USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 22 CYS SG : rot 180:sc= 0.0457 USER MOD Set 1.2: A 71 TYR OH : rot -9:sc= 0.0361 USER MOD Set 2.1: A 10 GLN : amide:sc= 0.0988 X(o=0.2,f=0) USER MOD Set 2.2: A 52 TYR OH : rot -126:sc= 0.0996 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.7) USER MOD Single : A 12 MET CE :methyl 174:sc= -0.26 (180deg=-0.315) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -114:sc= -0.0339 (180deg=-0.477) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 58 SER OG : rot 180:sc= 0.211 USER MOD Single : A 61 THR OG1 : rot 98:sc= 1.2 USER MOD Single : A 63 GLN : amide:sc= -0.785 K(o=-0.78,f=-0.11) USER MOD Single : A 72 THR OG1 : rot 29:sc= 0.0246 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.263 -5.142 -14.086 1.00 0.00 N ATOM 14 CA LEU A 7 -5.224 -4.881 -13.083 1.00 0.00 C ATOM 15 C LEU A 7 -3.824 -4.506 -13.610 1.00 0.00 C ATOM 16 O LEU A 7 -3.440 -4.883 -14.717 1.00 0.00 O ATOM 17 CB LEU A 7 -5.192 -6.073 -12.099 1.00 0.00 C ATOM 18 CG LEU A 7 -4.522 -7.380 -12.598 1.00 0.00 C ATOM 19 CD1 LEU A 7 -4.664 -8.462 -11.516 1.00 0.00 C ATOM 20 CD2 LEU A 7 -5.102 -7.946 -13.903 1.00 0.00 C ATOM 0 HA LEU A 7 -5.512 -3.960 -12.576 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.676 -5.752 -11.194 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.218 -6.305 -11.815 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.484 -7.115 -12.801 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.195 -9.384 -11.860 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.177 -8.127 -10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.721 -8.644 -11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.570 -8.859 -14.172 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.160 -8.170 -13.764 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.988 -7.212 -14.700 1.00 0.00 H new ATOM 31 N LYS A 8 -3.047 -3.783 -12.789 1.00 0.00 N ATOM 32 CA LYS A 8 -1.650 -3.388 -13.061 1.00 0.00 C ATOM 33 C LYS A 8 -0.780 -3.407 -11.777 1.00 0.00 C ATOM 34 O LYS A 8 -1.157 -2.792 -10.773 1.00 0.00 O ATOM 35 CB LYS A 8 -1.612 -1.967 -13.667 1.00 0.00 C ATOM 36 CG LYS A 8 -2.379 -1.786 -14.988 1.00 0.00 C ATOM 37 CD LYS A 8 -2.145 -0.416 -15.650 1.00 0.00 C ATOM 38 CE LYS A 8 -2.404 0.771 -14.709 1.00 0.00 C ATOM 39 NZ LYS A 8 -2.486 2.055 -15.446 1.00 0.00 N ATOM 0 H LYS A 8 -3.382 -3.444 -11.887 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.241 -4.114 -13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.016 -1.268 -12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.571 -1.689 -13.831 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.082 -2.572 -15.682 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.445 -1.913 -14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.118 -0.366 -16.011 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.793 -0.327 -16.522 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.333 0.606 -14.164 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.606 0.828 -13.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.661 2.830 -14.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.590 2.226 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.264 2.011 -16.135 1.00 0.00 H new ATOM 49 N THR A 9 0.390 -4.070 -11.808 1.00 0.00 N ATOM 50 CA THR A 9 1.389 -4.123 -10.711 1.00 0.00 C ATOM 51 C THR A 9 2.165 -2.813 -10.550 1.00 0.00 C ATOM 52 O THR A 9 2.426 -2.113 -11.533 1.00 0.00 O ATOM 53 CB THR A 9 2.337 -5.326 -10.889 1.00 0.00 C ATOM 54 OG1 THR A 9 3.244 -5.374 -9.805 1.00 0.00 O ATOM 55 CG2 THR A 9 3.165 -5.272 -12.177 1.00 0.00 C ATOM 0 H THR A 9 0.682 -4.605 -12.626 1.00 0.00 H new ATOM 0 HA THR A 9 0.833 -4.261 -9.783 1.00 0.00 H new ATOM 0 HB THR A 9 1.698 -6.207 -10.936 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.846 -6.139 -9.916 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.808 -6.150 -12.233 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.497 -5.255 -13.038 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.780 -4.372 -12.177 1.00 0.00 H new ATOM 63 N GLN A 10 2.572 -2.492 -9.318 1.00 0.00 N ATOM 64 CA GLN A 10 3.349 -1.309 -8.973 1.00 0.00 C ATOM 65 C GLN A 10 3.984 -1.491 -7.591 1.00 0.00 C ATOM 66 O GLN A 10 3.516 -2.284 -6.768 1.00 0.00 O ATOM 67 CB GLN A 10 2.488 -0.031 -9.053 1.00 0.00 C ATOM 68 CG GLN A 10 1.234 -0.055 -8.164 1.00 0.00 C ATOM 69 CD GLN A 10 0.522 1.297 -8.135 1.00 0.00 C ATOM 70 OE1 GLN A 10 0.068 1.809 -9.152 1.00 0.00 O ATOM 71 NE2 GLN A 10 0.414 1.924 -6.983 1.00 0.00 N ATOM 0 H GLN A 10 2.359 -3.074 -8.508 1.00 0.00 H new ATOM 0 HA GLN A 10 4.151 -1.187 -9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.102 0.825 -8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.182 0.123 -10.088 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.547 -0.818 -8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.515 -0.338 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.791 1.501 -6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.046 2.833 -6.938 1.00 0.00 H new ATOM 78 N GLN A 11 5.044 -0.727 -7.333 1.00 0.00 N ATOM 79 CA GLN A 11 5.840 -0.787 -6.112 1.00 0.00 C ATOM 80 C GLN A 11 6.290 0.622 -5.713 1.00 0.00 C ATOM 81 O GLN A 11 6.340 1.526 -6.552 1.00 0.00 O ATOM 82 CB GLN A 11 7.015 -1.779 -6.252 1.00 0.00 C ATOM 83 CG GLN A 11 7.988 -1.517 -7.417 1.00 0.00 C ATOM 84 CD GLN A 11 7.392 -1.868 -8.784 1.00 0.00 C ATOM 85 OE1 GLN A 11 6.996 -3.000 -9.045 1.00 0.00 O ATOM 86 NE2 GLN A 11 7.250 -0.918 -9.684 1.00 0.00 N ATOM 0 H GLN A 11 5.382 -0.026 -7.992 1.00 0.00 H new ATOM 0 HA GLN A 11 5.222 -1.174 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.583 -1.771 -5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.605 -2.782 -6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.278 -0.466 -7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.897 -2.099 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.574 0.028 -9.482 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.816 -1.128 -10.583 1.00 0.00 H new ATOM 93 N MET A 12 6.557 0.831 -4.419 1.00 0.00 N ATOM 94 CA MET A 12 6.532 2.167 -3.816 1.00 0.00 C ATOM 95 C MET A 12 7.280 2.236 -2.485 1.00 0.00 C ATOM 96 O MET A 12 7.584 1.211 -1.868 1.00 0.00 O ATOM 97 CB MET A 12 5.067 2.614 -3.643 1.00 0.00 C ATOM 98 CG MET A 12 4.314 1.808 -2.580 1.00 0.00 C ATOM 99 SD MET A 12 2.528 2.081 -2.556 1.00 0.00 S ATOM 100 CE MET A 12 2.515 3.573 -1.537 1.00 0.00 C ATOM 0 H MET A 12 6.795 0.085 -3.765 1.00 0.00 H new ATOM 0 HA MET A 12 7.055 2.846 -4.490 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.045 3.670 -3.373 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.549 2.518 -4.597 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.504 0.747 -2.744 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.720 2.056 -1.599 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.501 3.971 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.859 3.330 -0.532 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.177 4.319 -1.976 1.00 0.00 H new ATOM 108 N GLN A 13 7.526 3.460 -2.032 1.00 0.00 N ATOM 109 CA GLN A 13 8.110 3.785 -0.740 1.00 0.00 C ATOM 110 C GLN A 13 7.026 4.381 0.186 1.00 0.00 C ATOM 111 O GLN A 13 5.943 4.772 -0.257 1.00 0.00 O ATOM 112 CB GLN A 13 9.294 4.750 -0.973 1.00 0.00 C ATOM 113 CG GLN A 13 10.479 4.070 -1.696 1.00 0.00 C ATOM 114 CD GLN A 13 11.489 5.063 -2.275 1.00 0.00 C ATOM 115 OE1 GLN A 13 12.629 5.162 -1.826 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.110 5.809 -3.289 1.00 0.00 N ATOM 0 H GLN A 13 7.313 4.291 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 13 8.491 2.894 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.954 5.602 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.634 5.141 -0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.991 3.409 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.093 3.445 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.163 5.724 -3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.763 6.473 -3.706 1.00 0.00 H new ATOM 123 N VAL A 14 7.312 4.444 1.486 1.00 0.00 N ATOM 124 CA VAL A 14 6.376 4.873 2.540 1.00 0.00 C ATOM 125 C VAL A 14 7.133 5.198 3.831 1.00 0.00 C ATOM 126 O VAL A 14 8.039 4.471 4.238 1.00 0.00 O ATOM 127 CB VAL A 14 5.237 3.838 2.781 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.737 2.397 2.944 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.343 4.183 3.984 1.00 0.00 C ATOM 0 H VAL A 14 8.230 4.191 1.853 1.00 0.00 H new ATOM 0 HA VAL A 14 5.888 5.784 2.194 1.00 0.00 H new ATOM 0 HB VAL A 14 4.645 3.901 1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.888 1.734 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.267 2.091 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.412 2.341 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.571 3.421 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.949 4.219 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.874 5.154 3.822 1.00 0.00 H new ATOM 139 N GLY A 15 6.737 6.298 4.477 1.00 0.00 N ATOM 140 CA GLY A 15 7.249 6.760 5.764 1.00 0.00 C ATOM 141 C GLY A 15 6.556 6.041 6.917 1.00 0.00 C ATOM 142 O GLY A 15 5.336 6.111 7.069 1.00 0.00 O ATOM 0 H GLY A 15 6.019 6.916 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.324 6.586 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.095 7.835 5.856 1.00 0.00 H new ATOM 146 N GLY A 16 7.360 5.353 7.726 1.00 0.00 N ATOM 147 CA GLY A 16 6.998 4.707 8.986 1.00 0.00 C ATOM 148 C GLY A 16 6.594 3.237 8.895 1.00 0.00 C ATOM 149 O GLY A 16 6.564 2.587 9.939 1.00 0.00 O ATOM 0 H GLY A 16 8.347 5.224 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.844 4.789 9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.173 5.263 9.432 1.00 0.00 H new ATOM 153 N MET A 17 6.287 2.692 7.709 1.00 0.00 N ATOM 154 CA MET A 17 5.805 1.304 7.581 1.00 0.00 C ATOM 155 C MET A 17 6.876 0.237 7.891 1.00 0.00 C ATOM 156 O MET A 17 6.520 -0.904 8.183 1.00 0.00 O ATOM 157 CB MET A 17 5.214 1.084 6.181 1.00 0.00 C ATOM 158 CG MET A 17 4.220 -0.085 6.167 1.00 0.00 C ATOM 159 SD MET A 17 3.873 -0.807 4.545 1.00 0.00 S ATOM 160 CE MET A 17 5.471 -1.611 4.240 1.00 0.00 C ATOM 0 H MET A 17 6.363 3.190 6.822 1.00 0.00 H new ATOM 0 HA MET A 17 5.033 1.175 8.339 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.712 1.993 5.850 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.018 0.887 5.472 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.603 -0.870 6.818 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.280 0.257 6.600 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.965 -1.130 3.396 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.099 -1.521 5.127 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.311 -2.665 4.014 1.00 0.00 H new ATOM 219 N CYS A 22 4.558 -2.574 12.051 1.00 0.00 N ATOM 220 CA CYS A 22 4.051 -1.446 11.266 1.00 0.00 C ATOM 221 C CYS A 22 3.508 -1.880 9.898 1.00 0.00 C ATOM 222 O CYS A 22 2.381 -1.528 9.540 1.00 0.00 O ATOM 223 CB CYS A 22 5.154 -0.380 11.157 1.00 0.00 C ATOM 224 SG CYS A 22 5.458 0.405 12.771 1.00 0.00 S ATOM 0 HA CYS A 22 3.194 -1.012 11.781 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.073 -0.838 10.792 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.863 0.377 10.429 1.00 0.00 H new ATOM 0 HG CYS A 22 6.394 1.298 12.649 1.00 0.00 H new ATOM 229 N ALA A 23 4.239 -2.736 9.179 1.00 0.00 N ATOM 230 CA ALA A 23 3.745 -3.413 7.982 1.00 0.00 C ATOM 231 C ALA A 23 2.444 -4.204 8.236 1.00 0.00 C ATOM 232 O ALA A 23 1.604 -4.320 7.343 1.00 0.00 O ATOM 233 CB ALA A 23 4.878 -4.309 7.475 1.00 0.00 C ATOM 0 H ALA A 23 5.201 -2.980 9.416 1.00 0.00 H new ATOM 0 HA ALA A 23 3.472 -2.677 7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.552 -4.836 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.748 -3.697 7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.142 -5.033 8.246 1.00 0.00 H new ATOM 239 N SER A 24 2.239 -4.699 9.461 1.00 0.00 N ATOM 240 CA SER A 24 1.075 -5.532 9.798 1.00 0.00 C ATOM 241 C SER A 24 -0.260 -4.790 9.673 1.00 0.00 C ATOM 242 O SER A 24 -1.236 -5.408 9.256 1.00 0.00 O ATOM 243 CB SER A 24 1.204 -6.138 11.203 1.00 0.00 C ATOM 244 OG SER A 24 2.210 -7.141 11.258 1.00 0.00 O ATOM 0 H SER A 24 2.871 -4.536 10.245 1.00 0.00 H new ATOM 0 HA SER A 24 1.070 -6.334 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.438 -5.350 11.918 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.248 -6.566 11.503 1.00 0.00 H new ATOM 0 HG SER A 24 2.263 -7.501 12.168 1.00 0.00 H new ATOM 249 N SER A 25 -0.323 -3.486 9.964 1.00 0.00 N ATOM 250 CA SER A 25 -1.566 -2.702 9.880 1.00 0.00 C ATOM 251 C SER A 25 -2.020 -2.496 8.427 1.00 0.00 C ATOM 252 O SER A 25 -3.180 -2.747 8.093 1.00 0.00 O ATOM 253 CB SER A 25 -1.370 -1.340 10.563 1.00 0.00 C ATOM 254 OG SER A 25 -0.828 -1.483 11.865 1.00 0.00 O ATOM 0 H SER A 25 0.485 -2.942 10.265 1.00 0.00 H new ATOM 0 HA SER A 25 -2.346 -3.265 10.392 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.707 -0.721 9.958 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.326 -0.820 10.621 1.00 0.00 H new ATOM 0 HG SER A 25 -0.714 -0.598 12.271 1.00 0.00 H new ATOM 259 N ILE A 26 -1.095 -2.108 7.533 1.00 0.00 N ATOM 260 CA ILE A 26 -1.362 -1.991 6.085 1.00 0.00 C ATOM 261 C ILE A 26 -1.854 -3.338 5.539 1.00 0.00 C ATOM 262 O ILE A 26 -2.839 -3.387 4.798 1.00 0.00 O ATOM 263 CB ILE A 26 -0.095 -1.476 5.339 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.031 0.066 5.353 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.056 -1.884 3.853 1.00 0.00 C ATOM 266 CD1 ILE A 26 0.185 0.711 6.730 1.00 0.00 C ATOM 0 H ILE A 26 -0.139 -1.866 7.792 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.150 -1.258 5.915 1.00 0.00 H new ATOM 0 HB ILE A 26 0.723 -1.941 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.890 0.346 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.852 0.488 4.872 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.851 -1.494 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.065 -2.971 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.927 -1.476 3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.264 1.792 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.684 0.472 7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.085 0.329 7.212 1.00 0.00 H new ATOM 277 N GLU A 27 -1.185 -4.422 5.927 1.00 0.00 N ATOM 278 CA GLU A 27 -1.478 -5.781 5.480 1.00 0.00 C ATOM 279 C GLU A 27 -2.840 -6.276 6.012 1.00 0.00 C ATOM 280 O GLU A 27 -3.615 -6.880 5.270 1.00 0.00 O ATOM 281 CB GLU A 27 -0.294 -6.658 5.925 1.00 0.00 C ATOM 282 CG GLU A 27 -0.137 -7.976 5.168 1.00 0.00 C ATOM 283 CD GLU A 27 -1.215 -9.007 5.469 1.00 0.00 C ATOM 284 OE1 GLU A 27 -1.499 -9.251 6.666 1.00 0.00 O ATOM 285 OE2 GLU A 27 -1.757 -9.615 4.514 1.00 0.00 O ATOM 0 H GLU A 27 -0.402 -4.377 6.579 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.579 -5.827 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.625 -6.083 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.405 -6.879 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.139 -7.769 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.836 -8.405 5.408 1.00 0.00 H new ATOM 290 N ARG A 28 -3.189 -5.977 7.269 1.00 0.00 N ATOM 291 CA ARG A 28 -4.424 -6.438 7.921 1.00 0.00 C ATOM 292 C ARG A 28 -5.698 -5.904 7.248 1.00 0.00 C ATOM 293 O ARG A 28 -6.701 -6.619 7.160 1.00 0.00 O ATOM 294 CB ARG A 28 -4.349 -6.056 9.408 1.00 0.00 C ATOM 295 CG ARG A 28 -5.568 -6.520 10.223 1.00 0.00 C ATOM 296 CD ARG A 28 -5.446 -6.177 11.713 1.00 0.00 C ATOM 297 NE ARG A 28 -4.233 -6.742 12.320 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.146 -6.082 12.698 1.00 0.00 C ATOM 299 NH1 ARG A 28 -3.024 -4.774 12.615 1.00 0.00 N ATOM 300 NH2 ARG A 28 -2.120 -6.738 13.179 1.00 0.00 N ATOM 0 H ARG A 28 -2.610 -5.396 7.875 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.495 -7.521 7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.447 -6.488 9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.256 -4.973 9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.468 -6.056 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.687 -7.598 10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.439 -5.094 11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.322 -6.551 12.242 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.226 -7.751 12.467 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.791 -4.213 12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.163 -4.322 12.922 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.158 -7.754 13.262 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.283 -6.233 13.470 1.00 0.00 H new ATOM 311 N ALA A 29 -5.669 -4.671 6.733 1.00 0.00 N ATOM 312 CA ALA A 29 -6.799 -4.091 6.000 1.00 0.00 C ATOM 313 C ALA A 29 -6.884 -4.523 4.522 1.00 0.00 C ATOM 314 O ALA A 29 -7.966 -4.425 3.944 1.00 0.00 O ATOM 315 CB ALA A 29 -6.743 -2.568 6.135 1.00 0.00 C ATOM 0 H ALA A 29 -4.865 -4.049 6.812 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.713 -4.480 6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.579 -2.124 5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.806 -2.294 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.805 -2.200 5.719 1.00 0.00 H new ATOM 321 N LEU A 30 -5.798 -5.021 3.909 1.00 0.00 N ATOM 322 CA LEU A 30 -5.757 -5.447 2.495 1.00 0.00 C ATOM 323 C LEU A 30 -6.927 -6.360 2.138 1.00 0.00 C ATOM 324 O LEU A 30 -7.619 -6.138 1.145 1.00 0.00 O ATOM 325 CB LEU A 30 -4.420 -6.190 2.253 1.00 0.00 C ATOM 326 CG LEU A 30 -4.113 -6.750 0.844 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.930 -7.976 0.405 1.00 0.00 C ATOM 328 CD2 LEU A 30 -4.165 -5.659 -0.226 1.00 0.00 C ATOM 0 H LEU A 30 -4.906 -5.142 4.389 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.834 -4.564 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.613 -5.507 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.376 -7.023 2.954 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.093 -7.121 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.626 -8.276 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.754 -8.798 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.991 -7.725 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.944 -6.094 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.160 -5.215 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.428 -4.889 0.003 1.00 0.00 H new ATOM 339 N GLU A 31 -7.150 -7.382 2.963 1.00 0.00 N ATOM 340 CA GLU A 31 -8.066 -8.474 2.665 1.00 0.00 C ATOM 341 C GLU A 31 -9.530 -8.009 2.641 1.00 0.00 C ATOM 342 O GLU A 31 -10.365 -8.662 2.007 1.00 0.00 O ATOM 343 CB GLU A 31 -7.896 -9.602 3.708 1.00 0.00 C ATOM 344 CG GLU A 31 -7.923 -9.111 5.170 1.00 0.00 C ATOM 345 CD GLU A 31 -8.241 -10.210 6.187 1.00 0.00 C ATOM 346 OE1 GLU A 31 -7.427 -11.148 6.357 1.00 0.00 O ATOM 347 OE2 GLU A 31 -9.287 -10.086 6.869 1.00 0.00 O ATOM 0 H GLU A 31 -6.691 -7.473 3.869 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.820 -8.846 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.689 -10.336 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.951 -10.114 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.955 -8.673 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.665 -8.318 5.263 1.00 0.00 H new ATOM 352 N ARG A 32 -9.835 -6.894 3.329 1.00 0.00 N ATOM 353 CA ARG A 32 -11.182 -6.340 3.449 1.00 0.00 C ATOM 354 C ARG A 32 -11.468 -5.160 2.503 1.00 0.00 C ATOM 355 O ARG A 32 -12.633 -4.800 2.330 1.00 0.00 O ATOM 356 CB ARG A 32 -11.546 -6.058 4.917 1.00 0.00 C ATOM 357 CG ARG A 32 -10.678 -5.019 5.639 1.00 0.00 C ATOM 358 CD ARG A 32 -11.228 -4.778 7.051 1.00 0.00 C ATOM 359 NE ARG A 32 -10.466 -3.742 7.772 1.00 0.00 N ATOM 360 CZ ARG A 32 -9.660 -3.892 8.816 1.00 0.00 C ATOM 361 NH1 ARG A 32 -9.299 -5.057 9.298 1.00 0.00 N ATOM 362 NH2 ARG A 32 -9.200 -2.816 9.405 1.00 0.00 N ATOM 0 H ARG A 32 -9.132 -6.346 3.825 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.862 -7.117 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.583 -5.725 4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.491 -6.995 5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.647 -5.368 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.669 -4.085 5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.274 -4.479 6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.197 -5.710 7.616 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.572 -2.789 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.641 -5.916 8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.676 -5.104 10.104 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.463 -1.893 9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.579 -2.901 10.210 1.00 0.00 H new ATOM 373 N LEU A 33 -10.455 -4.607 1.822 1.00 0.00 N ATOM 374 CA LEU A 33 -10.664 -3.809 0.601 1.00 0.00 C ATOM 375 C LEU A 33 -11.373 -4.604 -0.508 1.00 0.00 C ATOM 376 O LEU A 33 -11.407 -5.838 -0.489 1.00 0.00 O ATOM 377 CB LEU A 33 -9.321 -3.322 0.026 1.00 0.00 C ATOM 378 CG LEU A 33 -8.361 -2.554 0.945 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.201 -2.058 0.078 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.994 -1.361 1.669 1.00 0.00 C ATOM 0 H LEU A 33 -9.477 -4.697 2.096 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.290 -2.969 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.788 -4.194 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.540 -2.684 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.042 -3.238 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.494 -1.505 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.696 -2.910 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.586 -1.405 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.245 -0.877 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.369 -0.648 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.818 -1.709 2.291 1.00 0.00 H new ATOM 391 N LYS A 34 -11.827 -3.887 -1.537 1.00 0.00 N ATOM 392 CA LYS A 34 -12.153 -4.425 -2.867 1.00 0.00 C ATOM 393 C LYS A 34 -11.228 -3.817 -3.953 1.00 0.00 C ATOM 394 O LYS A 34 -10.555 -2.806 -3.724 1.00 0.00 O ATOM 395 CB LYS A 34 -13.650 -4.180 -3.141 1.00 0.00 C ATOM 396 CG LYS A 34 -14.533 -5.161 -2.340 1.00 0.00 C ATOM 397 CD LYS A 34 -16.040 -4.912 -2.516 1.00 0.00 C ATOM 398 CE LYS A 34 -16.592 -5.235 -3.914 1.00 0.00 C ATOM 399 NZ LYS A 34 -16.650 -6.691 -4.195 1.00 0.00 N ATOM 0 H LYS A 34 -11.985 -2.882 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.974 -5.500 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.908 -3.155 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.851 -4.293 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.303 -6.181 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.281 -5.084 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.580 -5.509 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.249 -3.866 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.592 -4.812 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.968 -4.751 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.030 -6.845 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.694 -7.095 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.267 -7.155 -3.498 1.00 0.00 H new ATOM 409 N GLY A 35 -11.170 -4.442 -5.136 1.00 0.00 N ATOM 410 CA GLY A 35 -10.445 -3.984 -6.336 1.00 0.00 C ATOM 411 C GLY A 35 -8.969 -4.390 -6.458 1.00 0.00 C ATOM 412 O GLY A 35 -8.387 -4.180 -7.523 1.00 0.00 O ATOM 0 H GLY A 35 -11.651 -5.327 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.973 -4.358 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.501 -2.896 -6.370 1.00 0.00 H new ATOM 416 N VAL A 36 -8.373 -4.974 -5.416 1.00 0.00 N ATOM 417 CA VAL A 36 -6.946 -5.352 -5.313 1.00 0.00 C ATOM 418 C VAL A 36 -6.771 -6.877 -5.396 1.00 0.00 C ATOM 419 O VAL A 36 -7.532 -7.634 -4.795 1.00 0.00 O ATOM 420 CB VAL A 36 -6.288 -4.737 -4.047 1.00 0.00 C ATOM 421 CG1 VAL A 36 -7.109 -4.875 -2.755 1.00 0.00 C ATOM 422 CG2 VAL A 36 -4.876 -5.273 -3.762 1.00 0.00 C ATOM 0 H VAL A 36 -8.894 -5.212 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.418 -4.930 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.239 -3.681 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.567 -4.416 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.070 -4.377 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.273 -5.931 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.481 -4.798 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.920 -6.352 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.225 -5.049 -4.607 1.00 0.00 H new ATOM 432 N ALA A 37 -5.769 -7.318 -6.168 1.00 0.00 N ATOM 433 CA ALA A 37 -5.628 -8.702 -6.638 1.00 0.00 C ATOM 434 C ALA A 37 -4.247 -9.350 -6.393 1.00 0.00 C ATOM 435 O ALA A 37 -4.098 -10.545 -6.662 1.00 0.00 O ATOM 436 CB ALA A 37 -5.978 -8.698 -8.130 1.00 0.00 C ATOM 0 H ALA A 37 -5.017 -6.709 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.303 -9.325 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.888 -9.709 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.001 -8.346 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.295 -8.036 -8.662 1.00 0.00 H new ATOM 442 N GLU A 38 -3.259 -8.612 -5.875 1.00 0.00 N ATOM 443 CA GLU A 38 -1.939 -9.120 -5.461 1.00 0.00 C ATOM 444 C GLU A 38 -1.186 -8.030 -4.681 1.00 0.00 C ATOM 445 O GLU A 38 -1.206 -6.869 -5.082 1.00 0.00 O ATOM 446 CB GLU A 38 -1.119 -9.622 -6.678 1.00 0.00 C ATOM 447 CG GLU A 38 -0.624 -11.071 -6.545 1.00 0.00 C ATOM 448 CD GLU A 38 0.621 -11.207 -5.669 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.615 -10.790 -4.491 1.00 0.00 O ATOM 450 OE2 GLU A 38 1.653 -11.745 -6.137 1.00 0.00 O ATOM 0 H GLU A 38 -3.357 -7.608 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.083 -9.978 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.733 -9.540 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.259 -8.967 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.423 -11.683 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.406 -11.466 -7.537 1.00 0.00 H new ATOM 455 N ALA A 39 -0.493 -8.369 -3.591 1.00 0.00 N ATOM 456 CA ALA A 39 0.182 -7.411 -2.704 1.00 0.00 C ATOM 457 C ALA A 39 1.200 -8.076 -1.760 1.00 0.00 C ATOM 458 O ALA A 39 0.991 -9.212 -1.326 1.00 0.00 O ATOM 459 CB ALA A 39 -0.872 -6.631 -1.903 1.00 0.00 C ATOM 0 H ALA A 39 -0.382 -9.338 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 39 0.755 -6.729 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.375 -5.919 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.527 -6.094 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.463 -7.326 -1.307 1.00 0.00 H new ATOM 465 N SER A 40 2.273 -7.353 -1.425 1.00 0.00 N ATOM 466 CA SER A 40 3.361 -7.788 -0.529 1.00 0.00 C ATOM 467 C SER A 40 4.060 -6.591 0.152 1.00 0.00 C ATOM 468 O SER A 40 4.140 -5.512 -0.438 1.00 0.00 O ATOM 469 CB SER A 40 4.420 -8.589 -1.300 1.00 0.00 C ATOM 470 OG SER A 40 3.922 -9.830 -1.783 1.00 0.00 O ATOM 0 H SER A 40 2.418 -6.409 -1.783 1.00 0.00 H new ATOM 0 HA SER A 40 2.899 -8.414 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.780 -7.994 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.275 -8.773 -0.650 1.00 0.00 H new ATOM 0 HG SER A 40 4.632 -10.301 -2.267 1.00 0.00 H new ATOM 475 N VAL A 41 4.605 -6.787 1.361 1.00 0.00 N ATOM 476 CA VAL A 41 5.334 -5.771 2.157 1.00 0.00 C ATOM 477 C VAL A 41 6.808 -6.172 2.328 1.00 0.00 C ATOM 478 O VAL A 41 7.108 -7.310 2.696 1.00 0.00 O ATOM 479 CB VAL A 41 4.677 -5.516 3.543 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.370 -4.721 3.378 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.379 -6.795 4.350 1.00 0.00 C ATOM 0 H VAL A 41 4.552 -7.689 1.835 1.00 0.00 H new ATOM 0 HA VAL A 41 5.281 -4.835 1.600 1.00 0.00 H new ATOM 0 HB VAL A 41 5.416 -4.948 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.922 -4.550 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.584 -3.763 2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.677 -5.286 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.922 -6.526 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.696 -7.430 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.308 -7.335 4.533 1.00 0.00 H new ATOM 491 N THR A 42 7.730 -5.231 2.072 1.00 0.00 N ATOM 492 CA THR A 42 9.190 -5.426 2.152 1.00 0.00 C ATOM 493 C THR A 42 9.721 -4.686 3.379 1.00 0.00 C ATOM 494 O THR A 42 10.037 -3.499 3.325 1.00 0.00 O ATOM 495 CB THR A 42 9.864 -4.972 0.851 1.00 0.00 C ATOM 496 OG1 THR A 42 9.296 -5.684 -0.228 1.00 0.00 O ATOM 497 CG2 THR A 42 11.367 -5.261 0.855 1.00 0.00 C ATOM 0 H THR A 42 7.474 -4.283 1.795 1.00 0.00 H new ATOM 0 HA THR A 42 9.425 -6.484 2.267 1.00 0.00 H new ATOM 0 HB THR A 42 9.711 -3.897 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.718 -5.400 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.805 -4.924 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.837 -4.733 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.531 -6.333 0.968 1.00 0.00 H new ATOM 505 N VAL A 43 9.785 -5.395 4.503 1.00 0.00 N ATOM 506 CA VAL A 43 10.005 -4.847 5.857 1.00 0.00 C ATOM 507 C VAL A 43 11.421 -4.268 6.054 1.00 0.00 C ATOM 508 O VAL A 43 11.571 -3.310 6.811 1.00 0.00 O ATOM 509 CB VAL A 43 9.695 -5.933 6.922 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.067 -5.529 8.358 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.192 -6.271 6.910 1.00 0.00 C ATOM 0 H VAL A 43 9.682 -6.410 4.505 1.00 0.00 H new ATOM 0 HA VAL A 43 9.319 -4.009 5.981 1.00 0.00 H new ATOM 0 HB VAL A 43 10.310 -6.789 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.819 -6.342 9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.136 -5.323 8.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.510 -4.635 8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.985 -7.034 7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.616 -5.374 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.911 -6.645 5.925 1.00 0.00 H new ATOM 521 N ALA A 44 12.439 -4.803 5.360 1.00 0.00 N ATOM 522 CA ALA A 44 13.860 -4.438 5.498 1.00 0.00 C ATOM 523 C ALA A 44 14.154 -2.926 5.436 1.00 0.00 C ATOM 524 O ALA A 44 15.003 -2.429 6.186 1.00 0.00 O ATOM 525 CB ALA A 44 14.637 -5.187 4.406 1.00 0.00 C ATOM 0 H ALA A 44 12.290 -5.530 4.660 1.00 0.00 H new ATOM 0 HA ALA A 44 14.177 -4.729 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.696 -4.940 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.505 -6.261 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.262 -4.893 3.426 1.00 0.00 H new ATOM 531 N THR A 45 13.434 -2.209 4.565 1.00 0.00 N ATOM 532 CA THR A 45 13.440 -0.740 4.418 1.00 0.00 C ATOM 533 C THR A 45 12.043 -0.131 4.503 1.00 0.00 C ATOM 534 O THR A 45 11.926 1.092 4.561 1.00 0.00 O ATOM 535 CB THR A 45 14.083 -0.345 3.082 1.00 0.00 C ATOM 536 OG1 THR A 45 13.493 -1.088 2.042 1.00 0.00 O ATOM 537 CG2 THR A 45 15.585 -0.622 3.085 1.00 0.00 C ATOM 0 H THR A 45 12.796 -2.657 3.907 1.00 0.00 H new ATOM 0 HA THR A 45 14.022 -0.346 5.251 1.00 0.00 H new ATOM 0 HB THR A 45 13.923 0.723 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.901 -0.836 1.187 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.011 -0.331 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.059 -0.048 3.881 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.759 -1.685 3.252 1.00 0.00 H new ATOM 545 N GLY A 46 10.985 -0.951 4.526 1.00 0.00 N ATOM 546 CA GLY A 46 9.591 -0.507 4.573 1.00 0.00 C ATOM 547 C GLY A 46 9.088 -0.057 3.208 1.00 0.00 C ATOM 548 O GLY A 46 8.503 1.017 3.119 1.00 0.00 O ATOM 0 H GLY A 46 11.080 -1.967 4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.964 -1.320 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.496 0.315 5.283 1.00 0.00 H new ATOM 552 N ARG A 47 9.333 -0.835 2.149 1.00 0.00 N ATOM 553 CA ARG A 47 8.749 -0.614 0.814 1.00 0.00 C ATOM 554 C ARG A 47 7.539 -1.539 0.581 1.00 0.00 C ATOM 555 O ARG A 47 7.266 -2.443 1.374 1.00 0.00 O ATOM 556 CB ARG A 47 9.816 -0.792 -0.280 1.00 0.00 C ATOM 557 CG ARG A 47 10.898 0.302 -0.271 1.00 0.00 C ATOM 558 CD ARG A 47 11.751 0.179 -1.540 1.00 0.00 C ATOM 559 NE ARG A 47 12.839 1.172 -1.615 1.00 0.00 N ATOM 560 CZ ARG A 47 13.549 1.448 -2.705 1.00 0.00 C ATOM 561 NH1 ARG A 47 13.335 0.833 -3.850 1.00 0.00 N ATOM 562 NH2 ARG A 47 14.499 2.354 -2.656 1.00 0.00 N ATOM 0 H ARG A 47 9.949 -1.647 2.191 1.00 0.00 H new ATOM 0 HA ARG A 47 8.388 0.413 0.762 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.293 -1.764 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.327 -0.800 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.435 1.288 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.526 0.202 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.180 -0.822 -1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.108 0.290 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 47 13.064 1.687 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.607 0.122 -3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.897 1.068 -4.668 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.691 2.845 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.044 2.567 -3.491 1.00 0.00 H new ATOM 573 N LEU A 48 6.800 -1.308 -0.507 1.00 0.00 N ATOM 574 CA LEU A 48 5.512 -1.951 -0.812 1.00 0.00 C ATOM 575 C LEU A 48 5.413 -2.382 -2.280 1.00 0.00 C ATOM 576 O LEU A 48 6.007 -1.743 -3.149 1.00 0.00 O ATOM 577 CB LEU A 48 4.392 -0.935 -0.501 1.00 0.00 C ATOM 578 CG LEU A 48 3.548 -1.258 0.739 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.716 -0.015 1.054 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.614 -2.452 0.493 1.00 0.00 C ATOM 0 H LEU A 48 7.089 -0.646 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 48 5.418 -2.851 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.842 0.049 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.731 -0.870 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 48 4.203 -1.526 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.099 -0.203 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.380 0.827 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.075 0.219 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.033 -2.651 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.939 -2.222 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.207 -3.332 0.242 1.00 0.00 H new ATOM 591 N THR A 49 4.572 -3.392 -2.536 1.00 0.00 N ATOM 592 CA THR A 49 4.210 -3.946 -3.857 1.00 0.00 C ATOM 593 C THR A 49 2.705 -4.192 -3.843 1.00 0.00 C ATOM 594 O THR A 49 2.193 -4.768 -2.884 1.00 0.00 O ATOM 595 CB THR A 49 4.948 -5.275 -4.101 1.00 0.00 C ATOM 596 OG1 THR A 49 6.314 -5.190 -3.751 1.00 0.00 O ATOM 597 CG2 THR A 49 4.888 -5.664 -5.575 1.00 0.00 C ATOM 0 H THR A 49 4.092 -3.879 -1.779 1.00 0.00 H new ATOM 0 HA THR A 49 4.490 -3.254 -4.651 1.00 0.00 H new ATOM 0 HB THR A 49 4.450 -6.018 -3.479 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.749 -6.052 -3.918 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.416 -6.606 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.848 -5.779 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.358 -4.886 -6.176 1.00 0.00 H new ATOM 605 N VAL A 50 1.992 -3.753 -4.880 1.00 0.00 N ATOM 606 CA VAL A 50 0.517 -3.781 -4.932 1.00 0.00 C ATOM 607 C VAL A 50 0.007 -3.811 -6.382 1.00 0.00 C ATOM 608 O VAL A 50 0.579 -3.155 -7.253 1.00 0.00 O ATOM 609 CB VAL A 50 -0.085 -2.611 -4.104 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.182 -1.224 -4.715 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.596 -2.780 -3.867 1.00 0.00 C ATOM 0 H VAL A 50 2.420 -3.363 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 50 0.172 -4.706 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 50 0.435 -2.659 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.267 -0.456 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.257 -1.056 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.255 -1.176 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.969 -1.938 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.113 -2.815 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.777 -3.707 -3.323 1.00 0.00 H new ATOM 621 N THR A 51 -1.057 -4.585 -6.636 1.00 0.00 N ATOM 622 CA THR A 51 -1.656 -4.837 -7.956 1.00 0.00 C ATOM 623 C THR A 51 -3.173 -4.706 -7.845 1.00 0.00 C ATOM 624 O THR A 51 -3.807 -5.493 -7.146 1.00 0.00 O ATOM 625 CB THR A 51 -1.282 -6.247 -8.443 1.00 0.00 C ATOM 626 OG1 THR A 51 0.123 -6.374 -8.483 1.00 0.00 O ATOM 627 CG2 THR A 51 -1.806 -6.537 -9.849 1.00 0.00 C ATOM 0 H THR A 51 -1.548 -5.077 -5.890 1.00 0.00 H new ATOM 0 HA THR A 51 -1.278 -4.111 -8.675 1.00 0.00 H new ATOM 0 HB THR A 51 -1.735 -6.951 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.362 -7.273 -8.792 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.515 -7.545 -10.145 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.893 -6.457 -9.856 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.384 -5.817 -10.550 1.00 0.00 H new ATOM 635 N TYR A 52 -3.757 -3.739 -8.554 1.00 0.00 N ATOM 636 CA TYR A 52 -5.194 -3.408 -8.514 1.00 0.00 C ATOM 637 C TYR A 52 -5.735 -2.959 -9.882 1.00 0.00 C ATOM 638 O TYR A 52 -4.953 -2.591 -10.760 1.00 0.00 O ATOM 639 CB TYR A 52 -5.441 -2.320 -7.453 1.00 0.00 C ATOM 640 CG TYR A 52 -4.761 -0.982 -7.710 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.328 -0.039 -8.594 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.552 -0.677 -7.055 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.692 1.197 -8.824 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.920 0.561 -7.268 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.491 1.509 -8.148 1.00 0.00 C ATOM 646 OH TYR A 52 -2.884 2.715 -8.334 1.00 0.00 O ATOM 0 H TYR A 52 -3.232 -3.142 -9.194 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.736 -4.316 -8.247 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.515 -2.152 -7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.106 -2.698 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.256 -0.266 -9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.108 -1.398 -6.385 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.122 1.905 -9.516 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.996 0.788 -6.758 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.950 2.574 -8.594 1.00 0.00 H new ATOM 655 N ASP A 53 -7.061 -2.972 -10.067 1.00 0.00 N ATOM 656 CA ASP A 53 -7.746 -2.543 -11.290 1.00 0.00 C ATOM 657 C ASP A 53 -8.139 -1.046 -11.241 1.00 0.00 C ATOM 658 O ASP A 53 -8.955 -0.668 -10.385 1.00 0.00 O ATOM 659 CB ASP A 53 -8.976 -3.430 -11.520 1.00 0.00 C ATOM 660 CG ASP A 53 -9.787 -2.936 -12.718 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.319 -3.062 -13.873 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.875 -2.369 -12.487 1.00 0.00 O ATOM 0 H ASP A 53 -7.707 -3.292 -9.345 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.058 -2.655 -12.128 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.661 -4.460 -11.689 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.601 -3.430 -10.627 1.00 0.00 H new ATOM 666 N PRO A 54 -7.625 -0.212 -12.175 1.00 0.00 N ATOM 667 CA PRO A 54 -7.938 1.216 -12.307 1.00 0.00 C ATOM 668 C PRO A 54 -9.414 1.599 -12.520 1.00 0.00 C ATOM 669 O PRO A 54 -9.691 2.787 -12.684 1.00 0.00 O ATOM 670 CB PRO A 54 -7.102 1.713 -13.494 1.00 0.00 C ATOM 671 CG PRO A 54 -5.904 0.778 -13.504 1.00 0.00 C ATOM 672 CD PRO A 54 -6.529 -0.544 -13.082 1.00 0.00 C ATOM 0 HA PRO A 54 -7.704 1.682 -11.350 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.661 1.659 -14.428 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -6.799 2.752 -13.364 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.444 0.715 -14.490 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.128 1.102 -12.810 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.895 -1.094 -13.949 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.795 -1.180 -12.587 1.00 0.00 H new ATOM 677 N LYS A 55 -10.356 0.647 -12.549 1.00 0.00 N ATOM 678 CA LYS A 55 -11.796 0.912 -12.746 1.00 0.00 C ATOM 679 C LYS A 55 -12.664 0.407 -11.587 1.00 0.00 C ATOM 680 O LYS A 55 -13.716 0.985 -11.318 1.00 0.00 O ATOM 681 CB LYS A 55 -12.276 0.325 -14.086 1.00 0.00 C ATOM 682 CG LYS A 55 -12.041 1.308 -15.240 1.00 0.00 C ATOM 683 CD LYS A 55 -12.694 0.798 -16.529 1.00 0.00 C ATOM 684 CE LYS A 55 -12.600 1.871 -17.616 1.00 0.00 C ATOM 685 NZ LYS A 55 -13.136 1.385 -18.903 1.00 0.00 N ATOM 0 H LYS A 55 -10.141 -0.344 -12.435 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.914 1.995 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.749 -0.608 -14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.337 0.084 -14.021 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.450 2.285 -14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.971 1.442 -15.397 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.199 -0.115 -16.862 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.738 0.545 -16.344 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.151 2.757 -17.302 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.560 2.171 -17.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.057 2.136 -19.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.593 0.554 -19.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.135 1.122 -18.786 1.00 0.00 H new ATOM 695 N GLN A 56 -12.215 -0.596 -10.830 1.00 0.00 N ATOM 696 CA GLN A 56 -12.700 -0.803 -9.468 1.00 0.00 C ATOM 697 C GLN A 56 -12.239 0.355 -8.575 1.00 0.00 C ATOM 698 O GLN A 56 -13.048 0.883 -7.810 1.00 0.00 O ATOM 699 CB GLN A 56 -12.191 -2.138 -8.889 1.00 0.00 C ATOM 700 CG GLN A 56 -12.731 -3.396 -9.584 1.00 0.00 C ATOM 701 CD GLN A 56 -14.258 -3.469 -9.613 1.00 0.00 C ATOM 702 OE1 GLN A 56 -14.947 -3.202 -8.635 1.00 0.00 O ATOM 703 NE2 GLN A 56 -14.844 -3.800 -10.736 1.00 0.00 N ATOM 0 H GLN A 56 -11.518 -1.275 -11.138 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.789 -0.838 -9.497 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.103 -2.149 -8.945 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.456 -2.183 -7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.354 -3.427 -10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.343 -4.278 -9.075 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.282 -4.025 -11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.862 -3.833 -10.790 1.00 0.00 H new ATOM 710 N VAL A 57 -10.963 0.752 -8.659 1.00 0.00 N ATOM 711 CA VAL A 57 -10.281 1.549 -7.617 1.00 0.00 C ATOM 712 C VAL A 57 -9.084 2.340 -8.190 1.00 0.00 C ATOM 713 O VAL A 57 -8.915 2.399 -9.404 1.00 0.00 O ATOM 714 CB VAL A 57 -9.848 0.649 -6.428 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.033 0.049 -5.654 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.908 -0.489 -6.871 1.00 0.00 C ATOM 0 H VAL A 57 -10.366 0.530 -9.456 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.996 2.281 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.311 1.319 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.659 -0.568 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.648 0.853 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.634 -0.564 -6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.632 -1.091 -6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.416 -1.117 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.009 -0.065 -7.319 1.00 0.00 H new ATOM 726 N SER A 58 -8.245 2.953 -7.343 1.00 0.00 N ATOM 727 CA SER A 58 -7.110 3.800 -7.748 1.00 0.00 C ATOM 728 C SER A 58 -6.118 3.899 -6.568 1.00 0.00 C ATOM 729 O SER A 58 -6.136 3.021 -5.701 1.00 0.00 O ATOM 730 CB SER A 58 -7.632 5.171 -8.223 1.00 0.00 C ATOM 731 OG SER A 58 -6.603 5.955 -8.811 1.00 0.00 O ATOM 0 H SER A 58 -8.338 2.872 -6.330 1.00 0.00 H new ATOM 0 HA SER A 58 -6.572 3.364 -8.590 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.434 5.023 -8.946 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.060 5.709 -7.377 1.00 0.00 H new ATOM 0 HG SER A 58 -6.972 6.815 -9.101 1.00 0.00 H new ATOM 736 N GLU A 59 -5.312 4.962 -6.470 1.00 0.00 N ATOM 737 CA GLU A 59 -4.411 5.263 -5.341 1.00 0.00 C ATOM 738 C GLU A 59 -5.088 5.134 -3.963 1.00 0.00 C ATOM 739 O GLU A 59 -4.452 4.687 -3.008 1.00 0.00 O ATOM 740 CB GLU A 59 -3.741 6.649 -5.494 1.00 0.00 C ATOM 741 CG GLU A 59 -4.445 7.735 -6.328 1.00 0.00 C ATOM 742 CD GLU A 59 -5.773 8.245 -5.769 1.00 0.00 C ATOM 743 OE1 GLU A 59 -6.807 7.563 -5.957 1.00 0.00 O ATOM 744 OE2 GLU A 59 -5.815 9.398 -5.279 1.00 0.00 O ATOM 0 H GLU A 59 -5.264 5.669 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.635 4.498 -5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.588 7.052 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.754 6.490 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.767 8.582 -6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.621 7.341 -7.329 1.00 0.00 H new ATOM 749 N ILE A 60 -6.391 5.428 -3.857 1.00 0.00 N ATOM 750 CA ILE A 60 -7.228 5.187 -2.661 1.00 0.00 C ATOM 751 C ILE A 60 -7.022 3.793 -2.040 1.00 0.00 C ATOM 752 O ILE A 60 -6.985 3.699 -0.812 1.00 0.00 O ATOM 753 CB ILE A 60 -8.713 5.484 -2.988 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.968 7.002 -3.134 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.682 4.900 -1.948 1.00 0.00 C ATOM 756 CD1 ILE A 60 -8.880 7.837 -1.849 1.00 0.00 C ATOM 0 H ILE A 60 -6.913 5.854 -4.623 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.902 5.880 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.909 4.992 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.250 7.401 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.960 7.142 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.707 5.140 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.561 3.818 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.466 5.327 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.078 8.884 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.618 7.479 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.882 7.742 -1.421 1.00 0.00 H new ATOM 767 N THR A 61 -6.775 2.759 -2.859 1.00 0.00 N ATOM 768 CA THR A 61 -6.449 1.359 -2.489 1.00 0.00 C ATOM 769 C THR A 61 -5.313 1.229 -1.490 1.00 0.00 C ATOM 770 O THR A 61 -5.188 0.217 -0.799 1.00 0.00 O ATOM 771 CB THR A 61 -6.043 0.598 -3.757 1.00 0.00 C ATOM 772 OG1 THR A 61 -7.082 0.713 -4.682 1.00 0.00 O ATOM 773 CG2 THR A 61 -5.764 -0.896 -3.587 1.00 0.00 C ATOM 0 H THR A 61 -6.798 2.880 -3.871 1.00 0.00 H new ATOM 0 HA THR A 61 -7.343 0.952 -2.018 1.00 0.00 H new ATOM 0 HB THR A 61 -5.102 1.051 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.879 1.435 -5.313 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.487 -1.326 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.948 -1.035 -2.878 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.659 -1.393 -3.212 1.00 0.00 H new ATOM 781 N ILE A 62 -4.452 2.236 -1.418 1.00 0.00 N ATOM 782 CA ILE A 62 -3.354 2.237 -0.439 1.00 0.00 C ATOM 783 C ILE A 62 -3.086 3.586 0.233 1.00 0.00 C ATOM 784 O ILE A 62 -2.520 3.600 1.323 1.00 0.00 O ATOM 785 CB ILE A 62 -2.140 1.528 -1.082 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.295 0.800 -0.019 1.00 0.00 C ATOM 787 CG2 ILE A 62 -1.316 2.463 -1.979 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.446 -0.326 -0.616 1.00 0.00 C ATOM 0 H ILE A 62 -4.485 3.060 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.646 1.661 0.439 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.526 0.762 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.643 1.519 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.954 0.388 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.477 1.913 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.945 2.843 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.940 3.297 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.130 -0.806 0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.097 -1.061 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.235 0.087 -1.360 1.00 0.00 H new ATOM 799 N GLN A 63 -3.594 4.689 -0.325 1.00 0.00 N ATOM 800 CA GLN A 63 -3.639 6.008 0.309 1.00 0.00 C ATOM 801 C GLN A 63 -4.258 5.918 1.706 1.00 0.00 C ATOM 802 O GLN A 63 -3.576 6.221 2.680 1.00 0.00 O ATOM 803 CB GLN A 63 -4.420 6.979 -0.603 1.00 0.00 C ATOM 804 CG GLN A 63 -4.310 8.466 -0.223 1.00 0.00 C ATOM 805 CD GLN A 63 -5.358 8.927 0.793 1.00 0.00 C ATOM 806 OE1 GLN A 63 -5.085 9.090 1.975 1.00 0.00 O ATOM 807 NE2 GLN A 63 -6.580 9.177 0.379 1.00 0.00 N ATOM 0 H GLN A 63 -3.998 4.687 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.626 6.389 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.066 6.855 -1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.472 6.695 -0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.317 8.654 0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.404 9.069 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.823 9.046 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.286 9.502 1.040 1.00 0.00 H new ATOM 814 N GLU A 64 -5.508 5.454 1.827 1.00 0.00 N ATOM 815 CA GLU A 64 -6.229 5.485 3.105 1.00 0.00 C ATOM 816 C GLU A 64 -5.637 4.500 4.125 1.00 0.00 C ATOM 817 O GLU A 64 -5.612 4.794 5.321 1.00 0.00 O ATOM 818 CB GLU A 64 -7.733 5.210 2.919 1.00 0.00 C ATOM 819 CG GLU A 64 -8.367 5.980 1.753 1.00 0.00 C ATOM 820 CD GLU A 64 -9.896 5.905 1.771 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.460 4.798 1.936 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.557 6.960 1.631 1.00 0.00 O ATOM 0 H GLU A 64 -6.041 5.053 1.055 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.109 6.494 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.880 4.142 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.256 5.469 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.056 7.024 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.997 5.577 0.810 1.00 0.00 H new ATOM 827 N ARG A 65 -5.136 3.339 3.680 1.00 0.00 N ATOM 828 CA ARG A 65 -4.448 2.377 4.552 1.00 0.00 C ATOM 829 C ARG A 65 -3.109 2.883 5.075 1.00 0.00 C ATOM 830 O ARG A 65 -2.683 2.461 6.143 1.00 0.00 O ATOM 831 CB ARG A 65 -4.205 1.051 3.824 1.00 0.00 C ATOM 832 CG ARG A 65 -5.446 0.158 3.848 1.00 0.00 C ATOM 833 CD ARG A 65 -5.123 -1.236 3.297 1.00 0.00 C ATOM 834 NE ARG A 65 -4.618 -1.190 1.915 1.00 0.00 N ATOM 835 CZ ARG A 65 -3.697 -1.974 1.372 1.00 0.00 C ATOM 836 NH1 ARG A 65 -2.980 -2.832 2.057 1.00 0.00 N ATOM 837 NH2 ARG A 65 -3.474 -1.906 0.082 1.00 0.00 N ATOM 0 H ARG A 65 -5.196 3.041 2.706 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.115 2.235 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.919 1.250 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.370 0.527 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.819 0.073 4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.239 0.614 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.381 -1.713 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.020 -1.855 3.333 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.021 -0.476 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.117 -2.922 3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.285 -3.409 1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.007 -1.254 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.768 -2.505 -0.346 1.00 0.00 H new ATOM 848 N ILE A 66 -2.420 3.753 4.346 1.00 0.00 N ATOM 849 CA ILE A 66 -1.177 4.354 4.837 1.00 0.00 C ATOM 850 C ILE A 66 -1.516 5.575 5.702 1.00 0.00 C ATOM 851 O ILE A 66 -1.118 5.634 6.864 1.00 0.00 O ATOM 852 CB ILE A 66 -0.244 4.612 3.631 1.00 0.00 C ATOM 853 CG1 ILE A 66 0.220 3.255 3.040 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.990 5.414 4.058 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.912 3.369 1.679 1.00 0.00 C ATOM 0 H ILE A 66 -2.697 4.060 3.414 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.618 3.691 5.498 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.796 5.183 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.903 2.779 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.645 2.599 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.631 5.583 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.676 6.373 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.542 4.857 4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.205 2.377 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.226 3.814 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.798 3.997 1.773 1.00 0.00 H new ATOM 866 N ALA A 67 -2.317 6.504 5.182 1.00 0.00 N ATOM 867 CA ALA A 67 -2.604 7.786 5.825 1.00 0.00 C ATOM 868 C ALA A 67 -3.368 7.627 7.151 1.00 0.00 C ATOM 869 O ALA A 67 -2.996 8.238 8.152 1.00 0.00 O ATOM 870 CB ALA A 67 -3.387 8.648 4.828 1.00 0.00 C ATOM 0 H ALA A 67 -2.793 6.385 4.288 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.664 8.270 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.615 9.612 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.787 8.802 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.316 8.143 4.562 1.00 0.00 H new ATOM 876 N ALA A 68 -4.420 6.800 7.195 1.00 0.00 N ATOM 877 CA ALA A 68 -5.263 6.680 8.388 1.00 0.00 C ATOM 878 C ALA A 68 -4.675 5.758 9.470 1.00 0.00 C ATOM 879 O ALA A 68 -4.984 5.952 10.646 1.00 0.00 O ATOM 880 CB ALA A 68 -6.665 6.227 7.965 1.00 0.00 C ATOM 0 H ALA A 68 -4.707 6.205 6.418 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.315 7.663 8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.299 6.135 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.095 6.962 7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.599 5.262 7.463 1.00 0.00 H new ATOM 886 N LEU A 69 -3.849 4.765 9.107 1.00 0.00 N ATOM 887 CA LEU A 69 -3.317 3.782 10.068 1.00 0.00 C ATOM 888 C LEU A 69 -2.026 4.221 10.788 1.00 0.00 C ATOM 889 O LEU A 69 -1.623 3.530 11.731 1.00 0.00 O ATOM 890 CB LEU A 69 -3.171 2.399 9.400 1.00 0.00 C ATOM 891 CG LEU A 69 -4.444 1.860 8.702 1.00 0.00 C ATOM 892 CD1 LEU A 69 -4.202 0.424 8.212 1.00 0.00 C ATOM 893 CD2 LEU A 69 -5.678 1.865 9.616 1.00 0.00 C ATOM 0 H LEU A 69 -3.532 4.620 8.148 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.055 3.711 10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.369 2.453 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.860 1.680 10.158 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.646 2.530 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.101 0.050 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.373 0.416 7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.960 -0.214 9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.537 1.476 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.488 1.238 10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.886 2.884 9.941 1.00 0.00 H new ATOM 904 N GLY A 70 -1.419 5.356 10.398 1.00 0.00 N ATOM 905 CA GLY A 70 -0.310 6.008 11.123 1.00 0.00 C ATOM 906 C GLY A 70 0.939 6.355 10.301 1.00 0.00 C ATOM 907 O GLY A 70 2.022 6.477 10.877 1.00 0.00 O ATOM 0 H GLY A 70 -1.690 5.857 9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.689 6.927 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.008 5.355 11.942 1.00 0.00 H new ATOM 911 N TYR A 71 0.821 6.483 8.976 1.00 0.00 N ATOM 912 CA TYR A 71 1.950 6.536 8.026 1.00 0.00 C ATOM 913 C TYR A 71 1.744 7.601 6.919 1.00 0.00 C ATOM 914 O TYR A 71 0.728 8.302 6.934 1.00 0.00 O ATOM 915 CB TYR A 71 2.097 5.121 7.440 1.00 0.00 C ATOM 916 CG TYR A 71 2.116 4.017 8.475 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.288 3.771 9.204 1.00 0.00 C ATOM 918 CD2 TYR A 71 0.935 3.308 8.778 1.00 0.00 C ATOM 919 CE1 TYR A 71 3.290 2.815 10.233 1.00 0.00 C ATOM 920 CE2 TYR A 71 0.927 2.359 9.816 1.00 0.00 C ATOM 921 CZ TYR A 71 2.106 2.121 10.555 1.00 0.00 C ATOM 922 OH TYR A 71 2.097 1.262 11.607 1.00 0.00 O ATOM 0 H TYR A 71 -0.086 6.555 8.516 1.00 0.00 H new ATOM 0 HA TYR A 71 2.862 6.841 8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.275 4.940 6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.018 5.075 6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.191 4.317 8.974 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.035 3.494 8.212 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.200 2.611 10.778 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.023 1.815 10.047 1.00 0.00 H new ATOM 0 HH TYR A 71 3.011 1.140 11.938 1.00 0.00 H new ATOM 931 N THR A 72 2.678 7.730 5.954 1.00 0.00 N ATOM 932 CA THR A 72 2.590 8.663 4.796 1.00 0.00 C ATOM 933 C THR A 72 3.291 8.098 3.545 1.00 0.00 C ATOM 934 O THR A 72 4.433 7.662 3.634 1.00 0.00 O ATOM 935 CB THR A 72 3.189 10.040 5.140 1.00 0.00 C ATOM 936 OG1 THR A 72 4.461 9.893 5.740 1.00 0.00 O ATOM 937 CG2 THR A 72 2.317 10.887 6.067 1.00 0.00 C ATOM 0 H THR A 72 3.536 7.179 5.952 1.00 0.00 H new ATOM 0 HA THR A 72 1.529 8.779 4.574 1.00 0.00 H new ATOM 0 HB THR A 72 3.259 10.564 4.187 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.885 9.073 5.411 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.810 11.840 6.260 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.351 11.067 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.167 10.359 7.009 1.00 0.00 H new ATOM 945 N LEU A 73 2.645 8.089 2.368 1.00 0.00 N ATOM 946 CA LEU A 73 3.104 7.342 1.170 1.00 0.00 C ATOM 947 C LEU A 73 3.999 8.117 0.179 1.00 0.00 C ATOM 948 O LEU A 73 3.964 9.350 0.120 1.00 0.00 O ATOM 949 CB LEU A 73 1.905 6.704 0.425 1.00 0.00 C ATOM 950 CG LEU A 73 0.958 7.622 -0.386 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.061 6.736 -1.267 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.056 8.492 0.504 1.00 0.00 C ATOM 0 H LEU A 73 1.778 8.604 2.212 1.00 0.00 H new ATOM 0 HA LEU A 73 3.758 6.572 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.302 5.953 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.301 6.176 1.163 1.00 0.00 H new ATOM 0 HG LEU A 73 1.580 8.294 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.614 7.365 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.682 6.149 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.521 6.065 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.584 9.113 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.563 7.851 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.674 9.130 1.135 1.00 0.00 H new ATOM 963 N ALA A 74 4.731 7.376 -0.667 1.00 0.00 N ATOM 964 CA ALA A 74 5.460 7.884 -1.835 1.00 0.00 C ATOM 965 C ALA A 74 5.384 6.908 -3.035 1.00 0.00 C ATOM 966 O ALA A 74 6.203 5.995 -3.178 1.00 0.00 O ATOM 967 CB ALA A 74 6.905 8.189 -1.411 1.00 0.00 C ATOM 0 H ALA A 74 4.834 6.368 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 74 4.993 8.804 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.463 8.568 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.901 8.938 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.377 7.277 -1.045 1.00 0.00 H new ATOM 973 N GLU A 75 4.420 7.131 -3.934 1.00 0.00 N ATOM 974 CA GLU A 75 4.276 6.427 -5.219 1.00 0.00 C ATOM 975 C GLU A 75 4.239 7.458 -6.371 1.00 0.00 C ATOM 976 O GLU A 75 3.173 7.708 -6.945 1.00 0.00 O ATOM 977 CB GLU A 75 3.046 5.490 -5.174 1.00 0.00 C ATOM 978 CG GLU A 75 3.099 4.333 -6.187 1.00 0.00 C ATOM 979 CD GLU A 75 2.781 4.696 -7.634 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.635 5.088 -7.947 1.00 0.00 O ATOM 981 OE2 GLU A 75 3.658 4.477 -8.504 1.00 0.00 O ATOM 0 H GLU A 75 3.692 7.830 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 75 5.136 5.784 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.955 5.075 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.147 6.079 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.096 3.893 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.399 3.562 -5.865 1.00 0.00 H new ATOM 986 N PRO A 76 5.386 8.103 -6.684 1.00 0.00 N ATOM 987 CA PRO A 76 5.483 9.205 -7.644 1.00 0.00 C ATOM 988 C PRO A 76 5.149 8.809 -9.085 1.00 0.00 C ATOM 989 O PRO A 76 4.422 9.584 -9.747 1.00 0.00 O ATOM 990 CB PRO A 76 6.904 9.765 -7.501 1.00 0.00 C ATOM 991 CG PRO A 76 7.707 8.581 -6.973 1.00 0.00 C ATOM 992 CD PRO A 76 6.693 7.882 -6.073 1.00 0.00 C ATOM 0 HA PRO A 76 4.731 9.961 -7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.293 10.119 -8.456 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.934 10.609 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.053 7.932 -7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.590 8.902 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.911 6.817 -5.995 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.724 8.289 -5.062 1.00 0.00 H new