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 9 THR OG1 : rot 79:sc= 0.00382 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.00386 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 1.09 K(o=1.1,f=-6.3!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -164:sc= -0.0283 (180deg=-0.47) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 17 MET CE :methyl -165:sc= 0 (180deg=-0.00853) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.282 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 -140: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 52 TYR OH : 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= 1.11 K(o=1.1,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0678 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 71 TYR OH : rot 30:sc= -0.243 USER MOD Single : A 72 THR OG1 : rot 39:sc= 0.0269 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.392 -5.184 -15.068 1.00 0.00 N ATOM 14 CA LEU A 7 -4.829 -4.763 -13.780 1.00 0.00 C ATOM 15 C LEU A 7 -3.301 -4.650 -13.843 1.00 0.00 C ATOM 16 O LEU A 7 -2.668 -5.289 -14.682 1.00 0.00 O ATOM 17 CB LEU A 7 -5.313 -5.706 -12.658 1.00 0.00 C ATOM 18 CG LEU A 7 -4.702 -7.128 -12.611 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.358 -7.879 -11.446 1.00 0.00 C ATOM 20 CD2 LEU A 7 -4.876 -7.964 -13.889 1.00 0.00 C ATOM 0 HA LEU A 7 -5.192 -3.762 -13.547 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.114 -5.222 -11.702 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.395 -5.807 -12.746 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.626 -6.995 -12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.948 -8.887 -11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.159 -7.350 -10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.434 -7.934 -11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.413 -8.941 -13.751 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.938 -8.092 -14.098 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.401 -7.452 -14.726 1.00 0.00 H new ATOM 31 N LYS A 8 -2.711 -3.826 -12.971 1.00 0.00 N ATOM 32 CA LYS A 8 -1.291 -3.434 -13.050 1.00 0.00 C ATOM 33 C LYS A 8 -0.596 -3.497 -11.677 1.00 0.00 C ATOM 34 O LYS A 8 -1.161 -2.993 -10.697 1.00 0.00 O ATOM 35 CB LYS A 8 -1.194 -1.994 -13.597 1.00 0.00 C ATOM 36 CG LYS A 8 -1.881 -1.773 -14.957 1.00 0.00 C ATOM 37 CD LYS A 8 -1.741 -0.330 -15.466 1.00 0.00 C ATOM 38 CE LYS A 8 -2.363 0.687 -14.497 1.00 0.00 C ATOM 39 NZ LYS A 8 -2.432 2.039 -15.086 1.00 0.00 N ATOM 0 H LYS A 8 -3.205 -3.407 -12.183 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.787 -4.137 -13.713 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.634 -1.313 -12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.142 -1.725 -13.689 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.452 -2.456 -15.691 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.939 -2.022 -14.870 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.686 -0.097 -15.608 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.221 -0.242 -16.441 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.366 0.360 -14.222 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.775 0.720 -13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.858 2.695 -14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.473 2.363 -15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.014 2.013 -15.948 1.00 0.00 H new ATOM 49 N THR A 9 0.624 -4.050 -11.603 1.00 0.00 N ATOM 50 CA THR A 9 1.473 -4.034 -10.393 1.00 0.00 C ATOM 51 C THR A 9 2.200 -2.701 -10.222 1.00 0.00 C ATOM 52 O THR A 9 2.364 -1.945 -11.185 1.00 0.00 O ATOM 53 CB THR A 9 2.433 -5.231 -10.359 1.00 0.00 C ATOM 54 OG1 THR A 9 2.885 -5.356 -9.033 1.00 0.00 O ATOM 55 CG2 THR A 9 3.658 -5.098 -11.267 1.00 0.00 C ATOM 0 H THR A 9 1.059 -4.529 -12.392 1.00 0.00 H new ATOM 0 HA THR A 9 0.811 -4.137 -9.533 1.00 0.00 H new ATOM 0 HB THR A 9 1.881 -6.097 -10.723 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.195 -5.794 -8.492 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.277 -5.991 -11.176 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.334 -4.985 -12.301 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.237 -4.223 -10.971 1.00 0.00 H new ATOM 63 N GLN A 10 2.659 -2.419 -9.005 1.00 0.00 N ATOM 64 CA GLN A 10 3.373 -1.209 -8.618 1.00 0.00 C ATOM 65 C GLN A 10 4.102 -1.458 -7.292 1.00 0.00 C ATOM 66 O GLN A 10 3.604 -2.192 -6.432 1.00 0.00 O ATOM 67 CB GLN A 10 2.383 -0.027 -8.514 1.00 0.00 C ATOM 68 CG GLN A 10 3.011 1.319 -8.104 1.00 0.00 C ATOM 69 CD GLN A 10 4.083 1.803 -9.082 1.00 0.00 C ATOM 70 OE1 GLN A 10 5.146 1.208 -9.228 1.00 0.00 O ATOM 71 NE2 GLN A 10 3.843 2.870 -9.806 1.00 0.00 N ATOM 0 H GLN A 10 2.536 -3.063 -8.223 1.00 0.00 H new ATOM 0 HA GLN A 10 4.115 -0.951 -9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.889 0.099 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.609 -0.284 -7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.227 2.072 -8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.451 1.221 -7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.963 3.374 -9.695 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.536 3.195 -10.480 1.00 0.00 H new ATOM 78 N GLN A 11 5.263 -0.817 -7.123 1.00 0.00 N ATOM 79 CA GLN A 11 6.033 -0.800 -5.883 1.00 0.00 C ATOM 80 C GLN A 11 5.924 0.598 -5.255 1.00 0.00 C ATOM 81 O GLN A 11 6.061 1.613 -5.943 1.00 0.00 O ATOM 82 CB GLN A 11 7.491 -1.179 -6.184 1.00 0.00 C ATOM 83 CG GLN A 11 8.239 -1.632 -4.922 1.00 0.00 C ATOM 84 CD GLN A 11 9.750 -1.635 -5.127 1.00 0.00 C ATOM 85 OE1 GLN A 11 10.469 -0.831 -4.544 1.00 0.00 O ATOM 86 NE2 GLN A 11 10.285 -2.498 -5.960 1.00 0.00 N ATOM 0 H GLN A 11 5.703 -0.280 -7.871 1.00 0.00 H new ATOM 0 HA GLN A 11 5.641 -1.528 -5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.512 -1.978 -6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.005 -0.324 -6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.986 -0.971 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.908 -2.633 -4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.693 -3.170 -6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.293 -2.497 -6.118 1.00 0.00 H new ATOM 93 N MET A 12 5.661 0.664 -3.950 1.00 0.00 N ATOM 94 CA MET A 12 5.160 1.858 -3.263 1.00 0.00 C ATOM 95 C MET A 12 5.929 2.095 -1.962 1.00 0.00 C ATOM 96 O MET A 12 6.319 1.147 -1.278 1.00 0.00 O ATOM 97 CB MET A 12 3.657 1.646 -3.025 1.00 0.00 C ATOM 98 CG MET A 12 2.953 2.769 -2.255 1.00 0.00 C ATOM 99 SD MET A 12 1.174 2.507 -2.051 1.00 0.00 S ATOM 100 CE MET A 12 0.623 2.697 -3.767 1.00 0.00 C ATOM 0 H MET A 12 5.793 -0.130 -3.324 1.00 0.00 H new ATOM 0 HA MET A 12 5.310 2.754 -3.866 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.166 1.526 -3.991 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.520 0.712 -2.480 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.412 2.866 -1.271 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.115 3.712 -2.777 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.456 2.849 -3.788 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.119 3.558 -4.215 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.874 1.799 -4.331 1.00 0.00 H new ATOM 108 N GLN A 13 6.134 3.361 -1.606 1.00 0.00 N ATOM 109 CA GLN A 13 6.820 3.748 -0.378 1.00 0.00 C ATOM 110 C GLN A 13 5.817 4.213 0.685 1.00 0.00 C ATOM 111 O GLN A 13 4.717 4.669 0.369 1.00 0.00 O ATOM 112 CB GLN A 13 7.859 4.831 -0.690 1.00 0.00 C ATOM 113 CG GLN A 13 9.038 4.275 -1.497 1.00 0.00 C ATOM 114 CD GLN A 13 10.151 5.294 -1.738 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.036 6.494 -1.478 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.272 4.854 -2.262 1.00 0.00 N ATOM 0 H GLN A 13 5.825 4.154 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 13 7.339 2.882 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.385 5.639 -1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.227 5.261 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.453 3.414 -0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.672 3.916 -2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.378 3.863 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.036 5.503 -2.450 1.00 0.00 H new ATOM 123 N VAL A 14 6.214 4.098 1.952 1.00 0.00 N ATOM 124 CA VAL A 14 5.340 4.206 3.128 1.00 0.00 C ATOM 125 C VAL A 14 6.135 4.736 4.325 1.00 0.00 C ATOM 126 O VAL A 14 6.947 4.029 4.921 1.00 0.00 O ATOM 127 CB VAL A 14 4.615 2.866 3.425 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.498 1.612 3.280 1.00 0.00 C ATOM 129 CG2 VAL A 14 3.908 2.876 4.790 1.00 0.00 C ATOM 0 H VAL A 14 7.187 3.921 2.200 1.00 0.00 H new ATOM 0 HA VAL A 14 4.550 4.927 2.917 1.00 0.00 H new ATOM 0 HB VAL A 14 3.860 2.793 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.908 0.724 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.874 1.548 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.338 1.676 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.416 1.917 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.641 3.045 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.165 3.673 4.809 1.00 0.00 H new ATOM 139 N GLY A 15 5.887 6.003 4.673 1.00 0.00 N ATOM 140 CA GLY A 15 6.634 6.739 5.693 1.00 0.00 C ATOM 141 C GLY A 15 6.272 6.292 7.102 1.00 0.00 C ATOM 142 O GLY A 15 5.245 6.715 7.637 1.00 0.00 O ATOM 0 H GLY A 15 5.145 6.555 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.703 6.598 5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.434 7.805 5.589 1.00 0.00 H new ATOM 146 N GLY A 16 7.127 5.462 7.706 1.00 0.00 N ATOM 147 CA GLY A 16 6.988 4.913 9.061 1.00 0.00 C ATOM 148 C GLY A 16 7.032 3.385 9.142 1.00 0.00 C ATOM 149 O GLY A 16 7.278 2.853 10.226 1.00 0.00 O ATOM 0 H GLY A 16 7.976 5.138 7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.784 5.319 9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.044 5.258 9.483 1.00 0.00 H new ATOM 153 N MET A 17 6.823 2.661 8.033 1.00 0.00 N ATOM 154 CA MET A 17 7.057 1.210 7.981 1.00 0.00 C ATOM 155 C MET A 17 8.524 0.956 7.614 1.00 0.00 C ATOM 156 O MET A 17 8.992 1.512 6.620 1.00 0.00 O ATOM 157 CB MET A 17 6.096 0.572 6.970 1.00 0.00 C ATOM 158 CG MET A 17 6.013 -0.949 7.121 1.00 0.00 C ATOM 159 SD MET A 17 4.983 -1.731 5.854 1.00 0.00 S ATOM 160 CE MET A 17 6.205 -1.881 4.532 1.00 0.00 C ATOM 0 H MET A 17 6.490 3.059 7.155 1.00 0.00 H new ATOM 0 HA MET A 17 6.865 0.754 8.952 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.102 1.001 7.097 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.422 0.816 5.959 1.00 0.00 H new ATOM 0 HG2 MET A 17 7.018 -1.369 7.074 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.613 -1.189 8.106 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.698 -2.092 3.590 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.761 -0.948 4.443 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.894 -2.694 4.764 1.00 0.00 H new ATOM 219 N CYS A 22 4.472 -3.820 12.623 1.00 0.00 N ATOM 220 CA CYS A 22 3.575 -2.694 12.294 1.00 0.00 C ATOM 221 C CYS A 22 2.907 -2.757 10.910 1.00 0.00 C ATOM 222 O CYS A 22 1.771 -2.300 10.753 1.00 0.00 O ATOM 223 CB CYS A 22 4.317 -1.362 12.510 1.00 0.00 C ATOM 224 SG CYS A 22 4.856 -1.219 14.237 1.00 0.00 S ATOM 0 HA CYS A 22 2.734 -2.773 12.983 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.180 -1.306 11.846 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.664 -0.528 12.255 1.00 0.00 H new ATOM 0 HG CYS A 22 5.482 -0.092 14.404 1.00 0.00 H new ATOM 229 N ALA A 23 3.572 -3.371 9.929 1.00 0.00 N ATOM 230 CA ALA A 23 3.088 -3.610 8.572 1.00 0.00 C ATOM 231 C ALA A 23 1.732 -4.346 8.529 1.00 0.00 C ATOM 232 O ALA A 23 0.946 -4.157 7.600 1.00 0.00 O ATOM 233 CB ALA A 23 4.181 -4.404 7.864 1.00 0.00 C ATOM 0 H ALA A 23 4.515 -3.734 10.070 1.00 0.00 H new ATOM 0 HA ALA A 23 2.895 -2.660 8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.873 -4.613 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.104 -3.824 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.348 -5.343 8.391 1.00 0.00 H new ATOM 239 N SER A 24 1.425 -5.127 9.569 1.00 0.00 N ATOM 240 CA SER A 24 0.145 -5.824 9.756 1.00 0.00 C ATOM 241 C SER A 24 -1.074 -4.908 9.592 1.00 0.00 C ATOM 242 O SER A 24 -2.065 -5.309 8.992 1.00 0.00 O ATOM 243 CB SER A 24 0.087 -6.422 11.167 1.00 0.00 C ATOM 244 OG SER A 24 0.889 -7.582 11.273 1.00 0.00 O ATOM 0 H SER A 24 2.082 -5.298 10.331 1.00 0.00 H new ATOM 0 HA SER A 24 0.102 -6.592 8.984 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.422 -5.680 11.892 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.945 -6.668 11.417 1.00 0.00 H new ATOM 0 HG SER A 24 0.831 -7.937 12.184 1.00 0.00 H new ATOM 249 N SER A 25 -1.013 -3.667 10.075 1.00 0.00 N ATOM 250 CA SER A 25 -2.157 -2.742 10.033 1.00 0.00 C ATOM 251 C SER A 25 -2.432 -2.187 8.629 1.00 0.00 C ATOM 252 O SER A 25 -3.506 -1.636 8.376 1.00 0.00 O ATOM 253 CB SER A 25 -1.973 -1.576 11.015 1.00 0.00 C ATOM 254 OG SER A 25 -1.629 -2.017 12.317 1.00 0.00 O ATOM 0 H SER A 25 -0.177 -3.272 10.505 1.00 0.00 H new ATOM 0 HA SER A 25 -3.022 -3.335 10.330 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.195 -0.910 10.642 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.894 -0.995 11.062 1.00 0.00 H new ATOM 0 HG SER A 25 -1.520 -1.242 12.907 1.00 0.00 H new ATOM 259 N ILE A 26 -1.477 -2.359 7.708 1.00 0.00 N ATOM 260 CA ILE A 26 -1.670 -2.203 6.266 1.00 0.00 C ATOM 261 C ILE A 26 -2.122 -3.550 5.680 1.00 0.00 C ATOM 262 O ILE A 26 -3.221 -3.625 5.129 1.00 0.00 O ATOM 263 CB ILE A 26 -0.383 -1.607 5.625 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.359 -0.057 5.663 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.195 -2.005 4.149 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.449 0.590 7.050 1.00 0.00 C ATOM 0 H ILE A 26 -0.522 -2.618 7.955 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.461 -1.489 6.037 1.00 0.00 H new ATOM 0 HB ILE A 26 0.420 -2.024 6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.560 0.283 5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.187 0.313 5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.721 -1.556 3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.127 -3.090 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.045 -1.651 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.423 1.675 6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.381 0.293 7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.393 0.263 7.660 1.00 0.00 H new ATOM 277 N GLU A 27 -1.322 -4.615 5.814 1.00 0.00 N ATOM 278 CA GLU A 27 -1.501 -5.826 4.998 1.00 0.00 C ATOM 279 C GLU A 27 -2.758 -6.615 5.387 1.00 0.00 C ATOM 280 O GLU A 27 -3.492 -7.068 4.504 1.00 0.00 O ATOM 281 CB GLU A 27 -0.255 -6.733 5.044 1.00 0.00 C ATOM 282 CG GLU A 27 -0.243 -7.725 3.862 1.00 0.00 C ATOM 283 CD GLU A 27 0.927 -8.711 3.903 1.00 0.00 C ATOM 284 OE1 GLU A 27 0.948 -9.571 4.817 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.797 -8.670 2.996 1.00 0.00 O ATOM 0 H GLU A 27 -0.548 -4.665 6.476 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.636 -5.484 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.646 -6.120 5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.237 -7.284 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.179 -8.284 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.203 -7.164 2.928 1.00 0.00 H new ATOM 290 N ARG A 28 -3.063 -6.734 6.689 1.00 0.00 N ATOM 291 CA ARG A 28 -4.215 -7.531 7.149 1.00 0.00 C ATOM 292 C ARG A 28 -5.559 -6.936 6.693 1.00 0.00 C ATOM 293 O ARG A 28 -6.552 -7.663 6.617 1.00 0.00 O ATOM 294 CB ARG A 28 -4.173 -7.732 8.676 1.00 0.00 C ATOM 295 CG ARG A 28 -2.919 -8.507 9.124 1.00 0.00 C ATOM 296 CD ARG A 28 -2.887 -8.721 10.642 1.00 0.00 C ATOM 297 NE ARG A 28 -1.597 -9.297 11.068 1.00 0.00 N ATOM 298 CZ ARG A 28 -1.396 -10.409 11.763 1.00 0.00 C ATOM 299 NH1 ARG A 28 -2.367 -11.210 12.140 1.00 0.00 N ATOM 300 NH2 ARG A 28 -0.172 -10.749 12.086 1.00 0.00 N ATOM 0 H ARG A 28 -2.532 -6.292 7.439 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.135 -8.511 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.194 -6.761 9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.065 -8.271 8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.891 -9.474 8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.027 -7.962 8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.051 -7.771 11.150 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.700 -9.384 10.937 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.761 -8.779 10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.333 -10.989 11.899 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.155 -12.053 12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.612 -10.161 11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.004 -11.601 12.620 1.00 0.00 H new ATOM 311 N ALA A 29 -5.590 -5.645 6.337 1.00 0.00 N ATOM 312 CA ALA A 29 -6.725 -4.991 5.680 1.00 0.00 C ATOM 313 C ALA A 29 -6.608 -4.984 4.146 1.00 0.00 C ATOM 314 O ALA A 29 -7.624 -5.112 3.467 1.00 0.00 O ATOM 315 CB ALA A 29 -6.830 -3.561 6.217 1.00 0.00 C ATOM 0 H ALA A 29 -4.807 -5.013 6.503 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.627 -5.559 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.670 -3.054 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.986 -3.588 7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.909 -3.021 5.997 1.00 0.00 H new ATOM 321 N LEU A 30 -5.400 -4.870 3.581 1.00 0.00 N ATOM 322 CA LEU A 30 -5.167 -4.811 2.129 1.00 0.00 C ATOM 323 C LEU A 30 -5.611 -6.086 1.387 1.00 0.00 C ATOM 324 O LEU A 30 -5.971 -6.009 0.216 1.00 0.00 O ATOM 325 CB LEU A 30 -3.678 -4.478 1.900 1.00 0.00 C ATOM 326 CG LEU A 30 -3.261 -4.166 0.447 1.00 0.00 C ATOM 327 CD1 LEU A 30 -4.067 -3.012 -0.168 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.773 -3.786 0.430 1.00 0.00 C ATOM 0 H LEU A 30 -4.541 -4.815 4.128 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.791 -4.027 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.420 -3.620 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.081 -5.319 2.254 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.456 -5.059 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.731 -2.837 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.126 -3.270 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.917 -2.108 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.466 -3.563 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.615 -2.908 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.181 -4.617 0.814 1.00 0.00 H new ATOM 339 N GLU A 31 -5.686 -7.234 2.069 1.00 0.00 N ATOM 340 CA GLU A 31 -6.283 -8.467 1.537 1.00 0.00 C ATOM 341 C GLU A 31 -7.827 -8.450 1.495 1.00 0.00 C ATOM 342 O GLU A 31 -8.439 -9.425 1.041 1.00 0.00 O ATOM 343 CB GLU A 31 -5.764 -9.688 2.312 1.00 0.00 C ATOM 344 CG GLU A 31 -6.022 -9.658 3.826 1.00 0.00 C ATOM 345 CD GLU A 31 -6.011 -11.060 4.430 1.00 0.00 C ATOM 346 OE1 GLU A 31 -5.121 -11.875 4.094 1.00 0.00 O ATOM 347 OE2 GLU A 31 -6.950 -11.388 5.194 1.00 0.00 O ATOM 0 H GLU A 31 -5.329 -7.336 3.019 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.966 -8.536 0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.226 -10.584 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.691 -9.776 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.262 -9.047 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.985 -9.185 4.022 1.00 0.00 H new ATOM 352 N ARG A 32 -8.456 -7.374 1.997 1.00 0.00 N ATOM 353 CA ARG A 32 -9.910 -7.201 2.117 1.00 0.00 C ATOM 354 C ARG A 32 -10.469 -6.015 1.305 1.00 0.00 C ATOM 355 O ARG A 32 -11.625 -6.061 0.883 1.00 0.00 O ATOM 356 CB ARG A 32 -10.326 -7.046 3.594 1.00 0.00 C ATOM 357 CG ARG A 32 -9.739 -8.089 4.558 1.00 0.00 C ATOM 358 CD ARG A 32 -10.039 -9.554 4.185 1.00 0.00 C ATOM 359 NE ARG A 32 -11.446 -9.919 4.405 1.00 0.00 N ATOM 360 CZ ARG A 32 -12.027 -10.134 5.579 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.361 -10.069 6.717 1.00 0.00 N ATOM 362 NH2 ARG A 32 -13.306 -10.422 5.607 1.00 0.00 N ATOM 0 H ARG A 32 -7.940 -6.566 2.345 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.342 -8.109 1.695 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.030 -6.054 3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.413 -7.092 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.658 -7.954 4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.126 -7.897 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.785 -9.717 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.401 -10.213 4.774 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.032 -10.016 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.365 -9.847 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.842 -10.240 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.835 -10.477 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.771 -10.591 6.499 1.00 0.00 H new ATOM 373 N LEU A 33 -9.667 -4.963 1.076 1.00 0.00 N ATOM 374 CA LEU A 33 -10.049 -3.775 0.291 1.00 0.00 C ATOM 375 C LEU A 33 -10.540 -4.119 -1.128 1.00 0.00 C ATOM 376 O LEU A 33 -10.260 -5.188 -1.678 1.00 0.00 O ATOM 377 CB LEU A 33 -8.880 -2.765 0.234 1.00 0.00 C ATOM 378 CG LEU A 33 -8.329 -2.258 1.584 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.224 -1.219 1.353 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.396 -1.645 2.497 1.00 0.00 C ATOM 0 H LEU A 33 -8.715 -4.912 1.438 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.894 -3.319 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.060 -3.226 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.206 -1.901 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.937 -3.140 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.845 -0.871 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.411 -1.672 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.629 -0.375 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.933 -1.312 3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.858 -0.794 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.158 -2.392 2.719 1.00 0.00 H new ATOM 391 N LYS A 34 -11.283 -3.183 -1.722 1.00 0.00 N ATOM 392 CA LYS A 34 -11.851 -3.306 -3.068 1.00 0.00 C ATOM 393 C LYS A 34 -10.781 -3.232 -4.177 1.00 0.00 C ATOM 394 O LYS A 34 -9.744 -2.582 -4.019 1.00 0.00 O ATOM 395 CB LYS A 34 -12.924 -2.217 -3.255 1.00 0.00 C ATOM 396 CG LYS A 34 -14.186 -2.490 -2.421 1.00 0.00 C ATOM 397 CD LYS A 34 -15.295 -1.464 -2.689 1.00 0.00 C ATOM 398 CE LYS A 34 -16.466 -1.715 -1.730 1.00 0.00 C ATOM 399 NZ LYS A 34 -17.581 -0.755 -1.920 1.00 0.00 N ATOM 0 H LYS A 34 -11.512 -2.297 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.303 -4.293 -3.160 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.509 -1.249 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.195 -2.154 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.557 -3.490 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.929 -2.475 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.910 -0.453 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.634 -1.540 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.837 -2.729 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.108 -1.651 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.344 -0.971 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.238 0.213 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.944 -0.833 -2.891 1.00 0.00 H new ATOM 409 N GLY A 35 -11.013 -3.893 -5.319 1.00 0.00 N ATOM 410 CA GLY A 35 -10.258 -3.725 -6.583 1.00 0.00 C ATOM 411 C GLY A 35 -8.822 -4.276 -6.615 1.00 0.00 C ATOM 412 O GLY A 35 -8.360 -4.716 -7.667 1.00 0.00 O ATOM 0 H GLY A 35 -11.757 -4.586 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.823 -4.205 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.218 -2.661 -6.815 1.00 0.00 H new ATOM 416 N VAL A 36 -8.118 -4.269 -5.483 1.00 0.00 N ATOM 417 CA VAL A 36 -6.791 -4.879 -5.299 1.00 0.00 C ATOM 418 C VAL A 36 -6.863 -6.412 -5.395 1.00 0.00 C ATOM 419 O VAL A 36 -7.726 -7.047 -4.790 1.00 0.00 O ATOM 420 CB VAL A 36 -6.127 -4.397 -3.987 1.00 0.00 C ATOM 421 CG1 VAL A 36 -6.943 -4.733 -2.728 1.00 0.00 C ATOM 422 CG2 VAL A 36 -4.689 -4.918 -3.841 1.00 0.00 C ATOM 0 H VAL A 36 -8.465 -3.823 -4.634 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.150 -4.544 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.097 -3.311 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.418 -4.366 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.922 -4.258 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.068 -5.813 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.263 -4.554 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.696 -6.008 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.086 -4.562 -4.677 1.00 0.00 H new ATOM 432 N ALA A 37 -5.950 -6.999 -6.173 1.00 0.00 N ATOM 433 CA ALA A 37 -5.940 -8.420 -6.537 1.00 0.00 C ATOM 434 C ALA A 37 -4.713 -9.201 -6.036 1.00 0.00 C ATOM 435 O ALA A 37 -4.774 -10.433 -5.988 1.00 0.00 O ATOM 436 CB ALA A 37 -5.989 -8.491 -8.064 1.00 0.00 C ATOM 0 H ALA A 37 -5.171 -6.482 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.799 -8.889 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.983 -9.534 -8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.899 -8.008 -8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.120 -7.981 -8.480 1.00 0.00 H new ATOM 442 N GLU A 38 -3.608 -8.529 -5.698 1.00 0.00 N ATOM 443 CA GLU A 38 -2.377 -9.152 -5.195 1.00 0.00 C ATOM 444 C GLU A 38 -1.451 -8.099 -4.575 1.00 0.00 C ATOM 445 O GLU A 38 -1.189 -7.081 -5.210 1.00 0.00 O ATOM 446 CB GLU A 38 -1.673 -9.961 -6.305 1.00 0.00 C ATOM 447 CG GLU A 38 -0.426 -10.687 -5.804 1.00 0.00 C ATOM 448 CD GLU A 38 0.038 -11.765 -6.781 1.00 0.00 C ATOM 449 OE1 GLU A 38 0.480 -11.431 -7.906 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.001 -12.962 -6.415 1.00 0.00 O ATOM 0 H GLU A 38 -3.542 -7.514 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.643 -9.856 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.372 -10.689 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.396 -9.290 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.377 -9.966 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.635 -11.141 -4.835 1.00 0.00 H new ATOM 455 N ALA A 39 -0.923 -8.327 -3.370 1.00 0.00 N ATOM 456 CA ALA A 39 -0.109 -7.344 -2.645 1.00 0.00 C ATOM 457 C ALA A 39 0.793 -7.956 -1.558 1.00 0.00 C ATOM 458 O ALA A 39 0.553 -9.056 -1.057 1.00 0.00 O ATOM 459 CB ALA A 39 -1.042 -6.281 -2.048 1.00 0.00 C ATOM 0 H ALA A 39 -1.048 -9.204 -2.865 1.00 0.00 H new ATOM 0 HA ALA A 39 0.579 -6.897 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.452 -5.542 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.592 -5.788 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.745 -6.757 -1.364 1.00 0.00 H new ATOM 465 N SER A 40 1.822 -7.215 -1.141 1.00 0.00 N ATOM 466 CA SER A 40 2.719 -7.632 -0.056 1.00 0.00 C ATOM 467 C SER A 40 3.490 -6.475 0.595 1.00 0.00 C ATOM 468 O SER A 40 4.031 -5.610 -0.101 1.00 0.00 O ATOM 469 CB SER A 40 3.713 -8.689 -0.553 1.00 0.00 C ATOM 470 OG SER A 40 4.445 -9.221 0.538 1.00 0.00 O ATOM 0 H SER A 40 2.059 -6.309 -1.545 1.00 0.00 H new ATOM 0 HA SER A 40 2.070 -8.051 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.179 -9.488 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.396 -8.245 -1.277 1.00 0.00 H new ATOM 0 HG SER A 40 5.076 -9.896 0.211 1.00 0.00 H new ATOM 475 N VAL A 41 3.591 -6.493 1.930 1.00 0.00 N ATOM 476 CA VAL A 41 4.495 -5.612 2.701 1.00 0.00 C ATOM 477 C VAL A 41 5.899 -6.214 2.827 1.00 0.00 C ATOM 478 O VAL A 41 6.048 -7.432 2.934 1.00 0.00 O ATOM 479 CB VAL A 41 3.957 -5.283 4.115 1.00 0.00 C ATOM 480 CG1 VAL A 41 2.671 -4.448 4.010 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.751 -6.537 4.988 1.00 0.00 C ATOM 0 H VAL A 41 3.045 -7.124 2.517 1.00 0.00 H new ATOM 0 HA VAL A 41 4.546 -4.683 2.133 1.00 0.00 H new ATOM 0 HB VAL A 41 4.719 -4.692 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.301 -4.222 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.883 -3.518 3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.915 -5.011 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.373 -6.241 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.033 -7.201 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.702 -7.057 5.108 1.00 0.00 H new ATOM 491 N THR A 42 6.918 -5.347 2.855 1.00 0.00 N ATOM 492 CA THR A 42 8.328 -5.698 3.068 1.00 0.00 C ATOM 493 C THR A 42 8.889 -4.800 4.164 1.00 0.00 C ATOM 494 O THR A 42 9.264 -3.658 3.904 1.00 0.00 O ATOM 495 CB THR A 42 9.121 -5.524 1.768 1.00 0.00 C ATOM 496 OG1 THR A 42 8.479 -6.232 0.733 1.00 0.00 O ATOM 497 CG2 THR A 42 10.551 -6.043 1.896 1.00 0.00 C ATOM 0 H THR A 42 6.779 -4.345 2.725 1.00 0.00 H new ATOM 0 HA THR A 42 8.411 -6.742 3.372 1.00 0.00 H new ATOM 0 HB THR A 42 9.162 -4.457 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.151 -6.668 0.169 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.076 -5.900 0.952 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.067 -5.496 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.532 -7.104 2.143 1.00 0.00 H new ATOM 505 N VAL A 43 8.938 -5.306 5.393 1.00 0.00 N ATOM 506 CA VAL A 43 9.406 -4.560 6.577 1.00 0.00 C ATOM 507 C VAL A 43 10.909 -4.248 6.494 1.00 0.00 C ATOM 508 O VAL A 43 11.316 -3.152 6.873 1.00 0.00 O ATOM 509 CB VAL A 43 9.091 -5.334 7.881 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.782 -4.766 9.134 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.578 -5.291 8.137 1.00 0.00 C ATOM 0 H VAL A 43 8.651 -6.261 5.607 1.00 0.00 H new ATOM 0 HA VAL A 43 8.866 -3.613 6.594 1.00 0.00 H new ATOM 0 HB VAL A 43 9.467 -6.345 7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.509 -5.365 10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.863 -4.795 8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.464 -3.735 9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.349 -5.834 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.255 -4.255 8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.054 -5.754 7.301 1.00 0.00 H new ATOM 521 N ALA A 44 11.743 -5.171 5.988 1.00 0.00 N ATOM 522 CA ALA A 44 13.208 -5.039 6.049 1.00 0.00 C ATOM 523 C ALA A 44 13.788 -3.885 5.202 1.00 0.00 C ATOM 524 O ALA A 44 14.877 -3.386 5.505 1.00 0.00 O ATOM 525 CB ALA A 44 13.825 -6.378 5.639 1.00 0.00 C ATOM 0 H ALA A 44 11.424 -6.024 5.528 1.00 0.00 H new ATOM 0 HA ALA A 44 13.467 -4.779 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.912 -6.305 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.490 -7.158 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.513 -6.627 4.625 1.00 0.00 H new ATOM 531 N THR A 45 13.054 -3.444 4.172 1.00 0.00 N ATOM 532 CA THR A 45 13.364 -2.279 3.320 1.00 0.00 C ATOM 533 C THR A 45 12.266 -1.210 3.361 1.00 0.00 C ATOM 534 O THR A 45 12.376 -0.194 2.670 1.00 0.00 O ATOM 535 CB THR A 45 13.663 -2.738 1.882 1.00 0.00 C ATOM 536 OG1 THR A 45 12.657 -3.613 1.431 1.00 0.00 O ATOM 537 CG2 THR A 45 14.998 -3.482 1.810 1.00 0.00 C ATOM 0 H THR A 45 12.189 -3.907 3.894 1.00 0.00 H new ATOM 0 HA THR A 45 14.258 -1.803 3.724 1.00 0.00 H new ATOM 0 HB THR A 45 13.703 -1.846 1.257 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.857 -3.897 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.185 -3.795 0.783 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.800 -2.822 2.140 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.961 -4.359 2.456 1.00 0.00 H new ATOM 545 N GLY A 46 11.228 -1.404 4.187 1.00 0.00 N ATOM 546 CA GLY A 46 10.148 -0.450 4.442 1.00 0.00 C ATOM 547 C GLY A 46 9.331 -0.076 3.207 1.00 0.00 C ATOM 548 O GLY A 46 9.100 1.111 2.988 1.00 0.00 O ATOM 0 H GLY A 46 11.117 -2.269 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.478 -0.870 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.575 0.458 4.869 1.00 0.00 H new ATOM 552 N ARG A 47 8.904 -1.048 2.390 1.00 0.00 N ATOM 553 CA ARG A 47 8.180 -0.792 1.128 1.00 0.00 C ATOM 554 C ARG A 47 7.039 -1.781 0.854 1.00 0.00 C ATOM 555 O ARG A 47 6.943 -2.837 1.476 1.00 0.00 O ATOM 556 CB ARG A 47 9.168 -0.659 -0.052 1.00 0.00 C ATOM 557 CG ARG A 47 10.091 -1.857 -0.344 1.00 0.00 C ATOM 558 CD ARG A 47 9.442 -3.024 -1.104 1.00 0.00 C ATOM 559 NE ARG A 47 10.470 -3.998 -1.507 1.00 0.00 N ATOM 560 CZ ARG A 47 10.286 -5.203 -2.035 1.00 0.00 C ATOM 561 NH1 ARG A 47 9.102 -5.705 -2.307 1.00 0.00 N ATOM 562 NH2 ARG A 47 11.325 -5.954 -2.307 1.00 0.00 N ATOM 0 H ARG A 47 9.049 -2.039 2.582 1.00 0.00 H new ATOM 0 HA ARG A 47 7.674 0.167 1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.590 -0.452 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.796 0.213 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.946 -1.502 -0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.478 -2.234 0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.697 -3.509 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.920 -2.649 -1.984 1.00 0.00 H new ATOM 0 HE ARG A 47 11.439 -3.714 -1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.261 -5.162 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.024 -6.638 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.266 -5.612 -2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.192 -6.880 -2.713 1.00 0.00 H new ATOM 573 N LEU A 48 6.165 -1.409 -0.079 1.00 0.00 N ATOM 574 CA LEU A 48 4.965 -2.132 -0.508 1.00 0.00 C ATOM 575 C LEU A 48 5.076 -2.584 -1.970 1.00 0.00 C ATOM 576 O LEU A 48 5.802 -1.989 -2.768 1.00 0.00 O ATOM 577 CB LEU A 48 3.753 -1.185 -0.355 1.00 0.00 C ATOM 578 CG LEU A 48 2.919 -1.394 0.919 1.00 0.00 C ATOM 579 CD1 LEU A 48 1.975 -0.195 1.055 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.091 -2.686 0.835 1.00 0.00 C ATOM 0 H LEU A 48 6.283 -0.535 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 48 4.847 -3.023 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.112 -0.156 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.103 -1.310 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 48 3.582 -1.478 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.366 -0.311 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.560 0.722 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.326 -0.142 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.512 -2.807 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.415 -2.630 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.759 -3.539 0.713 1.00 0.00 H new ATOM 591 N THR A 49 4.268 -3.588 -2.319 1.00 0.00 N ATOM 592 CA THR A 49 4.012 -4.091 -3.681 1.00 0.00 C ATOM 593 C THR A 49 2.508 -4.292 -3.781 1.00 0.00 C ATOM 594 O THR A 49 1.932 -4.857 -2.853 1.00 0.00 O ATOM 595 CB THR A 49 4.730 -5.427 -3.925 1.00 0.00 C ATOM 596 OG1 THR A 49 6.083 -5.335 -3.548 1.00 0.00 O ATOM 597 CG2 THR A 49 4.706 -5.815 -5.405 1.00 0.00 C ATOM 0 H THR A 49 3.740 -4.107 -1.618 1.00 0.00 H new ATOM 0 HA THR A 49 4.383 -3.387 -4.426 1.00 0.00 H new ATOM 0 HB THR A 49 4.205 -6.175 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.526 -6.194 -3.708 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.223 -6.765 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.673 -5.913 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.205 -5.044 -5.992 1.00 0.00 H new ATOM 605 N VAL A 50 1.874 -3.823 -4.857 1.00 0.00 N ATOM 606 CA VAL A 50 0.403 -3.827 -4.988 1.00 0.00 C ATOM 607 C VAL A 50 -0.065 -3.887 -6.450 1.00 0.00 C ATOM 608 O VAL A 50 0.406 -3.123 -7.290 1.00 0.00 O ATOM 609 CB VAL A 50 -0.225 -2.630 -4.225 1.00 0.00 C ATOM 610 CG1 VAL A 50 0.163 -1.249 -4.786 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.755 -2.748 -4.161 1.00 0.00 C ATOM 0 H VAL A 50 2.358 -3.429 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 50 0.044 -4.746 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 50 0.194 -2.690 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.318 -0.469 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.245 -1.127 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.163 -1.173 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.163 -1.894 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.161 -2.765 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.028 -3.669 -3.645 1.00 0.00 H new ATOM 621 N THR A 51 -1.015 -4.790 -6.730 1.00 0.00 N ATOM 622 CA THR A 51 -1.642 -5.046 -8.035 1.00 0.00 C ATOM 623 C THR A 51 -3.136 -4.784 -7.928 1.00 0.00 C ATOM 624 O THR A 51 -3.816 -5.464 -7.164 1.00 0.00 O ATOM 625 CB THR A 51 -1.388 -6.498 -8.477 1.00 0.00 C ATOM 626 OG1 THR A 51 0.004 -6.693 -8.560 1.00 0.00 O ATOM 627 CG2 THR A 51 -1.968 -6.787 -9.867 1.00 0.00 C ATOM 0 H THR A 51 -1.390 -5.401 -6.004 1.00 0.00 H new ATOM 0 HA THR A 51 -1.207 -4.381 -8.781 1.00 0.00 H new ATOM 0 HB THR A 51 -1.864 -7.158 -7.752 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.189 -7.614 -8.839 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.765 -7.823 -10.138 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.045 -6.620 -9.854 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.507 -6.124 -10.599 1.00 0.00 H new ATOM 635 N TYR A 52 -3.655 -3.834 -8.708 1.00 0.00 N ATOM 636 CA TYR A 52 -5.067 -3.407 -8.670 1.00 0.00 C ATOM 637 C TYR A 52 -5.590 -2.944 -10.044 1.00 0.00 C ATOM 638 O TYR A 52 -4.809 -2.480 -10.887 1.00 0.00 O ATOM 639 CB TYR A 52 -5.258 -2.320 -7.591 1.00 0.00 C ATOM 640 CG TYR A 52 -4.670 -0.949 -7.897 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.433 -0.006 -8.609 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.382 -0.594 -7.444 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.922 1.274 -8.889 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.868 0.696 -7.700 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.633 1.631 -8.437 1.00 0.00 C ATOM 646 OH TYR A 52 -3.126 2.859 -8.734 1.00 0.00 O ATOM 0 H TYR A 52 -3.101 -3.327 -9.398 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.668 -4.277 -8.405 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.327 -2.201 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.817 -2.681 -6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.425 -0.269 -8.945 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.787 -1.312 -6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.515 1.983 -9.449 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.890 0.969 -7.333 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.230 2.945 -8.348 1.00 0.00 H new ATOM 655 N ASP A 53 -6.904 -3.058 -10.285 1.00 0.00 N ATOM 656 CA ASP A 53 -7.527 -2.603 -11.532 1.00 0.00 C ATOM 657 C ASP A 53 -7.800 -1.086 -11.491 1.00 0.00 C ATOM 658 O ASP A 53 -8.301 -0.583 -10.479 1.00 0.00 O ATOM 659 CB ASP A 53 -8.784 -3.421 -11.878 1.00 0.00 C ATOM 660 CG ASP A 53 -10.059 -2.990 -11.156 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.713 -2.040 -11.650 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.427 -3.649 -10.156 1.00 0.00 O ATOM 0 H ASP A 53 -7.562 -3.467 -9.621 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.820 -2.780 -12.343 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.955 -3.358 -12.953 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.591 -4.469 -11.647 1.00 0.00 H new ATOM 666 N PRO A 54 -7.480 -0.341 -12.566 1.00 0.00 N ATOM 667 CA PRO A 54 -7.518 1.118 -12.566 1.00 0.00 C ATOM 668 C PRO A 54 -8.940 1.691 -12.679 1.00 0.00 C ATOM 669 O PRO A 54 -9.072 2.886 -12.930 1.00 0.00 O ATOM 670 CB PRO A 54 -6.635 1.524 -13.756 1.00 0.00 C ATOM 671 CG PRO A 54 -6.832 0.381 -14.744 1.00 0.00 C ATOM 672 CD PRO A 54 -6.954 -0.835 -13.832 1.00 0.00 C ATOM 0 HA PRO A 54 -7.156 1.522 -11.621 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.945 2.480 -14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.590 1.628 -13.464 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.725 0.522 -15.353 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.990 0.289 -15.430 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.619 -1.582 -14.265 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.985 -1.315 -13.691 1.00 0.00 H new ATOM 677 N LYS A 55 -10.002 0.881 -12.546 1.00 0.00 N ATOM 678 CA LYS A 55 -11.361 1.290 -12.943 1.00 0.00 C ATOM 679 C LYS A 55 -12.390 1.181 -11.811 1.00 0.00 C ATOM 680 O LYS A 55 -13.252 2.055 -11.689 1.00 0.00 O ATOM 681 CB LYS A 55 -11.820 0.493 -14.173 1.00 0.00 C ATOM 682 CG LYS A 55 -10.885 0.636 -15.390 1.00 0.00 C ATOM 683 CD LYS A 55 -11.616 0.365 -16.714 1.00 0.00 C ATOM 684 CE LYS A 55 -12.518 1.552 -17.084 1.00 0.00 C ATOM 685 NZ LYS A 55 -13.381 1.256 -18.250 1.00 0.00 N ATOM 0 H LYS A 55 -9.947 -0.064 -12.166 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.303 2.349 -13.195 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.894 -0.561 -13.905 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.821 0.821 -14.455 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.464 1.641 -15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.050 -0.057 -15.289 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.890 0.191 -17.508 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.215 -0.541 -16.626 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.142 1.812 -16.229 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.899 2.422 -17.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.972 2.085 -18.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.787 1.033 -19.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.991 0.442 -18.033 1.00 0.00 H new ATOM 695 N GLN A 56 -12.271 0.173 -10.945 1.00 0.00 N ATOM 696 CA GLN A 56 -13.030 0.071 -9.696 1.00 0.00 C ATOM 697 C GLN A 56 -12.460 0.978 -8.595 1.00 0.00 C ATOM 698 O GLN A 56 -13.213 1.402 -7.717 1.00 0.00 O ATOM 699 CB GLN A 56 -13.013 -1.385 -9.206 1.00 0.00 C ATOM 700 CG GLN A 56 -13.782 -2.346 -10.126 1.00 0.00 C ATOM 701 CD GLN A 56 -14.013 -3.684 -9.432 1.00 0.00 C ATOM 702 OE1 GLN A 56 -15.118 -3.995 -8.991 1.00 0.00 O ATOM 703 NE2 GLN A 56 -12.981 -4.479 -9.252 1.00 0.00 N ATOM 0 H GLN A 56 -11.634 -0.609 -11.094 1.00 0.00 H new ATOM 0 HA GLN A 56 -14.049 0.397 -9.903 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.979 -1.721 -9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.443 -1.429 -8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.739 -1.904 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.222 -2.501 -11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.066 -4.218 -9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.096 -5.357 -8.745 1.00 0.00 H new ATOM 710 N VAL A 57 -11.152 1.270 -8.629 1.00 0.00 N ATOM 711 CA VAL A 57 -10.442 2.060 -7.602 1.00 0.00 C ATOM 712 C VAL A 57 -9.299 2.878 -8.226 1.00 0.00 C ATOM 713 O VAL A 57 -9.074 2.832 -9.438 1.00 0.00 O ATOM 714 CB VAL A 57 -9.901 1.171 -6.441 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.006 0.412 -5.686 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.843 0.156 -6.915 1.00 0.00 C ATOM 0 H VAL A 57 -10.542 0.959 -9.385 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.173 2.747 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.439 1.881 -5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.559 -0.186 -4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.706 1.126 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.537 -0.242 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.501 -0.436 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.281 -0.503 -7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.997 0.688 -7.350 1.00 0.00 H new ATOM 726 N SER A 58 -8.556 3.610 -7.397 1.00 0.00 N ATOM 727 CA SER A 58 -7.273 4.236 -7.723 1.00 0.00 C ATOM 728 C SER A 58 -6.286 4.088 -6.544 1.00 0.00 C ATOM 729 O SER A 58 -6.538 3.321 -5.609 1.00 0.00 O ATOM 730 CB SER A 58 -7.507 5.714 -8.080 1.00 0.00 C ATOM 731 OG SER A 58 -7.836 6.495 -6.940 1.00 0.00 O ATOM 0 H SER A 58 -8.844 3.792 -6.436 1.00 0.00 H new ATOM 0 HA SER A 58 -6.828 3.737 -8.584 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.611 6.119 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.311 5.786 -8.812 1.00 0.00 H new ATOM 0 HG SER A 58 -7.975 7.427 -7.211 1.00 0.00 H new ATOM 736 N GLU A 59 -5.198 4.869 -6.526 1.00 0.00 N ATOM 737 CA GLU A 59 -4.296 5.004 -5.374 1.00 0.00 C ATOM 738 C GLU A 59 -5.045 5.325 -4.066 1.00 0.00 C ATOM 739 O GLU A 59 -4.578 4.982 -2.983 1.00 0.00 O ATOM 740 CB GLU A 59 -3.266 6.127 -5.613 1.00 0.00 C ATOM 741 CG GLU A 59 -2.397 5.997 -6.876 1.00 0.00 C ATOM 742 CD GLU A 59 -2.992 6.736 -8.077 1.00 0.00 C ATOM 743 OE1 GLU A 59 -4.025 6.290 -8.624 1.00 0.00 O ATOM 744 OE2 GLU A 59 -2.459 7.800 -8.465 1.00 0.00 O ATOM 0 H GLU A 59 -4.915 5.435 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.802 4.038 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.800 7.076 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.606 6.176 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.401 6.389 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.279 4.942 -7.125 1.00 0.00 H new ATOM 749 N ILE A 60 -6.219 5.963 -4.151 1.00 0.00 N ATOM 750 CA ILE A 60 -7.047 6.396 -3.016 1.00 0.00 C ATOM 751 C ILE A 60 -7.326 5.272 -2.012 1.00 0.00 C ATOM 752 O ILE A 60 -7.149 5.489 -0.810 1.00 0.00 O ATOM 753 CB ILE A 60 -8.338 7.042 -3.578 1.00 0.00 C ATOM 754 CG1 ILE A 60 -8.082 8.466 -4.120 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.523 7.003 -2.601 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.557 9.484 -3.099 1.00 0.00 C ATOM 0 H ILE A 60 -6.636 6.202 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.499 7.137 -2.434 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.634 6.418 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.366 8.399 -4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.013 8.848 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.391 7.473 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.759 5.967 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.261 7.541 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.413 10.448 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.278 9.592 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.606 9.137 -2.695 1.00 0.00 H new ATOM 767 N THR A 61 -7.713 4.081 -2.488 1.00 0.00 N ATOM 768 CA THR A 61 -8.100 2.943 -1.631 1.00 0.00 C ATOM 769 C THR A 61 -6.978 2.540 -0.681 1.00 0.00 C ATOM 770 O THR A 61 -7.238 2.275 0.492 1.00 0.00 O ATOM 771 CB THR A 61 -8.556 1.780 -2.517 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.737 2.186 -3.159 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.864 0.488 -1.764 1.00 0.00 C ATOM 0 H THR A 61 -7.768 3.875 -3.485 1.00 0.00 H new ATOM 0 HA THR A 61 -8.932 3.243 -0.994 1.00 0.00 H new ATOM 0 HB THR A 61 -7.733 1.557 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.368 1.437 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.179 -0.279 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.971 0.152 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.663 0.668 -1.044 1.00 0.00 H new ATOM 781 N ILE A 62 -5.728 2.541 -1.150 1.00 0.00 N ATOM 782 CA ILE A 62 -4.550 2.229 -0.321 1.00 0.00 C ATOM 783 C ILE A 62 -3.977 3.472 0.382 1.00 0.00 C ATOM 784 O ILE A 62 -3.545 3.364 1.530 1.00 0.00 O ATOM 785 CB ILE A 62 -3.538 1.404 -1.154 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.499 0.748 -0.223 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.897 2.216 -2.291 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.514 -0.189 -0.932 1.00 0.00 C ATOM 0 H ILE A 62 -5.498 2.759 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.845 1.596 0.516 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.086 0.608 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.936 1.532 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.025 0.186 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.197 1.585 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.674 2.570 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.364 3.070 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.820 -0.606 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.064 -0.998 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.958 0.370 -1.684 1.00 0.00 H new ATOM 799 N GLN A 63 -4.071 4.663 -0.223 1.00 0.00 N ATOM 800 CA GLN A 63 -3.697 5.942 0.394 1.00 0.00 C ATOM 801 C GLN A 63 -4.448 6.169 1.713 1.00 0.00 C ATOM 802 O GLN A 63 -3.823 6.544 2.704 1.00 0.00 O ATOM 803 CB GLN A 63 -4.014 7.094 -0.579 1.00 0.00 C ATOM 804 CG GLN A 63 -3.392 8.438 -0.165 1.00 0.00 C ATOM 805 CD GLN A 63 -4.199 9.606 -0.724 1.00 0.00 C ATOM 806 OE1 GLN A 63 -3.970 10.102 -1.824 1.00 0.00 O ATOM 807 NE2 GLN A 63 -5.200 10.057 -0.003 1.00 0.00 N ATOM 0 H GLN A 63 -4.417 4.766 -1.177 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.629 5.914 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.655 6.828 -1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.095 7.210 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.352 8.505 0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.365 8.495 -0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.395 9.649 0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.783 10.815 -0.357 1.00 0.00 H new ATOM 814 N GLU A 64 -5.763 5.922 1.736 1.00 0.00 N ATOM 815 CA GLU A 64 -6.614 6.079 2.922 1.00 0.00 C ATOM 816 C GLU A 64 -6.234 5.122 4.063 1.00 0.00 C ATOM 817 O GLU A 64 -6.300 5.503 5.236 1.00 0.00 O ATOM 818 CB GLU A 64 -8.083 5.852 2.525 1.00 0.00 C ATOM 819 CG GLU A 64 -8.711 7.053 1.805 1.00 0.00 C ATOM 820 CD GLU A 64 -8.972 8.237 2.739 1.00 0.00 C ATOM 821 OE1 GLU A 64 -9.485 8.052 3.874 1.00 0.00 O ATOM 822 OE2 GLU A 64 -8.664 9.385 2.348 1.00 0.00 O ATOM 0 H GLU A 64 -6.276 5.601 0.915 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.466 7.092 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.146 4.976 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.664 5.630 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.052 7.372 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.650 6.745 1.346 1.00 0.00 H new ATOM 827 N ARG A 65 -5.821 3.894 3.723 1.00 0.00 N ATOM 828 CA ARG A 65 -5.334 2.876 4.662 1.00 0.00 C ATOM 829 C ARG A 65 -3.945 3.233 5.200 1.00 0.00 C ATOM 830 O ARG A 65 -3.696 3.060 6.388 1.00 0.00 O ATOM 831 CB ARG A 65 -5.355 1.512 3.942 1.00 0.00 C ATOM 832 CG ARG A 65 -4.642 0.339 4.636 1.00 0.00 C ATOM 833 CD ARG A 65 -5.004 0.050 6.098 1.00 0.00 C ATOM 834 NE ARG A 65 -6.447 0.048 6.369 1.00 0.00 N ATOM 835 CZ ARG A 65 -7.013 -0.393 7.484 1.00 0.00 C ATOM 836 NH1 ARG A 65 -6.333 -0.968 8.454 1.00 0.00 N ATOM 837 NH2 ARG A 65 -8.306 -0.249 7.641 1.00 0.00 N ATOM 0 H ARG A 65 -5.817 3.572 2.755 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.984 2.827 5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.396 1.229 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.908 1.643 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.839 -0.563 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.569 0.522 4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.591 -0.919 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.527 0.796 6.734 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.062 0.415 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.324 -1.091 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.815 -1.291 9.293 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.862 0.197 6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.757 -0.583 8.493 1.00 0.00 H new ATOM 848 N ILE A 66 -3.043 3.742 4.363 1.00 0.00 N ATOM 849 CA ILE A 66 -1.701 4.165 4.800 1.00 0.00 C ATOM 850 C ILE A 66 -1.790 5.425 5.678 1.00 0.00 C ATOM 851 O ILE A 66 -1.232 5.442 6.772 1.00 0.00 O ATOM 852 CB ILE A 66 -0.785 4.308 3.560 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.535 2.918 2.920 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.574 4.922 3.927 1.00 0.00 C ATOM 855 CD1 ILE A 66 -0.054 3.008 1.470 1.00 0.00 C ATOM 0 H ILE A 66 -3.214 3.875 3.366 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.244 3.409 5.438 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.294 4.968 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.206 2.380 3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.456 2.336 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.189 5.006 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.422 5.912 4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.077 4.284 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.104 2.004 1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.805 3.520 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.883 3.564 1.431 1.00 0.00 H new ATOM 866 N ALA A 67 -2.549 6.442 5.260 1.00 0.00 N ATOM 867 CA ALA A 67 -2.663 7.711 5.981 1.00 0.00 C ATOM 868 C ALA A 67 -3.293 7.538 7.372 1.00 0.00 C ATOM 869 O ALA A 67 -2.699 7.938 8.373 1.00 0.00 O ATOM 870 CB ALA A 67 -3.463 8.702 5.125 1.00 0.00 C ATOM 0 H ALA A 67 -3.105 6.407 4.406 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.660 8.103 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.553 9.650 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.948 8.863 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.457 8.298 4.934 1.00 0.00 H new ATOM 876 N ALA A 68 -4.485 6.932 7.456 1.00 0.00 N ATOM 877 CA ALA A 68 -5.263 6.897 8.698 1.00 0.00 C ATOM 878 C ALA A 68 -4.569 6.110 9.820 1.00 0.00 C ATOM 879 O ALA A 68 -4.732 6.450 10.997 1.00 0.00 O ATOM 880 CB ALA A 68 -6.649 6.317 8.391 1.00 0.00 C ATOM 0 H ALA A 68 -4.932 6.457 6.672 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.356 7.917 9.071 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.241 6.284 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.152 6.946 7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.541 5.308 7.992 1.00 0.00 H new ATOM 886 N LEU A 69 -3.787 5.084 9.465 1.00 0.00 N ATOM 887 CA LEU A 69 -3.048 4.241 10.408 1.00 0.00 C ATOM 888 C LEU A 69 -1.724 4.876 10.884 1.00 0.00 C ATOM 889 O LEU A 69 -1.062 4.295 11.745 1.00 0.00 O ATOM 890 CB LEU A 69 -2.873 2.840 9.782 1.00 0.00 C ATOM 891 CG LEU A 69 -4.098 1.896 9.889 1.00 0.00 C ATOM 892 CD1 LEU A 69 -4.342 1.473 11.344 1.00 0.00 C ATOM 893 CD2 LEU A 69 -5.419 2.459 9.333 1.00 0.00 C ATOM 0 H LEU A 69 -3.648 4.812 8.492 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.627 4.142 11.326 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.623 2.962 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.021 2.354 10.257 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.823 1.049 9.261 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.207 0.811 11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.464 0.950 11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.529 2.357 11.954 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.210 1.720 9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.683 3.368 9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.300 2.689 8.274 1.00 0.00 H new ATOM 904 N GLY A 70 -1.365 6.076 10.404 1.00 0.00 N ATOM 905 CA GLY A 70 -0.269 6.894 10.950 1.00 0.00 C ATOM 906 C GLY A 70 0.973 6.992 10.066 1.00 0.00 C ATOM 907 O GLY A 70 2.058 7.243 10.592 1.00 0.00 O ATOM 0 H GLY A 70 -1.836 6.514 9.612 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.645 7.901 11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.024 6.482 11.916 1.00 0.00 H new ATOM 911 N TYR A 71 0.835 6.785 8.755 1.00 0.00 N ATOM 912 CA TYR A 71 1.927 6.792 7.772 1.00 0.00 C ATOM 913 C TYR A 71 1.661 7.803 6.631 1.00 0.00 C ATOM 914 O TYR A 71 0.699 8.575 6.703 1.00 0.00 O ATOM 915 CB TYR A 71 2.098 5.360 7.230 1.00 0.00 C ATOM 916 CG TYR A 71 2.221 4.266 8.275 1.00 0.00 C ATOM 917 CD1 TYR A 71 1.069 3.684 8.842 1.00 0.00 C ATOM 918 CD2 TYR A 71 3.493 3.835 8.686 1.00 0.00 C ATOM 919 CE1 TYR A 71 1.187 2.711 9.855 1.00 0.00 C ATOM 920 CE2 TYR A 71 3.619 2.858 9.690 1.00 0.00 C ATOM 921 CZ TYR A 71 2.468 2.309 10.288 1.00 0.00 C ATOM 922 OH TYR A 71 2.613 1.414 11.297 1.00 0.00 O ATOM 0 H TYR A 71 -0.074 6.601 8.330 1.00 0.00 H new ATOM 0 HA TYR A 71 2.850 7.114 8.254 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.246 5.130 6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.987 5.335 6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.091 3.985 8.498 1.00 0.00 H new ATOM 0 HD2 TYR A 71 4.377 4.255 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 71 0.303 2.276 10.297 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.599 2.529 10.003 1.00 0.00 H new ATOM 0 HH TYR A 71 1.847 0.803 11.305 1.00 0.00 H new ATOM 931 N THR A 72 2.492 7.804 5.574 1.00 0.00 N ATOM 932 CA THR A 72 2.301 8.600 4.344 1.00 0.00 C ATOM 933 C THR A 72 2.738 7.817 3.103 1.00 0.00 C ATOM 934 O THR A 72 3.858 7.313 3.048 1.00 0.00 O ATOM 935 CB THR A 72 3.046 9.948 4.406 1.00 0.00 C ATOM 936 OG1 THR A 72 4.396 9.765 4.788 1.00 0.00 O ATOM 937 CG2 THR A 72 2.413 10.916 5.402 1.00 0.00 C ATOM 0 H THR A 72 3.339 7.236 5.549 1.00 0.00 H new ATOM 0 HA THR A 72 1.234 8.809 4.270 1.00 0.00 H new ATOM 0 HB THR A 72 2.982 10.368 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.747 8.952 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.974 11.850 5.408 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.381 11.114 5.111 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.431 10.475 6.399 1.00 0.00 H new ATOM 945 N LEU A 73 1.857 7.719 2.102 1.00 0.00 N ATOM 946 CA LEU A 73 2.111 7.080 0.801 1.00 0.00 C ATOM 947 C LEU A 73 3.039 7.927 -0.081 1.00 0.00 C ATOM 948 O LEU A 73 2.865 9.147 -0.180 1.00 0.00 O ATOM 949 CB LEU A 73 0.738 6.818 0.130 1.00 0.00 C ATOM 950 CG LEU A 73 0.727 6.350 -1.349 1.00 0.00 C ATOM 951 CD1 LEU A 73 -0.550 5.547 -1.635 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.719 7.520 -2.353 1.00 0.00 C ATOM 0 H LEU A 73 0.912 8.096 2.176 1.00 0.00 H new ATOM 0 HA LEU A 73 2.636 6.135 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.215 6.067 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.155 7.737 0.194 1.00 0.00 H new ATOM 0 HG LEU A 73 1.636 5.761 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.550 5.222 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.585 4.675 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.423 6.173 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.711 7.127 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.170 8.130 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.610 8.131 -2.207 1.00 0.00 H new ATOM 963 N ALA A 74 3.931 7.265 -0.824 1.00 0.00 N ATOM 964 CA ALA A 74 4.486 7.786 -2.077 1.00 0.00 C ATOM 965 C ALA A 74 4.427 6.718 -3.187 1.00 0.00 C ATOM 966 O ALA A 74 4.754 5.552 -2.954 1.00 0.00 O ATOM 967 CB ALA A 74 5.903 8.318 -1.850 1.00 0.00 C ATOM 0 H ALA A 74 4.291 6.345 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 74 3.877 8.624 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.302 8.702 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.877 9.120 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.540 7.512 -1.487 1.00 0.00 H new ATOM 973 N GLU A 75 4.000 7.119 -4.387 1.00 0.00 N ATOM 974 CA GLU A 75 3.763 6.249 -5.544 1.00 0.00 C ATOM 975 C GLU A 75 4.459 6.855 -6.780 1.00 0.00 C ATOM 976 O GLU A 75 4.208 8.027 -7.088 1.00 0.00 O ATOM 977 CB GLU A 75 2.244 6.071 -5.741 1.00 0.00 C ATOM 978 CG GLU A 75 1.828 5.045 -6.811 1.00 0.00 C ATOM 979 CD GLU A 75 1.818 5.555 -8.258 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.741 6.779 -8.504 1.00 0.00 O ATOM 981 OE2 GLU A 75 1.822 4.702 -9.177 1.00 0.00 O ATOM 0 H GLU A 75 3.801 8.099 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 75 4.187 5.258 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.804 5.775 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.814 7.038 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.504 4.192 -6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.830 4.679 -6.568 1.00 0.00 H new ATOM 986 N PRO A 76 5.359 6.107 -7.456 1.00 0.00 N ATOM 987 CA PRO A 76 6.307 6.663 -8.424 1.00 0.00 C ATOM 988 C PRO A 76 5.687 6.961 -9.793 1.00 0.00 C ATOM 989 O PRO A 76 5.357 6.022 -10.559 1.00 0.00 O ATOM 990 CB PRO A 76 7.459 5.653 -8.506 1.00 0.00 C ATOM 991 CG PRO A 76 6.760 4.331 -8.212 1.00 0.00 C ATOM 992 CD PRO A 76 5.720 4.723 -7.168 1.00 0.00 C ATOM 0 HA PRO A 76 6.656 7.641 -8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.930 5.653 -9.489 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.241 5.869 -7.778 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.298 3.911 -9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.454 3.583 -7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.847 4.073 -7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.124 4.627 -6.160 1.00 0.00 H new