 -9.997 6.711 -0.408 1.00 0.00 C ATOM 53 NE ARG A 24 -10.065 5.478 0.374 1.00 0.00 N ATOM 54 CZ ARG A 24 -10.199 4.264 -0.158 1.00 0.00 C ATOM 55 NH1 ARG A 24 -10.268 4.108 -1.474 1.00 0.00 N ATOM 56 NH2 ARG A 24 -10.261 3.200 0.632 1.00 0.00 N ATOM 0 H ARG A 24 -7.748 7.338 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.405 8.254 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.831 8.546 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.065 6.889 -2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.907 6.244 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.235 7.899 -0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.464 7.521 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.569 6.589 -1.328 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.006 5.552 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.218 4.922 -2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.371 3.175 -1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.206 3.313 1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.364 2.269 0.227 1.00 0.00 H new ATOM 70 N LEU A 25 -5.366 6.152 -1.601 1.00 0.00 N ATOM 71 CA LEU A 25 -4.656 4.939 -1.226 1.00 0.00 C ATOM 72 C LEU A 25 -5.358 4.281 -0.042 1.00 0.00 C ATOM 73 O LEU A 25 -5.911 4.969 0.816 1.00 0.00 O ATOM 74 CB LEU A 25 -3.214 5.279 -0.858 1.00 0.00 C ATOM 75 CG LEU A 25 -2.206 4.156 -1.066 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.788 4.657 -0.843 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.510 2.990 -0.145 1.00 0.00 C ATOM 0 H LEU A 25 -5.034 6.992 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.652 4.246 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.900 6.141 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.185 5.581 0.189 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.288 3.811 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.085 3.839 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.571 5.460 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.691 5.032 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.780 2.198 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.459 3.323 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.510 2.611 -0.356 1.00 0.00 H new ATOM 89 N SER A 26 -5.350 2.954 0.002 1.00 0.00 N ATOM 90 CA SER A 26 -6.009 2.236 1.094 1.00 0.00 C ATOM 91 C SER A 26 -5.283 0.941 1.427 1.00 0.00 C ATOM 92 O SER A 26 -5.326 -0.018 0.661 1.00 0.00 O ATOM 93 CB SER A 26 -7.465 1.936 0.726 1.00 0.00 C ATOM 94 OG SER A 26 -7.888 2.723 -0.374 1.00 0.00 O ATOM 0 H SER A 26 -4.902 2.357 -0.694 1.00 0.00 H new ATOM 0 HA SER A 26 -5.982 2.876 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.571 0.879 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.108 2.131 1.585 1.00 0.00 H new ATOM 0 HG SER A 26 -7.800 3.673 -0.150 1.00 0.00 H new ATOM 100 N VAL A 27 -4.622 0.915 2.578 1.00 0.00 N ATOM 101 CA VAL A 27 -3.893 -0.271 3.000 1.00 0.00 C ATOM 102 C VAL A 27 -4.678 -1.082 4.027 1.00 0.00 C ATOM 103 O VAL A 27 -5.211 -0.536 4.993 1.00 0.00 O ATOM 104 CB VAL A 27 -2.513 0.086 3.578 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.639 0.760 4.936 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.654 -1.161 3.667 1.00 0.00 C ATOM 0 H VAL A 27 -4.577 1.697 3.231 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.754 -0.879 2.106 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.031 0.798 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.646 0.999 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.220 1.677 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.142 0.087 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.678 -0.902 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.138 -1.891 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.528 -1.588 2.672 1.00 0.00 H new ATOM 116 N PHE A 28 -4.753 -2.387 3.796 1.00 0.00 N ATOM 117 CA PHE A 28 -5.475 -3.285 4.672 1.00 0.00 C ATOM 118 C PHE A 28 -4.550 -4.259 5.390 1.00 0.00 C ATOM 119 O PHE A 28 -3.583 -4.744 4.818 1.00 0.00 O ATOM 120 CB PHE A 28 -6.491 -4.082 3.864 1.00 0.00 C ATOM 121 CG PHE A 28 -7.776 -4.247 4.595 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.562 -3.146 4.871 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.183 -5.493 5.033 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.737 -3.282 5.572 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.362 -5.639 5.732 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.142 -4.532 6.005 1.00 0.00 C ATOM 0 H PHE A 28 -4.315 -2.846 2.997 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.972 -2.671 5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.675 -3.578 2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.079 -5.063 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.251 -2.169 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.572 -6.359 4.826 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.343 -2.414 5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.675 -6.617 6.066 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.065 -4.642 6.555 1.00 0.00 H new ATOM 136 N ARG A 29 -4.882 -4.571 6.637 1.00 0.00 N ATOM 137 CA ARG A 29 -4.111 -5.532 7.415 1.00 0.00 C ATOM 138 C ARG A 29 -5.009 -6.219 8.437 1.00 0.00 C ATOM 139 O ARG A 29 -5.582 -5.566 9.309 1.00 0.00 O ATOM 140 CB ARG A 29 -2.910 -4.880 8.103 1.00 0.00 C ATOM 141 CG ARG A 29 -3.189 -3.510 8.688 1.00 0.00 C ATOM 142 CD ARG A 29 -1.915 -2.881 9.228 1.00 0.00 C ATOM 143 NE ARG A 29 -2.177 -1.622 9.917 1.00 0.00 N ATOM 144 CZ ARG A 29 -2.419 -0.477 9.288 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.416 -0.430 7.962 1.00 0.00 N ATOM 146 NH2 ARG A 29 -2.659 0.626 9.985 1.00 0.00 N ATOM 0 H ARG A 29 -5.680 -4.172 7.131 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.719 -6.279 6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.563 -5.538 8.900 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.097 -4.795 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.622 -2.865 7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.925 -3.595 9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.430 -3.576 9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.220 -2.707 8.406 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.174 -1.621 10.937 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.228 -1.275 7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.602 0.451 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.658 0.595 11.005 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.845 1.505 9.501 1.00 0.00 H new ATOM 160 N SER A 30 -5.136 -7.537 8.323 1.00 0.00 N ATOM 161 CA SER A 30 -5.976 -8.300 9.239 1.00 0.00 C ATOM 162 C SER A 30 -5.175 -8.759 10.453 1.00 0.00 C ATOM 163 O SER A 30 -5.696 -8.826 11.566 1.00 0.00 O ATOM 164 CB SER A 30 -6.578 -9.510 8.524 1.00 0.00 C ATOM 165 OG SER A 30 -7.876 -9.799 9.014 1.00 0.00 O ATOM 0 H SER A 30 -4.670 -8.097 7.609 1.00 0.00 H new ATOM 0 HA SER A 30 -6.782 -7.651 9.581 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.625 -9.317 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.932 -10.377 8.663 1.00 0.00 H new ATOM 0 HG SER A 30 -8.239 -10.576 8.539 1.00 0.00 H new ATOM 171 N LEU A 31 -3.903 -9.072 10.227 1.00 0.00 N ATOM 172 CA LEU A 31 -3.020 -9.524 11.296 1.00 0.00 C ATOM 173 C LEU A 31 -1.609 -9.748 10.765 1.00 0.00 C ATOM 174 O LEU A 31 -0.682 -9.014 11.105 1.00 0.00 O ATOM 175 CB LEU A 31 -3.556 -10.814 11.921 1.00 0.00 C ATOM 176 CG LEU A 31 -2.756 -11.332 13.119 1.00 0.00 C ATOM 177 CD1 LEU A 31 -3.691 -11.808 14.221 1.00 0.00 C ATOM 178 CD2 LEU A 31 -1.820 -12.453 12.691 1.00 0.00 C ATOM 0 H LEU A 31 -3.460 -9.021 9.310 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.986 -8.750 12.062 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.586 -10.647 12.236 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.578 -11.589 11.155 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.154 -10.512 13.511 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.104 -12.173 15.064 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.320 -10.980 14.548 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.320 -12.613 13.842 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.259 -12.809 13.555 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.403 -13.274 12.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.126 -12.080 11.937 1.00 0.00 H new ATOM 190 N LYS A 32 -1.457 -10.763 9.921 1.00 0.00 N ATOM 191 CA LYS A 32 -0.163 -11.082 9.331 1.00 0.00 C ATOM 192 C LYS A 32 -0.180 -10.849 7.820 1.00 0.00 C ATOM 193 O LYS A 32 0.716 -11.297 7.104 1.00 0.00 O ATOM 194 CB LYS A 32 0.215 -12.534 9.633 1.00 0.00 C ATOM 195 CG LYS A 32 1.244 -12.675 10.743 1.00 0.00 C ATOM 196 CD LYS A 32 1.616 -14.131 10.978 1.00 0.00 C ATOM 197 CE LYS A 32 3.109 -14.297 11.215 1.00 0.00 C ATOM 198 NZ LYS A 32 3.789 -14.928 10.051 1.00 0.00 N ATOM 0 H LYS A 32 -2.216 -11.380 9.630 1.00 0.00 H new ATOM 0 HA LYS A 32 0.583 -10.421 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.684 -13.085 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.605 -12.996 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.138 -12.107 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.848 -12.247 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.066 -14.513 11.838 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.315 -14.727 10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.556 -13.323 11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.270 -14.907 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.805 -15.023 10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.380 -15.869 9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.658 -14.333 9.208 1.00 0.00 H new ATOM 212 N HIS A 33 -1.204 -10.145 7.342 1.00 0.00 N ATOM 213 CA HIS A 33 -1.339 -9.852 5.920 1.00 0.00 C ATOM 214 C HIS A 33 -1.530 -8.357 5.695 1.00 0.00 C ATOM 215 O HIS A 33 -2.093 -7.665 6.541 1.00 0.00 O ATOM 216 CB HIS A 33 -2.530 -10.608 5.331 1.00 0.00 C ATOM 217 CG HIS A 33 -2.253 -12.051 5.047 1.00 0.00 C ATOM 218 ND1 HIS A 33 -1.059 -12.668 5.356 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.030 -13.001 4.477 1.00 0.00 C ATOM 220 CE1 HIS A 33 -1.114 -13.936 4.989 1.00 0.00 C ATOM 221 NE2 HIS A 33 -2.299 -14.163 4.454 1.00 0.00 N ATOM 0 H HIS A 33 -1.953 -9.767 7.922 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.424 -10.174 5.422 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.370 -10.539 6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.837 -10.119 4.407 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.259 -12.216 5.799 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.037 -12.870 4.109 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.324 -14.663 5.107 1.00 0.00 H new ATOM 230 N ILE A 34 -1.071 -7.868 4.547 1.00 0.00 N ATOM 231 CA ILE A 34 -1.208 -6.455 4.216 1.00 0.00 C ATOM 232 C ILE A 34 -1.583 -6.273 2.752 1.00 0.00 C ATOM 233 O ILE A 34 -1.144 -7.034 1.894 1.00 0.00 O ATOM 234 CB ILE A 34 0.073 -5.677 4.543 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.248 -6.184 3.706 1.00 0.00 C ATOM 236 CG2 ILE A 34 0.370 -5.812 6.026 1.00 0.00 C ATOM 237 CD1 ILE A 34 2.556 -5.494 4.029 1.00 0.00 C ATOM 0 H ILE A 34 -0.603 -8.427 3.834 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.013 -6.051 4.831 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.073 -4.625 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.362 -7.256 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.021 -6.041 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.280 -5.262 6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.462 -5.407 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.506 -6.864 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.347 -5.901 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.459 -4.424 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.805 -5.659 5.077 1.00 0.00 H new ATOM 249 N TYR A 35 -2.441 -5.291 2.484 1.00 0.00 N ATOM 250 CA TYR A 35 -2.927 -5.048 1.131 1.00 0.00 C ATOM 251 C TYR A 35 -3.069 -3.558 0.829 1.00 0.00 C ATOM 252 O TYR A 35 -3.996 -2.914 1.314 1.00 0.00 O ATOM 253 CB TYR A 35 -4.304 -5.715 0.961 1.00 0.00 C ATOM 254 CG TYR A 35 -4.439 -7.062 1.649 1.00 0.00 C ATOM 255 CD1 TYR A 35 -4.283 -7.179 3.025 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.721 -8.214 0.926 1.00 0.00 C ATOM 257 CE1 TYR A 35 -4.397 -8.395 3.661 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.840 -9.440 1.555 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.674 -9.526 2.922 1.00 0.00 C ATOM 260 OH TYR A 35 -4.792 -10.744 3.551 1.00 0.00 O ATOM 0 H TYR A 35 -2.813 -4.652 3.187 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.197 -5.468 0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.070 -5.044 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.503 -5.843 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.067 -6.296 3.609 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.849 -8.151 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.270 -8.463 4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.062 -10.326 0.979 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.989 -11.437 2.887 1.00 0.00 H new ATOM 270 N ALA A 36 -2.189 -3.017 -0.011 1.00 0.00 N ATOM 271 CA ALA A 36 -2.293 -1.614 -0.388 1.00 0.00 C ATOM 272 C ALA A 36 -3.084 -1.499 -1.671 1.00 0.00 C ATOM 273 O ALA A 36 -2.712 -2.062 -2.701 1.00 0.00 O ATOM 274 CB ALA A 36 -0.933 -0.953 -0.555 1.00 0.00 C ATOM 0 H ALA A 36 -1.410 -3.520 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.804 -1.091 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.068 0.091 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.384 -1.008 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.371 -1.469 -1.334 1.00 0.00 H new ATOM 280 N GLN A 37 -4.172 -0.769 -1.600 1.00 0.00 N ATOM 281 CA GLN A 37 -5.026 -0.572 -2.754 1.00 0.00 C ATOM 282 C GLN A 37 -5.017 0.882 -3.168 1.00 0.00 C ATOM 283 O GLN A 37 -5.414 1.763 -2.407 1.00 0.00 O ATOM 284 CB GLN A 37 -6.460 -1.021 -2.464 1.00 0.00 C ATOM 285 CG GLN A 37 -7.281 -1.282 -3.716 1.00 0.00 C ATOM 286 CD GLN A 37 -8.226 -2.457 -3.557 1.00 0.00 C ATOM 287 OE1 GLN A 37 -8.777 -2.684 -2.480 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.417 -3.213 -4.632 1.00 0.00 N ATOM 0 H GLN A 37 -4.490 -0.299 -0.753 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.635 -1.181 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.433 -1.929 -1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.957 -0.257 -1.866 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.855 -0.389 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.610 -1.471 -4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.940 -2.988 -5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.041 -4.018 -4.585 1.00 0.00 H new ATOM 297 N ILE A 38 -4.563 1.123 -4.379 1.00 0.00 N ATOM 298 CA ILE A 38 -4.498 2.466 -4.907 1.00 0.00 C ATOM 299 C ILE A 38 -5.664 2.688 -5.862 1.00 0.00 C ATOM 300 O ILE A 38 -5.683 2.168 -6.983 1.00 0.00 O ATOM 301 CB ILE A 38 -3.150 2.737 -5.605 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.054 1.773 -5.074 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.759 4.195 -5.406 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.088 2.368 -4.073 1.00 0.00 C ATOM 0 H ILE A 38 -4.232 0.401 -5.019 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.572 3.171 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.252 2.551 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.543 0.914 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.483 1.397 -5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.806 4.387 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.526 4.839 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.664 4.404 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.366 1.610 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.562 3.207 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.638 2.716 -3.199 1.00 0.00 H new ATOM 316 N ILE A 39 -6.661 3.420 -5.375 1.00 0.00 N ATOM 317 CA ILE A 39 -7.878 3.679 -6.137 1.00 0.00 C ATOM 318 C ILE A 39 -7.971 5.121 -6.626 1.00 0.00 C ATOM 319 O ILE A 39 -7.298 6.012 -6.112 1.00 0.00 O ATOM 320 CB ILE A 39 -9.122 3.381 -5.273 1.00 0.00 C ATOM 321 CG1 ILE A 39 -8.970 2.034 -4.565 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.386 3.402 -6.118 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.257 2.135 -3.234 1.00 0.00 C ATOM 0 H ILE A 39 -6.649 3.847 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.841 3.023 -7.006 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.208 4.162 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.958 1.600 -4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.421 1.351 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.249 3.189 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.503 4.385 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.313 2.646 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.183 1.145 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.257 2.540 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -8.817 2.793 -2.570 1.00 0.00 H new ATOM 335 N ASP A 40 -8.841 5.335 -7.609 1.00 0.00 N ATOM 336 CA ASP A 40 -9.077 6.656 -8.167 1.00 0.00 C ATOM 337 C ASP A 40 -10.245 7.303 -7.435 1.00 0.00 C ATOM 338 O ASP A 40 -11.384 6.822 -7.517 1.00 0.00 O ATOM 339 CB ASP A 40 -9.380 6.568 -9.665 1.00 0.00 C ATOM 340 CG ASP A 40 -9.019 7.842 -10.404 1.00 0.00 C ATOM 341 OD1 ASP A 40 -7.819 8.050 -10.679 1.00 0.00 O ATOM 342 OD2 ASP A 40 -9.938 8.633 -10.707 1.00 0.00 O ATOM 0 H ASP A 40 -9.399 4.597 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.180 7.261 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.828 5.733 -10.096 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.440 6.357 -9.807 1.00 0.00 H new ATOM 347 N ASP A 41 -9.933 8.374 -6.703 1.00 0.00 N ATOM 348 CA ASP A 41 -10.916 9.112 -5.907 1.00 0.00 C ATOM 349 C ASP A 41 -11.519 10.283 -6.679 1.00 0.00 C ATOM 350 O ASP A 41 -12.034 11.232 -6.088 1.00 0.00 O ATOM 351 CB ASP A 41 -10.271 9.621 -4.618 1.00 0.00 C ATOM 352 CG ASP A 41 -11.216 9.556 -3.434 1.00 0.00 C ATOM 353 OD1 ASP A 41 -11.649 8.438 -3.081 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.523 10.621 -2.860 1.00 0.00 O ATOM 0 H ASP A 41 -8.989 8.755 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.725 8.421 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.381 9.030 -4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.943 10.650 -4.761 1.00 0.00 H new ATOM 359 N GLU A 42 -11.501 10.178 -7.996 1.00 0.00 N ATOM 360 CA GLU A 42 -12.095 11.186 -8.870 1.00 0.00 C ATOM 361 C GLU A 42 -13.301 10.520 -9.486 1.00 0.00 C ATOM 362 O GLU A 42 -14.426 11.017 -9.442 1.00 0.00 O ATOM 363 CB GLU A 42 -11.104 11.636 -9.947 1.00 0.00 C ATOM 364 CG GLU A 42 -11.728 12.508 -11.024 1.00 0.00 C ATOM 365 CD GLU A 42 -10.697 13.304 -11.800 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.302 14.389 -11.322 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.285 12.844 -12.886 1.00 0.00 O ATOM 0 H GLU A 42 -11.076 9.395 -8.493 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.369 12.086 -8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.290 12.185 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.664 10.755 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.291 11.880 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.440 13.193 -10.564 1.00 0.00 H new ATOM 374 N LYS A 43 -13.028 9.321 -9.961 1.00 0.00 N ATOM 375 CA LYS A 43 -14.017 8.431 -10.498 1.00 0.00 C ATOM 376 C LYS A 43 -13.734 7.099 -9.834 1.00 0.00 C ATOM 377 O LYS A 43 -12.637 6.564 -9.980 1.00 0.00 O ATOM 378 CB LYS A 43 -13.891 8.319 -12.019 1.00 0.00 C ATOM 379 CG LYS A 43 -14.727 9.338 -12.777 1.00 0.00 C ATOM 380 CD LYS A 43 -13.935 9.990 -13.899 1.00 0.00 C ATOM 381 CE LYS A 43 -13.457 8.965 -14.914 1.00 0.00 C ATOM 382 NZ LYS A 43 -12.892 9.609 -16.132 1.00 0.00 N ATOM 0 H LYS A 43 -12.084 8.936 -9.981 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.031 8.782 -10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.844 8.441 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.189 7.317 -12.327 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.610 8.850 -13.190 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.080 10.105 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.555 10.735 -14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.077 10.517 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.700 8.327 -14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.289 8.320 -15.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.578 8.875 -16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.621 10.198 -16.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.082 10.205 -15.866 1.00 0.00 H new ATOM 396 N GLY A 44 -14.687 6.585 -9.071 1.00 0.00 N ATOM 397 CA GLY A 44 -14.462 5.336 -8.366 1.00 0.00 C ATOM 398 C GLY A 44 -13.807 4.289 -9.240 1.00 0.00 C ATOM 399 O GLY A 44 -14.491 3.538 -9.934 1.00 0.00 O ATOM 0 H GLY A 44 -15.605 7.005 -8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.834 5.522 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.414 4.954 -7.997 1.00 0.00 H new ATOM 403 N VAL A 45 -12.474 4.259 -9.236 1.00 0.00 N ATOM 404 CA VAL A 45 -11.753 3.307 -10.078 1.00 0.00 C ATOM 405 C VAL A 45 -10.523 2.715 -9.394 1.00 0.00 C ATOM 406 O VAL A 45 -9.531 3.404 -9.190 1.00 0.00 O ATOM 407 CB VAL A 45 -11.297 3.995 -11.381 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.499 3.036 -12.255 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.494 4.547 -12.142 1.00 0.00 C ATOM 0 H VAL A 45 -11.883 4.869 -8.672 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.449 2.494 -10.284 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.646 4.827 -11.114 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.190 3.547 -13.167 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.617 2.697 -11.712 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.119 2.177 -12.512 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.152 5.029 -13.058 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.173 3.732 -12.392 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.015 5.276 -11.521 1.00 0.00 H new ATOM 419 N THR A 46 -10.568 1.420 -9.093 1.00 0.00 N ATOM 420 CA THR A 46 -9.424 0.749 -8.485 1.00 0.00 C ATOM 421 C THR A 46 -8.394 0.444 -9.565 1.00 0.00 C ATOM 422 O THR A 46 -8.680 -0.289 -10.513 1.00 0.00 O ATOM 423 CB THR A 46 -9.855 -0.541 -7.782 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.131 -0.385 -7.187 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.893 -0.985 -6.698 1.00 0.00 C ATOM 0 H THR A 46 -11.376 0.820 -9.258 1.00 0.00 H new ATOM 0 HA THR A 46 -8.985 1.406 -7.734 1.00 0.00 H new ATOM 0 HB THR A 46 -9.873 -1.302 -8.562 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.390 -1.220 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.259 -1.905 -6.241 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.910 -1.163 -7.134 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.817 -0.207 -5.938 1.00 0.00 H new ATOM 433 N LEU A 47 -7.207 1.028 -9.443 1.00 0.00 N ATOM 434 CA LEU A 47 -6.166 0.828 -10.445 1.00 0.00 C ATOM 435 C LEU A 47 -5.197 -0.279 -10.055 1.00 0.00 C ATOM 436 O LEU A 47 -5.001 -1.231 -10.810 1.00 0.00 O ATOM 437 CB LEU A 47 -5.400 2.128 -10.689 1.00 0.00 C ATOM 438 CG LEU A 47 -6.230 3.397 -10.557 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.197 3.919 -9.131 1.00 0.00 C ATOM 440 CD2 LEU A 47 -5.742 4.456 -11.530 1.00 0.00 C ATOM 0 H LEU A 47 -6.943 1.638 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.664 0.522 -11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.569 2.180 -9.985 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.969 2.096 -11.690 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.264 3.156 -10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.797 4.826 -9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.602 3.164 -8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.168 4.142 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.347 5.356 -11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.699 4.692 -11.318 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.829 4.081 -12.550 1.00 0.00 H new ATOM 452 N VAL A 48 -4.572 -0.148 -8.890 1.00 0.00 N ATOM 453 CA VAL A 48 -3.611 -1.142 -8.445 1.00 0.00 C ATOM 454 C VAL A 48 -3.910 -1.633 -7.032 1.00 0.00 C ATOM 455 O VAL A 48 -4.360 -0.872 -6.176 1.00 0.00 O ATOM 456 CB VAL A 48 -2.176 -0.575 -8.517 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.290 -1.155 -7.425 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.582 -0.835 -9.891 1.00 0.00 C ATOM 0 H VAL A 48 -4.713 0.629 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.695 -1.997 -9.116 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.228 0.501 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.288 -0.733 -7.507 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.708 -0.910 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.238 -2.238 -7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.570 -0.432 -9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.553 -1.909 -10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.196 -0.352 -10.650 1.00 0.00 H new ATOM 468 N SER A 49 -3.638 -2.913 -6.802 1.00 0.00 N ATOM 469 CA SER A 49 -3.855 -3.525 -5.500 1.00 0.00 C ATOM 470 C SER A 49 -2.858 -4.657 -5.271 1.00 0.00 C ATOM 471 O SER A 49 -2.887 -5.673 -5.966 1.00 0.00 O ATOM 472 CB SER A 49 -5.286 -4.054 -5.392 1.00 0.00 C ATOM 473 OG SER A 49 -5.591 -4.925 -6.468 1.00 0.00 O ATOM 0 H SER A 49 -3.264 -3.549 -7.507 1.00 0.00 H new ATOM 0 HA SER A 49 -3.704 -2.766 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.412 -4.581 -4.446 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.986 -3.219 -5.387 1.00 0.00 H new ATOM 0 HG SER A 49 -4.862 -5.569 -6.584 1.00 0.00 H new ATOM 479 N ALA A 50 -1.979 -4.476 -4.293 1.00 0.00 N ATOM 480 CA ALA A 50 -0.973 -5.481 -3.969 1.00 0.00 C ATOM 481 C ALA A 50 -1.021 -5.830 -2.488 1.00 0.00 C ATOM 482 O ALA A 50 -1.368 -4.990 -1.658 1.00 0.00 O ATOM 483 CB ALA A 50 0.414 -4.990 -4.358 1.00 0.00 C ATOM 0 H ALA A 50 -1.942 -3.641 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.192 -6.383 -4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.153 -5.752 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.443 -4.793 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.641 -4.073 -3.814 1.00 0.00 H new ATOM 489 N SER A 51 -0.687 -7.072 -2.157 1.00 0.00 N ATOM 490 CA SER A 51 -0.715 -7.510 -0.768 1.00 0.00 C ATOM 491 C SER A 51 0.317 -8.599 -0.490 1.00 0.00 C ATOM 492 O SER A 51 0.459 -9.545 -1.264 1.00 0.00 O ATOM 493 CB SER A 51 -2.110 -8.026 -0.418 1.00 0.00 C ATOM 494 OG SER A 51 -2.574 -8.943 -1.394 1.00 0.00 O ATOM 0 H SER A 51 -0.397 -7.787 -2.824 1.00 0.00 H new ATOM 0 HA SER A 51 -0.466 -6.650 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.088 -8.510 0.559 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.803 -7.188 -0.343 1.00 0.00 H new ATOM 0 HG SER A 51 -3.291 -9.492 -1.013 1.00 0.00 H new ATOM 500 N SER A 52 1.019 -8.466 0.637 1.00 0.00 N ATOM 501 CA SER A 52 2.025 -9.449 1.043 1.00 0.00 C ATOM 502 C SER A 52 1.500 -10.873 0.856 1.00 0.00 C ATOM 503 O SER A 52 2.265 -11.795 0.572 1.00 0.00 O ATOM 504 CB SER A 52 2.413 -9.229 2.506 1.00 0.00 C ATOM 505 OG SER A 52 3.266 -8.105 2.646 1.00 0.00 O ATOM 0 H SER A 52 0.909 -7.686 1.285 1.00 0.00 H new ATOM 0 HA SER A 52 2.904 -9.318 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.514 -9.084 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.913 -10.118 2.890 1.00 0.00 H new ATOM 0 HG SER A 52 3.562 -8.033 3.578 1.00 0.00 H new ATOM 511 N LEU A 53 0.188 -11.042 1.011 1.00 0.00 N ATOM 512 CA LEU A 53 -0.439 -12.351 0.853 1.00 0.00 C ATOM 513 C LEU A 53 -0.140 -12.926 -0.527 1.00 0.00 C ATOM 514 O LEU A 53 0.503 -13.969 -0.648 1.00 0.00 O ATOM 515 CB LEU A 53 -1.953 -12.251 1.071 1.00 0.00 C ATOM 516 CG LEU A 53 -2.731 -13.563 0.915 1.00 0.00 C ATOM 517 CD1 LEU A 53 -2.945 -13.887 -0.556 1.00 0.00 C ATOM 518 CD2 LEU A 53 -2.008 -14.707 1.614 1.00 0.00 C ATOM 0 H LEU A 53 -0.460 -10.290 1.245 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.023 -13.022 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.133 -11.859 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.357 -11.524 0.367 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.706 -13.437 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.499 -14.822 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.511 -13.083 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.979 -13.989 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.578 -15.628 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.017 -14.832 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.910 -14.481 2.676 1.00 0.00 H new ATOM 530 N ALA A 54 -0.591 -12.232 -1.569 1.00 0.00 N ATOM 531 CA ALA A 54 -0.349 -12.672 -2.939 1.00 0.00 C ATOM 532 C ALA A 54 1.149 -12.786 -3.194 1.00 0.00 C ATOM 533 O ALA A 54 1.597 -13.573 -4.028 1.00 0.00 O ATOM 534 CB ALA A 54 -0.983 -11.706 -3.928 1.00 0.00 C ATOM 0 H ALA A 54 -1.124 -11.366 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.805 -13.653 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.793 -12.049 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.058 -11.662 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.553 -10.713 -3.794 1.00 0.00 H new ATOM 540 N LEU A 55 1.913 -11.991 -2.453 1.00 0.00 N ATOM 541 CA LEU A 55 3.363 -11.980 -2.562 1.00 0.00 C ATOM 542 C LEU A 55 3.994 -12.975 -1.592 1.00 0.00 C ATOM 543 O LEU A 55 5.205 -12.943 -1.380 1.00 0.00 O ATOM 544 CB LEU A 55 3.898 -10.578 -2.285 1.00 0.00 C ATOM 545 CG LEU A 55 4.021 -9.688 -3.514 1.00 0.00 C ATOM 546 CD1 LEU A 55 2.710 -8.968 -3.790 1.00 0.00 C ATOM 547 CD2 LEU A 55 5.150 -8.696 -3.323 1.00 0.00 C ATOM 0 H LEU A 55 1.543 -11.338 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 55 3.628 -12.275 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.242 -10.090 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.878 -10.664 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 55 4.248 -10.313 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.820 -8.337 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.922 -9.701 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.447 -8.349 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.232 -8.063 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.946 -8.076 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.086 -9.234 -3.175 1.00 0.00 H new ATOM 559 N LYS A 56 3.156 -13.840 -1.000 1.00 0.00 N ATOM 560 CA LYS A 56 3.586 -14.849 -0.018 1.00 0.00 C ATOM 561 C LYS A 56 5.080 -14.773 0.293 1.00 0.00 C ATOM 562 O LYS A 56 5.836 -15.710 0.032 1.00 0.00 O ATOM 563 CB LYS A 56 3.237 -16.250 -0.526 1.00 0.00 C ATOM 564 CG LYS A 56 1.847 -16.714 -0.126 1.00 0.00 C ATOM 565 CD LYS A 56 1.628 -18.179 -0.471 1.00 0.00 C ATOM 566 CE LYS A 56 0.719 -18.860 0.538 1.00 0.00 C ATOM 567 NZ LYS A 56 1.483 -19.722 1.482 1.00 0.00 N ATOM 0 H LYS A 56 2.154 -13.860 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 56 3.053 -14.639 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.316 -16.263 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.971 -16.959 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.707 -16.566 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.099 -16.104 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.191 -18.258 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.588 -18.694 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.170 -18.104 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.019 -19.464 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.826 -20.168 2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.987 -20.459 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.170 -19.141 2.004 1.00 0.00 H new ATOM 581 N LEU A 57 5.487 -13.643 0.861 1.00 0.00 N ATOM 582 CA LEU A 57 6.884 -13.420 1.225 1.00 0.00 C ATOM 583 C LEU A 57 7.368 -14.506 2.182 1.00 0.00 C ATOM 584 O LEU A 57 6.570 -15.137 2.874 1.00 0.00 O ATOM 585 CB LEU A 57 7.076 -12.035 1.870 1.00 0.00 C ATOM 586 CG LEU A 57 5.824 -11.372 2.430 1.00 0.00 C ATOM 587 CD1 LEU A 57 6.188 -10.464 3.592 1.00 0.00 C ATOM 588 CD2 LEU A 57 5.096 -10.593 1.345 1.00 0.00 C ATOM 0 H LEU A 57 4.867 -12.863 1.081 1.00 0.00 H new ATOM 0 HA LEU A 57 7.475 -13.460 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.802 -12.131 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.512 -11.369 1.126 1.00 0.00 H new ATOM 0 HG LEU A 57 5.152 -12.149 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.285 -9.995 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.663 -11.051 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.877 -9.693 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.205 -10.128 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.755 -9.821 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.806 -11.271 0.543 1.00 0.00 H new ATOM 600 N LYS A 58 8.680 -14.719 2.215 1.00 0.00 N ATOM 601 CA LYS A 58 9.267 -15.729 3.089 1.00 0.00 C ATOM 602 C LYS A 58 10.197 -15.088 4.114 1.00 0.00 C ATOM 603 O LYS A 58 11.398 -14.955 3.880 1.00 0.00 O ATOM 604 CB LYS A 58 10.029 -16.768 2.262 1.00 0.00 C ATOM 605 CG LYS A 58 9.502 -18.184 2.431 1.00 0.00 C ATOM 606 CD LYS A 58 10.486 -19.213 1.900 1.00 0.00 C ATOM 607 CE LYS A 58 11.608 -19.475 2.892 1.00 0.00 C ATOM 608 NZ LYS A 58 12.796 -18.618 2.627 1.00 0.00 N ATOM 0 H LYS A 58 9.356 -14.207 1.648 1.00 0.00 H new ATOM 0 HA LYS A 58 8.459 -16.227 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.976 -16.492 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.081 -16.745 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.307 -18.377 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.551 -18.284 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.961 -20.145 1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.907 -18.863 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.247 -19.292 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.899 -20.524 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.632 -19.219 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.628 -18.045 1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.959 -17.990 3.440 1.00 0.00 H new ATOM 622 N GLY A 59 9.634 -14.694 5.252 1.00 0.00 N ATOM 623 CA GLY A 59 10.426 -14.072 6.296 1.00 0.00 C ATOM 624 C GLY A 59 9.569 -13.432 7.371 1.00 0.00 C ATOM 625 O GLY A 59 9.047 -14.119 8.249 1.00 0.00 O ATOM 0 H GLY A 59 8.643 -14.795 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.074 -14.821 6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.074 -13.315 5.854 1.00 0.00 H new ATOM 629 N ASN A 60 9.423 -12.113 7.300 1.00 0.00 N ATOM 630 CA ASN A 60 8.622 -11.379 8.274 1.00 0.00 C ATOM 631 C ASN A 60 7.437 -10.695 7.597 1.00 0.00 C ATOM 632 O ASN A 60 7.147 -10.949 6.428 1.00 0.00 O ATOM 633 CB ASN A 60 9.486 -10.341 8.996 1.00 0.00 C ATOM 634 CG ASN A 60 9.582 -10.603 10.486 1.00 0.00 C ATOM 635 OD1 ASN A 60 10.176 -11.591 10.918 1.00 0.00 O ATOM 636 ND2 ASN A 60 8.995 -9.716 11.282 1.00 0.00 N ATOM 0 H ASN A 60 9.848 -11.530 6.579 1.00 0.00 H new ATOM 0 HA ASN A 60 8.237 -12.090 9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.487 -10.342 8.565 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.069 -9.347 8.831 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.026 -9.840 12.294 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.513 -8.911 10.881 1.00 0.00 H new ATOM 643 N LYS A 61 6.757 -9.828 8.340 1.00 0.00 N ATOM 644 CA LYS A 61 5.604 -9.109 7.811 1.00 0.00 C ATOM 645 C LYS A 61 6.006 -7.720 7.324 1.00 0.00 C ATOM 646 O LYS A 61 5.965 -7.435 6.127 1.00 0.00 O ATOM 647 CB LYS A 61 4.516 -8.992 8.880 1.00 0.00 C ATOM 648 CG LYS A 61 4.166 -10.318 9.538 1.00 0.00 C ATOM 649 CD LYS A 61 4.031 -10.176 11.047 1.00 0.00 C ATOM 650 CE LYS A 61 5.181 -10.852 11.777 1.00 0.00 C ATOM 651 NZ LYS A 61 5.148 -10.578 13.240 1.00 0.00 N ATOM 0 H LYS A 61 6.984 -9.606 9.309 1.00 0.00 H new ATOM 0 HA LYS A 61 5.213 -9.672 6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.845 -8.291 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.618 -8.571 8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.232 -10.696 9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.937 -11.053 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.002 -9.119 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.086 -10.613 11.371 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.136 -11.928 11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.128 -10.504 11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.948 -11.056 13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.217 -9.553 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.256 -10.933 13.640 1.00 0.00 H new ATOM 665 N THR A 62 6.395 -6.860 8.260 1.00 0.00 N ATOM 666 CA THR A 62 6.806 -5.501 7.927 1.00 0.00 C ATOM 667 C THR A 62 8.103 -5.498 7.120 1.00 0.00 C ATOM 668 O THR A 62 8.441 -4.503 6.478 1.00 0.00 O ATOM 669 CB THR A 62 6.987 -4.675 9.202 1.00 0.00 C ATOM 670 OG1 THR A 62 7.953 -5.268 10.051 1.00 0.00 O ATOM 671 CG2 THR A 62 5.710 -4.517 9.999 1.00 0.00 C ATOM 0 H THR A 62 6.434 -7.080 9.255 1.00 0.00 H new ATOM 0 HA THR A 62 6.021 -5.055 7.316 1.00 0.00 H new ATOM 0 HB THR A 62 7.310 -3.690 8.865 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.056 -4.724 10.860 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.909 -3.921 10.890 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.959 -4.016 9.388 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.341 -5.499 10.294 1.00 0.00 H new ATOM 679 N GLU A 63 8.828 -6.613 7.158 1.00 0.00 N ATOM 680 CA GLU A 63 10.088 -6.734 6.432 1.00 0.00 C ATOM 681 C GLU A 63 9.905 -6.422 4.949 1.00 0.00 C ATOM 682 O GLU A 63 10.655 -5.632 4.375 1.00 0.00 O ATOM 683 CB GLU A 63 10.664 -8.141 6.600 1.00 0.00 C ATOM 684 CG GLU A 63 12.175 -8.202 6.450 1.00 0.00 C ATOM 685 CD GLU A 63 12.657 -7.599 5.145 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.919 -6.378 5.116 1.00 0.00 O ATOM 687 OE2 GLU A 63 12.772 -8.348 4.152 1.00 0.00 O ATOM 0 H GLU A 63 8.564 -7.446 7.684 1.00 0.00 H new ATOM 0 HA GLU A 63 10.785 -6.008 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.389 -8.522 7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.207 -8.802 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.640 -7.675 7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.500 -9.241 6.508 1.00 0.00 H new ATOM 694 N VAL A 64 8.907 -7.048 4.332 1.00 0.00 N ATOM 695 CA VAL A 64 8.637 -6.833 2.915 1.00 0.00 C ATOM 696 C VAL A 64 7.588 -5.750 2.700 1.00 0.00 C ATOM 697 O VAL A 64 7.496 -5.191 1.612 1.00 0.00 O ATOM 698 CB VAL A 64 8.159 -8.125 2.223 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.847 -7.868 0.752 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.199 -9.225 2.372 1.00 0.00 C ATOM 0 H VAL A 64 8.275 -7.705 4.789 1.00 0.00 H new ATOM 0 HA VAL A 64 9.581 -6.515 2.472 1.00 0.00 H new ATOM 0 HB VAL A 64 7.241 -8.455 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.512 -8.794 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.062 -7.116 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.744 -7.510 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.845 -10.130 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.135 -8.905 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.363 -9.430 3.430 1.00 0.00 H new ATOM 710 N ALA A 65 6.793 -5.463 3.732 1.00 0.00 N ATOM 711 CA ALA A 65 5.744 -4.447 3.632 1.00 0.00 C ATOM 712 C ALA A 65 6.162 -3.299 2.723 1.00 0.00 C ATOM 713 O ALA A 65 5.370 -2.798 1.931 1.00 0.00 O ATOM 714 CB ALA A 65 5.381 -3.920 5.003 1.00 0.00 C ATOM 0 H ALA A 65 6.855 -5.918 4.643 1.00 0.00 H new ATOM 0 HA ALA A 65 4.868 -4.923 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.600 -3.166 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.020 -4.740 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.261 -3.474 5.466 1.00 0.00 H new ATOM 720 N ARG A 66 7.421 -2.908 2.821 1.00 0.00 N ATOM 721 CA ARG A 66 7.940 -1.843 1.981 1.00 0.00 C ATOM 722 C ARG A 66 7.980 -2.317 0.552 1.00 0.00 C ATOM 723 O ARG A 66 7.320 -1.767 -0.325 1.00 0.00 O ATOM 724 CB ARG A 66 9.335 -1.440 2.421 1.00 0.00 C ATOM 725 CG ARG A 66 9.544 0.053 2.381 1.00 0.00 C ATOM 726 CD ARG A 66 10.721 0.423 1.515 1.00 0.00 C ATOM 727 NE ARG A 66 11.970 -0.159 2.002 1.00 0.00 N ATOM 728 CZ ARG A 66 12.684 0.349 3.003 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.276 1.447 3.628 1.00 0.00 N ATOM 730 NH2 ARG A 66 13.808 -0.242 3.382 1.00 0.00 N ATOM 0 H ARG A 66 8.099 -3.309 3.469 1.00 0.00 H new ATOM 0 HA ARG A 66 7.287 -0.975 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.512 -1.801 3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.070 -1.924 1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.645 0.537 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.704 0.426 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.539 0.086 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.817 1.508 1.480 1.00 0.00 H new ATOM 0 HE ARG A 66 12.315 -1.005 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.411 1.905 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.827 1.832 4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.126 -1.086 2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.355 0.148 4.149 1.00 0.00 H new ATOM 744 N GLN A 67 8.740 -3.374 0.337 1.00 0.00 N ATOM 745 CA GLN A 67 8.848 -3.971 -0.979 1.00 0.00 C ATOM 746 C GLN A 67 7.454 -4.191 -1.556 1.00 0.00 C ATOM 747 O GLN A 67 7.273 -4.226 -2.775 1.00 0.00 O ATOM 748 CB GLN A 67 9.607 -5.297 -0.906 1.00 0.00 C ATOM 749 CG GLN A 67 11.109 -5.149 -1.088 1.00 0.00 C ATOM 750 CD GLN A 67 11.899 -6.122 -0.235 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.148 -7.258 -0.638 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.297 -5.680 0.953 1.00 0.00 N ATOM 0 H GLN A 67 9.292 -3.837 1.059 1.00 0.00 H new ATOM 0 HA GLN A 67 9.403 -3.296 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.411 -5.766 0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.221 -5.970 -1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.361 -5.304 -2.137 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.403 -4.130 -0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.068 -4.730 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.831 -6.290 1.571 1.00 0.00 H new ATOM 761 N VAL A 68 6.454 -4.311 -0.673 1.00 0.00 N ATOM 762 CA VAL A 68 5.090 -4.496 -1.134 1.00 0.00 C ATOM 763 C VAL A 68 4.525 -3.167 -1.622 1.00 0.00 C ATOM 764 O VAL A 68 3.790 -3.118 -2.609 1.00 0.00 O ATOM 765 CB VAL A 68 4.159 -5.142 -0.065 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.442 -4.118 0.814 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.140 -6.027 -0.757 1.00 0.00 C ATOM 0 H VAL A 68 6.568 -4.283 0.340 1.00 0.00 H new ATOM 0 HA VAL A 68 5.125 -5.204 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 68 4.795 -5.728 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.811 -4.636 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.179 -3.514 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.824 -3.472 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.487 -6.481 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.544 -5.427 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.656 -6.810 -1.312 1.00 0.00 H new ATOM 777 N GLY A 69 4.905 -2.081 -0.945 1.00 0.00 N ATOM 778 CA GLY A 69 4.448 -0.770 -1.351 1.00 0.00 C ATOM 779 C GLY A 69 5.206 -0.286 -2.553 1.00 0.00 C ATOM 780 O GLY A 69 4.647 0.376 -3.406 1.00 0.00 O ATOM 0 H GLY A 69 5.517 -2.091 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.383 -0.806 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.574 -0.066 -0.529 1.00 0.00 H new ATOM 784 N ARG A 70 6.492 -0.619 -2.615 1.00 0.00 N ATOM 785 CA ARG A 70 7.318 -0.212 -3.738 1.00 0.00 C ATOM 786 C ARG A 70 6.806 -0.891 -4.994 1.00 0.00 C ATOM 787 O ARG A 70 6.797 -0.302 -6.073 1.00 0.00 O ATOM 788 CB ARG A 70 8.794 -0.550 -3.484 1.00 0.00 C ATOM 789 CG ARG A 70 9.186 -1.974 -3.846 1.00 0.00 C ATOM 790 CD ARG A 70 9.679 -2.070 -5.281 1.00 0.00 C ATOM 791 NE ARG A 70 10.289 -3.367 -5.565 1.00 0.00 N ATOM 792 CZ ARG A 70 10.456 -3.855 -6.792 1.00 0.00 C ATOM 793 NH1 ARG A 70 10.064 -3.157 -7.851 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.017 -5.044 -6.961 1.00 0.00 N ATOM 0 H ARG A 70 6.978 -1.166 -1.904 1.00 0.00 H new ATOM 0 HA ARG A 70 7.255 0.869 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.415 0.141 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.016 -0.382 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.966 -2.321 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.329 -2.634 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.845 -1.905 -5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.405 -1.279 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 70 10.605 -3.932 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.632 -2.241 -7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.195 -3.536 -8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.320 -5.585 -6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.145 -5.418 -7.901 1.00 0.00 H new ATOM 808 N ALA A 71 6.350 -2.130 -4.833 1.00 0.00 N ATOM 809 CA ALA A 71 5.802 -2.883 -5.943 1.00 0.00 C ATOM 810 C ALA A 71 4.551 -2.195 -6.468 1.00 0.00 C ATOM 811 O ALA A 71 4.469 -1.861 -7.649 1.00 0.00 O ATOM 812 CB ALA A 71 5.485 -4.305 -5.518 1.00 0.00 C ATOM 0 H ALA A 71 6.352 -2.628 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 71 6.545 -2.923 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.074 -4.855 -6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.397 -4.794 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.756 -4.289 -4.708 1.00 0.00 H new ATOM 818 N LEU A 72 3.585 -1.958 -5.575 1.00 0.00 N ATOM 819 CA LEU A 72 2.357 -1.286 -5.962 1.00 0.00 C ATOM 820 C LEU A 72 2.686 0.113 -6.437 1.00 0.00 C ATOM 821 O LEU A 72 2.204 0.558 -7.471 1.00 0.00 O ATOM 822 CB LEU A 72 1.346 -1.241 -4.810 1.00 0.00 C ATOM 823 CG LEU A 72 1.914 -1.051 -3.408 1.00 0.00 C ATOM 824 CD1 LEU A 72 1.644 0.360 -2.915 1.00 0.00 C ATOM 825 CD2 LEU A 72 1.300 -2.068 -2.458 1.00 0.00 C ATOM 0 H LEU A 72 3.635 -2.221 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 72 1.893 -1.850 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.643 -0.431 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.774 -2.169 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 72 2.993 -1.205 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.055 0.480 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.114 1.077 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.569 0.537 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.711 -1.926 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.219 -1.932 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.530 -3.075 -2.805 1.00 0.00 H new ATOM 837 N ALA A 73 3.546 0.788 -5.689 1.00 0.00 N ATOM 838 CA ALA A 73 3.983 2.131 -6.057 1.00 0.00 C ATOM 839 C ALA A 73 4.591 2.109 -7.443 1.00 0.00 C ATOM 840 O ALA A 73 4.536 3.095 -8.172 1.00 0.00 O ATOM 841 CB ALA A 73 4.973 2.687 -5.042 1.00 0.00 C ATOM 0 H ALA A 73 3.955 0.431 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 73 3.114 2.789 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.280 3.688 -5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.501 2.733 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.848 2.039 -4.994 1.00 0.00 H new ATOM 847 N GLU A 74 5.138 0.961 -7.811 1.00 0.00 N ATOM 848 CA GLU A 74 5.719 0.783 -9.118 1.00 0.00 C ATOM 849 C GLU A 74 4.603 0.695 -10.151 1.00 0.00 C ATOM 850 O GLU A 74 4.737 1.165 -11.281 1.00 0.00 O ATOM 851 CB GLU A 74 6.547 -0.490 -9.124 1.00 0.00 C ATOM 852 CG GLU A 74 7.651 -0.484 -10.159 1.00 0.00 C ATOM 853 CD GLU A 74 7.975 -1.870 -10.680 1.00 0.00 C ATOM 854 OE1 GLU A 74 7.052 -2.548 -11.179 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.152 -2.278 -10.588 1.00 0.00 O ATOM 0 H GLU A 74 5.188 0.137 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 74 6.364 1.627 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.986 -0.634 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.891 -1.341 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.357 0.153 -10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.549 -0.045 -9.723 1.00 0.00 H new ATOM 862 N LYS A 75 3.492 0.098 -9.729 1.00 0.00 N ATOM 863 CA LYS A 75 2.316 -0.056 -10.576 1.00 0.00 C ATOM 864 C LYS A 75 1.570 1.259 -10.674 1.00 0.00 C ATOM 865 O LYS A 75 1.458 1.848 -11.748 1.00 0.00 O ATOM 866 CB LYS A 75 1.391 -1.113 -9.994 1.00 0.00 C ATOM 867 CG LYS A 75 2.126 -2.298 -9.421 1.00 0.00 C ATOM 868 CD LYS A 75 1.166 -3.332 -8.862 1.00 0.00 C ATOM 869 CE LYS A 75 1.834 -4.688 -8.703 1.00 0.00 C ATOM 870 NZ LYS A 75 1.438 -5.357 -7.432 1.00 0.00 N ATOM 0 H LYS A 75 3.383 -0.291 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 75 2.641 -0.364 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.780 -0.661 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.710 -1.458 -10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.743 -2.754 -10.196 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.800 -1.963 -8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.790 -2.995 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.305 -3.425 -9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.568 -5.325 -9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.917 -4.564 -8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.731 -6.355 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.901 -4.882 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.406 -5.302 -7.318 1.00 0.00 H new ATOM 884 N ALA A 76 1.075 1.717 -9.529 1.00 0.00 N ATOM 885 CA ALA A 76 0.350 2.985 -9.454 1.00 0.00 C ATOM 886 C ALA A 76 1.093 4.037 -10.256 1.00 0.00 C ATOM 887 O ALA A 76 0.505 4.822 -11.001 1.00 0.00 O ATOM 888 CB ALA A 76 0.210 3.446 -8.010 1.00 0.00 C ATOM 0 H ALA A 76 1.162 1.229 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.649 2.841 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.333 4.391 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.337 2.695 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.200 3.582 -7.574 1.00 0.00 H new ATOM 894 N LEU A 77 2.407 4.016 -10.104 1.00 0.00 N ATOM 895 CA LEU A 77 3.279 4.926 -10.814 1.00 0.00 C ATOM 896 C LEU A 77 3.105 4.792 -12.320 1.00 0.00 C ATOM 897 O LEU A 77 3.097 5.784 -13.048 1.00 0.00 O ATOM 898 CB LEU A 77 4.726 4.645 -10.435 1.00 0.00 C ATOM 899 CG LEU A 77 5.286 5.474 -9.286 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.723 5.065 -9.006 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.201 6.960 -9.609 1.00 0.00 C ATOM 0 H LEU A 77 2.895 3.368 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 77 3.015 5.945 -10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.815 3.591 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.350 4.809 -11.314 1.00 0.00 H new ATOM 0 HG LEU A 77 4.690 5.288 -8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.117 5.662 -8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.755 4.009 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.329 5.230 -9.897 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.605 7.537 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.777 7.170 -10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.160 7.238 -9.771 1.00 0.00 H new ATOM 913 N ALA A 78 2.963 3.555 -12.777 1.00 0.00 N ATOM 914 CA ALA A 78 2.782 3.274 -14.193 1.00 0.00 C ATOM 915 C ALA A 78 1.626 4.089 -14.768 1.00 0.00 C ATOM 916 O ALA A 78 1.584 4.370 -15.965 1.00 0.00 O ATOM 917 CB ALA A 78 2.559 1.788 -14.393 1.00 0.00 C ATOM 0 H ALA A 78 2.970 2.726 -12.183 1.00 0.00 H new ATOM 0 HA ALA A 78 3.684 3.567 -14.730 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.424 1.580 -15.454 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.424 1.237 -14.023 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.669 1.477 -13.846 1.00 0.00 H new ATOM 923 N LEU A 79 0.708 4.497 -13.894 1.00 0.00 N ATOM 924 CA LEU A 79 -0.425 5.314 -14.294 1.00 0.00 C ATOM 925 C LEU A 79 -0.031 6.781 -14.190 1.00 0.00 C ATOM 926 O LEU A 79 -0.558 7.641 -14.896 1.00 0.00 O ATOM 927 CB LEU A 79 -1.638 5.069 -13.383 1.00 0.00 C ATOM 928 CG LEU A 79 -1.664 3.752 -12.602 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.264 3.984 -11.224 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.459 2.699 -13.361 1.00 0.00 C ATOM 0 H LEU A 79 0.731 4.271 -12.900 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.697 5.050 -15.316 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.696 5.889 -12.667 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.538 5.117 -13.996 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.643 3.388 -12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.281 3.045 -10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.661 4.713 -10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.281 4.361 -11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.467 1.769 -12.792 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.482 3.047 -13.502 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.997 2.525 -14.333 1.00 0.00 H new ATOM 942 N GLY A 80 0.894 7.043 -13.276 1.00 0.00 N ATOM 943 CA GLY A 80 1.365 8.384 -13.032 1.00 0.00 C ATOM 944 C GLY A 80 0.883 8.898 -11.693 1.00 0.00 C ATOM 945 O GLY A 80 0.928 10.099 -11.423 1.00 0.00 O ATOM 0 H GLY A 80 1.331 6.331 -12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.455 8.400 -13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.016 9.045 -13.825 1.00 0.00 H new ATOM 949 N ILE A 81 0.417 7.977 -10.850 1.00 0.00 N ATOM 950 CA ILE A 81 -0.077 8.329 -9.532 1.00 0.00 C ATOM 951 C ILE A 81 1.069 8.780 -8.648 1.00 0.00 C ATOM 952 O ILE A 81 1.878 7.978 -8.182 1.00 0.00 O ATOM 953 CB ILE A 81 -0.855 7.152 -8.889 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.249 7.009 -9.530 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.991 7.336 -7.381 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.403 7.705 -10.870 1.00 0.00 C ATOM 0 H ILE A 81 0.374 6.980 -11.063 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.777 9.158 -9.637 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.285 6.241 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.468 5.949 -9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.994 7.407 -8.841 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.541 6.494 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.000 7.384 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.529 8.261 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.415 7.551 -11.246 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.219 8.773 -10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.686 7.292 -11.579 1.00 0.00 H new ATOM 968 N LYS A 82 1.134 10.087 -8.453 1.00 0.00 N ATOM 969 CA LYS A 82 2.167 10.698 -7.667 1.00 0.00 C ATOM 970 C LYS A 82 1.740 10.857 -6.219 1.00 0.00 C ATOM 971 O LYS A 82 2.407 10.381 -5.307 1.00 0.00 O ATOM 972 CB LYS A 82 2.483 12.057 -8.260 1.00 0.00 C ATOM 973 CG LYS A 82 3.776 12.603 -7.750 1.00 0.00 C ATOM 974 CD LYS A 82 4.441 13.532 -8.753 1.00 0.00 C ATOM 975 CE LYS A 82 4.971 14.790 -8.083 1.00 0.00 C ATOM 976 NZ LYS A 82 5.399 15.812 -9.078 1.00 0.00 N ATOM 0 H LYS A 82 0.462 10.749 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 82 3.049 10.058 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.526 11.977 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.677 12.752 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.599 13.142 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.450 11.779 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.260 13.009 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.724 13.806 -9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.199 15.211 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.814 14.532 -7.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.754 16.654 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.154 15.419 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.589 16.078 -9.673 1.00 0.00 H new ATOM 990 N GLN A 83 0.624 11.539 -6.027 1.00 0.00 N ATOM 991 CA GLN A 83 0.087 11.781 -4.697 1.00 0.00 C ATOM 992 C GLN A 83 -1.189 10.980 -4.487 1.00 0.00 C ATOM 993 O GLN A 83 -1.968 10.787 -5.420 1.00 0.00 O ATOM 994 CB GLN A 83 -0.191 13.273 -4.505 1.00 0.00 C ATOM 995 CG GLN A 83 0.852 13.974 -3.654 1.00 0.00 C ATOM 996 CD GLN A 83 1.843 14.771 -4.479 1.00 0.00 C ATOM 997 OE1 GLN A 83 1.493 15.344 -5.510 1.00 0.00 O ATOM 998 NE2 GLN A 83 3.092 14.810 -4.025 1.00 0.00 N ATOM 0 H GLN A 83 0.067 11.939 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 83 0.824 11.461 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.237 13.755 -5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.170 13.396 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.353 14.640 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.391 13.233 -3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.338 14.320 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.805 15.330 -4.537 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.402 10.510 -3.264 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.593 9.727 -2.964 1.00 0.00 C ATOM 1009 C VAL A 84 -3.291 10.210 -1.701 1.00 0.00 C ATOM 1010 O VAL A 84 -2.718 10.935 -0.887 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.288 8.219 -2.799 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.348 7.386 -3.493 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.914 7.859 -3.332 1.00 0.00 C ATOM 0 H VAL A 84 -0.774 10.655 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.248 9.868 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.299 8.000 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.119 6.328 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.323 7.600 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.365 7.630 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.740 6.792 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.859 8.104 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.154 8.422 -2.790 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.532 9.772 -1.548 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.345 10.111 -0.393 1.00 0.00 C ATOM 1025 C ALA A 85 -5.457 8.906 0.528 1.00 0.00 C ATOM 1026 O ALA A 85 -6.181 7.958 0.234 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.729 10.564 -0.837 1.00 0.00 C ATOM 0 H ALA A 85 -5.003 9.170 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.870 10.929 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.328 10.815 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.637 11.441 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.215 9.760 -1.391 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.727 8.930 1.633 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.753 7.816 2.567 1.00 0.00 C ATOM 1035 C PHE A 86 -5.956 7.900 3.498 1.00 0.00 C ATOM 1036 O PHE A 86 -5.994 8.720 4.416 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.459 7.762 3.376 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.913 6.371 3.506 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.284 5.755 2.434 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.037 5.674 4.697 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.788 4.471 2.552 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.546 4.390 4.819 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.920 3.787 3.746 1.00 0.00 C ATOM 0 H PHE A 86 -4.115 9.700 1.903 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.841 6.899 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.712 8.398 2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.640 8.171 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.181 6.284 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.524 6.141 5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.297 4.002 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.651 3.857 5.753 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.534 2.783 3.839 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.934 7.035 3.253 1.00 0.00 N ATOM 1054 CA ASP A 87 -8.144 6.989 4.063 1.00 0.00 C ATOM 1055 C ASP A 87 -8.427 5.557 4.505 1.00 0.00 C ATOM 1056 O ASP A 87 -9.561 5.083 4.431 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.333 7.546 3.278 1.00 0.00 C ATOM 1058 CG ASP A 87 -10.163 8.514 4.098 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.582 9.226 4.944 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.395 8.562 3.893 1.00 0.00 O ATOM 0 H ASP A 87 -6.911 6.353 2.495 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.994 7.606 4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.970 8.051 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.964 6.722 2.945 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.378 4.874 4.960 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.484 3.488 5.416 1.00 0.00 C ATOM 1067 C ARG A 88 -8.748 3.264 6.244 1.00 0.00 C ATOM 1068 O ARG A 88 -9.332 2.181 6.223 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.253 3.116 6.243 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.897 4.154 7.296 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.481 3.964 7.812 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.347 4.376 9.208 1.00 0.00 N ATOM 1073 CZ ARG A 88 -3.203 4.777 9.759 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -2.087 4.815 9.041 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.174 5.141 11.034 1.00 0.00 N ATOM 0 H ARG A 88 -6.437 5.262 5.023 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.541 2.850 4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.429 2.158 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.403 2.981 5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.999 5.153 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.600 4.086 8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.197 2.916 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.790 4.540 7.196 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.180 4.355 9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.102 4.536 8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.215 5.123 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.028 5.114 11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.298 5.448 11.457 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.162 4.296 6.973 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.351 4.191 7.799 1.00 0.00 C ATOM 1091 C GLY A 89 -10.024 4.135 9.281 1.00 0.00 C ATOM 1092 O GLY A 89 -9.398 5.053 9.811 1.00 0.00 O ATOM 0 H GLY A 89 -8.696 5.202 7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.001 5.044 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.907 3.296 7.518 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.435 3.065 9.985 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.175 2.910 11.413 1.00 0.00 C ATOM 1098 C PRO A 90 -8.847 2.212 11.692 1.00 0.00 C ATOM 1099 O PRO A 90 -8.733 1.431 12.637 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.341 2.037 11.859 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.623 1.157 10.686 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.191 1.917 9.451 1.00 0.00 C ATOM 0 HA PRO A 90 -10.099 3.865 11.932 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.083 1.451 12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.211 2.640 12.120 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.079 0.216 10.770 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.683 0.909 10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.573 1.300 8.799 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.049 2.243 8.862 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.846 2.496 10.865 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.529 1.893 11.023 1.00 0.00 C ATOM 1112 C TYR A 91 -5.601 2.808 11.812 1.00 0.00 C ATOM 1113 O TYR A 91 -5.742 4.031 11.780 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.921 1.587 9.653 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.380 0.271 9.063 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.650 -0.232 9.322 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.538 -0.468 8.246 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -8.063 -1.435 8.782 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.942 -1.670 7.703 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.206 -2.151 7.974 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.612 -3.349 7.434 1.00 0.00 O ATOM 0 H TYR A 91 -7.923 3.141 10.078 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.646 0.962 11.578 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.176 2.392 8.964 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.835 1.576 9.742 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.324 0.326 9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.547 -0.096 8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.053 -1.813 8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.272 -2.232 7.069 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.833 -3.223 6.488 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.653 2.207 12.521 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.699 2.965 13.320 1.00 0.00 C ATOM 1133 C LYS A 92 -2.278 2.759 12.806 1.00 0.00 C ATOM 1134 O LYS A 92 -1.936 1.683 12.314 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.789 2.545 14.789 1.00 0.00 C ATOM 1136 CG LYS A 92 -2.981 3.428 15.725 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.651 4.776 15.934 1.00 0.00 C ATOM 1138 CE LYS A 92 -2.630 5.899 16.016 1.00 0.00 C ATOM 1139 NZ LYS A 92 -3.224 7.217 15.658 1.00 0.00 N ATOM 0 H LYS A 92 -4.525 1.196 12.559 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.947 4.023 13.235 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.834 2.561 15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.444 1.516 14.886 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.860 2.927 16.686 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.982 3.576 15.315 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.342 4.971 15.114 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.241 4.752 16.850 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.223 5.947 17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.797 5.682 15.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.496 7.956 15.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.590 7.180 14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.002 7.436 16.312 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.453 3.796 12.924 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.065 3.729 12.474 1.00 0.00 C ATOM 1155 C TYR A 93 0.603 2.468 13.021 1.00 0.00 C ATOM 1156 O TYR A 93 0.990 2.417 14.189 1.00 0.00 O ATOM 1157 CB TYR A 93 0.689 4.980 12.939 1.00 0.00 C ATOM 1158 CG TYR A 93 1.808 5.424 12.016 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.729 5.236 10.639 1.00 0.00 C ATOM 1160 CD2 TYR A 93 2.941 6.049 12.525 1.00 0.00 C ATOM 1161 CE1 TYR A 93 2.746 5.653 9.801 1.00 0.00 C ATOM 1162 CE2 TYR A 93 3.960 6.472 11.693 1.00 0.00 C ATOM 1163 CZ TYR A 93 3.859 6.271 10.333 1.00 0.00 C ATOM 1164 OH TYR A 93 4.872 6.691 9.501 1.00 0.00 O ATOM 0 H TYR A 93 -1.722 4.693 13.328 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.041 3.688 11.385 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.023 5.799 13.045 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.106 4.790 13.928 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.858 4.756 10.218 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.026 6.207 13.590 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.670 5.496 8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.832 6.958 12.106 1.00 0.00 H new ATOM 0 HH TYR A 93 5.581 7.107 10.034 1.00 0.00 H new ATOM 1174 N HIS A 94 0.714 1.445 12.177 1.00 0.00 N ATOM 1175 CA HIS A 94 1.312 0.177 12.586 1.00 0.00 C ATOM 1176 C HIS A 94 2.535 -0.161 11.741 1.00 0.00 C ATOM 1177 O HIS A 94 2.789 0.473 10.717 1.00 0.00 O ATOM 1178 CB HIS A 94 0.281 -0.948 12.482 1.00 0.00 C ATOM 1179 CG HIS A 94 0.504 -2.059 13.460 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -0.010 -3.327 13.288 1.00 0.00 N ATOM 1181 CD2 HIS A 94 1.191 -2.089 14.627 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.350 -4.088 14.306 1.00 0.00 C ATOM 1183 NE2 HIS A 94 1.079 -3.361 15.132 1.00 0.00 N ATOM 0 H HIS A 94 0.398 1.469 11.207 1.00 0.00 H new ATOM 0 HA HIS A 94 1.635 0.279 13.622 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.715 -0.532 12.638 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.301 -1.356 11.471 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.727 -1.266 15.076 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.092 -5.128 14.440 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.492 -3.691 16.004 1.00 0.00 H new ATOM 1192 N GLY A 95 3.289 -1.167 12.183 1.00 0.00 N ATOM 1193 CA GLY A 95 4.484 -1.583 11.466 1.00 0.00 C ATOM 1194 C GLY A 95 4.278 -1.652 9.965 1.00 0.00 C ATOM 1195 O GLY A 95 5.167 -1.292 9.194 1.00 0.00 O ATOM 0 H GLY A 95 3.092 -1.703 13.028 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.294 -0.887 11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.798 -2.561 11.830 1.00 0.00 H new ATOM 1199 N ARG A 96 3.101 -2.109 9.550 1.00 0.00 N ATOM 1200 CA ARG A 96 2.787 -2.214 8.132 1.00 0.00 C ATOM 1201 C ARG A 96 2.825 -0.839 7.475 1.00 0.00 C ATOM 1202 O ARG A 96 3.736 -0.540 6.705 1.00 0.00 O ATOM 1203 CB ARG A 96 1.413 -2.858 7.937 1.00 0.00 C ATOM 1204 CG ARG A 96 1.221 -4.137 8.738 1.00 0.00 C ATOM 1205 CD ARG A 96 2.348 -5.128 8.492 1.00 0.00 C ATOM 1206 NE ARG A 96 2.206 -6.332 9.306 1.00 0.00 N ATOM 1207 CZ ARG A 96 2.465 -6.379 10.611 1.00 0.00 C ATOM 1208 NH1 ARG A 96 2.877 -5.293 11.253 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.311 -7.516 11.277 1.00 0.00 N ATOM 0 H ARG A 96 2.352 -2.411 10.174 1.00 0.00 H new ATOM 0 HA ARG A 96 3.538 -2.846 7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.642 -2.142 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.270 -3.077 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.172 -3.897 9.800 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.269 -4.595 8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.365 -5.403 7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.304 -4.652 8.712 1.00 0.00 H new ATOM 0 HE ARG A 96 1.890 -7.187 8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.997 -4.416 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.074 -5.336 12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.994 -8.354 10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.509 -7.552 12.277 1.00 0.00 H new ATOM 1223 N VAL A 97 1.837 -0.003 7.795 1.00 0.00 N ATOM 1224 CA VAL A 97 1.754 1.351 7.249 1.00 0.00 C ATOM 1225 C VAL A 97 3.123 1.996 7.147 1.00 0.00 C ATOM 1226 O VAL A 97 3.426 2.672 6.178 1.00 0.00 O ATOM 1227 CB VAL A 97 0.868 2.255 8.121 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.673 3.614 7.466 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.460 1.583 8.385 1.00 0.00 C ATOM 0 H VAL A 97 1.079 -0.242 8.434 1.00 0.00 H new ATOM 0 HA VAL A 97 1.318 1.251 6.255 1.00 0.00 H new ATOM 0 HB VAL A 97 1.367 2.417 9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.043 4.237 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.642 4.096 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.195 3.485 6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.080 2.232 9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.966 1.393 7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.293 0.639 8.904 1.00 0.00 H new ATOM 1239 N LYS A 98 3.943 1.790 8.159 1.00 0.00 N ATOM 1240 CA LYS A 98 5.273 2.367 8.170 1.00 0.00 C ATOM 1241 C LYS A 98 6.086 1.890 6.970 1.00 0.00 C ATOM 1242 O LYS A 98 6.263 2.620 5.993 1.00 0.00 O ATOM 1243 CB LYS A 98 5.987 2.015 9.472 1.00 0.00 C ATOM 1244 CG LYS A 98 6.316 3.232 10.313 1.00 0.00 C ATOM 1245 CD LYS A 98 5.720 3.138 11.704 1.00 0.00 C ATOM 1246 CE LYS A 98 4.206 3.091 11.649 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.611 2.758 12.973 1.00 0.00 N ATOM 0 H LYS A 98 3.714 1.230 8.980 1.00 0.00 H new ATOM 0 HA LYS A 98 5.177 3.451 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.360 1.338 10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.908 1.479 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.398 3.339 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.941 4.127 9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.096 2.246 12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.039 3.995 12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.825 4.055 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.893 2.350 10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.127 1.839 12.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.363 2.708 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.926 3.494 13.241 1.00 0.00 H new ATOM 1261 N ALA A 99 6.579 0.661 7.054 1.00 0.00 N ATOM 1262 CA ALA A 99 7.378 0.080 5.985 1.00 0.00 C ATOM 1263 C ALA A 99 6.619 0.044 4.663 1.00 0.00 C ATOM 1264 O ALA A 99 7.201 0.253 3.603 1.00 0.00 O ATOM 1265 CB ALA A 99 7.824 -1.324 6.369 1.00 0.00 C ATOM 0 H ALA A 99 6.438 0.046 7.855 1.00 0.00 H new ATOM 0 HA ALA A 99 8.253 0.715 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.421 -1.749 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.423 -1.280 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.948 -1.950 6.541 1.00 0.00 H new ATOM 1271 N LEU A 100 5.321 -0.224 4.725 1.00 0.00 N ATOM 1272 CA LEU A 100 4.505 -0.298 3.532 1.00 0.00 C ATOM 1273 C LEU A 100 4.372 1.059 2.876 1.00 0.00 C ATOM 1274 O LEU A 100 4.534 1.200 1.664 1.00 0.00 O ATOM 1275 CB LEU A 100 3.117 -0.829 3.883 1.00 0.00 C ATOM 1276 CG LEU A 100 2.073 -0.625 2.793 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.138 -1.819 2.715 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.293 0.666 3.023 1.00 0.00 C ATOM 0 H LEU A 100 4.815 -0.393 5.594 1.00 0.00 H new ATOM 0 HA LEU A 100 4.994 -0.975 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.193 -1.894 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.774 -0.340 4.795 1.00 0.00 H new ATOM 0 HG LEU A 100 2.590 -0.538 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.400 -1.653 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.713 -2.717 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.629 -1.946 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.553 0.790 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.788 0.619 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.980 1.513 3.014 1.00 0.00 H new ATOM 1290 N ALA A 101 4.050 2.050 3.684 1.00 0.00 N ATOM 1291 CA ALA A 101 3.865 3.398 3.177 1.00 0.00 C ATOM 1292 C ALA A 101 5.127 3.902 2.503 1.00 0.00 C ATOM 1293 O ALA A 101 5.049 4.621 1.509 1.00 0.00 O ATOM 1294 CB ALA A 101 3.401 4.330 4.275 1.00 0.00 C ATOM 0 H ALA A 101 3.911 1.950 4.690 1.00 0.00 H new ATOM 0 HA ALA A 101 3.081 3.374 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.270 5.333 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.452 3.974 4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.146 4.355 5.070 1.00 0.00 H new ATOM 1300 N GLU A 102 6.294 3.490 3.002 1.00 0.00 N ATOM 1301 CA GLU A 102 7.532 3.897 2.355 1.00 0.00 C ATOM 1302 C GLU A 102 7.577 3.231 0.995 1.00 0.00 C ATOM 1303 O GLU A 102 7.868 3.866 -0.001 1.00 0.00 O ATOM 1304 CB GLU A 102 8.797 3.551 3.159 1.00 0.00 C ATOM 1305 CG GLU A 102 8.539 3.026 4.566 1.00 0.00 C ATOM 1306 CD GLU A 102 9.820 2.691 5.306 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.389 3.599 5.947 1.00 0.00 O ATOM 1308 OE2 GLU A 102 10.253 1.522 5.244 1.00 0.00 O ATOM 0 H GLU A 102 6.403 2.895 3.824 1.00 0.00 H new ATOM 0 HA GLU A 102 7.531 4.984 2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.368 2.804 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.421 4.442 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.981 3.772 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.913 2.136 4.509 1.00 0.00 H new ATOM 1315 N GLY A 103 7.222 1.951 0.949 1.00 0.00 N ATOM 1316 CA GLY A 103 7.180 1.251 -0.321 1.00 0.00 C ATOM 1317 C GLY A 103 6.396 2.045 -1.332 1.00 0.00 C ATOM 1318 O GLY A 103 6.911 2.473 -2.365 1.00 0.00 O ATOM 0 H GLY A 103 6.965 1.390 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.194 1.085 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.725 0.270 -0.188 1.00 0.00 H new ATOM 1322 N ALA A 104 5.123 2.233 -0.997 1.00 0.00 N ATOM 1323 CA ALA A 104 4.197 2.973 -1.828 1.00 0.00 C ATOM 1324 C ALA A 104 4.741 4.364 -2.128 1.00 0.00 C ATOM 1325 O ALA A 104 4.617 4.867 -3.242 1.00 0.00 O ATOM 1326 CB ALA A 104 2.845 3.060 -1.144 1.00 0.00 C ATOM 0 H ALA A 104 4.709 1.872 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 104 4.076 2.448 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.153 3.618 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.456 2.055 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.954 3.569 -0.186 1.00 0.00 H new ATOM 1332 N ARG A 105 5.370 4.976 -1.129 1.00 0.00 N ATOM 1333 CA ARG A 105 5.954 6.301 -1.301 1.00 0.00 C ATOM 1334 C ARG A 105 7.296 6.188 -2.007 1.00 0.00 C ATOM 1335 O ARG A 105 7.487 6.725 -3.098 1.00 0.00 O ATOM 1336 CB ARG A 105 6.125 6.999 0.049 1.00 0.00 C ATOM 1337 CG ARG A 105 4.893 7.771 0.494 1.00 0.00 C ATOM 1338 CD ARG A 105 5.158 9.267 0.545 1.00 0.00 C ATOM 1339 NE ARG A 105 6.012 9.634 1.672 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.624 9.580 2.944 1.00 0.00 C ATOM 1341 NH1 ARG A 105 4.399 9.175 3.255 1.00 0.00 N ATOM 1342 NH2 ARG A 105 6.463 9.931 3.909 1.00 0.00 N ATOM 0 H ARG A 105 5.488 4.578 -0.197 1.00 0.00 H new ATOM 0 HA ARG A 105 5.278 6.900 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.370 6.254 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.971 7.684 -0.010 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.070 7.570 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.580 7.423 1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.630 9.583 -0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.210 9.801 0.619 1.00 0.00 H new ATOM 0 HE ARG A 105 6.961 9.950 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 105 3.749 8.903 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.107 9.136 4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.406 10.243 3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.165 9.890 4.884 1.00 0.00 H new ATOM 1356 N GLU A 106 8.214 5.462 -1.377 1.00 0.00 N ATOM 1357 CA GLU A 106 9.543 5.229 -1.926 1.00 0.00 C ATOM 1358 C GLU A 106 9.421 4.902 -3.410 1.00 0.00 C ATOM 1359 O GLU A 106 10.178 5.405 -4.240 1.00 0.00 O ATOM 1360 CB GLU A 106 10.226 4.069 -1.173 1.00 0.00 C ATOM 1361 CG GLU A 106 10.001 2.697 -1.785 1.00 0.00 C ATOM 1362 CD GLU A 106 10.950 1.653 -1.231 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.820 2.015 -0.411 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.830 0.473 -1.622 1.00 0.00 O ATOM 0 H GLU A 106 8.057 5.019 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 106 10.153 6.124 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.298 4.262 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.864 4.057 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.973 2.384 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.126 2.760 -2.866 1.00 0.00 H new ATOM 1371 N GLY A 107 8.436 4.062 -3.727 1.00 0.00 N ATOM 1372 CA GLY A 107 8.199 3.686 -5.103 1.00 0.00 C ATOM 1373 C GLY A 107 7.833 4.899 -5.944 1.00 0.00 C ATOM 1374 O GLY A 107 8.442 5.132 -6.988 1.00 0.00 O ATOM 0 H GLY A 107 7.800 3.638 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.090 3.211 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.396 2.951 -5.150 1.00 0.00 H new ATOM 1378 N GLY A 108 6.859 5.695 -5.481 1.00 0.00 N ATOM 1379 CA GLY A 108 6.476 6.890 -6.223 1.00 0.00 C ATOM 1380 C GLY A 108 5.311 7.673 -5.620 1.00 0.00 C ATOM 1381 O GLY A 108 5.188 8.875 -5.856 1.00 0.00 O ATOM 0 H GLY A 108 6.338 5.535 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.341 7.550 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.213 6.600 -7.240 1.00 0.00 H new ATOM 1385 N LEU A 109 4.433 6.998 -4.883 1.00 0.00 N ATOM 1386 CA LEU A 109 3.259 7.646 -4.302 1.00 0.00 C ATOM 1387 C LEU A 109 3.582 8.588 -3.149 1.00 0.00 C ATOM 1388 O LEU A 109 4.515 8.378 -2.381 1.00 0.00 O ATOM 1389 CB LEU A 109 2.269 6.585 -3.838 1.00 0.00 C ATOM 1390 CG LEU A 109 1.548 5.887 -4.976 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.544 5.186 -5.875 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.508 4.914 -4.448 1.00 0.00 C ATOM 0 H LEU A 109 4.512 6.003 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 109 2.826 8.264 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.799 5.840 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.532 7.050 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 109 1.024 6.640 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.014 4.689 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.238 5.917 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.098 4.446 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.007 4.428 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.996 4.160 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.226 5.455 -3.850 1.00 0.00 H new ATOM 1404 N GLU A 110 2.771 9.632 -3.044 1.00 0.00 N ATOM 1405 CA GLU A 110 2.911 10.633 -1.994 1.00 0.00 C ATOM 1406 C GLU A 110 1.578 10.837 -1.277 1.00 0.00 C ATOM 1407 O GLU A 110 0.751 11.642 -1.705 1.00 0.00 O ATOM 1408 CB GLU A 110 3.400 11.956 -2.582 1.00 0.00 C ATOM 1409 CG GLU A 110 4.914 12.088 -2.610 1.00 0.00 C ATOM 1410 CD GLU A 110 5.484 11.965 -4.010 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.864 12.500 -4.952 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.551 11.334 -4.163 1.00 0.00 O ATOM 0 H GLU A 110 1.997 9.809 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 110 3.647 10.278 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.016 12.056 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.983 12.778 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.199 13.052 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.354 11.320 -1.974 1.00 0.00 H new ATOM 1419 N PHE A 111 1.366 10.096 -0.197 1.00 0.00 N ATOM 1420 CA PHE A 111 0.122 10.191 0.563 1.00 0.00 C ATOM 1421 C PHE A 111 0.400 10.481 2.034 1.00 0.00 C ATOM 1422 O PHE A 111 -0.426 11.172 2.667 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.666 8.886 0.425 1.00 0.00 C ATOM 1424 CG PHE A 111 0.208 7.674 0.507 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.971 7.288 -0.579 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.285 6.935 1.674 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.795 6.187 -0.504 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.105 5.829 1.755 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.862 5.455 0.665 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.442 10.014 2.542 1.00 0.00 O ATOM 0 H PHE A 111 2.037 9.423 0.174 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.467 11.016 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.422 8.838 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.195 8.884 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.920 7.856 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.304 7.227 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.388 5.896 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.154 5.257 2.670 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.507 4.591 0.725 1.00 0.00 H new TER 1440 PHE A 111