USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 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 -121:sc= 0.0896 USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0.0921 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -159:sc= 0 (180deg=0) USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0.00105 USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 1.06 K(o=1.1,f=-0.88) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 12 MET CE :methyl 174:sc= -0.0207 (180deg=-0.173) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -119:sc= 0 (180deg=-0.106) 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 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.331 -5.052 -15.104 1.00 0.00 N ATOM 14 CA LEU A 7 -4.646 -4.880 -13.828 1.00 0.00 C ATOM 15 C LEU A 7 -3.197 -4.451 -14.046 1.00 0.00 C ATOM 16 O LEU A 7 -2.550 -4.801 -15.041 1.00 0.00 O ATOM 17 CB LEU A 7 -4.734 -6.178 -13.005 1.00 0.00 C ATOM 18 CG LEU A 7 -5.995 -6.235 -12.124 1.00 0.00 C ATOM 19 CD1 LEU A 7 -7.303 -6.200 -12.930 1.00 0.00 C ATOM 20 CD2 LEU A 7 -5.970 -7.509 -11.274 1.00 0.00 C ATOM 0 HA LEU A 7 -5.138 -4.087 -13.265 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.728 -7.033 -13.681 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.850 -6.264 -12.374 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.977 -5.343 -11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.152 -6.243 -12.248 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.349 -5.277 -13.509 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.337 -7.054 -13.606 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.863 -7.548 -10.651 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.945 -8.382 -11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.084 -7.505 -10.639 1.00 0.00 H new ATOM 31 N LYS A 8 -2.683 -3.702 -13.078 1.00 0.00 N ATOM 32 CA LYS A 8 -1.306 -3.221 -13.048 1.00 0.00 C ATOM 33 C LYS A 8 -0.652 -3.540 -11.701 1.00 0.00 C ATOM 34 O LYS A 8 -1.240 -3.242 -10.657 1.00 0.00 O ATOM 35 CB LYS A 8 -1.284 -1.724 -13.380 1.00 0.00 C ATOM 36 CG LYS A 8 -2.188 -0.822 -12.521 1.00 0.00 C ATOM 37 CD LYS A 8 -1.873 0.649 -12.831 1.00 0.00 C ATOM 38 CE LYS A 8 -2.442 1.594 -11.770 1.00 0.00 C ATOM 39 NZ LYS A 8 -2.045 3.000 -12.022 1.00 0.00 N ATOM 0 H LYS A 8 -3.228 -3.404 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.715 -3.737 -13.805 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.258 -1.368 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.571 -1.601 -14.424 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.237 -1.034 -12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.026 -1.026 -11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.793 0.783 -12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.284 0.910 -13.806 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.529 1.519 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.092 1.288 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.127 3.547 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.061 3.028 -12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.669 3.413 -12.745 1.00 0.00 H new ATOM 49 N THR A 9 0.549 -4.128 -11.723 1.00 0.00 N ATOM 50 CA THR A 9 1.433 -4.295 -10.556 1.00 0.00 C ATOM 51 C THR A 9 2.422 -3.133 -10.477 1.00 0.00 C ATOM 52 O THR A 9 2.703 -2.504 -11.496 1.00 0.00 O ATOM 53 CB THR A 9 2.112 -5.668 -10.588 1.00 0.00 C ATOM 54 OG1 THR A 9 2.690 -5.891 -9.328 1.00 0.00 O ATOM 55 CG2 THR A 9 3.189 -5.820 -11.663 1.00 0.00 C ATOM 0 H THR A 9 0.948 -4.514 -12.578 1.00 0.00 H new ATOM 0 HA THR A 9 0.843 -4.268 -9.640 1.00 0.00 H new ATOM 0 HB THR A 9 1.342 -6.399 -10.835 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.131 -6.766 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.615 -6.822 -11.612 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.746 -5.664 -12.647 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.975 -5.083 -11.498 1.00 0.00 H new ATOM 63 N GLN A 10 2.941 -2.829 -9.288 1.00 0.00 N ATOM 64 CA GLN A 10 3.909 -1.757 -9.051 1.00 0.00 C ATOM 65 C GLN A 10 4.422 -1.789 -7.609 1.00 0.00 C ATOM 66 O GLN A 10 3.727 -2.253 -6.697 1.00 0.00 O ATOM 67 CB GLN A 10 3.357 -0.347 -9.384 1.00 0.00 C ATOM 68 CG GLN A 10 2.080 0.091 -8.648 1.00 0.00 C ATOM 69 CD GLN A 10 0.826 -0.171 -9.476 1.00 0.00 C ATOM 70 OE1 GLN A 10 0.512 0.550 -10.414 1.00 0.00 O ATOM 71 NE2 GLN A 10 0.083 -1.210 -9.172 1.00 0.00 N ATOM 0 H GLN A 10 2.693 -3.336 -8.438 1.00 0.00 H new ATOM 0 HA GLN A 10 4.736 -1.946 -9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.139 0.382 -9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.163 -0.303 -10.456 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.007 -0.442 -7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.144 1.153 -8.412 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.343 -1.812 -8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.754 -1.415 -9.717 1.00 0.00 H new ATOM 78 N GLN A 11 5.617 -1.230 -7.406 1.00 0.00 N ATOM 79 CA GLN A 11 6.107 -0.811 -6.095 1.00 0.00 C ATOM 80 C GLN A 11 5.727 0.651 -5.799 1.00 0.00 C ATOM 81 O GLN A 11 5.649 1.483 -6.710 1.00 0.00 O ATOM 82 CB GLN A 11 7.633 -0.977 -6.025 1.00 0.00 C ATOM 83 CG GLN A 11 8.072 -2.451 -5.999 1.00 0.00 C ATOM 84 CD GLN A 11 9.586 -2.614 -6.136 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.365 -1.683 -5.956 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.053 -3.790 -6.498 1.00 0.00 N ATOM 0 H GLN A 11 6.280 -1.054 -8.161 1.00 0.00 H new ATOM 0 HA GLN A 11 5.638 -1.445 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.087 -0.482 -6.884 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.008 -0.475 -5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.744 -2.908 -5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.577 -2.988 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.412 -4.569 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.056 -3.923 -6.627 1.00 0.00 H new ATOM 93 N MET A 12 5.564 0.974 -4.511 1.00 0.00 N ATOM 94 CA MET A 12 5.415 2.335 -3.978 1.00 0.00 C ATOM 95 C MET A 12 6.458 2.608 -2.894 1.00 0.00 C ATOM 96 O MET A 12 6.897 1.693 -2.190 1.00 0.00 O ATOM 97 CB MET A 12 3.998 2.569 -3.430 1.00 0.00 C ATOM 98 CG MET A 12 3.608 1.633 -2.276 1.00 0.00 C ATOM 99 SD MET A 12 2.087 2.088 -1.399 1.00 0.00 S ATOM 100 CE MET A 12 0.916 2.237 -2.771 1.00 0.00 C ATOM 0 H MET A 12 5.531 0.264 -3.779 1.00 0.00 H new ATOM 0 HA MET A 12 5.577 3.032 -4.800 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.918 3.601 -3.089 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.281 2.445 -4.242 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.494 0.623 -2.670 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.428 1.604 -1.559 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.086 2.408 -2.377 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.204 3.075 -3.406 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.924 1.318 -3.357 1.00 0.00 H new ATOM 108 N GLN A 13 6.820 3.879 -2.740 1.00 0.00 N ATOM 109 CA GLN A 13 7.711 4.337 -1.683 1.00 0.00 C ATOM 110 C GLN A 13 6.865 4.712 -0.462 1.00 0.00 C ATOM 111 O GLN A 13 5.938 5.510 -0.577 1.00 0.00 O ATOM 112 CB GLN A 13 8.527 5.534 -2.194 1.00 0.00 C ATOM 113 CG GLN A 13 9.572 6.019 -1.179 1.00 0.00 C ATOM 114 CD GLN A 13 10.196 7.339 -1.616 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.712 8.417 -1.289 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.286 7.314 -2.345 1.00 0.00 N ATOM 0 H GLN A 13 6.498 4.627 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 13 8.411 3.553 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.029 5.256 -3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.850 6.354 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.104 6.141 -0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.351 5.265 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.695 6.421 -2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.725 8.187 -2.636 1.00 0.00 H new ATOM 123 N VAL A 14 7.198 4.186 0.715 1.00 0.00 N ATOM 124 CA VAL A 14 6.424 4.295 1.964 1.00 0.00 C ATOM 125 C VAL A 14 7.355 4.679 3.127 1.00 0.00 C ATOM 126 O VAL A 14 8.558 4.411 3.096 1.00 0.00 O ATOM 127 CB VAL A 14 5.642 2.975 2.218 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.092 2.825 3.646 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.459 2.856 1.245 1.00 0.00 C ATOM 0 H VAL A 14 8.054 3.645 0.837 1.00 0.00 H new ATOM 0 HA VAL A 14 5.683 5.090 1.879 1.00 0.00 H new ATOM 0 HB VAL A 14 6.376 2.184 2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.561 1.877 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.917 2.846 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.407 3.645 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.923 1.927 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.784 3.700 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.830 2.856 0.220 1.00 0.00 H new ATOM 139 N GLY A 15 6.803 5.370 4.131 1.00 0.00 N ATOM 140 CA GLY A 15 7.533 5.885 5.295 1.00 0.00 C ATOM 141 C GLY A 15 7.780 4.842 6.391 1.00 0.00 C ATOM 142 O GLY A 15 8.313 3.762 6.132 1.00 0.00 O ATOM 0 H GLY A 15 5.808 5.593 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.493 6.281 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.975 6.719 5.721 1.00 0.00 H new ATOM 146 N GLY A 16 7.400 5.175 7.629 1.00 0.00 N ATOM 147 CA GLY A 16 7.741 4.455 8.869 1.00 0.00 C ATOM 148 C GLY A 16 7.103 3.076 9.074 1.00 0.00 C ATOM 149 O GLY A 16 7.200 2.525 10.168 1.00 0.00 O ATOM 0 H GLY A 16 6.818 5.993 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.824 4.335 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.463 5.085 9.714 1.00 0.00 H new ATOM 153 N MET A 17 6.509 2.477 8.035 1.00 0.00 N ATOM 154 CA MET A 17 5.893 1.137 8.062 1.00 0.00 C ATOM 155 C MET A 17 6.889 0.000 8.390 1.00 0.00 C ATOM 156 O MET A 17 6.466 -1.112 8.693 1.00 0.00 O ATOM 157 CB MET A 17 5.208 0.916 6.700 1.00 0.00 C ATOM 158 CG MET A 17 4.293 -0.314 6.668 1.00 0.00 C ATOM 159 SD MET A 17 3.453 -0.612 5.091 1.00 0.00 S ATOM 160 CE MET A 17 4.867 -1.172 4.104 1.00 0.00 C ATOM 0 H MET A 17 6.439 2.923 7.120 1.00 0.00 H new ATOM 0 HA MET A 17 5.167 1.102 8.874 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.623 1.801 6.449 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.973 0.810 5.931 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.886 -1.194 6.917 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.539 -0.206 7.448 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.016 -0.494 3.264 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.763 -1.183 4.725 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.674 -2.177 3.729 1.00 0.00 H new ATOM 219 N CYS A 22 3.619 -2.960 12.362 1.00 0.00 N ATOM 220 CA CYS A 22 3.162 -1.798 11.597 1.00 0.00 C ATOM 221 C CYS A 22 2.811 -2.139 10.147 1.00 0.00 C ATOM 222 O CYS A 22 1.708 -1.825 9.700 1.00 0.00 O ATOM 223 CB CYS A 22 4.229 -0.698 11.704 1.00 0.00 C ATOM 224 SG CYS A 22 4.467 -0.268 13.453 1.00 0.00 S ATOM 0 HA CYS A 22 2.227 -1.437 12.025 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.168 -1.042 11.270 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.920 0.182 11.139 1.00 0.00 H new ATOM 0 HG CYS A 22 4.222 0.997 13.626 1.00 0.00 H new ATOM 229 N ALA A 23 3.684 -2.859 9.437 1.00 0.00 N ATOM 230 CA ALA A 23 3.354 -3.444 8.142 1.00 0.00 C ATOM 231 C ALA A 23 2.155 -4.403 8.224 1.00 0.00 C ATOM 232 O ALA A 23 1.383 -4.502 7.274 1.00 0.00 O ATOM 233 CB ALA A 23 4.613 -4.146 7.634 1.00 0.00 C ATOM 0 H ALA A 23 4.637 -3.050 9.746 1.00 0.00 H new ATOM 0 HA ALA A 23 3.045 -2.664 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.410 -4.599 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.419 -3.419 7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.908 -4.920 8.342 1.00 0.00 H new ATOM 239 N SER A 24 1.936 -5.050 9.370 1.00 0.00 N ATOM 240 CA SER A 24 0.798 -5.962 9.549 1.00 0.00 C ATOM 241 C SER A 24 -0.513 -5.185 9.764 1.00 0.00 C ATOM 242 O SER A 24 -1.537 -5.557 9.208 1.00 0.00 O ATOM 243 CB SER A 24 1.067 -6.960 10.686 1.00 0.00 C ATOM 244 OG SER A 24 2.291 -7.665 10.496 1.00 0.00 O ATOM 0 H SER A 24 2.532 -4.961 10.193 1.00 0.00 H new ATOM 0 HA SER A 24 0.680 -6.538 8.631 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.099 -6.427 11.637 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.244 -7.672 10.747 1.00 0.00 H new ATOM 0 HG SER A 24 2.428 -8.289 11.239 1.00 0.00 H new ATOM 249 N SER A 25 -0.498 -4.050 10.467 1.00 0.00 N ATOM 250 CA SER A 25 -1.664 -3.166 10.645 1.00 0.00 C ATOM 251 C SER A 25 -2.141 -2.529 9.324 1.00 0.00 C ATOM 252 O SER A 25 -3.323 -2.191 9.190 1.00 0.00 O ATOM 253 CB SER A 25 -1.378 -2.069 11.694 1.00 0.00 C ATOM 254 OG SER A 25 -0.923 -2.610 12.932 1.00 0.00 O ATOM 0 H SER A 25 0.339 -3.709 10.940 1.00 0.00 H new ATOM 0 HA SER A 25 -2.473 -3.801 11.007 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.628 -1.382 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.284 -1.488 11.865 1.00 0.00 H new ATOM 0 HG SER A 25 -0.753 -1.881 13.565 1.00 0.00 H new ATOM 259 N ILE A 26 -1.248 -2.413 8.327 1.00 0.00 N ATOM 260 CA ILE A 26 -1.614 -2.166 6.922 1.00 0.00 C ATOM 261 C ILE A 26 -2.108 -3.463 6.264 1.00 0.00 C ATOM 262 O ILE A 26 -3.234 -3.494 5.763 1.00 0.00 O ATOM 263 CB ILE A 26 -0.455 -1.494 6.128 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.308 0.018 6.429 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.672 -1.603 4.601 1.00 0.00 C ATOM 266 CD1 ILE A 26 0.316 0.372 7.777 1.00 0.00 C ATOM 0 H ILE A 26 -0.242 -2.489 8.475 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.438 -1.453 6.903 1.00 0.00 H new ATOM 0 HB ILE A 26 0.438 -2.030 6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.296 0.468 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.295 0.477 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.157 -1.123 4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.721 -2.654 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.605 -1.109 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.369 1.456 7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.296 -0.039 8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.320 -0.048 7.834 1.00 0.00 H new ATOM 277 N GLU A 27 -1.287 -4.518 6.221 1.00 0.00 N ATOM 278 CA GLU A 27 -1.542 -5.637 5.306 1.00 0.00 C ATOM 279 C GLU A 27 -2.753 -6.484 5.719 1.00 0.00 C ATOM 280 O GLU A 27 -3.486 -6.954 4.846 1.00 0.00 O ATOM 281 CB GLU A 27 -0.298 -6.512 5.075 1.00 0.00 C ATOM 282 CG GLU A 27 -0.352 -7.109 3.657 1.00 0.00 C ATOM 283 CD GLU A 27 0.744 -8.134 3.392 1.00 0.00 C ATOM 284 OE1 GLU A 27 0.604 -9.290 3.860 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.692 -7.864 2.624 1.00 0.00 O ATOM 0 H GLU A 27 -0.453 -4.621 6.799 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.791 -5.176 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.607 -5.917 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.258 -7.310 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.324 -7.579 3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.270 -6.303 2.928 1.00 0.00 H new ATOM 290 N ARG A 28 -3.030 -6.586 7.028 1.00 0.00 N ATOM 291 CA ARG A 28 -4.231 -7.230 7.580 1.00 0.00 C ATOM 292 C ARG A 28 -5.525 -6.673 6.961 1.00 0.00 C ATOM 293 O ARG A 28 -6.468 -7.437 6.738 1.00 0.00 O ATOM 294 CB ARG A 28 -4.197 -7.060 9.109 1.00 0.00 C ATOM 295 CG ARG A 28 -5.397 -7.662 9.854 1.00 0.00 C ATOM 296 CD ARG A 28 -5.241 -7.521 11.373 1.00 0.00 C ATOM 297 NE ARG A 28 -4.294 -8.509 11.920 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.792 -8.525 13.150 1.00 0.00 C ATOM 299 NH1 ARG A 28 -3.875 -7.489 13.954 1.00 0.00 N ATOM 300 NH2 ARG A 28 -3.201 -9.610 13.593 1.00 0.00 N ATOM 0 H ARG A 28 -2.411 -6.214 7.748 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.229 -8.291 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.284 -7.518 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.141 -5.996 9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.313 -7.165 9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.498 -8.716 9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.895 -6.515 11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.213 -7.645 11.851 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.994 -9.255 11.292 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.337 -6.635 13.640 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.478 -7.538 14.892 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.130 -10.433 12.994 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.813 -9.631 14.536 1.00 0.00 H new ATOM 311 N ALA A 29 -5.558 -5.376 6.625 1.00 0.00 N ATOM 312 CA ALA A 29 -6.645 -4.757 5.865 1.00 0.00 C ATOM 313 C ALA A 29 -6.446 -4.895 4.347 1.00 0.00 C ATOM 314 O ALA A 29 -7.406 -5.169 3.634 1.00 0.00 O ATOM 315 CB ALA A 29 -6.739 -3.283 6.264 1.00 0.00 C ATOM 0 H ALA A 29 -4.818 -4.721 6.879 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.575 -5.274 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.545 -2.806 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.942 -3.207 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.797 -2.784 6.038 1.00 0.00 H new ATOM 321 N LEU A 30 -5.220 -4.735 3.833 1.00 0.00 N ATOM 322 CA LEU A 30 -4.925 -4.728 2.390 1.00 0.00 C ATOM 323 C LEU A 30 -5.265 -6.048 1.669 1.00 0.00 C ATOM 324 O LEU A 30 -5.594 -6.028 0.483 1.00 0.00 O ATOM 325 CB LEU A 30 -3.447 -4.340 2.203 1.00 0.00 C ATOM 326 CG LEU A 30 -3.009 -4.026 0.758 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.851 -2.920 0.110 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.533 -3.604 0.767 1.00 0.00 C ATOM 0 H LEU A 30 -4.392 -4.605 4.414 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.577 -3.993 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.240 -3.467 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.828 -5.153 2.581 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.155 -4.929 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.498 -2.742 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.896 -3.228 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.758 -2.003 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.213 -3.379 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.412 -2.718 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.925 -4.415 1.168 1.00 0.00 H new ATOM 339 N GLU A 31 -5.253 -7.185 2.370 1.00 0.00 N ATOM 340 CA GLU A 31 -5.740 -8.464 1.835 1.00 0.00 C ATOM 341 C GLU A 31 -7.283 -8.541 1.777 1.00 0.00 C ATOM 342 O GLU A 31 -7.835 -9.422 1.107 1.00 0.00 O ATOM 343 CB GLU A 31 -5.113 -9.643 2.603 1.00 0.00 C ATOM 344 CG GLU A 31 -5.444 -9.682 4.101 1.00 0.00 C ATOM 345 CD GLU A 31 -4.763 -10.834 4.845 1.00 0.00 C ATOM 346 OE1 GLU A 31 -3.578 -11.159 4.586 1.00 0.00 O ATOM 347 OE2 GLU A 31 -5.428 -11.421 5.737 1.00 0.00 O ATOM 0 H GLU A 31 -4.905 -7.247 3.327 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.414 -8.533 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.447 -10.575 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.030 -9.601 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.145 -8.738 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.524 -9.767 4.225 1.00 0.00 H new ATOM 352 N ARG A 32 -7.996 -7.610 2.424 1.00 0.00 N ATOM 353 CA ARG A 32 -9.463 -7.562 2.498 1.00 0.00 C ATOM 354 C ARG A 32 -10.135 -6.400 1.735 1.00 0.00 C ATOM 355 O ARG A 32 -11.337 -6.491 1.483 1.00 0.00 O ATOM 356 CB ARG A 32 -9.910 -7.484 3.969 1.00 0.00 C ATOM 357 CG ARG A 32 -9.561 -8.739 4.776 1.00 0.00 C ATOM 358 CD ARG A 32 -10.165 -8.639 6.178 1.00 0.00 C ATOM 359 NE ARG A 32 -9.954 -9.877 6.937 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.494 -10.177 8.111 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.357 -9.387 8.715 1.00 0.00 N ATOM 362 NH2 ARG A 32 -10.169 -11.299 8.709 1.00 0.00 N ATOM 0 H ARG A 32 -7.552 -6.842 2.928 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.788 -8.480 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.443 -6.618 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.988 -7.325 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.941 -9.626 4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.479 -8.850 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.716 -7.801 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.233 -8.433 6.103 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.334 -10.573 6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.634 -8.507 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.749 -9.655 9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.504 -11.936 8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.582 -11.534 9.612 1.00 0.00 H new ATOM 373 N LEU A 33 -9.424 -5.316 1.387 1.00 0.00 N ATOM 374 CA LEU A 33 -10.022 -4.083 0.823 1.00 0.00 C ATOM 375 C LEU A 33 -10.825 -4.250 -0.479 1.00 0.00 C ATOM 376 O LEU A 33 -11.704 -3.417 -0.716 1.00 0.00 O ATOM 377 CB LEU A 33 -8.929 -3.015 0.580 1.00 0.00 C ATOM 378 CG LEU A 33 -8.251 -2.392 1.815 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.232 -1.332 1.373 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.249 -1.748 2.783 1.00 0.00 C ATOM 0 H LEU A 33 -8.410 -5.264 1.488 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.740 -3.777 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.152 -3.465 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.372 -2.207 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.757 -3.207 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.757 -0.896 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.474 -1.797 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.742 -0.550 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.712 -1.327 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.794 -0.956 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.952 -2.503 3.136 1.00 0.00 H new ATOM 391 N LYS A 34 -10.521 -5.260 -1.309 1.00 0.00 N ATOM 392 CA LYS A 34 -11.066 -5.487 -2.666 1.00 0.00 C ATOM 393 C LYS A 34 -10.600 -4.430 -3.695 1.00 0.00 C ATOM 394 O LYS A 34 -10.105 -3.355 -3.347 1.00 0.00 O ATOM 395 CB LYS A 34 -12.602 -5.626 -2.655 1.00 0.00 C ATOM 396 CG LYS A 34 -13.086 -6.910 -1.969 1.00 0.00 C ATOM 397 CD LYS A 34 -14.620 -6.905 -1.947 1.00 0.00 C ATOM 398 CE LYS A 34 -15.227 -8.235 -1.495 1.00 0.00 C ATOM 399 NZ LYS A 34 -14.879 -8.587 -0.099 1.00 0.00 N ATOM 0 H LYS A 34 -9.852 -5.982 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.650 -6.439 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.035 -4.764 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.970 -5.609 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.718 -7.786 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.693 -6.968 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.964 -6.113 -1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.989 -6.666 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.312 -8.184 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.885 -9.028 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.318 -9.496 0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.846 -8.665 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.228 -7.847 0.543 1.00 0.00 H new ATOM 409 N GLY A 35 -10.678 -4.744 -4.995 1.00 0.00 N ATOM 410 CA GLY A 35 -10.224 -3.879 -6.108 1.00 0.00 C ATOM 411 C GLY A 35 -8.697 -3.824 -6.257 1.00 0.00 C ATOM 412 O GLY A 35 -8.179 -3.953 -7.364 1.00 0.00 O ATOM 0 H GLY A 35 -11.068 -5.630 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.659 -4.241 -7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.602 -2.869 -5.950 1.00 0.00 H new ATOM 416 N VAL A 36 -7.981 -3.734 -5.134 1.00 0.00 N ATOM 417 CA VAL A 36 -6.679 -4.399 -4.964 1.00 0.00 C ATOM 418 C VAL A 36 -6.853 -5.913 -5.169 1.00 0.00 C ATOM 419 O VAL A 36 -7.885 -6.481 -4.809 1.00 0.00 O ATOM 420 CB VAL A 36 -6.020 -4.064 -3.602 1.00 0.00 C ATOM 421 CG1 VAL A 36 -6.921 -4.382 -2.399 1.00 0.00 C ATOM 422 CG2 VAL A 36 -4.660 -4.758 -3.426 1.00 0.00 C ATOM 0 H VAL A 36 -8.282 -3.201 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.992 -4.019 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.864 -2.986 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.401 -4.124 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.841 -3.802 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.161 -5.445 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.239 -4.492 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.793 -5.838 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.982 -4.436 -4.217 1.00 0.00 H new ATOM 432 N ALA A 37 -5.868 -6.549 -5.805 1.00 0.00 N ATOM 433 CA ALA A 37 -5.928 -7.935 -6.270 1.00 0.00 C ATOM 434 C ALA A 37 -4.843 -8.839 -5.663 1.00 0.00 C ATOM 435 O ALA A 37 -5.148 -9.978 -5.294 1.00 0.00 O ATOM 436 CB ALA A 37 -5.811 -7.886 -7.796 1.00 0.00 C ATOM 0 H ALA A 37 -4.978 -6.099 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.868 -8.382 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.850 -8.899 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.635 -7.302 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.864 -7.423 -8.074 1.00 0.00 H new ATOM 442 N GLU A 38 -3.607 -8.346 -5.549 1.00 0.00 N ATOM 443 CA GLU A 38 -2.445 -9.039 -4.974 1.00 0.00 C ATOM 444 C GLU A 38 -1.532 -8.001 -4.312 1.00 0.00 C ATOM 445 O GLU A 38 -1.299 -6.954 -4.912 1.00 0.00 O ATOM 446 CB GLU A 38 -1.649 -9.805 -6.053 1.00 0.00 C ATOM 447 CG GLU A 38 -2.356 -11.052 -6.608 1.00 0.00 C ATOM 448 CD GLU A 38 -1.634 -11.659 -7.810 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.383 -11.633 -7.874 1.00 0.00 O ATOM 450 OE2 GLU A 38 -2.316 -12.090 -8.769 1.00 0.00 O ATOM 0 H GLU A 38 -3.375 -7.406 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.801 -9.764 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.437 -9.126 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.689 -10.105 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.432 -11.801 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.373 -10.788 -6.897 1.00 0.00 H new ATOM 455 N ALA A 39 -0.971 -8.262 -3.124 1.00 0.00 N ATOM 456 CA ALA A 39 -0.142 -7.279 -2.410 1.00 0.00 C ATOM 457 C ALA A 39 0.845 -7.908 -1.412 1.00 0.00 C ATOM 458 O ALA A 39 0.545 -8.920 -0.777 1.00 0.00 O ATOM 459 CB ALA A 39 -1.058 -6.270 -1.706 1.00 0.00 C ATOM 0 H ALA A 39 -1.076 -9.150 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 39 0.478 -6.778 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.451 -5.537 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.675 -5.761 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.699 -6.794 -0.997 1.00 0.00 H new ATOM 465 N SER A 40 2.010 -7.273 -1.253 1.00 0.00 N ATOM 466 CA SER A 40 3.104 -7.740 -0.388 1.00 0.00 C ATOM 467 C SER A 40 3.872 -6.569 0.261 1.00 0.00 C ATOM 468 O SER A 40 4.635 -5.871 -0.420 1.00 0.00 O ATOM 469 CB SER A 40 4.097 -8.592 -1.205 1.00 0.00 C ATOM 470 OG SER A 40 3.488 -9.724 -1.807 1.00 0.00 O ATOM 0 H SER A 40 2.226 -6.399 -1.732 1.00 0.00 H new ATOM 0 HA SER A 40 2.652 -8.336 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.547 -7.972 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.905 -8.924 -0.553 1.00 0.00 H new ATOM 0 HG SER A 40 4.160 -10.227 -2.313 1.00 0.00 H new ATOM 475 N VAL A 41 3.728 -6.370 1.577 1.00 0.00 N ATOM 476 CA VAL A 41 4.570 -5.448 2.380 1.00 0.00 C ATOM 477 C VAL A 41 6.021 -5.943 2.477 1.00 0.00 C ATOM 478 O VAL A 41 6.268 -7.147 2.386 1.00 0.00 O ATOM 479 CB VAL A 41 4.021 -5.210 3.815 1.00 0.00 C ATOM 480 CG1 VAL A 41 2.637 -4.548 3.761 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.008 -6.490 4.674 1.00 0.00 C ATOM 0 H VAL A 41 3.016 -6.847 2.130 1.00 0.00 H new ATOM 0 HA VAL A 41 4.541 -4.499 1.845 1.00 0.00 H new ATOM 0 HB VAL A 41 4.710 -4.527 4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.270 -4.390 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.712 -3.589 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.945 -5.195 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.615 -6.260 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.377 -7.241 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.023 -6.876 4.768 1.00 0.00 H new ATOM 491 N THR A 42 6.967 -5.019 2.696 1.00 0.00 N ATOM 492 CA THR A 42 8.394 -5.305 2.918 1.00 0.00 C ATOM 493 C THR A 42 8.902 -4.440 4.068 1.00 0.00 C ATOM 494 O THR A 42 9.101 -3.238 3.903 1.00 0.00 O ATOM 495 CB THR A 42 9.180 -5.033 1.629 1.00 0.00 C ATOM 496 OG1 THR A 42 8.704 -5.894 0.619 1.00 0.00 O ATOM 497 CG2 THR A 42 10.680 -5.283 1.767 1.00 0.00 C ATOM 0 H THR A 42 6.755 -4.022 2.725 1.00 0.00 H new ATOM 0 HA THR A 42 8.533 -6.353 3.183 1.00 0.00 H new ATOM 0 HB THR A 42 9.033 -3.979 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.198 -5.729 -0.211 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.173 -5.071 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.088 -4.633 2.541 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.852 -6.324 2.040 1.00 0.00 H new ATOM 505 N VAL A 43 9.111 -5.053 5.230 1.00 0.00 N ATOM 506 CA VAL A 43 9.554 -4.401 6.478 1.00 0.00 C ATOM 507 C VAL A 43 11.038 -4.003 6.436 1.00 0.00 C ATOM 508 O VAL A 43 11.381 -2.926 6.920 1.00 0.00 O ATOM 509 CB VAL A 43 9.278 -5.328 7.691 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.971 -4.892 8.993 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.769 -5.377 7.978 1.00 0.00 C ATOM 0 H VAL A 43 8.973 -6.057 5.342 1.00 0.00 H new ATOM 0 HA VAL A 43 8.979 -3.481 6.585 1.00 0.00 H new ATOM 0 HB VAL A 43 9.682 -6.299 7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.725 -5.595 9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.051 -4.877 8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.629 -3.895 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.582 -6.030 8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.409 -4.373 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.245 -5.763 7.104 1.00 0.00 H new ATOM 521 N ALA A 44 11.913 -4.834 5.851 1.00 0.00 N ATOM 522 CA ALA A 44 13.373 -4.661 5.903 1.00 0.00 C ATOM 523 C ALA A 44 13.879 -3.329 5.314 1.00 0.00 C ATOM 524 O ALA A 44 14.914 -2.814 5.754 1.00 0.00 O ATOM 525 CB ALA A 44 14.009 -5.845 5.167 1.00 0.00 C ATOM 0 H ALA A 44 11.623 -5.656 5.321 1.00 0.00 H new ATOM 0 HA ALA A 44 13.664 -4.630 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.094 -5.746 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.720 -6.775 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.666 -5.857 4.133 1.00 0.00 H new ATOM 531 N THR A 45 13.146 -2.792 4.332 1.00 0.00 N ATOM 532 CA THR A 45 13.388 -1.508 3.650 1.00 0.00 C ATOM 533 C THR A 45 12.225 -0.529 3.796 1.00 0.00 C ATOM 534 O THR A 45 12.405 0.657 3.521 1.00 0.00 O ATOM 535 CB THR A 45 13.657 -1.752 2.161 1.00 0.00 C ATOM 536 OG1 THR A 45 12.619 -2.549 1.640 1.00 0.00 O ATOM 537 CG2 THR A 45 14.988 -2.472 1.954 1.00 0.00 C ATOM 0 H THR A 45 12.320 -3.267 3.968 1.00 0.00 H new ATOM 0 HA THR A 45 14.257 -1.057 4.129 1.00 0.00 H new ATOM 0 HB THR A 45 13.702 -0.790 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.778 -2.711 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.153 -2.632 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.797 -1.865 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.965 -3.434 2.466 1.00 0.00 H new ATOM 545 N GLY A 46 11.048 -0.980 4.245 1.00 0.00 N ATOM 546 CA GLY A 46 9.864 -0.142 4.439 1.00 0.00 C ATOM 547 C GLY A 46 9.244 0.270 3.110 1.00 0.00 C ATOM 548 O GLY A 46 9.179 1.464 2.823 1.00 0.00 O ATOM 0 H GLY A 46 10.891 -1.958 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.127 -0.684 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.137 0.748 5.005 1.00 0.00 H new ATOM 552 N ARG A 47 8.802 -0.698 2.299 1.00 0.00 N ATOM 553 CA ARG A 47 8.143 -0.458 1.003 1.00 0.00 C ATOM 554 C ARG A 47 6.976 -1.424 0.752 1.00 0.00 C ATOM 555 O ARG A 47 6.743 -2.343 1.541 1.00 0.00 O ATOM 556 CB ARG A 47 9.180 -0.444 -0.142 1.00 0.00 C ATOM 557 CG ARG A 47 9.735 -1.814 -0.569 1.00 0.00 C ATOM 558 CD ARG A 47 10.685 -1.626 -1.762 1.00 0.00 C ATOM 559 NE ARG A 47 11.020 -2.900 -2.417 1.00 0.00 N ATOM 560 CZ ARG A 47 11.952 -3.103 -3.342 1.00 0.00 C ATOM 561 NH1 ARG A 47 12.683 -2.135 -3.852 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.136 -4.326 -3.775 1.00 0.00 N ATOM 0 H ARG A 47 8.892 -1.688 2.526 1.00 0.00 H new ATOM 0 HA ARG A 47 7.689 0.533 1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.724 0.028 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.017 0.186 0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.264 -2.280 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.918 -2.482 -0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.224 -0.957 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.601 -1.144 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 47 10.478 -3.715 -2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.547 -1.174 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.386 -2.346 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.571 -5.089 -3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.844 -4.515 -4.485 1.00 0.00 H new ATOM 573 N LEU A 48 6.233 -1.223 -0.341 1.00 0.00 N ATOM 574 CA LEU A 48 5.080 -2.056 -0.714 1.00 0.00 C ATOM 575 C LEU A 48 5.100 -2.402 -2.206 1.00 0.00 C ATOM 576 O LEU A 48 5.519 -1.581 -3.023 1.00 0.00 O ATOM 577 CB LEU A 48 3.773 -1.326 -0.325 1.00 0.00 C ATOM 578 CG LEU A 48 2.875 -2.139 0.624 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.816 -1.220 1.233 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.168 -3.303 -0.084 1.00 0.00 C ATOM 0 H LEU A 48 6.416 -0.468 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 48 5.136 -2.999 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.024 -0.377 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.213 -1.092 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 48 3.521 -2.560 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.179 -1.794 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.305 -0.421 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.208 -0.788 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.548 -3.842 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.541 -2.914 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.912 -3.981 -0.502 1.00 0.00 H new ATOM 591 N THR A 49 4.589 -3.592 -2.538 1.00 0.00 N ATOM 592 CA THR A 49 4.273 -4.073 -3.894 1.00 0.00 C ATOM 593 C THR A 49 2.777 -4.336 -3.925 1.00 0.00 C ATOM 594 O THR A 49 2.267 -4.983 -3.013 1.00 0.00 O ATOM 595 CB THR A 49 5.030 -5.368 -4.215 1.00 0.00 C ATOM 596 OG1 THR A 49 6.414 -5.127 -4.118 1.00 0.00 O ATOM 597 CG2 THR A 49 4.748 -5.864 -5.637 1.00 0.00 C ATOM 0 H THR A 49 4.370 -4.290 -1.827 1.00 0.00 H new ATOM 0 HA THR A 49 4.570 -3.331 -4.636 1.00 0.00 H new ATOM 0 HB THR A 49 4.696 -6.124 -3.504 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.904 -5.951 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.305 -6.783 -5.819 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.681 -6.058 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.056 -5.104 -6.355 1.00 0.00 H new ATOM 605 N VAL A 50 2.090 -3.843 -4.952 1.00 0.00 N ATOM 606 CA VAL A 50 0.624 -3.927 -5.060 1.00 0.00 C ATOM 607 C VAL A 50 0.168 -4.072 -6.514 1.00 0.00 C ATOM 608 O VAL A 50 0.682 -3.383 -7.394 1.00 0.00 O ATOM 609 CB VAL A 50 -0.055 -2.720 -4.362 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.297 -1.357 -4.989 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.582 -2.883 -4.319 1.00 0.00 C ATOM 0 H VAL A 50 2.531 -3.370 -5.741 1.00 0.00 H new ATOM 0 HA VAL A 50 0.307 -4.831 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 50 0.346 -2.720 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.216 -0.563 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.374 -1.198 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.018 -1.344 -6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.026 -2.020 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.969 -2.957 -5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.836 -3.788 -3.768 1.00 0.00 H new ATOM 621 N THR A 51 -0.822 -4.944 -6.735 1.00 0.00 N ATOM 622 CA THR A 51 -1.574 -5.134 -7.979 1.00 0.00 C ATOM 623 C THR A 51 -3.008 -4.692 -7.742 1.00 0.00 C ATOM 624 O THR A 51 -3.633 -5.184 -6.806 1.00 0.00 O ATOM 625 CB THR A 51 -1.588 -6.602 -8.427 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.268 -7.084 -8.508 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.218 -6.733 -9.824 1.00 0.00 C ATOM 0 H THR A 51 -1.140 -5.577 -6.001 1.00 0.00 H new ATOM 0 HA THR A 51 -1.092 -4.547 -8.760 1.00 0.00 H new ATOM 0 HB THR A 51 -2.167 -7.172 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.279 -8.022 -8.793 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.220 -7.780 -10.126 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.242 -6.361 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.639 -6.150 -10.540 1.00 0.00 H new ATOM 635 N TYR A 52 -3.549 -3.832 -8.603 1.00 0.00 N ATOM 636 CA TYR A 52 -4.935 -3.346 -8.500 1.00 0.00 C ATOM 637 C TYR A 52 -5.575 -3.000 -9.859 1.00 0.00 C ATOM 638 O TYR A 52 -4.886 -2.862 -10.873 1.00 0.00 O ATOM 639 CB TYR A 52 -5.004 -2.165 -7.513 1.00 0.00 C ATOM 640 CG TYR A 52 -4.412 -0.845 -7.979 1.00 0.00 C ATOM 641 CD1 TYR A 52 -3.032 -0.590 -7.835 1.00 0.00 C ATOM 642 CD2 TYR A 52 -5.256 0.158 -8.495 1.00 0.00 C ATOM 643 CE1 TYR A 52 -2.499 0.670 -8.177 1.00 0.00 C ATOM 644 CE2 TYR A 52 -4.732 1.420 -8.830 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.357 1.687 -8.650 1.00 0.00 C ATOM 646 OH TYR A 52 -2.870 2.919 -8.960 1.00 0.00 O ATOM 0 H TYR A 52 -3.040 -3.447 -9.399 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.535 -4.170 -8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.050 -1.997 -7.258 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.496 -2.460 -6.595 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.379 -1.365 -7.460 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.308 -0.042 -8.634 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.440 0.856 -8.078 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.383 2.186 -9.226 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.602 3.492 -9.270 1.00 0.00 H new ATOM 655 N ASP A 53 -6.906 -2.871 -9.871 1.00 0.00 N ATOM 656 CA ASP A 53 -7.718 -2.483 -11.020 1.00 0.00 C ATOM 657 C ASP A 53 -8.087 -0.985 -10.887 1.00 0.00 C ATOM 658 O ASP A 53 -8.875 -0.629 -9.997 1.00 0.00 O ATOM 659 CB ASP A 53 -8.962 -3.386 -11.057 1.00 0.00 C ATOM 660 CG ASP A 53 -9.849 -3.124 -12.276 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.259 -1.958 -12.478 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.123 -4.080 -13.036 1.00 0.00 O ATOM 0 H ASP A 53 -7.469 -3.043 -9.038 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.176 -2.609 -11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.648 -4.430 -11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.545 -3.231 -10.149 1.00 0.00 H new ATOM 666 N PRO A 54 -7.546 -0.104 -11.753 1.00 0.00 N ATOM 667 CA PRO A 54 -7.729 1.344 -11.663 1.00 0.00 C ATOM 668 C PRO A 54 -9.106 1.823 -12.161 1.00 0.00 C ATOM 669 O PRO A 54 -9.273 3.009 -12.438 1.00 0.00 O ATOM 670 CB PRO A 54 -6.565 1.937 -12.461 1.00 0.00 C ATOM 671 CG PRO A 54 -6.340 0.905 -13.557 1.00 0.00 C ATOM 672 CD PRO A 54 -6.619 -0.414 -12.837 1.00 0.00 C ATOM 0 HA PRO A 54 -7.720 1.678 -10.626 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.815 2.915 -12.873 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.677 2.069 -11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.013 1.056 -14.401 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.324 0.945 -13.949 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.051 -1.145 -13.520 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.697 -0.847 -12.448 1.00 0.00 H new ATOM 677 N LYS A 55 -10.093 0.924 -12.273 1.00 0.00 N ATOM 678 CA LYS A 55 -11.499 1.263 -12.572 1.00 0.00 C ATOM 679 C LYS A 55 -12.476 0.656 -11.548 1.00 0.00 C ATOM 680 O LYS A 55 -13.535 1.231 -11.289 1.00 0.00 O ATOM 681 CB LYS A 55 -11.861 0.841 -14.010 1.00 0.00 C ATOM 682 CG LYS A 55 -11.069 1.629 -15.069 1.00 0.00 C ATOM 683 CD LYS A 55 -11.632 1.484 -16.489 1.00 0.00 C ATOM 684 CE LYS A 55 -11.551 0.050 -17.025 1.00 0.00 C ATOM 685 NZ LYS A 55 -12.136 -0.056 -18.383 1.00 0.00 N ATOM 0 H LYS A 55 -9.939 -0.078 -12.157 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.599 2.346 -12.493 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.667 -0.224 -14.133 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.928 0.991 -14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.063 2.684 -14.795 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.033 1.291 -15.062 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.672 1.810 -16.496 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.086 2.147 -17.159 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.510 -0.272 -17.050 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.077 -0.623 -16.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.065 -1.039 -18.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.136 0.228 -18.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.618 0.568 -19.034 1.00 0.00 H new ATOM 695 N GLN A 56 -12.109 -0.447 -10.881 1.00 0.00 N ATOM 696 CA GLN A 56 -12.754 -0.857 -9.625 1.00 0.00 C ATOM 697 C GLN A 56 -12.360 0.082 -8.472 1.00 0.00 C ATOM 698 O GLN A 56 -13.228 0.460 -7.687 1.00 0.00 O ATOM 699 CB GLN A 56 -12.422 -2.316 -9.271 1.00 0.00 C ATOM 700 CG GLN A 56 -13.021 -3.319 -10.274 1.00 0.00 C ATOM 701 CD GLN A 56 -12.828 -4.782 -9.866 1.00 0.00 C ATOM 702 OE1 GLN A 56 -11.872 -5.176 -9.205 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.741 -5.659 -10.210 1.00 0.00 N ATOM 0 H GLN A 56 -11.366 -1.073 -11.191 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.832 -0.786 -9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.340 -2.441 -9.240 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.798 -2.538 -8.272 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.087 -3.118 -10.383 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.565 -3.160 -11.251 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.549 -5.366 -10.759 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.643 -6.634 -9.928 1.00 0.00 H new ATOM 710 N VAL A 57 -11.088 0.499 -8.386 1.00 0.00 N ATOM 711 CA VAL A 57 -10.575 1.431 -7.354 1.00 0.00 C ATOM 712 C VAL A 57 -9.563 2.416 -7.966 1.00 0.00 C ATOM 713 O VAL A 57 -9.507 2.574 -9.185 1.00 0.00 O ATOM 714 CB VAL A 57 -9.999 0.696 -6.111 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.087 -0.094 -5.363 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.829 -0.242 -6.459 1.00 0.00 C ATOM 0 H VAL A 57 -10.368 0.196 -9.042 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.425 2.006 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.615 1.481 -5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.646 -0.594 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.867 0.590 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.521 -0.838 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.469 -0.727 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.168 -1.000 -7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.020 0.336 -6.907 1.00 0.00 H new ATOM 726 N SER A 58 -8.765 3.085 -7.138 1.00 0.00 N ATOM 727 CA SER A 58 -7.641 3.946 -7.523 1.00 0.00 C ATOM 728 C SER A 58 -6.609 4.003 -6.381 1.00 0.00 C ATOM 729 O SER A 58 -6.761 3.292 -5.381 1.00 0.00 O ATOM 730 CB SER A 58 -8.163 5.348 -7.877 1.00 0.00 C ATOM 731 OG SER A 58 -8.788 5.968 -6.769 1.00 0.00 O ATOM 0 H SER A 58 -8.888 3.041 -6.126 1.00 0.00 H new ATOM 0 HA SER A 58 -7.146 3.534 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.336 5.968 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.872 5.275 -8.701 1.00 0.00 H new ATOM 0 HG SER A 58 -9.106 6.858 -7.029 1.00 0.00 H new ATOM 736 N GLU A 59 -5.593 4.875 -6.484 1.00 0.00 N ATOM 737 CA GLU A 59 -4.601 5.110 -5.417 1.00 0.00 C ATOM 738 C GLU A 59 -5.250 5.327 -4.036 1.00 0.00 C ATOM 739 O GLU A 59 -4.720 4.897 -3.011 1.00 0.00 O ATOM 740 CB GLU A 59 -3.738 6.353 -5.719 1.00 0.00 C ATOM 741 CG GLU A 59 -3.082 6.405 -7.106 1.00 0.00 C ATOM 742 CD GLU A 59 -3.986 7.051 -8.155 1.00 0.00 C ATOM 743 OE1 GLU A 59 -4.162 8.292 -8.126 1.00 0.00 O ATOM 744 OE2 GLU A 59 -4.520 6.324 -9.025 1.00 0.00 O ATOM 0 H GLU A 59 -5.434 5.443 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.989 4.208 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.362 7.239 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.952 6.415 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.148 6.963 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.828 5.393 -7.423 1.00 0.00 H new ATOM 749 N ILE A 60 -6.427 5.962 -4.017 1.00 0.00 N ATOM 750 CA ILE A 60 -7.227 6.286 -2.832 1.00 0.00 C ATOM 751 C ILE A 60 -7.393 5.104 -1.870 1.00 0.00 C ATOM 752 O ILE A 60 -7.171 5.276 -0.667 1.00 0.00 O ATOM 753 CB ILE A 60 -8.592 6.828 -3.328 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.485 8.273 -3.866 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.702 6.681 -2.278 1.00 0.00 C ATOM 756 CD1 ILE A 60 -8.073 9.343 -2.845 1.00 0.00 C ATOM 0 H ILE A 60 -6.872 6.282 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.706 7.041 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.883 6.200 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.764 8.283 -4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.450 8.555 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.636 7.076 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.831 5.627 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.429 7.235 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.031 10.316 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.803 9.375 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.092 9.099 -2.438 1.00 0.00 H new ATOM 767 N THR A 61 -7.769 3.925 -2.387 1.00 0.00 N ATOM 768 CA THR A 61 -8.125 2.753 -1.571 1.00 0.00 C ATOM 769 C THR A 61 -6.978 2.353 -0.645 1.00 0.00 C ATOM 770 O THR A 61 -7.213 2.098 0.534 1.00 0.00 O ATOM 771 CB THR A 61 -8.596 1.611 -2.482 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.917 1.904 -2.875 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.664 0.244 -1.800 1.00 0.00 C ATOM 0 H THR A 61 -7.835 3.756 -3.391 1.00 0.00 H new ATOM 0 HA THR A 61 -8.957 3.007 -0.914 1.00 0.00 H new ATOM 0 HB THR A 61 -7.874 1.549 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.449 1.081 -2.873 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.006 -0.503 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.674 -0.030 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.360 0.289 -0.963 1.00 0.00 H new ATOM 781 N ILE A 62 -5.743 2.353 -1.155 1.00 0.00 N ATOM 782 CA ILE A 62 -4.528 2.029 -0.385 1.00 0.00 C ATOM 783 C ILE A 62 -3.932 3.252 0.337 1.00 0.00 C ATOM 784 O ILE A 62 -3.396 3.093 1.437 1.00 0.00 O ATOM 785 CB ILE A 62 -3.537 1.268 -1.302 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.378 0.685 -0.476 1.00 0.00 C ATOM 787 CG2 ILE A 62 -3.014 2.119 -2.475 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.516 -0.336 -1.227 1.00 0.00 C ATOM 0 H ILE A 62 -5.551 2.581 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.786 1.362 0.438 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.096 0.449 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.741 1.503 -0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.786 0.211 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.325 1.526 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.852 2.440 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.494 2.994 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.723 -0.696 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.136 -1.176 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.074 0.136 -2.105 1.00 0.00 H new ATOM 799 N GLN A 63 -4.094 4.462 -0.212 1.00 0.00 N ATOM 800 CA GLN A 63 -3.665 5.718 0.412 1.00 0.00 C ATOM 801 C GLN A 63 -4.279 5.888 1.806 1.00 0.00 C ATOM 802 O GLN A 63 -3.545 6.137 2.764 1.00 0.00 O ATOM 803 CB GLN A 63 -4.040 6.905 -0.503 1.00 0.00 C ATOM 804 CG GLN A 63 -3.390 8.233 -0.077 1.00 0.00 C ATOM 805 CD GLN A 63 -3.804 9.389 -0.983 1.00 0.00 C ATOM 806 OE1 GLN A 63 -4.797 10.074 -0.757 1.00 0.00 O ATOM 807 NE2 GLN A 63 -3.085 9.655 -2.053 1.00 0.00 N ATOM 0 H GLN A 63 -4.536 4.597 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.583 5.692 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.742 6.674 -1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.124 7.024 -0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.670 8.460 0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.305 8.128 -0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.256 9.099 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.357 10.417 -2.674 1.00 0.00 H new ATOM 814 N GLU A 64 -5.601 5.708 1.927 1.00 0.00 N ATOM 815 CA GLU A 64 -6.337 5.876 3.187 1.00 0.00 C ATOM 816 C GLU A 64 -5.754 5.037 4.328 1.00 0.00 C ATOM 817 O GLU A 64 -5.498 5.583 5.402 1.00 0.00 O ATOM 818 CB GLU A 64 -7.822 5.523 2.990 1.00 0.00 C ATOM 819 CG GLU A 64 -8.598 6.610 2.233 1.00 0.00 C ATOM 820 CD GLU A 64 -10.090 6.294 2.141 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.466 5.107 1.985 1.00 0.00 O ATOM 822 OE2 GLU A 64 -10.910 7.242 2.203 1.00 0.00 O ATOM 0 H GLU A 64 -6.196 5.439 1.144 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.239 6.924 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.898 4.583 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.285 5.364 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.461 7.568 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.188 6.715 1.229 1.00 0.00 H new ATOM 827 N ARG A 65 -5.522 3.736 4.111 1.00 0.00 N ATOM 828 CA ARG A 65 -5.033 2.818 5.148 1.00 0.00 C ATOM 829 C ARG A 65 -3.582 3.121 5.551 1.00 0.00 C ATOM 830 O ARG A 65 -3.259 3.053 6.736 1.00 0.00 O ATOM 831 CB ARG A 65 -5.245 1.369 4.662 1.00 0.00 C ATOM 832 CG ARG A 65 -4.619 0.252 5.520 1.00 0.00 C ATOM 833 CD ARG A 65 -4.959 0.259 7.019 1.00 0.00 C ATOM 834 NE ARG A 65 -6.367 -0.032 7.316 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.842 -0.487 8.470 1.00 0.00 C ATOM 836 NH1 ARG A 65 -6.071 -0.946 9.437 1.00 0.00 N ATOM 837 NH2 ARG A 65 -8.138 -0.477 8.653 1.00 0.00 N ATOM 0 H ARG A 65 -5.669 3.288 3.206 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.606 2.959 6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.317 1.186 4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.844 1.287 3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.927 -0.708 5.106 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.535 0.311 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.333 -0.475 7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.706 1.235 7.433 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.042 0.130 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.058 -0.963 9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.488 -1.284 10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.754 -0.126 7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.532 -0.820 9.529 1.00 0.00 H new ATOM 848 N ILE A 66 -2.696 3.474 4.615 1.00 0.00 N ATOM 849 CA ILE A 66 -1.288 3.779 4.956 1.00 0.00 C ATOM 850 C ILE A 66 -1.174 5.120 5.694 1.00 0.00 C ATOM 851 O ILE A 66 -0.439 5.209 6.678 1.00 0.00 O ATOM 852 CB ILE A 66 -0.395 3.697 3.698 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.395 2.256 3.132 1.00 0.00 C ATOM 854 CG2 ILE A 66 1.052 4.120 4.026 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.093 2.185 1.687 1.00 0.00 C ATOM 0 H ILE A 66 -2.918 3.557 3.623 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.920 3.023 5.650 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.802 4.379 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.239 1.626 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.404 1.848 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.663 4.055 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.057 5.146 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.460 3.459 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.071 1.150 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.556 2.790 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.113 2.564 1.628 1.00 0.00 H new ATOM 866 N ALA A 67 -1.941 6.134 5.283 1.00 0.00 N ATOM 867 CA ALA A 67 -2.007 7.413 5.989 1.00 0.00 C ATOM 868 C ALA A 67 -2.635 7.268 7.393 1.00 0.00 C ATOM 869 O ALA A 67 -2.162 7.896 8.342 1.00 0.00 O ATOM 870 CB ALA A 67 -2.803 8.394 5.116 1.00 0.00 C ATOM 0 H ALA A 67 -2.532 6.090 4.453 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.998 7.791 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.868 9.359 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.300 8.518 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.807 8.002 4.951 1.00 0.00 H new ATOM 876 N ALA A 68 -3.677 6.438 7.551 1.00 0.00 N ATOM 877 CA ALA A 68 -4.432 6.276 8.802 1.00 0.00 C ATOM 878 C ALA A 68 -3.607 5.703 9.967 1.00 0.00 C ATOM 879 O ALA A 68 -3.760 6.169 11.102 1.00 0.00 O ATOM 880 CB ALA A 68 -5.657 5.400 8.517 1.00 0.00 C ATOM 0 H ALA A 68 -4.026 5.848 6.796 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.731 7.270 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.231 5.268 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.281 5.881 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.331 4.427 8.150 1.00 0.00 H new ATOM 886 N LEU A 69 -2.700 4.750 9.705 1.00 0.00 N ATOM 887 CA LEU A 69 -1.729 4.269 10.707 1.00 0.00 C ATOM 888 C LEU A 69 -0.642 5.312 11.055 1.00 0.00 C ATOM 889 O LEU A 69 0.139 5.073 11.974 1.00 0.00 O ATOM 890 CB LEU A 69 -1.114 2.914 10.286 1.00 0.00 C ATOM 891 CG LEU A 69 -1.935 1.639 10.591 1.00 0.00 C ATOM 892 CD1 LEU A 69 -2.484 1.576 12.023 1.00 0.00 C ATOM 893 CD2 LEU A 69 -3.076 1.422 9.595 1.00 0.00 C ATOM 0 H LEU A 69 -2.617 4.291 8.798 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.291 4.111 11.628 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.928 2.947 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.145 2.817 10.775 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.213 0.830 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.047 0.652 12.156 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.656 1.602 12.732 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.139 2.429 12.199 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.619 0.514 9.856 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.756 2.274 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.667 1.324 8.589 1.00 0.00 H new ATOM 904 N GLY A 70 -0.609 6.473 10.389 1.00 0.00 N ATOM 905 CA GLY A 70 0.238 7.619 10.750 1.00 0.00 C ATOM 906 C GLY A 70 1.477 7.804 9.875 1.00 0.00 C ATOM 907 O GLY A 70 2.299 8.667 10.185 1.00 0.00 O ATOM 0 H GLY A 70 -1.184 6.647 9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.363 8.527 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.557 7.505 11.786 1.00 0.00 H new ATOM 911 N TYR A 71 1.621 7.041 8.789 1.00 0.00 N ATOM 912 CA TYR A 71 2.745 7.128 7.843 1.00 0.00 C ATOM 913 C TYR A 71 2.387 7.986 6.607 1.00 0.00 C ATOM 914 O TYR A 71 1.405 8.738 6.641 1.00 0.00 O ATOM 915 CB TYR A 71 3.196 5.695 7.489 1.00 0.00 C ATOM 916 CG TYR A 71 3.389 4.811 8.711 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.361 5.146 9.675 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.535 3.711 8.933 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.451 4.415 10.875 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.625 2.971 10.127 1.00 0.00 C ATOM 921 CZ TYR A 71 3.565 3.341 11.116 1.00 0.00 C ATOM 922 OH TYR A 71 3.595 2.691 12.311 1.00 0.00 O ATOM 0 H TYR A 71 0.942 6.324 8.533 1.00 0.00 H new ATOM 0 HA TYR A 71 3.586 7.646 8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.455 5.239 6.832 1.00 0.00 H new ATOM 0 HB3 TYR A 71 4.131 5.742 6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.039 5.966 9.493 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.808 3.435 8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.197 4.675 11.611 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.977 2.122 10.287 1.00 0.00 H new ATOM 0 HH TYR A 71 2.921 1.979 12.313 1.00 0.00 H new ATOM 931 N THR A 72 3.179 7.901 5.531 1.00 0.00 N ATOM 932 CA THR A 72 2.952 8.555 4.227 1.00 0.00 C ATOM 933 C THR A 72 3.473 7.662 3.097 1.00 0.00 C ATOM 934 O THR A 72 4.139 6.657 3.365 1.00 0.00 O ATOM 935 CB THR A 72 3.631 9.936 4.142 1.00 0.00 C ATOM 936 OG1 THR A 72 4.987 9.826 4.503 1.00 0.00 O ATOM 937 CG2 THR A 72 2.982 10.982 5.046 1.00 0.00 C ATOM 0 H THR A 72 4.037 7.350 5.542 1.00 0.00 H new ATOM 0 HA THR A 72 1.877 8.705 4.123 1.00 0.00 H new ATOM 0 HB THR A 72 3.519 10.267 3.109 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.413 10.707 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.507 11.931 4.939 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.938 11.111 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.038 10.651 6.083 1.00 0.00 H new ATOM 945 N LEU A 73 3.179 8.031 1.844 1.00 0.00 N ATOM 946 CA LEU A 73 3.493 7.242 0.645 1.00 0.00 C ATOM 947 C LEU A 73 3.708 8.098 -0.619 1.00 0.00 C ATOM 948 O LEU A 73 3.374 9.284 -0.635 1.00 0.00 O ATOM 949 CB LEU A 73 2.416 6.157 0.419 1.00 0.00 C ATOM 950 CG LEU A 73 0.986 6.667 0.111 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.216 5.594 -0.673 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.209 7.006 1.396 1.00 0.00 C ATOM 0 H LEU A 73 2.704 8.908 1.630 1.00 0.00 H new ATOM 0 HA LEU A 73 4.451 6.757 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.738 5.521 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.371 5.528 1.308 1.00 0.00 H new ATOM 0 HG LEU A 73 1.080 7.578 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.790 5.953 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.735 5.384 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.156 4.682 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.788 7.360 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.127 6.114 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.738 7.784 1.946 1.00 0.00 H new ATOM 963 N ALA A 74 4.222 7.490 -1.694 1.00 0.00 N ATOM 964 CA ALA A 74 4.356 8.085 -3.031 1.00 0.00 C ATOM 965 C ALA A 74 4.420 7.021 -4.147 1.00 0.00 C ATOM 966 O ALA A 74 5.109 6.001 -4.011 1.00 0.00 O ATOM 967 CB ALA A 74 5.595 8.992 -3.064 1.00 0.00 C ATOM 0 H ALA A 74 4.570 6.532 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 74 3.463 8.679 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.696 9.434 -4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.486 9.784 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.484 8.403 -2.838 1.00 0.00 H new ATOM 973 N GLU A 75 3.756 7.295 -5.273 1.00 0.00 N ATOM 974 CA GLU A 75 3.699 6.451 -6.478 1.00 0.00 C ATOM 975 C GLU A 75 3.580 7.358 -7.732 1.00 0.00 C ATOM 976 O GLU A 75 2.514 7.455 -8.357 1.00 0.00 O ATOM 977 CB GLU A 75 2.574 5.393 -6.346 1.00 0.00 C ATOM 978 CG GLU A 75 2.913 4.025 -6.961 1.00 0.00 C ATOM 979 CD GLU A 75 3.289 4.077 -8.441 1.00 0.00 C ATOM 980 OE1 GLU A 75 4.479 4.314 -8.753 1.00 0.00 O ATOM 981 OE2 GLU A 75 2.400 3.875 -9.301 1.00 0.00 O ATOM 0 H GLU A 75 3.215 8.153 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 75 4.619 5.879 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.343 5.256 -5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.672 5.778 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.739 3.584 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.056 3.362 -6.839 1.00 0.00 H new ATOM 986 N PRO A 76 4.653 8.101 -8.071 1.00 0.00 N ATOM 987 CA PRO A 76 4.589 9.340 -8.858 1.00 0.00 C ATOM 988 C PRO A 76 4.252 9.148 -10.339 1.00 0.00 C ATOM 989 O PRO A 76 4.744 8.190 -10.974 1.00 0.00 O ATOM 990 CB PRO A 76 5.947 10.022 -8.659 1.00 0.00 C ATOM 991 CG PRO A 76 6.892 8.863 -8.360 1.00 0.00 C ATOM 992 CD PRO A 76 6.005 7.910 -7.561 1.00 0.00 C ATOM 0 HA PRO A 76 3.759 9.952 -8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.254 10.570 -9.550 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.919 10.738 -7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.267 8.399 -9.273 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.761 9.186 -7.786 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.328 6.877 -7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.055 8.131 -6.495 1.00 0.00 H new