USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 837 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 HIS : no HD1:sc=-0.00828 X(o=1.2,f=1.1) USER MOD Set 2.2: A 46 SER OG : rot -94:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0179 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.47) USER MOD Single : A 7 SER OG : rot 26:sc= 0.709 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.13) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0908 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 51 ASN : amide:sc= -0.225 K(o=-0.22,f=-2!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -82:sc= 1.3 USER MOD Single : A 76 THR OG1 : rot -67:sc= 0.452 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.137) USER MOD Single : A 82 ASN : amide:sc= -2.66 K(o=-2.7,f=-0.37) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.135 K(o=-0.13,f=-6.4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.671 -6.228 -0.928 1.00 1.30 N ATOM 2 CA MET A 1 2.328 -5.138 -1.884 1.00 0.82 C ATOM 3 C MET A 1 0.834 -5.123 -2.198 1.00 0.93 C ATOM 4 O MET A 1 0.186 -6.169 -2.226 1.00 1.77 O ATOM 5 CB MET A 1 3.127 -5.341 -3.173 1.00 1.74 C ATOM 6 CG MET A 1 4.518 -4.741 -3.123 1.00 2.18 C ATOM 7 SD MET A 1 5.683 -5.621 -4.181 1.00 3.18 S ATOM 8 CE MET A 1 7.198 -4.734 -3.838 1.00 3.85 C ATOM 0 H1 MET A 1 3.483 -6.766 -1.292 1.00 1.30 H new ATOM 0 H2 MET A 1 2.914 -5.816 -0.004 1.00 1.30 H new ATOM 0 H3 MET A 1 1.855 -6.864 -0.820 1.00 1.30 H new ATOM 0 HA MET A 1 2.581 -4.181 -1.429 1.00 0.82 H new ATOM 0 HB2 MET A 1 3.208 -6.409 -3.377 1.00 1.74 H new ATOM 0 HB3 MET A 1 2.579 -4.898 -4.005 1.00 1.74 H new ATOM 0 HG2 MET A 1 4.471 -3.696 -3.429 1.00 2.18 H new ATOM 0 HG3 MET A 1 4.881 -4.757 -2.095 1.00 2.18 H new ATOM 0 HE1 MET A 1 8.012 -5.165 -4.421 1.00 3.85 H new ATOM 0 HE2 MET A 1 7.074 -3.685 -4.107 1.00 3.85 H new ATOM 0 HE3 MET A 1 7.432 -4.811 -2.776 1.00 3.85 H new ATOM 20 N VAL A 2 0.295 -3.932 -2.443 1.00 0.25 N ATOM 21 CA VAL A 2 -1.122 -3.778 -2.767 1.00 0.24 C ATOM 22 C VAL A 2 -1.287 -3.355 -4.222 1.00 0.24 C ATOM 23 O VAL A 2 -0.409 -2.693 -4.774 1.00 0.26 O ATOM 24 CB VAL A 2 -1.797 -2.737 -1.846 1.00 0.24 C ATOM 25 CG1 VAL A 2 -3.231 -2.456 -2.287 1.00 0.23 C ATOM 26 CG2 VAL A 2 -1.764 -3.203 -0.397 1.00 0.26 C ATOM 0 H VAL A 2 0.819 -3.057 -2.423 1.00 0.25 H new ATOM 0 HA VAL A 2 -1.606 -4.742 -2.611 1.00 0.24 H new ATOM 0 HB VAL A 2 -1.235 -1.807 -1.924 1.00 0.24 H new ATOM 0 HG11 VAL A 2 -3.679 -1.720 -1.620 1.00 0.23 H new ATOM 0 HG12 VAL A 2 -3.229 -2.069 -3.306 1.00 0.23 H new ATOM 0 HG13 VAL A 2 -3.810 -3.379 -2.251 1.00 0.23 H new ATOM 0 HG21 VAL A 2 -2.244 -2.457 0.236 1.00 0.26 H new ATOM 0 HG22 VAL A 2 -2.295 -4.151 -0.307 1.00 0.26 H new ATOM 0 HG23 VAL A 2 -0.729 -3.336 -0.081 1.00 0.26 H new ATOM 36 N LYS A 3 -2.393 -3.746 -4.859 1.00 0.23 N ATOM 37 CA LYS A 3 -2.590 -3.397 -6.254 1.00 0.24 C ATOM 38 C LYS A 3 -4.040 -3.049 -6.536 1.00 0.21 C ATOM 39 O LYS A 3 -4.948 -3.821 -6.245 1.00 0.20 O ATOM 40 CB LYS A 3 -2.149 -4.553 -7.158 1.00 0.25 C ATOM 41 CG LYS A 3 -2.096 -5.904 -6.454 1.00 0.57 C ATOM 42 CD LYS A 3 -1.615 -6.999 -7.388 1.00 1.06 C ATOM 43 CE LYS A 3 -0.098 -7.031 -7.470 1.00 1.50 C ATOM 44 NZ LYS A 3 0.420 -8.414 -7.659 1.00 2.08 N ATOM 0 H LYS A 3 -3.145 -4.291 -4.438 1.00 0.23 H new ATOM 0 HA LYS A 3 -1.980 -2.519 -6.467 1.00 0.24 H new ATOM 0 HB2 LYS A 3 -2.834 -4.622 -8.003 1.00 0.25 H new ATOM 0 HB3 LYS A 3 -1.163 -4.327 -7.564 1.00 0.25 H new ATOM 0 HG2 LYS A 3 -1.431 -5.841 -5.593 1.00 0.57 H new ATOM 0 HG3 LYS A 3 -3.086 -6.157 -6.074 1.00 0.57 H new ATOM 0 HD2 LYS A 3 -1.982 -7.964 -7.039 1.00 1.06 H new ATOM 0 HD3 LYS A 3 -2.031 -6.840 -8.383 1.00 1.06 H new ATOM 0 HE2 LYS A 3 0.234 -6.403 -8.297 1.00 1.50 H new ATOM 0 HE3 LYS A 3 0.324 -6.607 -6.559 1.00 1.50 H new ATOM 0 HZ1 LYS A 3 1.459 -8.392 -7.710 1.00 2.08 H new ATOM 0 HZ2 LYS A 3 0.125 -9.008 -6.858 1.00 2.08 H new ATOM 0 HZ3 LYS A 3 0.039 -8.810 -8.542 1.00 2.08 H new ATOM 58 N GLN A 4 -4.239 -1.871 -7.105 1.00 0.21 N ATOM 59 CA GLN A 4 -5.569 -1.394 -7.442 1.00 0.20 C ATOM 60 C GLN A 4 -6.027 -2.044 -8.752 1.00 0.18 C ATOM 61 O GLN A 4 -5.345 -1.938 -9.771 1.00 0.18 O ATOM 62 CB GLN A 4 -5.542 0.127 -7.576 1.00 0.23 C ATOM 63 CG GLN A 4 -6.906 0.761 -7.782 1.00 0.55 C ATOM 64 CD GLN A 4 -7.334 1.605 -6.592 1.00 1.36 C ATOM 65 OE1 GLN A 4 -7.115 2.815 -6.564 1.00 2.36 O ATOM 66 NE2 GLN A 4 -7.941 0.964 -5.603 1.00 1.49 N ATOM 0 H GLN A 4 -3.489 -1.223 -7.345 1.00 0.21 H new ATOM 0 HA GLN A 4 -6.272 -1.664 -6.654 1.00 0.20 H new ATOM 0 HB2 GLN A 4 -5.089 0.551 -6.680 1.00 0.23 H new ATOM 0 HB3 GLN A 4 -4.900 0.395 -8.415 1.00 0.23 H new ATOM 0 HG2 GLN A 4 -6.884 1.383 -8.677 1.00 0.55 H new ATOM 0 HG3 GLN A 4 -7.645 -0.021 -7.955 1.00 0.55 H new ATOM 0 HE21 GLN A 4 -8.102 -0.041 -5.669 1.00 1.49 H new ATOM 0 HE22 GLN A 4 -8.247 1.476 -4.776 1.00 1.49 H new ATOM 75 N ILE A 5 -7.167 -2.733 -8.717 1.00 0.18 N ATOM 76 CA ILE A 5 -7.686 -3.420 -9.906 1.00 0.16 C ATOM 77 C ILE A 5 -8.851 -2.661 -10.548 1.00 0.17 C ATOM 78 O ILE A 5 -9.936 -2.566 -9.973 1.00 0.18 O ATOM 79 CB ILE A 5 -8.128 -4.864 -9.560 1.00 0.17 C ATOM 80 CG1 ILE A 5 -6.919 -5.807 -9.547 1.00 0.18 C ATOM 81 CG2 ILE A 5 -9.171 -5.374 -10.545 1.00 0.17 C ATOM 82 CD1 ILE A 5 -5.735 -5.291 -8.750 1.00 0.17 C ATOM 0 H ILE A 5 -7.748 -2.832 -7.885 1.00 0.18 H new ATOM 0 HA ILE A 5 -6.871 -3.457 -10.629 1.00 0.16 H new ATOM 0 HB ILE A 5 -8.576 -4.843 -8.567 1.00 0.17 H new ATOM 0 HG12 ILE A 5 -7.227 -6.769 -9.137 1.00 0.18 H new ATOM 0 HG13 ILE A 5 -6.601 -5.986 -10.574 1.00 0.18 H new ATOM 0 HG21 ILE A 5 -9.460 -6.390 -10.275 1.00 0.17 H new ATOM 0 HG22 ILE A 5 -10.047 -4.727 -10.515 1.00 0.17 H new ATOM 0 HG23 ILE A 5 -8.753 -5.371 -11.552 1.00 0.17 H new ATOM 0 HD11 ILE A 5 -4.924 -6.018 -8.792 1.00 0.17 H new ATOM 0 HD12 ILE A 5 -5.397 -4.345 -9.172 1.00 0.17 H new ATOM 0 HD13 ILE A 5 -6.033 -5.140 -7.712 1.00 0.17 H new ATOM 94 N GLU A 6 -8.618 -2.127 -11.745 1.00 0.17 N ATOM 95 CA GLU A 6 -9.645 -1.384 -12.465 1.00 0.18 C ATOM 96 C GLU A 6 -10.354 -2.231 -13.518 1.00 0.18 C ATOM 97 O GLU A 6 -11.045 -1.695 -14.384 1.00 0.20 O ATOM 98 CB GLU A 6 -9.040 -0.140 -13.113 1.00 0.20 C ATOM 99 CG GLU A 6 -9.467 1.158 -12.451 1.00 0.31 C ATOM 100 CD GLU A 6 -8.816 2.373 -13.084 1.00 0.56 C ATOM 101 OE1 GLU A 6 -9.008 2.580 -14.300 1.00 1.23 O ATOM 102 OE2 GLU A 6 -8.117 3.116 -12.364 1.00 1.41 O ATOM 0 H GLU A 6 -7.726 -2.196 -12.235 1.00 0.17 H new ATOM 0 HA GLU A 6 -10.396 -1.088 -11.732 1.00 0.18 H new ATOM 0 HB2 GLU A 6 -7.953 -0.215 -13.079 1.00 0.20 H new ATOM 0 HB3 GLU A 6 -9.325 -0.113 -14.165 1.00 0.20 H new ATOM 0 HG2 GLU A 6 -10.551 1.256 -12.515 1.00 0.31 H new ATOM 0 HG3 GLU A 6 -9.212 1.123 -11.392 1.00 0.31 H new ATOM 109 N SER A 7 -10.180 -3.542 -13.456 1.00 0.17 N ATOM 110 CA SER A 7 -10.814 -4.436 -14.426 1.00 0.17 C ATOM 111 C SER A 7 -10.968 -5.851 -13.871 1.00 0.17 C ATOM 112 O SER A 7 -10.079 -6.358 -13.186 1.00 0.17 O ATOM 113 CB SER A 7 -9.996 -4.475 -15.718 1.00 0.17 C ATOM 114 OG SER A 7 -10.316 -3.377 -16.557 1.00 0.93 O ATOM 0 H SER A 7 -9.611 -4.012 -12.752 1.00 0.17 H new ATOM 0 HA SER A 7 -11.810 -4.045 -14.634 1.00 0.17 H new ATOM 0 HB2 SER A 7 -8.933 -4.457 -15.480 1.00 0.17 H new ATOM 0 HB3 SER A 7 -10.189 -5.409 -16.246 1.00 0.17 H new ATOM 0 HG SER A 7 -10.646 -2.633 -16.011 1.00 0.93 H new ATOM 120 N LYS A 8 -12.102 -6.488 -14.173 1.00 0.16 N ATOM 121 CA LYS A 8 -12.374 -7.849 -13.702 1.00 0.16 C ATOM 122 C LYS A 8 -11.302 -8.830 -14.168 1.00 0.16 C ATOM 123 O LYS A 8 -11.086 -9.866 -13.540 1.00 0.16 O ATOM 124 CB LYS A 8 -13.763 -8.309 -14.170 1.00 0.18 C ATOM 125 CG LYS A 8 -14.082 -9.771 -13.865 1.00 0.21 C ATOM 126 CD LYS A 8 -14.636 -10.488 -15.087 1.00 0.40 C ATOM 127 CE LYS A 8 -13.728 -11.625 -15.527 1.00 0.80 C ATOM 128 NZ LYS A 8 -14.264 -12.331 -16.724 1.00 1.20 N ATOM 0 H LYS A 8 -12.846 -6.084 -14.741 1.00 0.16 H new ATOM 0 HA LYS A 8 -12.355 -7.833 -12.612 1.00 0.16 H new ATOM 0 HB2 LYS A 8 -14.518 -7.680 -13.699 1.00 0.18 H new ATOM 0 HB3 LYS A 8 -13.841 -8.150 -15.245 1.00 0.18 H new ATOM 0 HG2 LYS A 8 -13.180 -10.278 -13.523 1.00 0.21 H new ATOM 0 HG3 LYS A 8 -14.805 -9.824 -13.051 1.00 0.21 H new ATOM 0 HD2 LYS A 8 -15.628 -10.880 -14.861 1.00 0.40 H new ATOM 0 HD3 LYS A 8 -14.753 -9.777 -15.905 1.00 0.40 H new ATOM 0 HE2 LYS A 8 -12.736 -11.232 -15.751 1.00 0.80 H new ATOM 0 HE3 LYS A 8 -13.612 -12.335 -14.708 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 -13.617 -13.099 -16.993 1.00 1.20 H new ATOM 0 HZ2 LYS A 8 -15.199 -12.728 -16.503 1.00 1.20 H new ATOM 0 HZ3 LYS A 8 -14.351 -11.659 -17.513 1.00 1.20 H new ATOM 142 N THR A 9 -10.616 -8.499 -15.254 1.00 0.17 N ATOM 143 CA THR A 9 -9.560 -9.364 -15.758 1.00 0.18 C ATOM 144 C THR A 9 -8.312 -9.165 -14.911 1.00 0.18 C ATOM 145 O THR A 9 -7.545 -10.100 -14.676 1.00 0.19 O ATOM 146 CB THR A 9 -9.269 -9.061 -17.229 1.00 0.20 C ATOM 147 OG1 THR A 9 -10.475 -8.973 -17.969 1.00 0.26 O ATOM 148 CG2 THR A 9 -8.399 -10.105 -17.896 1.00 0.32 C ATOM 0 H THR A 9 -10.769 -7.649 -15.796 1.00 0.17 H new ATOM 0 HA THR A 9 -9.881 -10.404 -15.692 1.00 0.18 H new ATOM 0 HB THR A 9 -8.733 -8.112 -17.228 1.00 0.20 H new ATOM 0 HG1 THR A 9 -10.270 -8.777 -18.907 1.00 0.26 H new ATOM 0 HG21 THR A 9 -8.232 -9.828 -18.937 1.00 0.32 H new ATOM 0 HG22 THR A 9 -7.442 -10.165 -17.378 1.00 0.32 H new ATOM 0 HG23 THR A 9 -8.896 -11.074 -17.853 1.00 0.32 H new ATOM 156 N ALA A 10 -8.127 -7.936 -14.442 1.00 0.17 N ATOM 157 CA ALA A 10 -6.994 -7.601 -13.595 1.00 0.18 C ATOM 158 C ALA A 10 -7.124 -8.308 -12.250 1.00 0.18 C ATOM 159 O ALA A 10 -6.143 -8.808 -11.701 1.00 0.21 O ATOM 160 CB ALA A 10 -6.911 -6.093 -13.408 1.00 0.18 C ATOM 0 H ALA A 10 -8.752 -7.154 -14.637 1.00 0.17 H new ATOM 0 HA ALA A 10 -6.075 -7.938 -14.074 1.00 0.18 H new ATOM 0 HB1 ALA A 10 -6.059 -5.852 -12.772 1.00 0.18 H new ATOM 0 HB2 ALA A 10 -6.787 -5.612 -14.378 1.00 0.18 H new ATOM 0 HB3 ALA A 10 -7.827 -5.734 -12.939 1.00 0.18 H new ATOM 166 N PHE A 11 -8.353 -8.367 -11.735 1.00 0.15 N ATOM 167 CA PHE A 11 -8.623 -9.024 -10.457 1.00 0.16 C ATOM 168 C PHE A 11 -8.174 -10.478 -10.494 1.00 0.18 C ATOM 169 O PHE A 11 -7.491 -10.950 -9.586 1.00 0.21 O ATOM 170 CB PHE A 11 -10.118 -8.930 -10.121 1.00 0.16 C ATOM 171 CG PHE A 11 -10.466 -9.442 -8.753 1.00 0.30 C ATOM 172 CD1 PHE A 11 -9.777 -8.994 -7.637 1.00 0.35 C ATOM 173 CD2 PHE A 11 -11.474 -10.375 -8.583 1.00 0.47 C ATOM 174 CE1 PHE A 11 -10.086 -9.468 -6.379 1.00 0.50 C ATOM 175 CE2 PHE A 11 -11.790 -10.852 -7.325 1.00 0.63 C ATOM 176 CZ PHE A 11 -11.094 -10.399 -6.222 1.00 0.62 C ATOM 0 H PHE A 11 -9.177 -7.967 -12.184 1.00 0.15 H new ATOM 0 HA PHE A 11 -8.056 -8.514 -9.678 1.00 0.16 H new ATOM 0 HB2 PHE A 11 -10.434 -7.890 -10.200 1.00 0.16 H new ATOM 0 HB3 PHE A 11 -10.684 -9.492 -10.864 1.00 0.16 H new ATOM 0 HD1 PHE A 11 -8.989 -8.265 -7.754 1.00 0.35 H new ATOM 0 HD2 PHE A 11 -12.020 -10.734 -9.443 1.00 0.47 H new ATOM 0 HE1 PHE A 11 -9.540 -9.112 -5.518 1.00 0.50 H new ATOM 0 HE2 PHE A 11 -12.580 -11.578 -7.205 1.00 0.63 H new ATOM 0 HZ PHE A 11 -11.337 -10.772 -5.238 1.00 0.62 H new ATOM 186 N GLN A 12 -8.537 -11.178 -11.563 1.00 0.19 N ATOM 187 CA GLN A 12 -8.141 -12.570 -11.717 1.00 0.22 C ATOM 188 C GLN A 12 -6.622 -12.657 -11.813 1.00 0.24 C ATOM 189 O GLN A 12 -6.000 -13.570 -11.270 1.00 0.26 O ATOM 190 CB GLN A 12 -8.796 -13.190 -12.957 1.00 0.23 C ATOM 191 CG GLN A 12 -10.308 -13.009 -13.010 1.00 0.27 C ATOM 192 CD GLN A 12 -11.048 -13.917 -12.045 1.00 0.62 C ATOM 193 OE1 GLN A 12 -11.771 -14.826 -12.456 1.00 1.08 O ATOM 194 NE2 GLN A 12 -10.869 -13.673 -10.753 1.00 1.03 N ATOM 0 H GLN A 12 -9.100 -10.807 -12.329 1.00 0.19 H new ATOM 0 HA GLN A 12 -8.479 -13.133 -10.847 1.00 0.22 H new ATOM 0 HB2 GLN A 12 -8.355 -12.746 -13.850 1.00 0.23 H new ATOM 0 HB3 GLN A 12 -8.566 -14.255 -12.984 1.00 0.23 H new ATOM 0 HG2 GLN A 12 -10.552 -11.971 -12.784 1.00 0.27 H new ATOM 0 HG3 GLN A 12 -10.657 -13.205 -14.024 1.00 0.27 H new ATOM 0 HE21 GLN A 12 -10.261 -12.909 -10.458 1.00 1.03 H new ATOM 0 HE22 GLN A 12 -11.340 -14.249 -10.055 1.00 1.03 H new ATOM 203 N GLU A 13 -6.033 -11.686 -12.505 1.00 0.25 N ATOM 204 CA GLU A 13 -4.587 -11.627 -12.684 1.00 0.29 C ATOM 205 C GLU A 13 -3.861 -11.538 -11.345 1.00 0.29 C ATOM 206 O GLU A 13 -2.927 -12.297 -11.087 1.00 0.32 O ATOM 207 CB GLU A 13 -4.213 -10.423 -13.548 1.00 0.32 C ATOM 208 CG GLU A 13 -4.044 -10.759 -15.018 1.00 0.83 C ATOM 209 CD GLU A 13 -3.533 -9.584 -15.826 1.00 0.88 C ATOM 210 OE1 GLU A 13 -4.175 -8.514 -15.788 1.00 1.39 O ATOM 211 OE2 GLU A 13 -2.489 -9.733 -16.494 1.00 1.44 O ATOM 0 H GLU A 13 -6.541 -10.924 -12.954 1.00 0.25 H new ATOM 0 HA GLU A 13 -4.278 -12.547 -13.181 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -4.984 -9.659 -13.445 1.00 0.32 H new ATOM 0 HB3 GLU A 13 -3.285 -9.992 -13.173 1.00 0.32 H new ATOM 0 HG2 GLU A 13 -3.351 -11.594 -15.119 1.00 0.83 H new ATOM 0 HG3 GLU A 13 -5.001 -11.087 -15.425 1.00 0.83 H new ATOM 218 N ALA A 14 -4.291 -10.607 -10.496 1.00 0.28 N ATOM 219 CA ALA A 14 -3.672 -10.423 -9.188 1.00 0.30 C ATOM 220 C ALA A 14 -3.882 -11.643 -8.302 1.00 0.30 C ATOM 221 O ALA A 14 -3.030 -11.979 -7.477 1.00 0.31 O ATOM 222 CB ALA A 14 -4.228 -9.178 -8.514 1.00 0.30 C ATOM 0 H ALA A 14 -5.064 -9.970 -10.691 1.00 0.28 H new ATOM 0 HA ALA A 14 -2.600 -10.297 -9.336 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -3.758 -9.052 -7.539 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -4.020 -8.305 -9.133 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -5.305 -9.284 -8.387 1.00 0.30 H new ATOM 228 N LEU A 15 -5.018 -12.306 -8.478 1.00 0.30 N ATOM 229 CA LEU A 15 -5.342 -13.493 -7.695 1.00 0.31 C ATOM 230 C LEU A 15 -4.404 -14.649 -8.055 1.00 0.33 C ATOM 231 O LEU A 15 -3.903 -15.367 -7.178 1.00 0.35 O ATOM 232 CB LEU A 15 -6.802 -13.891 -7.940 1.00 0.30 C ATOM 233 CG LEU A 15 -7.836 -13.142 -7.093 1.00 0.32 C ATOM 234 CD1 LEU A 15 -9.244 -13.554 -7.493 1.00 0.32 C ATOM 235 CD2 LEU A 15 -7.605 -13.401 -5.611 1.00 0.41 C ATOM 0 H LEU A 15 -5.732 -12.042 -9.157 1.00 0.30 H new ATOM 0 HA LEU A 15 -5.208 -13.265 -6.637 1.00 0.31 H new ATOM 0 HB2 LEU A 15 -7.034 -13.730 -8.993 1.00 0.30 H new ATOM 0 HB3 LEU A 15 -6.907 -14.959 -7.751 1.00 0.30 H new ATOM 0 HG LEU A 15 -7.722 -12.073 -7.274 1.00 0.32 H new ATOM 0 HD11 LEU A 15 -9.968 -13.014 -6.883 1.00 0.32 H new ATOM 0 HD12 LEU A 15 -9.407 -13.318 -8.544 1.00 0.32 H new ATOM 0 HD13 LEU A 15 -9.367 -14.626 -7.339 1.00 0.32 H new ATOM 0 HD21 LEU A 15 -8.350 -12.860 -5.027 1.00 0.41 H new ATOM 0 HD22 LEU A 15 -7.692 -14.469 -5.410 1.00 0.41 H new ATOM 0 HD23 LEU A 15 -6.608 -13.060 -5.333 1.00 0.41 H new ATOM 247 N ASP A 16 -4.147 -14.816 -9.349 1.00 0.34 N ATOM 248 CA ASP A 16 -3.260 -15.874 -9.812 1.00 0.36 C ATOM 249 C ASP A 16 -1.867 -15.688 -9.221 1.00 0.31 C ATOM 250 O ASP A 16 -1.160 -16.658 -8.947 1.00 0.28 O ATOM 251 CB ASP A 16 -3.187 -15.884 -11.340 1.00 0.40 C ATOM 252 CG ASP A 16 -3.080 -17.287 -11.902 1.00 0.83 C ATOM 253 OD1 ASP A 16 -2.569 -18.174 -11.187 1.00 1.68 O ATOM 254 OD2 ASP A 16 -3.507 -17.501 -13.057 1.00 1.42 O ATOM 0 H ASP A 16 -4.539 -14.235 -10.090 1.00 0.34 H new ATOM 0 HA ASP A 16 -3.661 -16.831 -9.479 1.00 0.36 H new ATOM 0 HB2 ASP A 16 -4.074 -15.399 -11.747 1.00 0.40 H new ATOM 0 HB3 ASP A 16 -2.327 -15.299 -11.664 1.00 0.40 H new ATOM 259 N ALA A 17 -1.493 -14.433 -8.998 1.00 0.32 N ATOM 260 CA ALA A 17 -0.202 -14.111 -8.408 1.00 0.30 C ATOM 261 C ALA A 17 -0.220 -14.382 -6.904 1.00 0.19 C ATOM 262 O ALA A 17 0.825 -14.588 -6.286 1.00 0.32 O ATOM 263 CB ALA A 17 0.162 -12.659 -8.688 1.00 0.45 C ATOM 0 H ALA A 17 -2.069 -13.620 -9.218 1.00 0.32 H new ATOM 0 HA ALA A 17 0.556 -14.749 -8.862 1.00 0.30 H new ATOM 0 HB1 ALA A 17 1.130 -12.434 -8.240 1.00 0.45 H new ATOM 0 HB2 ALA A 17 0.214 -12.498 -9.765 1.00 0.45 H new ATOM 0 HB3 ALA A 17 -0.597 -12.004 -8.260 1.00 0.45 H new ATOM 269 N ALA A 18 -1.422 -14.397 -6.325 1.00 0.29 N ATOM 270 CA ALA A 18 -1.588 -14.658 -4.900 1.00 0.41 C ATOM 271 C ALA A 18 -1.254 -16.101 -4.568 1.00 0.32 C ATOM 272 O ALA A 18 -0.797 -16.398 -3.462 1.00 0.72 O ATOM 273 CB ALA A 18 -3.001 -14.320 -4.456 1.00 0.63 C ATOM 0 H ALA A 18 -2.295 -14.231 -6.825 1.00 0.29 H new ATOM 0 HA ALA A 18 -0.893 -14.018 -4.357 1.00 0.41 H new ATOM 0 HB1 ALA A 18 -3.105 -14.521 -3.390 1.00 0.63 H new ATOM 0 HB2 ALA A 18 -3.200 -13.266 -4.647 1.00 0.63 H new ATOM 0 HB3 ALA A 18 -3.713 -14.930 -5.012 1.00 0.63 H new ATOM 279 N GLY A 19 -1.460 -17.006 -5.522 1.00 0.34 N ATOM 280 CA GLY A 19 -1.147 -18.403 -5.287 1.00 0.45 C ATOM 281 C GLY A 19 -1.879 -18.986 -4.104 1.00 0.40 C ATOM 282 O GLY A 19 -3.104 -18.913 -4.016 1.00 0.93 O ATOM 0 H GLY A 19 -1.836 -16.798 -6.447 1.00 0.34 H new ATOM 0 HA2 GLY A 19 -1.394 -18.979 -6.179 1.00 0.45 H new ATOM 0 HA3 GLY A 19 -0.074 -18.506 -5.129 1.00 0.45 H new ATOM 286 N ASP A 20 -1.114 -19.572 -3.197 1.00 0.36 N ATOM 287 CA ASP A 20 -1.672 -20.187 -2.009 1.00 0.25 C ATOM 288 C ASP A 20 -1.704 -19.203 -0.847 1.00 0.24 C ATOM 289 O ASP A 20 -2.006 -19.578 0.286 1.00 0.27 O ATOM 290 CB ASP A 20 -0.848 -21.415 -1.639 1.00 0.34 C ATOM 291 CG ASP A 20 0.636 -21.114 -1.542 1.00 1.49 C ATOM 292 OD1 ASP A 20 0.994 -19.933 -1.350 1.00 2.28 O ATOM 293 OD2 ASP A 20 1.441 -22.061 -1.661 1.00 2.23 O ATOM 0 H ASP A 20 -0.098 -19.633 -3.264 1.00 0.36 H new ATOM 0 HA ASP A 20 -2.698 -20.487 -2.220 1.00 0.25 H new ATOM 0 HB2 ASP A 20 -1.198 -21.809 -0.685 1.00 0.34 H new ATOM 0 HB3 ASP A 20 -1.009 -22.194 -2.384 1.00 0.34 H new ATOM 298 N LYS A 21 -1.412 -17.936 -1.134 1.00 0.23 N ATOM 299 CA LYS A 21 -1.425 -16.899 -0.124 1.00 0.24 C ATOM 300 C LYS A 21 -2.850 -16.435 0.124 1.00 0.21 C ATOM 301 O LYS A 21 -3.702 -16.529 -0.759 1.00 0.21 O ATOM 302 CB LYS A 21 -0.548 -15.728 -0.566 1.00 0.26 C ATOM 303 CG LYS A 21 0.859 -16.154 -0.954 1.00 0.36 C ATOM 304 CD LYS A 21 1.727 -14.966 -1.334 1.00 0.43 C ATOM 305 CE LYS A 21 3.206 -15.298 -1.205 1.00 0.55 C ATOM 306 NZ LYS A 21 4.014 -14.659 -2.279 1.00 1.35 N ATOM 0 H LYS A 21 -1.163 -17.609 -2.067 1.00 0.23 H new ATOM 0 HA LYS A 21 -1.024 -17.300 0.807 1.00 0.24 H new ATOM 0 HB2 LYS A 21 -1.018 -15.229 -1.414 1.00 0.26 H new ATOM 0 HB3 LYS A 21 -0.491 -14.998 0.242 1.00 0.26 H new ATOM 0 HG2 LYS A 21 1.319 -16.688 -0.122 1.00 0.36 H new ATOM 0 HG3 LYS A 21 0.810 -16.850 -1.791 1.00 0.36 H new ATOM 0 HD2 LYS A 21 1.508 -14.666 -2.359 1.00 0.43 H new ATOM 0 HD3 LYS A 21 1.486 -14.117 -0.694 1.00 0.43 H new ATOM 0 HE2 LYS A 21 3.569 -14.967 -0.232 1.00 0.55 H new ATOM 0 HE3 LYS A 21 3.340 -16.379 -1.244 1.00 0.55 H new ATOM 0 HZ1 LYS A 21 5.016 -14.910 -2.156 1.00 1.35 H new ATOM 0 HZ2 LYS A 21 3.685 -14.994 -3.207 1.00 1.35 H new ATOM 0 HZ3 LYS A 21 3.907 -13.626 -2.226 1.00 1.35 H new ATOM 320 N LEU A 22 -3.107 -15.920 1.315 1.00 0.19 N ATOM 321 CA LEU A 22 -4.438 -15.434 1.659 1.00 0.18 C ATOM 322 C LEU A 22 -4.664 -14.059 1.039 1.00 0.18 C ATOM 323 O LEU A 22 -3.855 -13.148 1.219 1.00 0.23 O ATOM 324 CB LEU A 22 -4.588 -15.364 3.185 1.00 0.19 C ATOM 325 CG LEU A 22 -5.944 -14.884 3.733 1.00 0.21 C ATOM 326 CD1 LEU A 22 -7.061 -15.050 2.716 1.00 0.26 C ATOM 327 CD2 LEU A 22 -6.282 -15.640 5.009 1.00 0.19 C ATOM 0 H LEU A 22 -2.416 -15.827 2.059 1.00 0.19 H new ATOM 0 HA LEU A 22 -5.186 -16.122 1.265 1.00 0.18 H new ATOM 0 HB2 LEU A 22 -4.391 -16.356 3.591 1.00 0.19 H new ATOM 0 HB3 LEU A 22 -3.813 -14.702 3.571 1.00 0.19 H new ATOM 0 HG LEU A 22 -5.856 -13.819 3.949 1.00 0.21 H new ATOM 0 HD11 LEU A 22 -7.999 -14.699 3.145 1.00 0.26 H new ATOM 0 HD12 LEU A 22 -6.830 -14.468 1.824 1.00 0.26 H new ATOM 0 HD13 LEU A 22 -7.156 -16.102 2.448 1.00 0.26 H new ATOM 0 HD21 LEU A 22 -7.243 -15.296 5.392 1.00 0.19 H new ATOM 0 HD22 LEU A 22 -6.338 -16.707 4.796 1.00 0.19 H new ATOM 0 HD23 LEU A 22 -5.508 -15.459 5.755 1.00 0.19 H new ATOM 339 N VAL A 23 -5.749 -13.913 0.292 1.00 0.16 N ATOM 340 CA VAL A 23 -6.046 -12.647 -0.360 1.00 0.17 C ATOM 341 C VAL A 23 -7.246 -11.964 0.261 1.00 0.18 C ATOM 342 O VAL A 23 -8.388 -12.385 0.077 1.00 0.19 O ATOM 343 CB VAL A 23 -6.302 -12.826 -1.867 1.00 0.19 C ATOM 344 CG1 VAL A 23 -6.271 -11.485 -2.583 1.00 0.20 C ATOM 345 CG2 VAL A 23 -5.294 -13.785 -2.475 1.00 0.22 C ATOM 0 H VAL A 23 -6.434 -14.650 0.123 1.00 0.16 H new ATOM 0 HA VAL A 23 -5.164 -12.022 -0.219 1.00 0.17 H new ATOM 0 HB VAL A 23 -7.296 -13.255 -1.993 1.00 0.19 H new ATOM 0 HG11 VAL A 23 -6.454 -11.636 -3.647 1.00 0.20 H new ATOM 0 HG12 VAL A 23 -7.042 -10.834 -2.171 1.00 0.20 H new ATOM 0 HG13 VAL A 23 -5.294 -11.022 -2.446 1.00 0.20 H new ATOM 0 HG21 VAL A 23 -5.494 -13.896 -3.541 1.00 0.22 H new ATOM 0 HG22 VAL A 23 -4.287 -13.392 -2.334 1.00 0.22 H new ATOM 0 HG23 VAL A 23 -5.376 -14.756 -1.987 1.00 0.22 H new ATOM 355 N VAL A 24 -6.977 -10.880 0.969 1.00 0.20 N ATOM 356 CA VAL A 24 -8.026 -10.097 1.581 1.00 0.23 C ATOM 357 C VAL A 24 -8.195 -8.842 0.760 1.00 0.25 C ATOM 358 O VAL A 24 -7.273 -8.036 0.636 1.00 0.28 O ATOM 359 CB VAL A 24 -7.715 -9.723 3.045 1.00 0.26 C ATOM 360 CG1 VAL A 24 -6.416 -8.943 3.140 1.00 0.29 C ATOM 361 CG2 VAL A 24 -8.868 -8.934 3.656 1.00 0.31 C ATOM 0 H VAL A 24 -6.035 -10.525 1.132 1.00 0.20 H new ATOM 0 HA VAL A 24 -8.939 -10.693 1.602 1.00 0.23 H new ATOM 0 HB VAL A 24 -7.596 -10.646 3.613 1.00 0.26 H new ATOM 0 HG11 VAL A 24 -6.218 -8.691 4.182 1.00 0.29 H new ATOM 0 HG12 VAL A 24 -5.598 -9.550 2.752 1.00 0.29 H new ATOM 0 HG13 VAL A 24 -6.498 -8.027 2.554 1.00 0.29 H new ATOM 0 HG21 VAL A 24 -8.628 -8.680 4.689 1.00 0.31 H new ATOM 0 HG22 VAL A 24 -9.026 -8.019 3.085 1.00 0.31 H new ATOM 0 HG23 VAL A 24 -9.775 -9.538 3.632 1.00 0.31 H new ATOM 371 N VAL A 25 -9.362 -8.689 0.176 1.00 0.26 N ATOM 372 CA VAL A 25 -9.623 -7.542 -0.662 1.00 0.30 C ATOM 373 C VAL A 25 -10.838 -6.765 -0.186 1.00 0.42 C ATOM 374 O VAL A 25 -11.859 -7.340 0.196 1.00 0.81 O ATOM 375 CB VAL A 25 -9.777 -7.972 -2.131 1.00 0.30 C ATOM 376 CG1 VAL A 25 -8.423 -8.337 -2.708 1.00 0.25 C ATOM 377 CG2 VAL A 25 -10.706 -9.158 -2.258 1.00 0.31 C ATOM 0 H VAL A 25 -10.141 -9.341 0.265 1.00 0.26 H new ATOM 0 HA VAL A 25 -8.766 -6.872 -0.589 1.00 0.30 H new ATOM 0 HB VAL A 25 -10.203 -7.134 -2.682 1.00 0.30 H new ATOM 0 HG11 VAL A 25 -8.541 -8.640 -3.748 1.00 0.25 H new ATOM 0 HG12 VAL A 25 -7.760 -7.474 -2.655 1.00 0.25 H new ATOM 0 HG13 VAL A 25 -7.994 -9.160 -2.136 1.00 0.25 H new ATOM 0 HG21 VAL A 25 -10.795 -9.439 -3.307 1.00 0.31 H new ATOM 0 HG22 VAL A 25 -10.304 -9.997 -1.690 1.00 0.31 H new ATOM 0 HG23 VAL A 25 -11.689 -8.894 -1.868 1.00 0.31 H new ATOM 387 N ASP A 26 -10.698 -5.450 -0.188 1.00 0.24 N ATOM 388 CA ASP A 26 -11.766 -4.567 0.263 1.00 0.31 C ATOM 389 C ASP A 26 -12.523 -3.963 -0.909 1.00 0.26 C ATOM 390 O ASP A 26 -11.926 -3.393 -1.821 1.00 0.26 O ATOM 391 CB ASP A 26 -11.205 -3.456 1.153 1.00 0.42 C ATOM 392 CG ASP A 26 -12.276 -2.796 2.003 1.00 0.50 C ATOM 393 OD1 ASP A 26 -13.431 -2.698 1.538 1.00 1.16 O ATOM 394 OD2 ASP A 26 -11.958 -2.378 3.138 1.00 1.29 O ATOM 0 H ASP A 26 -9.854 -4.967 -0.497 1.00 0.24 H new ATOM 0 HA ASP A 26 -12.466 -5.169 0.843 1.00 0.31 H new ATOM 0 HB2 ASP A 26 -10.434 -3.870 1.803 1.00 0.42 H new ATOM 0 HB3 ASP A 26 -10.725 -2.702 0.529 1.00 0.42 H new ATOM 399 N PHE A 27 -13.847 -4.066 -0.860 1.00 0.25 N ATOM 400 CA PHE A 27 -14.697 -3.509 -1.904 1.00 0.24 C ATOM 401 C PHE A 27 -15.212 -2.145 -1.455 1.00 0.24 C ATOM 402 O PHE A 27 -16.042 -2.054 -0.552 1.00 0.24 O ATOM 403 CB PHE A 27 -15.858 -4.457 -2.213 1.00 0.27 C ATOM 404 CG PHE A 27 -15.520 -5.432 -3.304 1.00 0.25 C ATOM 405 CD1 PHE A 27 -14.869 -6.626 -3.019 1.00 0.25 C ATOM 406 CD2 PHE A 27 -15.809 -5.133 -4.626 1.00 0.27 C ATOM 407 CE1 PHE A 27 -14.517 -7.497 -4.033 1.00 0.25 C ATOM 408 CE2 PHE A 27 -15.466 -6.006 -5.641 1.00 0.28 C ATOM 409 CZ PHE A 27 -14.817 -7.188 -5.344 1.00 0.26 C ATOM 0 H PHE A 27 -14.354 -4.531 -0.107 1.00 0.25 H new ATOM 0 HA PHE A 27 -14.117 -3.387 -2.819 1.00 0.24 H new ATOM 0 HB2 PHE A 27 -16.128 -5.004 -1.310 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -16.732 -3.875 -2.506 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -14.636 -6.876 -1.995 1.00 0.25 H new ATOM 0 HD2 PHE A 27 -16.309 -4.206 -4.866 1.00 0.27 H new ATOM 0 HE1 PHE A 27 -14.007 -8.420 -3.799 1.00 0.25 H new ATOM 0 HE2 PHE A 27 -15.705 -5.764 -6.666 1.00 0.28 H new ATOM 0 HZ PHE A 27 -14.545 -7.869 -6.136 1.00 0.26 H new ATOM 419 N SER A 28 -14.692 -1.087 -2.066 1.00 0.27 N ATOM 420 CA SER A 28 -15.078 0.271 -1.695 1.00 0.28 C ATOM 421 C SER A 28 -15.719 1.034 -2.854 1.00 0.33 C ATOM 422 O SER A 28 -16.093 0.453 -3.874 1.00 0.70 O ATOM 423 CB SER A 28 -13.845 1.024 -1.182 1.00 0.34 C ATOM 424 OG SER A 28 -12.758 0.901 -2.084 1.00 0.91 O ATOM 0 H SER A 28 -14.005 -1.142 -2.818 1.00 0.27 H new ATOM 0 HA SER A 28 -15.830 0.201 -0.909 1.00 0.28 H new ATOM 0 HB2 SER A 28 -14.090 2.077 -1.045 1.00 0.34 H new ATOM 0 HB3 SER A 28 -13.557 0.634 -0.206 1.00 0.34 H new ATOM 0 HG SER A 28 -11.985 1.392 -1.734 1.00 0.91 H new ATOM 430 N ALA A 29 -15.839 2.346 -2.674 1.00 0.27 N ATOM 431 CA ALA A 29 -16.421 3.225 -3.679 1.00 0.28 C ATOM 432 C ALA A 29 -15.831 4.628 -3.561 1.00 0.31 C ATOM 433 O ALA A 29 -15.406 5.038 -2.481 1.00 0.31 O ATOM 434 CB ALA A 29 -17.938 3.271 -3.529 1.00 0.36 C ATOM 0 H ALA A 29 -15.535 2.828 -1.828 1.00 0.27 H new ATOM 0 HA ALA A 29 -16.183 2.831 -4.667 1.00 0.28 H new ATOM 0 HB1 ALA A 29 -18.359 3.932 -4.287 1.00 0.36 H new ATOM 0 HB2 ALA A 29 -18.347 2.268 -3.655 1.00 0.36 H new ATOM 0 HB3 ALA A 29 -18.194 3.646 -2.538 1.00 0.36 H new ATOM 440 N THR A 30 -15.833 5.374 -4.661 1.00 0.39 N ATOM 441 CA THR A 30 -15.321 6.742 -4.649 1.00 0.48 C ATOM 442 C THR A 30 -16.261 7.629 -3.839 1.00 0.48 C ATOM 443 O THR A 30 -15.836 8.517 -3.104 1.00 0.52 O ATOM 444 CB THR A 30 -15.195 7.281 -6.076 1.00 0.62 C ATOM 445 OG1 THR A 30 -14.910 6.233 -6.985 1.00 1.41 O ATOM 446 CG2 THR A 30 -14.114 8.328 -6.229 1.00 1.11 C ATOM 0 H THR A 30 -16.181 5.058 -5.567 1.00 0.39 H new ATOM 0 HA THR A 30 -14.332 6.745 -4.191 1.00 0.48 H new ATOM 0 HB THR A 30 -16.158 7.743 -6.295 1.00 0.62 H new ATOM 0 HG1 THR A 30 -14.835 6.598 -7.892 1.00 1.41 H new ATOM 0 HG21 THR A 30 -14.079 8.667 -7.265 1.00 1.11 H new ATOM 0 HG22 THR A 30 -14.332 9.174 -5.578 1.00 1.11 H new ATOM 0 HG23 THR A 30 -13.150 7.899 -5.955 1.00 1.11 H new ATOM 454 N TRP A 31 -17.552 7.359 -4.001 1.00 0.48 N ATOM 455 CA TRP A 31 -18.607 8.106 -3.320 1.00 0.56 C ATOM 456 C TRP A 31 -18.872 7.552 -1.915 1.00 0.52 C ATOM 457 O TRP A 31 -19.878 7.887 -1.291 1.00 0.60 O ATOM 458 CB TRP A 31 -19.893 8.032 -4.148 1.00 0.64 C ATOM 459 CG TRP A 31 -20.412 6.631 -4.281 1.00 0.47 C ATOM 460 CD1 TRP A 31 -19.946 5.653 -5.117 1.00 0.59 C ATOM 461 CD2 TRP A 31 -21.486 6.046 -3.540 1.00 0.57 C ATOM 462 NE1 TRP A 31 -20.663 4.497 -4.930 1.00 0.70 N ATOM 463 CE2 TRP A 31 -21.616 4.716 -3.975 1.00 0.66 C ATOM 464 CE3 TRP A 31 -22.356 6.518 -2.552 1.00 0.87 C ATOM 465 CZ2 TRP A 31 -22.568 3.848 -3.450 1.00 0.92 C ATOM 466 CZ3 TRP A 31 -23.303 5.656 -2.031 1.00 1.11 C ATOM 467 CH2 TRP A 31 -23.406 4.337 -2.486 1.00 1.10 C ATOM 0 H TRP A 31 -17.898 6.616 -4.608 1.00 0.48 H new ATOM 0 HA TRP A 31 -18.280 9.141 -3.218 1.00 0.56 H new ATOM 0 HB2 TRP A 31 -20.656 8.656 -3.684 1.00 0.64 H new ATOM 0 HB3 TRP A 31 -19.706 8.442 -5.140 1.00 0.64 H new ATOM 0 HD1 TRP A 31 -19.135 5.773 -5.820 1.00 0.59 H new ATOM 0 HE1 TRP A 31 -20.509 3.618 -5.424 1.00 0.70 H new ATOM 0 HE3 TRP A 31 -22.289 7.538 -2.202 1.00 0.87 H new ATOM 0 HZ2 TRP A 31 -22.643 2.826 -3.791 1.00 0.92 H new ATOM 0 HZ3 TRP A 31 -23.974 6.006 -1.261 1.00 1.11 H new ATOM 0 HH2 TRP A 31 -24.163 3.691 -2.067 1.00 1.10 H new ATOM 478 N CYS A 32 -17.963 6.717 -1.414 1.00 0.43 N ATOM 479 CA CYS A 32 -18.112 6.141 -0.083 1.00 0.47 C ATOM 480 C CYS A 32 -17.204 6.842 0.923 1.00 0.49 C ATOM 481 O CYS A 32 -16.085 7.238 0.595 1.00 0.72 O ATOM 482 CB CYS A 32 -17.812 4.641 -0.106 1.00 0.45 C ATOM 483 SG CYS A 32 -18.190 3.787 1.456 1.00 0.57 S ATOM 0 H CYS A 32 -17.120 6.427 -1.909 1.00 0.43 H new ATOM 0 HA CYS A 32 -19.146 6.287 0.228 1.00 0.47 H new ATOM 0 HB2 CYS A 32 -18.386 4.178 -0.909 1.00 0.45 H new ATOM 0 HB3 CYS A 32 -16.758 4.495 -0.342 1.00 0.45 H new ATOM 488 N GLY A 33 -17.690 6.983 2.153 1.00 0.30 N ATOM 489 CA GLY A 33 -16.906 7.630 3.191 1.00 0.30 C ATOM 490 C GLY A 33 -16.202 6.631 4.091 1.00 0.29 C ATOM 491 O GLY A 33 -14.975 6.534 4.072 1.00 0.28 O ATOM 0 H GLY A 33 -18.611 6.661 2.449 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -16.166 8.284 2.729 1.00 0.30 H new ATOM 0 HA3 GLY A 33 -17.558 8.262 3.794 1.00 0.30 H new ATOM 495 N PRO A 34 -16.957 5.870 4.903 1.00 0.34 N ATOM 496 CA PRO A 34 -16.383 4.874 5.814 1.00 0.35 C ATOM 497 C PRO A 34 -15.417 3.933 5.103 1.00 0.30 C ATOM 498 O PRO A 34 -14.485 3.405 5.711 1.00 0.30 O ATOM 499 CB PRO A 34 -17.606 4.106 6.316 1.00 0.44 C ATOM 500 CG PRO A 34 -18.734 5.072 6.199 1.00 0.68 C ATOM 501 CD PRO A 34 -18.428 5.924 4.997 1.00 0.42 C ATOM 0 HA PRO A 34 -15.798 5.336 6.610 1.00 0.35 H new ATOM 0 HB2 PRO A 34 -17.786 3.213 5.717 1.00 0.44 H new ATOM 0 HB3 PRO A 34 -17.472 3.777 7.347 1.00 0.44 H new ATOM 0 HG2 PRO A 34 -19.683 4.550 6.076 1.00 0.68 H new ATOM 0 HG3 PRO A 34 -18.820 5.682 7.098 1.00 0.68 H new ATOM 0 HD2 PRO A 34 -18.902 5.533 4.097 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -18.785 6.946 5.128 1.00 0.42 H new ATOM 509 N CYS A 35 -15.654 3.721 3.813 1.00 0.31 N ATOM 510 CA CYS A 35 -14.807 2.848 3.010 1.00 0.33 C ATOM 511 C CYS A 35 -13.362 3.329 3.023 1.00 0.29 C ATOM 512 O CYS A 35 -12.430 2.538 3.174 1.00 0.33 O ATOM 513 CB CYS A 35 -15.319 2.789 1.570 1.00 0.39 C ATOM 514 SG CYS A 35 -17.012 2.136 1.403 1.00 0.57 S ATOM 0 H CYS A 35 -16.428 4.143 3.300 1.00 0.31 H new ATOM 0 HA CYS A 35 -14.844 1.849 3.445 1.00 0.33 H new ATOM 0 HB2 CYS A 35 -15.285 3.791 1.143 1.00 0.39 H new ATOM 0 HB3 CYS A 35 -14.643 2.169 0.981 1.00 0.39 H new ATOM 519 N LYS A 36 -13.185 4.635 2.860 1.00 0.28 N ATOM 520 CA LYS A 36 -11.856 5.236 2.854 1.00 0.34 C ATOM 521 C LYS A 36 -11.208 5.163 4.232 1.00 0.34 C ATOM 522 O LYS A 36 -9.983 5.178 4.351 1.00 0.45 O ATOM 523 CB LYS A 36 -11.936 6.690 2.392 1.00 0.38 C ATOM 524 CG LYS A 36 -11.988 6.844 0.880 1.00 0.42 C ATOM 525 CD LYS A 36 -12.920 7.971 0.468 1.00 0.72 C ATOM 526 CE LYS A 36 -12.155 9.256 0.201 1.00 1.58 C ATOM 527 NZ LYS A 36 -12.967 10.236 -0.572 1.00 2.57 N ATOM 0 H LYS A 36 -13.947 5.300 2.730 1.00 0.28 H new ATOM 0 HA LYS A 36 -11.237 4.670 2.158 1.00 0.34 H new ATOM 0 HB2 LYS A 36 -12.822 7.153 2.827 1.00 0.38 H new ATOM 0 HB3 LYS A 36 -11.072 7.233 2.775 1.00 0.38 H new ATOM 0 HG2 LYS A 36 -10.986 7.041 0.498 1.00 0.42 H new ATOM 0 HG3 LYS A 36 -12.323 5.910 0.429 1.00 0.42 H new ATOM 0 HD2 LYS A 36 -13.470 7.681 -0.427 1.00 0.72 H new ATOM 0 HD3 LYS A 36 -13.656 8.141 1.253 1.00 0.72 H new ATOM 0 HE2 LYS A 36 -11.853 9.702 1.149 1.00 1.58 H new ATOM 0 HE3 LYS A 36 -11.242 9.027 -0.349 1.00 1.58 H new ATOM 0 HZ1 LYS A 36 -12.409 11.099 -0.733 1.00 2.57 H new ATOM 0 HZ2 LYS A 36 -13.234 9.820 -1.487 1.00 2.57 H new ATOM 0 HZ3 LYS A 36 -13.826 10.474 -0.036 1.00 2.57 H new ATOM 541 N MET A 37 -12.034 5.096 5.274 1.00 0.27 N ATOM 542 CA MET A 37 -11.533 5.036 6.641 1.00 0.31 C ATOM 543 C MET A 37 -10.826 3.713 6.921 1.00 0.27 C ATOM 544 O MET A 37 -10.012 3.623 7.840 1.00 0.26 O ATOM 545 CB MET A 37 -12.683 5.231 7.632 1.00 0.35 C ATOM 546 CG MET A 37 -13.433 6.540 7.444 1.00 0.50 C ATOM 547 SD MET A 37 -14.747 6.768 8.659 1.00 1.17 S ATOM 548 CE MET A 37 -14.196 8.263 9.477 1.00 1.63 C ATOM 0 H MET A 37 -13.051 5.082 5.196 1.00 0.27 H new ATOM 0 HA MET A 37 -10.806 5.839 6.764 1.00 0.31 H new ATOM 0 HB2 MET A 37 -13.384 4.402 7.530 1.00 0.35 H new ATOM 0 HB3 MET A 37 -12.288 5.191 8.647 1.00 0.35 H new ATOM 0 HG2 MET A 37 -12.730 7.370 7.514 1.00 0.50 H new ATOM 0 HG3 MET A 37 -13.861 6.569 6.442 1.00 0.50 H new ATOM 0 HE1 MET A 37 -14.907 8.534 10.258 1.00 1.63 H new ATOM 0 HE2 MET A 37 -13.215 8.094 9.922 1.00 1.63 H new ATOM 0 HE3 MET A 37 -14.130 9.072 8.750 1.00 1.63 H new ATOM 558 N ILE A 38 -11.127 2.689 6.125 1.00 0.25 N ATOM 559 CA ILE A 38 -10.504 1.382 6.302 1.00 0.23 C ATOM 560 C ILE A 38 -9.180 1.297 5.548 1.00 0.24 C ATOM 561 O ILE A 38 -8.331 0.459 5.858 1.00 0.23 O ATOM 562 CB ILE A 38 -11.427 0.254 5.799 1.00 0.24 C ATOM 563 CG1 ILE A 38 -12.819 0.372 6.443 1.00 0.24 C ATOM 564 CG2 ILE A 38 -10.797 -1.109 6.062 1.00 0.25 C ATOM 565 CD1 ILE A 38 -13.027 -0.483 7.681 1.00 0.24 C ATOM 0 H ILE A 38 -11.795 2.740 5.356 1.00 0.25 H new ATOM 0 HA ILE A 38 -10.325 1.259 7.370 1.00 0.23 H new ATOM 0 HB ILE A 38 -11.553 0.355 4.721 1.00 0.24 H new ATOM 0 HG12 ILE A 38 -12.994 1.415 6.706 1.00 0.24 H new ATOM 0 HG13 ILE A 38 -13.570 0.100 5.701 1.00 0.24 H new ATOM 0 HG21 ILE A 38 -11.462 -1.893 5.701 1.00 0.25 H new ATOM 0 HG22 ILE A 38 -9.842 -1.175 5.541 1.00 0.25 H new ATOM 0 HG23 ILE A 38 -10.636 -1.235 7.133 1.00 0.25 H new ATOM 0 HD11 ILE A 38 -14.037 -0.332 8.062 1.00 0.24 H new ATOM 0 HD12 ILE A 38 -12.889 -1.534 7.425 1.00 0.24 H new ATOM 0 HD13 ILE A 38 -12.304 -0.198 8.446 1.00 0.24 H new ATOM 577 N LYS A 39 -9.007 2.169 4.557 1.00 0.28 N ATOM 578 CA LYS A 39 -7.787 2.191 3.759 1.00 0.32 C ATOM 579 C LYS A 39 -6.547 2.266 4.650 1.00 0.31 C ATOM 580 O LYS A 39 -5.640 1.443 4.536 1.00 0.31 O ATOM 581 CB LYS A 39 -7.809 3.372 2.786 1.00 0.41 C ATOM 582 CG LYS A 39 -7.542 2.972 1.344 1.00 0.59 C ATOM 583 CD LYS A 39 -7.895 4.092 0.379 1.00 1.09 C ATOM 584 CE LYS A 39 -7.226 3.892 -0.971 1.00 1.54 C ATOM 585 NZ LYS A 39 -7.916 4.649 -2.052 1.00 2.04 N ATOM 0 H LYS A 39 -9.698 2.870 4.289 1.00 0.28 H new ATOM 0 HA LYS A 39 -7.741 1.263 3.189 1.00 0.32 H new ATOM 0 HB2 LYS A 39 -8.780 3.864 2.845 1.00 0.41 H new ATOM 0 HB3 LYS A 39 -7.062 4.103 3.097 1.00 0.41 H new ATOM 0 HG2 LYS A 39 -6.491 2.708 1.228 1.00 0.59 H new ATOM 0 HG3 LYS A 39 -8.123 2.083 1.099 1.00 0.59 H new ATOM 0 HD2 LYS A 39 -8.976 4.134 0.248 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -7.587 5.049 0.801 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -6.186 4.212 -0.911 1.00 1.54 H new ATOM 0 HE3 LYS A 39 -7.219 2.831 -1.219 1.00 1.54 H new ATOM 0 HZ1 LYS A 39 -7.428 4.485 -2.956 1.00 2.04 H new ATOM 0 HZ2 LYS A 39 -8.902 4.326 -2.127 1.00 2.04 H new ATOM 0 HZ3 LYS A 39 -7.900 5.665 -1.829 1.00 2.04 H new ATOM 599 N PRO A 40 -6.495 3.259 5.555 1.00 0.34 N ATOM 600 CA PRO A 40 -5.360 3.438 6.464 1.00 0.36 C ATOM 601 C PRO A 40 -4.976 2.146 7.183 1.00 0.32 C ATOM 602 O PRO A 40 -3.801 1.789 7.246 1.00 0.33 O ATOM 603 CB PRO A 40 -5.871 4.473 7.465 1.00 0.41 C ATOM 604 CG PRO A 40 -6.891 5.256 6.712 1.00 0.57 C ATOM 605 CD PRO A 40 -7.536 4.287 5.760 1.00 0.38 C ATOM 0 HA PRO A 40 -4.458 3.743 5.933 1.00 0.36 H new ATOM 0 HB2 PRO A 40 -6.307 3.994 8.342 1.00 0.41 H new ATOM 0 HB3 PRO A 40 -5.063 5.113 7.820 1.00 0.41 H new ATOM 0 HG2 PRO A 40 -7.629 5.688 7.388 1.00 0.57 H new ATOM 0 HG3 PRO A 40 -6.429 6.083 6.173 1.00 0.57 H new ATOM 0 HD2 PRO A 40 -8.446 3.858 6.179 1.00 0.38 H new ATOM 0 HD3 PRO A 40 -7.813 4.770 4.823 1.00 0.38 H new ATOM 613 N PHE A 41 -5.970 1.458 7.740 1.00 0.28 N ATOM 614 CA PHE A 41 -5.724 0.223 8.482 1.00 0.27 C ATOM 615 C PHE A 41 -5.495 -0.959 7.548 1.00 0.23 C ATOM 616 O PHE A 41 -4.733 -1.869 7.870 1.00 0.22 O ATOM 617 CB PHE A 41 -6.909 -0.093 9.393 1.00 0.28 C ATOM 618 CG PHE A 41 -7.399 1.081 10.193 1.00 0.31 C ATOM 619 CD1 PHE A 41 -6.541 1.769 11.036 1.00 0.40 C ATOM 620 CD2 PHE A 41 -8.716 1.491 10.102 1.00 0.30 C ATOM 621 CE1 PHE A 41 -6.992 2.847 11.773 1.00 0.44 C ATOM 622 CE2 PHE A 41 -9.173 2.568 10.835 1.00 0.34 C ATOM 623 CZ PHE A 41 -8.310 3.247 11.672 1.00 0.39 C ATOM 0 H PHE A 41 -6.951 1.733 7.692 1.00 0.28 H new ATOM 0 HA PHE A 41 -4.824 0.379 9.077 1.00 0.27 H new ATOM 0 HB2 PHE A 41 -7.730 -0.472 8.785 1.00 0.28 H new ATOM 0 HB3 PHE A 41 -6.624 -0.892 10.078 1.00 0.28 H new ATOM 0 HD1 PHE A 41 -5.510 1.459 11.118 1.00 0.40 H new ATOM 0 HD2 PHE A 41 -9.396 0.963 9.450 1.00 0.30 H new ATOM 0 HE1 PHE A 41 -6.315 3.376 12.427 1.00 0.44 H new ATOM 0 HE2 PHE A 41 -10.204 2.879 10.754 1.00 0.34 H new ATOM 0 HZ PHE A 41 -8.665 4.090 12.247 1.00 0.39 H new ATOM 633 N PHE A 42 -6.142 -0.944 6.391 1.00 0.21 N ATOM 634 CA PHE A 42 -5.978 -2.025 5.431 1.00 0.21 C ATOM 635 C PHE A 42 -4.566 -2.028 4.870 1.00 0.23 C ATOM 636 O PHE A 42 -3.908 -3.064 4.823 1.00 0.24 O ATOM 637 CB PHE A 42 -6.989 -1.893 4.291 1.00 0.24 C ATOM 638 CG PHE A 42 -7.349 -3.207 3.651 1.00 0.22 C ATOM 639 CD1 PHE A 42 -8.217 -4.082 4.284 1.00 0.24 C ATOM 640 CD2 PHE A 42 -6.833 -3.559 2.412 1.00 0.27 C ATOM 641 CE1 PHE A 42 -8.561 -5.286 3.695 1.00 0.29 C ATOM 642 CE2 PHE A 42 -7.173 -4.761 1.821 1.00 0.32 C ATOM 643 CZ PHE A 42 -8.040 -5.625 2.462 1.00 0.33 C ATOM 0 H PHE A 42 -6.779 -0.203 6.097 1.00 0.21 H new ATOM 0 HA PHE A 42 -6.155 -2.967 5.949 1.00 0.21 H new ATOM 0 HB2 PHE A 42 -7.896 -1.424 4.673 1.00 0.24 H new ATOM 0 HB3 PHE A 42 -6.582 -1.227 3.530 1.00 0.24 H new ATOM 0 HD1 PHE A 42 -8.630 -3.822 5.248 1.00 0.24 H new ATOM 0 HD2 PHE A 42 -6.158 -2.886 1.904 1.00 0.27 H new ATOM 0 HE1 PHE A 42 -9.237 -5.960 4.200 1.00 0.29 H new ATOM 0 HE2 PHE A 42 -6.761 -5.025 0.858 1.00 0.32 H new ATOM 0 HZ PHE A 42 -8.310 -6.563 2.000 1.00 0.33 H new ATOM 653 N HIS A 43 -4.103 -0.863 4.442 1.00 0.26 N ATOM 654 CA HIS A 43 -2.766 -0.753 3.880 1.00 0.32 C ATOM 655 C HIS A 43 -1.694 -1.004 4.935 1.00 0.29 C ATOM 656 O HIS A 43 -0.672 -1.626 4.648 1.00 0.29 O ATOM 657 CB HIS A 43 -2.559 0.609 3.219 1.00 0.43 C ATOM 658 CG HIS A 43 -1.926 0.509 1.867 1.00 0.37 C ATOM 659 ND1 HIS A 43 -2.408 1.138 0.741 1.00 0.92 N ATOM 660 CD2 HIS A 43 -0.831 -0.189 1.466 1.00 0.30 C ATOM 661 CE1 HIS A 43 -1.612 0.809 -0.286 1.00 0.96 C ATOM 662 NE2 HIS A 43 -0.641 0.006 0.101 1.00 0.54 N ATOM 0 H HIS A 43 -4.627 0.011 4.472 1.00 0.26 H new ATOM 0 HA HIS A 43 -2.670 -1.524 3.115 1.00 0.32 H new ATOM 0 HB2 HIS A 43 -3.521 1.113 3.128 1.00 0.43 H new ATOM 0 HB3 HIS A 43 -1.934 1.228 3.862 1.00 0.43 H new ATOM 0 HD2 HIS A 43 -0.208 -0.798 2.104 1.00 0.30 H new ATOM 0 HE1 HIS A 43 -1.749 1.157 -1.299 1.00 0.96 H new ATOM 0 HE2 HIS A 43 0.097 -0.391 -0.480 1.00 0.54 H new ATOM 670 N SER A 44 -1.922 -0.524 6.153 1.00 0.28 N ATOM 671 CA SER A 44 -0.957 -0.710 7.232 1.00 0.31 C ATOM 672 C SER A 44 -0.754 -2.192 7.528 1.00 0.26 C ATOM 673 O SER A 44 0.376 -2.655 7.681 1.00 0.28 O ATOM 674 CB SER A 44 -1.432 0.013 8.494 1.00 0.36 C ATOM 675 OG SER A 44 -0.447 -0.034 9.511 1.00 1.16 O ATOM 0 H SER A 44 -2.760 -0.007 6.417 1.00 0.28 H new ATOM 0 HA SER A 44 -0.004 -0.287 6.914 1.00 0.31 H new ATOM 0 HB2 SER A 44 -1.664 1.051 8.256 1.00 0.36 H new ATOM 0 HB3 SER A 44 -2.353 -0.445 8.854 1.00 0.36 H new ATOM 0 HG SER A 44 -0.775 0.436 10.306 1.00 1.16 H new ATOM 681 N LEU A 45 -1.855 -2.934 7.609 1.00 0.23 N ATOM 682 CA LEU A 45 -1.791 -4.365 7.891 1.00 0.23 C ATOM 683 C LEU A 45 -0.980 -5.080 6.815 1.00 0.22 C ATOM 684 O LEU A 45 -0.201 -5.988 7.108 1.00 0.22 O ATOM 685 CB LEU A 45 -3.201 -4.957 7.961 1.00 0.23 C ATOM 686 CG LEU A 45 -4.034 -4.511 9.164 1.00 0.27 C ATOM 687 CD1 LEU A 45 -5.519 -4.551 8.830 1.00 0.28 C ATOM 688 CD2 LEU A 45 -3.733 -5.386 10.373 1.00 0.37 C ATOM 0 H LEU A 45 -2.799 -2.570 7.484 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.301 -4.506 8.855 1.00 0.23 H new ATOM 0 HB2 LEU A 45 -3.736 -4.690 7.050 1.00 0.23 H new ATOM 0 HB3 LEU A 45 -3.121 -6.044 7.977 1.00 0.23 H new ATOM 0 HG LEU A 45 -3.766 -3.483 9.408 1.00 0.27 H new ATOM 0 HD11 LEU A 45 -6.096 -4.231 9.698 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.722 -3.883 7.993 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -5.804 -5.568 8.560 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -4.334 -5.055 11.220 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -3.974 -6.423 10.140 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.676 -5.307 10.625 1.00 0.37 H new ATOM 700 N SER A 46 -1.153 -4.646 5.572 1.00 0.21 N ATOM 701 CA SER A 46 -0.427 -5.219 4.446 1.00 0.22 C ATOM 702 C SER A 46 1.075 -5.163 4.699 1.00 0.22 C ATOM 703 O SER A 46 1.833 -5.985 4.182 1.00 0.25 O ATOM 704 CB SER A 46 -0.772 -4.476 3.154 1.00 0.25 C ATOM 705 OG SER A 46 0.045 -3.329 2.989 1.00 1.05 O ATOM 0 H SER A 46 -1.794 -3.894 5.318 1.00 0.21 H new ATOM 0 HA SER A 46 -0.725 -6.262 4.339 1.00 0.22 H new ATOM 0 HB2 SER A 46 -0.643 -5.143 2.302 1.00 0.25 H new ATOM 0 HB3 SER A 46 -1.821 -4.180 3.171 1.00 0.25 H new ATOM 0 HG SER A 46 -0.414 -2.545 3.356 1.00 1.05 H new ATOM 711 N GLU A 47 1.499 -4.202 5.520 1.00 0.21 N ATOM 712 CA GLU A 47 2.906 -4.052 5.867 1.00 0.22 C ATOM 713 C GLU A 47 3.247 -4.939 7.060 1.00 0.22 C ATOM 714 O GLU A 47 4.401 -5.315 7.262 1.00 0.26 O ATOM 715 CB GLU A 47 3.216 -2.591 6.200 1.00 0.24 C ATOM 716 CG GLU A 47 3.682 -1.779 5.005 1.00 1.21 C ATOM 717 CD GLU A 47 4.481 -0.558 5.411 1.00 1.53 C ATOM 718 OE1 GLU A 47 5.062 -0.569 6.516 1.00 1.90 O ATOM 719 OE2 GLU A 47 4.525 0.412 4.624 1.00 2.23 O ATOM 0 H GLU A 47 0.884 -3.516 5.956 1.00 0.21 H new ATOM 0 HA GLU A 47 3.511 -4.355 5.013 1.00 0.22 H new ATOM 0 HB2 GLU A 47 2.324 -2.126 6.619 1.00 0.24 H new ATOM 0 HB3 GLU A 47 3.985 -2.559 6.972 1.00 0.24 H new ATOM 0 HG2 GLU A 47 4.291 -2.409 4.357 1.00 1.21 H new ATOM 0 HG3 GLU A 47 2.816 -1.465 4.422 1.00 1.21 H new ATOM 726 N LYS A 48 2.221 -5.273 7.841 1.00 0.21 N ATOM 727 CA LYS A 48 2.383 -6.119 9.015 1.00 0.24 C ATOM 728 C LYS A 48 1.990 -7.563 8.704 1.00 0.24 C ATOM 729 O LYS A 48 1.878 -8.391 9.607 1.00 0.34 O ATOM 730 CB LYS A 48 1.541 -5.583 10.176 1.00 0.28 C ATOM 731 CG LYS A 48 1.935 -6.150 11.529 1.00 0.37 C ATOM 732 CD LYS A 48 0.746 -6.207 12.474 1.00 0.59 C ATOM 733 CE LYS A 48 0.237 -7.629 12.646 1.00 1.37 C ATOM 734 NZ LYS A 48 0.814 -8.286 13.851 1.00 1.90 N ATOM 0 H LYS A 48 1.262 -4.966 7.677 1.00 0.21 H new ATOM 0 HA LYS A 48 3.434 -6.103 9.303 1.00 0.24 H new ATOM 0 HB2 LYS A 48 1.630 -4.497 10.207 1.00 0.28 H new ATOM 0 HB3 LYS A 48 0.492 -5.811 9.988 1.00 0.28 H new ATOM 0 HG2 LYS A 48 2.347 -7.151 11.400 1.00 0.37 H new ATOM 0 HG3 LYS A 48 2.721 -5.536 11.968 1.00 0.37 H new ATOM 0 HD2 LYS A 48 1.032 -5.802 13.445 1.00 0.59 H new ATOM 0 HD3 LYS A 48 -0.056 -5.577 12.090 1.00 0.59 H new ATOM 0 HE2 LYS A 48 -0.850 -7.618 12.725 1.00 1.37 H new ATOM 0 HE3 LYS A 48 0.487 -8.213 11.760 1.00 1.37 H new ATOM 0 HZ1 LYS A 48 0.441 -9.254 13.931 1.00 1.90 H new ATOM 0 HZ2 LYS A 48 1.850 -8.320 13.765 1.00 1.90 H new ATOM 0 HZ3 LYS A 48 0.555 -7.744 14.700 1.00 1.90 H new ATOM 748 N TYR A 49 1.801 -7.863 7.418 1.00 0.21 N ATOM 749 CA TYR A 49 1.446 -9.212 6.982 1.00 0.26 C ATOM 750 C TYR A 49 2.336 -9.649 5.822 1.00 0.36 C ATOM 751 O TYR A 49 2.039 -9.369 4.661 1.00 1.02 O ATOM 752 CB TYR A 49 -0.016 -9.277 6.553 1.00 0.29 C ATOM 753 CG TYR A 49 -0.973 -9.582 7.683 1.00 0.26 C ATOM 754 CD1 TYR A 49 -1.389 -8.592 8.564 1.00 0.24 C ATOM 755 CD2 TYR A 49 -1.456 -10.872 7.869 1.00 0.33 C ATOM 756 CE1 TYR A 49 -2.261 -8.880 9.600 1.00 0.26 C ATOM 757 CE2 TYR A 49 -2.326 -11.169 8.901 1.00 0.36 C ATOM 758 CZ TYR A 49 -2.726 -10.170 9.764 1.00 0.32 C ATOM 759 OH TYR A 49 -3.591 -10.461 10.795 1.00 0.38 O ATOM 0 H TYR A 49 1.888 -7.187 6.659 1.00 0.21 H new ATOM 0 HA TYR A 49 1.596 -9.886 7.825 1.00 0.26 H new ATOM 0 HB2 TYR A 49 -0.295 -8.325 6.101 1.00 0.29 H new ATOM 0 HB3 TYR A 49 -0.125 -10.040 5.782 1.00 0.29 H new ATOM 0 HD1 TYR A 49 -1.027 -7.582 8.439 1.00 0.24 H new ATOM 0 HD2 TYR A 49 -1.146 -11.657 7.195 1.00 0.33 H new ATOM 0 HE1 TYR A 49 -2.576 -8.100 10.277 1.00 0.26 H new ATOM 0 HE2 TYR A 49 -2.691 -12.177 9.031 1.00 0.36 H new ATOM 0 HH TYR A 49 -3.823 -11.413 10.769 1.00 0.38 H new ATOM 769 N SER A 50 3.431 -10.330 6.143 1.00 0.49 N ATOM 770 CA SER A 50 4.371 -10.801 5.129 1.00 0.46 C ATOM 771 C SER A 50 3.979 -12.176 4.593 1.00 0.51 C ATOM 772 O SER A 50 4.820 -13.070 4.487 1.00 0.93 O ATOM 773 CB SER A 50 5.785 -10.862 5.713 1.00 0.70 C ATOM 774 OG SER A 50 5.882 -10.099 6.901 1.00 1.47 O ATOM 0 H SER A 50 3.691 -10.569 7.100 1.00 0.49 H new ATOM 0 HA SER A 50 4.344 -10.094 4.300 1.00 0.46 H new ATOM 0 HB2 SER A 50 6.051 -11.898 5.921 1.00 0.70 H new ATOM 0 HB3 SER A 50 6.500 -10.490 4.980 1.00 0.70 H new ATOM 0 HG SER A 50 6.795 -10.157 7.253 1.00 1.47 H new ATOM 780 N ASN A 51 2.708 -12.343 4.235 1.00 0.48 N ATOM 781 CA ASN A 51 2.236 -13.613 3.689 1.00 0.46 C ATOM 782 C ASN A 51 0.976 -13.436 2.844 1.00 0.40 C ATOM 783 O ASN A 51 0.795 -14.119 1.837 1.00 0.81 O ATOM 784 CB ASN A 51 1.971 -14.617 4.810 1.00 0.63 C ATOM 785 CG ASN A 51 2.371 -16.028 4.417 1.00 0.78 C ATOM 786 OD1 ASN A 51 3.263 -16.222 3.589 1.00 1.19 O ATOM 787 ND2 ASN A 51 1.718 -17.019 5.009 1.00 0.90 N ATOM 0 H ASN A 51 1.991 -11.621 4.312 1.00 0.48 H new ATOM 0 HA ASN A 51 3.025 -13.996 3.042 1.00 0.46 H new ATOM 0 HB2 ASN A 51 2.523 -14.319 5.701 1.00 0.63 H new ATOM 0 HB3 ASN A 51 0.913 -14.599 5.070 1.00 0.63 H new ATOM 0 HD21 ASN A 51 1.948 -17.987 4.784 1.00 0.90 H new ATOM 0 HD22 ASN A 51 0.986 -16.813 5.689 1.00 0.90 H new ATOM 794 N VAL A 52 0.098 -12.534 3.274 1.00 0.25 N ATOM 795 CA VAL A 52 -1.160 -12.288 2.576 1.00 0.16 C ATOM 796 C VAL A 52 -1.036 -11.148 1.571 1.00 0.14 C ATOM 797 O VAL A 52 -0.243 -10.225 1.759 1.00 0.15 O ATOM 798 CB VAL A 52 -2.275 -11.923 3.575 1.00 0.19 C ATOM 799 CG1 VAL A 52 -2.406 -12.991 4.647 1.00 0.19 C ATOM 800 CG2 VAL A 52 -1.994 -10.563 4.192 1.00 0.28 C ATOM 0 H VAL A 52 0.236 -11.960 4.106 1.00 0.25 H new ATOM 0 HA VAL A 52 -1.408 -13.209 2.048 1.00 0.16 H new ATOM 0 HB VAL A 52 -3.223 -11.871 3.040 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -3.199 -12.714 5.342 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -2.649 -13.946 4.181 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -1.464 -13.081 5.188 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -2.787 -10.312 4.897 1.00 0.28 H new ATOM 0 HG22 VAL A 52 -1.038 -10.591 4.716 1.00 0.28 H new ATOM 0 HG23 VAL A 52 -1.955 -9.808 3.407 1.00 0.28 H new ATOM 810 N ILE A 53 -1.834 -11.215 0.510 1.00 0.14 N ATOM 811 CA ILE A 53 -1.830 -10.188 -0.522 1.00 0.14 C ATOM 812 C ILE A 53 -2.990 -9.223 -0.307 1.00 0.13 C ATOM 813 O ILE A 53 -4.151 -9.624 -0.296 1.00 0.13 O ATOM 814 CB ILE A 53 -1.907 -10.816 -1.943 1.00 0.16 C ATOM 815 CG1 ILE A 53 -1.051 -10.019 -2.926 1.00 0.75 C ATOM 816 CG2 ILE A 53 -3.343 -10.914 -2.446 1.00 0.70 C ATOM 817 CD1 ILE A 53 0.423 -10.066 -2.599 1.00 1.10 C ATOM 0 H ILE A 53 -2.494 -11.974 0.343 1.00 0.14 H new ATOM 0 HA ILE A 53 -0.891 -9.639 -0.449 1.00 0.14 H new ATOM 0 HB ILE A 53 -1.516 -11.831 -1.873 1.00 0.16 H new ATOM 0 HG12 ILE A 53 -1.207 -10.407 -3.932 1.00 0.75 H new ATOM 0 HG13 ILE A 53 -1.384 -8.981 -2.930 1.00 0.75 H new ATOM 0 HG21 ILE A 53 -3.350 -11.358 -3.441 1.00 0.70 H new ATOM 0 HG22 ILE A 53 -3.925 -11.537 -1.767 1.00 0.70 H new ATOM 0 HG23 ILE A 53 -3.782 -9.917 -2.490 1.00 0.70 H new ATOM 0 HD11 ILE A 53 0.977 -9.481 -3.333 1.00 1.10 H new ATOM 0 HD12 ILE A 53 0.589 -9.651 -1.605 1.00 1.10 H new ATOM 0 HD13 ILE A 53 0.768 -11.100 -2.623 1.00 1.10 H new ATOM 829 N PHE A 54 -2.661 -7.952 -0.133 1.00 0.14 N ATOM 830 CA PHE A 54 -3.669 -6.925 0.084 1.00 0.14 C ATOM 831 C PHE A 54 -3.891 -6.134 -1.187 1.00 0.15 C ATOM 832 O PHE A 54 -2.987 -5.447 -1.649 1.00 0.16 O ATOM 833 CB PHE A 54 -3.223 -5.948 1.165 1.00 0.15 C ATOM 834 CG PHE A 54 -3.591 -6.350 2.562 1.00 0.13 C ATOM 835 CD1 PHE A 54 -3.497 -7.665 2.985 1.00 0.18 C ATOM 836 CD2 PHE A 54 -4.052 -5.394 3.450 1.00 0.18 C ATOM 837 CE1 PHE A 54 -3.853 -8.014 4.275 1.00 0.20 C ATOM 838 CE2 PHE A 54 -4.407 -5.739 4.739 1.00 0.19 C ATOM 839 CZ PHE A 54 -4.310 -7.050 5.150 1.00 0.16 C ATOM 0 H PHE A 54 -1.701 -7.606 -0.138 1.00 0.14 H new ATOM 0 HA PHE A 54 -4.587 -7.427 0.390 1.00 0.14 H new ATOM 0 HB2 PHE A 54 -2.141 -5.833 1.108 1.00 0.15 H new ATOM 0 HB3 PHE A 54 -3.659 -4.971 0.956 1.00 0.15 H new ATOM 0 HD1 PHE A 54 -3.143 -8.424 2.303 1.00 0.18 H new ATOM 0 HD2 PHE A 54 -4.135 -4.366 3.131 1.00 0.18 H new ATOM 0 HE1 PHE A 54 -3.773 -9.042 4.598 1.00 0.20 H new ATOM 0 HE2 PHE A 54 -4.760 -4.982 5.424 1.00 0.19 H new ATOM 0 HZ PHE A 54 -4.591 -7.323 6.156 1.00 0.16 H new ATOM 849 N LEU A 55 -5.091 -6.187 -1.732 1.00 0.16 N ATOM 850 CA LEU A 55 -5.376 -5.423 -2.925 1.00 0.17 C ATOM 851 C LEU A 55 -6.672 -4.663 -2.775 1.00 0.17 C ATOM 852 O LEU A 55 -7.476 -4.941 -1.883 1.00 0.17 O ATOM 853 CB LEU A 55 -5.367 -6.286 -4.182 1.00 0.17 C ATOM 854 CG LEU A 55 -6.721 -6.684 -4.758 1.00 0.16 C ATOM 855 CD1 LEU A 55 -7.108 -5.713 -5.851 1.00 0.17 C ATOM 856 CD2 LEU A 55 -6.669 -8.100 -5.304 1.00 0.16 C ATOM 0 H LEU A 55 -5.869 -6.741 -1.374 1.00 0.16 H new ATOM 0 HA LEU A 55 -4.572 -4.697 -3.048 1.00 0.17 H new ATOM 0 HB2 LEU A 55 -4.814 -5.753 -4.955 1.00 0.17 H new ATOM 0 HB3 LEU A 55 -4.811 -7.198 -3.963 1.00 0.17 H new ATOM 0 HG LEU A 55 -7.470 -6.651 -3.967 1.00 0.16 H new ATOM 0 HD11 LEU A 55 -8.076 -5.997 -6.264 1.00 0.17 H new ATOM 0 HD12 LEU A 55 -7.171 -4.706 -5.438 1.00 0.17 H new ATOM 0 HD13 LEU A 55 -6.357 -5.735 -6.640 1.00 0.17 H new ATOM 0 HD21 LEU A 55 -7.644 -8.369 -5.712 1.00 0.16 H new ATOM 0 HD22 LEU A 55 -5.918 -8.159 -6.091 1.00 0.16 H new ATOM 0 HD23 LEU A 55 -6.408 -8.790 -4.501 1.00 0.16 H new ATOM 868 N GLU A 56 -6.836 -3.669 -3.619 1.00 0.18 N ATOM 869 CA GLU A 56 -7.995 -2.813 -3.559 1.00 0.18 C ATOM 870 C GLU A 56 -8.825 -2.874 -4.825 1.00 0.16 C ATOM 871 O GLU A 56 -8.343 -2.572 -5.914 1.00 0.15 O ATOM 872 CB GLU A 56 -7.510 -1.397 -3.347 1.00 0.22 C ATOM 873 CG GLU A 56 -8.422 -0.540 -2.482 1.00 0.27 C ATOM 874 CD GLU A 56 -7.699 0.077 -1.298 1.00 1.31 C ATOM 875 OE1 GLU A 56 -6.473 0.296 -1.396 1.00 2.04 O ATOM 876 OE2 GLU A 56 -8.360 0.344 -0.274 1.00 2.16 O ATOM 0 H GLU A 56 -6.175 -3.434 -4.359 1.00 0.18 H new ATOM 0 HA GLU A 56 -8.634 -3.149 -2.742 1.00 0.18 H new ATOM 0 HB2 GLU A 56 -6.522 -1.430 -2.889 1.00 0.22 H new ATOM 0 HB3 GLU A 56 -7.395 -0.917 -4.319 1.00 0.22 H new ATOM 0 HG2 GLU A 56 -8.854 0.253 -3.092 1.00 0.27 H new ATOM 0 HG3 GLU A 56 -9.250 -1.150 -2.119 1.00 0.27 H new ATOM 883 N VAL A 57 -10.086 -3.244 -4.671 1.00 0.15 N ATOM 884 CA VAL A 57 -10.989 -3.314 -5.803 1.00 0.14 C ATOM 885 C VAL A 57 -12.107 -2.293 -5.665 1.00 0.14 C ATOM 886 O VAL A 57 -12.895 -2.337 -4.723 1.00 0.15 O ATOM 887 CB VAL A 57 -11.623 -4.707 -5.969 1.00 0.14 C ATOM 888 CG1 VAL A 57 -12.036 -4.900 -7.411 1.00 0.13 C ATOM 889 CG2 VAL A 57 -10.672 -5.812 -5.526 1.00 0.15 C ATOM 0 H VAL A 57 -10.504 -3.499 -3.776 1.00 0.15 H new ATOM 0 HA VAL A 57 -10.384 -3.101 -6.684 1.00 0.14 H new ATOM 0 HB VAL A 57 -12.503 -4.767 -5.329 1.00 0.14 H new ATOM 0 HG11 VAL A 57 -12.485 -5.886 -7.532 1.00 0.13 H new ATOM 0 HG12 VAL A 57 -12.761 -4.134 -7.687 1.00 0.13 H new ATOM 0 HG13 VAL A 57 -11.160 -4.819 -8.054 1.00 0.13 H new ATOM 0 HG21 VAL A 57 -11.154 -6.781 -5.657 1.00 0.15 H new ATOM 0 HG22 VAL A 57 -9.764 -5.773 -6.128 1.00 0.15 H new ATOM 0 HG23 VAL A 57 -10.417 -5.673 -4.475 1.00 0.15 H new ATOM 899 N ASP A 58 -12.175 -1.372 -6.610 1.00 0.14 N ATOM 900 CA ASP A 58 -13.208 -0.352 -6.590 1.00 0.15 C ATOM 901 C ASP A 58 -14.395 -0.826 -7.414 1.00 0.15 C ATOM 902 O ASP A 58 -14.271 -1.065 -8.616 1.00 0.14 O ATOM 903 CB ASP A 58 -12.660 0.959 -7.148 1.00 0.16 C ATOM 904 CG ASP A 58 -13.712 2.049 -7.207 1.00 1.04 C ATOM 905 OD1 ASP A 58 -14.711 1.952 -6.461 1.00 1.77 O ATOM 906 OD2 ASP A 58 -13.537 2.999 -7.998 1.00 1.79 O ATOM 0 H ASP A 58 -11.530 -1.309 -7.398 1.00 0.14 H new ATOM 0 HA ASP A 58 -13.531 -0.179 -5.563 1.00 0.15 H new ATOM 0 HB2 ASP A 58 -11.828 1.294 -6.529 1.00 0.16 H new ATOM 0 HB3 ASP A 58 -12.263 0.787 -8.149 1.00 0.16 H new ATOM 911 N VAL A 59 -15.535 -0.996 -6.761 1.00 0.16 N ATOM 912 CA VAL A 59 -16.725 -1.473 -7.444 1.00 0.17 C ATOM 913 C VAL A 59 -17.113 -0.559 -8.600 1.00 0.18 C ATOM 914 O VAL A 59 -17.816 -0.973 -9.520 1.00 0.18 O ATOM 915 CB VAL A 59 -17.910 -1.621 -6.465 1.00 0.18 C ATOM 916 CG1 VAL A 59 -18.432 -0.261 -6.025 1.00 0.19 C ATOM 917 CG2 VAL A 59 -19.020 -2.445 -7.090 1.00 0.19 C ATOM 0 H VAL A 59 -15.660 -0.812 -5.766 1.00 0.16 H new ATOM 0 HA VAL A 59 -16.486 -2.455 -7.852 1.00 0.17 H new ATOM 0 HB VAL A 59 -17.550 -2.144 -5.579 1.00 0.18 H new ATOM 0 HG11 VAL A 59 -19.266 -0.397 -5.336 1.00 0.19 H new ATOM 0 HG12 VAL A 59 -17.635 0.290 -5.526 1.00 0.19 H new ATOM 0 HG13 VAL A 59 -18.769 0.299 -6.897 1.00 0.19 H new ATOM 0 HG21 VAL A 59 -19.846 -2.538 -6.384 1.00 0.19 H new ATOM 0 HG22 VAL A 59 -19.371 -1.953 -7.997 1.00 0.19 H new ATOM 0 HG23 VAL A 59 -18.642 -3.437 -7.338 1.00 0.19 H new ATOM 927 N ASP A 60 -16.645 0.680 -8.555 1.00 0.19 N ATOM 928 CA ASP A 60 -16.931 1.635 -9.610 1.00 0.20 C ATOM 929 C ASP A 60 -16.313 1.165 -10.923 1.00 0.21 C ATOM 930 O ASP A 60 -16.917 1.290 -11.988 1.00 0.23 O ATOM 931 CB ASP A 60 -16.377 3.013 -9.236 1.00 0.21 C ATOM 932 CG ASP A 60 -17.428 4.100 -9.317 1.00 0.34 C ATOM 933 OD1 ASP A 60 -18.396 4.050 -8.529 1.00 0.82 O ATOM 934 OD2 ASP A 60 -17.284 5.002 -10.170 1.00 0.94 O ATOM 0 H ASP A 60 -16.066 1.045 -7.799 1.00 0.19 H new ATOM 0 HA ASP A 60 -18.011 1.709 -9.734 1.00 0.20 H new ATOM 0 HB2 ASP A 60 -15.973 2.977 -8.224 1.00 0.21 H new ATOM 0 HB3 ASP A 60 -15.550 3.261 -9.901 1.00 0.21 H new ATOM 939 N ASP A 61 -15.100 0.625 -10.832 1.00 0.21 N ATOM 940 CA ASP A 61 -14.381 0.134 -12.008 1.00 0.23 C ATOM 941 C ASP A 61 -14.558 -1.371 -12.174 1.00 0.21 C ATOM 942 O ASP A 61 -14.759 -1.862 -13.286 1.00 0.24 O ATOM 943 CB ASP A 61 -12.894 0.481 -11.912 1.00 0.26 C ATOM 944 CG ASP A 61 -12.671 1.933 -11.540 1.00 0.41 C ATOM 945 OD1 ASP A 61 -12.664 2.243 -10.331 1.00 0.95 O ATOM 946 OD2 ASP A 61 -12.504 2.761 -12.460 1.00 1.29 O ATOM 0 H ASP A 61 -14.592 0.516 -9.954 1.00 0.21 H new ATOM 0 HA ASP A 61 -14.803 0.626 -12.885 1.00 0.23 H new ATOM 0 HB2 ASP A 61 -12.420 -0.160 -11.169 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -12.411 0.273 -12.867 1.00 0.26 H new ATOM 951 N ALA A 62 -14.486 -2.099 -11.065 1.00 0.18 N ATOM 952 CA ALA A 62 -14.650 -3.546 -11.094 1.00 0.17 C ATOM 953 C ALA A 62 -16.130 -3.909 -11.002 1.00 0.20 C ATOM 954 O ALA A 62 -16.541 -4.711 -10.168 1.00 0.21 O ATOM 955 CB ALA A 62 -13.840 -4.201 -9.973 1.00 0.16 C ATOM 0 H ALA A 62 -14.316 -1.711 -10.137 1.00 0.18 H new ATOM 0 HA ALA A 62 -14.268 -3.928 -12.041 1.00 0.17 H new ATOM 0 HB1 ALA A 62 -13.975 -5.282 -10.010 1.00 0.16 H new ATOM 0 HB2 ALA A 62 -12.784 -3.962 -10.100 1.00 0.16 H new ATOM 0 HB3 ALA A 62 -14.183 -3.826 -9.009 1.00 0.16 H new ATOM 961 N GLN A 63 -16.930 -3.291 -11.865 1.00 0.27 N ATOM 962 CA GLN A 63 -18.365 -3.529 -11.886 1.00 0.34 C ATOM 963 C GLN A 63 -18.684 -4.915 -12.433 1.00 0.33 C ATOM 964 O GLN A 63 -19.819 -5.376 -12.337 1.00 0.40 O ATOM 965 CB GLN A 63 -19.054 -2.463 -12.741 1.00 0.42 C ATOM 966 CG GLN A 63 -20.050 -1.615 -11.980 1.00 1.35 C ATOM 967 CD GLN A 63 -21.344 -1.419 -12.742 1.00 1.82 C ATOM 968 OE1 GLN A 63 -21.391 -0.685 -13.731 1.00 2.17 O ATOM 969 NE2 GLN A 63 -22.398 -2.085 -12.291 1.00 2.51 N ATOM 0 H GLN A 63 -16.605 -2.619 -12.561 1.00 0.27 H new ATOM 0 HA GLN A 63 -18.735 -3.473 -10.862 1.00 0.34 H new ATOM 0 HB2 GLN A 63 -18.294 -1.812 -13.175 1.00 0.42 H new ATOM 0 HB3 GLN A 63 -19.566 -2.952 -13.570 1.00 0.42 H new ATOM 0 HG2 GLN A 63 -20.265 -2.085 -11.020 1.00 1.35 H new ATOM 0 HG3 GLN A 63 -19.607 -0.642 -11.767 1.00 1.35 H new ATOM 0 HE21 GLN A 63 -22.311 -2.681 -11.468 1.00 2.51 H new ATOM 0 HE22 GLN A 63 -23.296 -2.001 -12.767 1.00 2.51 H new ATOM 978 N ASP A 64 -17.686 -5.575 -13.018 1.00 0.26 N ATOM 979 CA ASP A 64 -17.887 -6.903 -13.587 1.00 0.27 C ATOM 980 C ASP A 64 -17.574 -8.006 -12.575 1.00 0.21 C ATOM 981 O ASP A 64 -18.065 -9.129 -12.704 1.00 0.22 O ATOM 982 CB ASP A 64 -17.007 -7.075 -14.827 1.00 0.29 C ATOM 983 CG ASP A 64 -17.668 -6.558 -16.088 1.00 0.55 C ATOM 984 OD1 ASP A 64 -18.089 -5.383 -16.100 1.00 1.23 O ATOM 985 OD2 ASP A 64 -17.763 -7.328 -17.067 1.00 1.33 O ATOM 0 H ASP A 64 -16.737 -5.213 -13.109 1.00 0.26 H new ATOM 0 HA ASP A 64 -18.938 -6.991 -13.864 1.00 0.27 H new ATOM 0 HB2 ASP A 64 -16.064 -6.550 -14.674 1.00 0.29 H new ATOM 0 HB3 ASP A 64 -16.767 -8.131 -14.954 1.00 0.29 H new ATOM 990 N VAL A 65 -16.753 -7.693 -11.576 1.00 0.18 N ATOM 991 CA VAL A 65 -16.384 -8.676 -10.561 1.00 0.14 C ATOM 992 C VAL A 65 -17.455 -8.816 -9.475 1.00 0.16 C ATOM 993 O VAL A 65 -17.862 -9.929 -9.143 1.00 0.16 O ATOM 994 CB VAL A 65 -15.014 -8.350 -9.920 1.00 0.12 C ATOM 995 CG1 VAL A 65 -13.977 -8.127 -10.999 1.00 0.14 C ATOM 996 CG2 VAL A 65 -15.094 -7.138 -9.014 1.00 0.13 C ATOM 0 H VAL A 65 -16.333 -6.772 -11.448 1.00 0.18 H new ATOM 0 HA VAL A 65 -16.304 -9.632 -11.078 1.00 0.14 H new ATOM 0 HB VAL A 65 -14.721 -9.203 -9.307 1.00 0.12 H new ATOM 0 HG11 VAL A 65 -13.016 -7.898 -10.538 1.00 0.14 H new ATOM 0 HG12 VAL A 65 -13.883 -9.028 -11.605 1.00 0.14 H new ATOM 0 HG13 VAL A 65 -14.284 -7.294 -11.632 1.00 0.14 H new ATOM 0 HG21 VAL A 65 -14.113 -6.941 -8.583 1.00 0.13 H new ATOM 0 HG22 VAL A 65 -15.417 -6.272 -9.592 1.00 0.13 H new ATOM 0 HG23 VAL A 65 -15.810 -7.328 -8.215 1.00 0.13 H new ATOM 1006 N ALA A 66 -17.886 -7.694 -8.898 1.00 0.19 N ATOM 1007 CA ALA A 66 -18.880 -7.707 -7.820 1.00 0.22 C ATOM 1008 C ALA A 66 -20.116 -8.545 -8.147 1.00 0.24 C ATOM 1009 O ALA A 66 -20.468 -9.459 -7.401 1.00 0.25 O ATOM 1010 CB ALA A 66 -19.307 -6.280 -7.512 1.00 0.27 C ATOM 0 H ALA A 66 -17.563 -6.762 -9.158 1.00 0.19 H new ATOM 0 HA ALA A 66 -18.403 -8.169 -6.955 1.00 0.22 H new ATOM 0 HB1 ALA A 66 -20.046 -6.286 -6.711 1.00 0.27 H new ATOM 0 HB2 ALA A 66 -18.439 -5.700 -7.200 1.00 0.27 H new ATOM 0 HB3 ALA A 66 -19.743 -5.830 -8.404 1.00 0.27 H new ATOM 1016 N PRO A 67 -20.805 -8.234 -9.252 1.00 0.26 N ATOM 1017 CA PRO A 67 -22.015 -8.955 -9.664 1.00 0.28 C ATOM 1018 C PRO A 67 -21.816 -10.465 -9.693 1.00 0.26 C ATOM 1019 O PRO A 67 -22.763 -11.230 -9.502 1.00 0.28 O ATOM 1020 CB PRO A 67 -22.288 -8.416 -11.066 1.00 0.29 C ATOM 1021 CG PRO A 67 -21.687 -7.054 -11.059 1.00 0.46 C ATOM 1022 CD PRO A 67 -20.467 -7.151 -10.194 1.00 0.28 C ATOM 0 HA PRO A 67 -22.839 -8.799 -8.967 1.00 0.28 H new ATOM 0 HB2 PRO A 67 -21.834 -9.047 -11.830 1.00 0.29 H new ATOM 0 HB3 PRO A 67 -23.357 -8.378 -11.277 1.00 0.29 H new ATOM 0 HG2 PRO A 67 -21.426 -6.736 -12.069 1.00 0.46 H new ATOM 0 HG3 PRO A 67 -22.389 -6.319 -10.665 1.00 0.46 H new ATOM 0 HD2 PRO A 67 -19.578 -7.389 -10.778 1.00 0.28 H new ATOM 0 HD3 PRO A 67 -20.266 -6.214 -9.675 1.00 0.28 H new ATOM 1030 N LYS A 68 -20.579 -10.887 -9.922 1.00 0.23 N ATOM 1031 CA LYS A 68 -20.254 -12.306 -9.959 1.00 0.22 C ATOM 1032 C LYS A 68 -20.155 -12.891 -8.555 1.00 0.24 C ATOM 1033 O LYS A 68 -20.257 -14.104 -8.375 1.00 0.26 O ATOM 1034 CB LYS A 68 -18.957 -12.539 -10.727 1.00 0.21 C ATOM 1035 CG LYS A 68 -19.179 -12.706 -12.221 1.00 0.51 C ATOM 1036 CD LYS A 68 -17.894 -12.524 -13.007 1.00 0.43 C ATOM 1037 CE LYS A 68 -17.912 -13.335 -14.291 1.00 0.98 C ATOM 1038 NZ LYS A 68 -17.566 -14.762 -14.049 1.00 1.53 N ATOM 0 H LYS A 68 -19.785 -10.267 -10.085 1.00 0.23 H new ATOM 0 HA LYS A 68 -21.064 -12.819 -10.478 1.00 0.22 H new ATOM 0 HB2 LYS A 68 -18.283 -11.699 -10.556 1.00 0.21 H new ATOM 0 HB3 LYS A 68 -18.463 -13.429 -10.336 1.00 0.21 H new ATOM 0 HG2 LYS A 68 -19.589 -13.697 -12.419 1.00 0.51 H new ATOM 0 HG3 LYS A 68 -19.919 -11.981 -12.561 1.00 0.51 H new ATOM 0 HD2 LYS A 68 -17.756 -11.469 -13.243 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -17.045 -12.827 -12.395 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -18.900 -13.273 -14.746 1.00 0.98 H new ATOM 0 HE3 LYS A 68 -17.206 -12.906 -15.002 1.00 0.98 H new ATOM 0 HZ1 LYS A 68 -17.589 -15.282 -14.949 1.00 1.53 H new ATOM 0 HZ2 LYS A 68 -16.613 -14.823 -13.638 1.00 1.53 H new ATOM 0 HZ3 LYS A 68 -18.254 -15.179 -13.390 1.00 1.53 H new ATOM 1052 N TYR A 69 -19.976 -12.026 -7.554 1.00 0.25 N ATOM 1053 CA TYR A 69 -19.885 -12.461 -6.158 1.00 0.29 C ATOM 1054 C TYR A 69 -21.158 -12.092 -5.403 1.00 0.34 C ATOM 1055 O TYR A 69 -21.365 -12.511 -4.263 1.00 0.38 O ATOM 1056 CB TYR A 69 -18.691 -11.796 -5.477 1.00 0.25 C ATOM 1057 CG TYR A 69 -17.355 -12.286 -5.976 1.00 0.23 C ATOM 1058 CD1 TYR A 69 -16.924 -13.579 -5.713 1.00 0.25 C ATOM 1059 CD2 TYR A 69 -16.531 -11.457 -6.723 1.00 0.23 C ATOM 1060 CE1 TYR A 69 -15.708 -14.033 -6.183 1.00 0.26 C ATOM 1061 CE2 TYR A 69 -15.312 -11.902 -7.196 1.00 0.24 C ATOM 1062 CZ TYR A 69 -14.905 -13.191 -6.924 1.00 0.24 C ATOM 1063 OH TYR A 69 -13.692 -13.639 -7.397 1.00 0.27 O ATOM 0 H TYR A 69 -19.891 -11.018 -7.685 1.00 0.25 H new ATOM 0 HA TYR A 69 -19.758 -13.543 -6.145 1.00 0.29 H new ATOM 0 HB2 TYR A 69 -18.752 -10.718 -5.629 1.00 0.25 H new ATOM 0 HB3 TYR A 69 -18.754 -11.971 -4.403 1.00 0.25 H new ATOM 0 HD1 TYR A 69 -17.550 -14.240 -5.132 1.00 0.25 H new ATOM 0 HD2 TYR A 69 -16.848 -10.447 -6.938 1.00 0.23 H new ATOM 0 HE1 TYR A 69 -15.387 -15.042 -5.972 1.00 0.26 H new ATOM 0 HE2 TYR A 69 -14.681 -11.244 -7.776 1.00 0.24 H new ATOM 0 HH TYR A 69 -13.020 -13.573 -6.687 1.00 0.27 H new ATOM 1073 N GLY A 70 -22.005 -11.310 -6.059 1.00 0.37 N ATOM 1074 CA GLY A 70 -23.255 -10.889 -5.465 1.00 0.45 C ATOM 1075 C GLY A 70 -23.073 -9.949 -4.291 1.00 0.41 C ATOM 1076 O GLY A 70 -23.821 -10.022 -3.316 1.00 0.46 O ATOM 0 H GLY A 70 -21.844 -10.957 -7.002 1.00 0.37 H new ATOM 0 HA2 GLY A 70 -23.863 -10.397 -6.224 1.00 0.45 H new ATOM 0 HA3 GLY A 70 -23.807 -11.769 -5.135 1.00 0.45 H new ATOM 1080 N ILE A 71 -22.101 -9.043 -4.379 1.00 0.34 N ATOM 1081 CA ILE A 71 -21.867 -8.079 -3.311 1.00 0.32 C ATOM 1082 C ILE A 71 -22.887 -6.949 -3.409 1.00 0.47 C ATOM 1083 O ILE A 71 -23.113 -6.404 -4.490 1.00 1.33 O ATOM 1084 CB ILE A 71 -20.440 -7.486 -3.379 1.00 0.27 C ATOM 1085 CG1 ILE A 71 -19.395 -8.603 -3.337 1.00 0.18 C ATOM 1086 CG2 ILE A 71 -20.207 -6.504 -2.237 1.00 0.37 C ATOM 1087 CD1 ILE A 71 -18.009 -8.153 -3.746 1.00 0.28 C ATOM 0 H ILE A 71 -21.468 -8.958 -5.174 1.00 0.34 H new ATOM 0 HA ILE A 71 -21.973 -8.602 -2.361 1.00 0.32 H new ATOM 0 HB ILE A 71 -20.340 -6.947 -4.321 1.00 0.27 H new ATOM 0 HG12 ILE A 71 -19.352 -9.011 -2.327 1.00 0.18 H new ATOM 0 HG13 ILE A 71 -19.714 -9.412 -3.994 1.00 0.18 H new ATOM 0 HG21 ILE A 71 -19.197 -6.100 -2.305 1.00 0.37 H new ATOM 0 HG22 ILE A 71 -20.929 -5.690 -2.304 1.00 0.37 H new ATOM 0 HG23 ILE A 71 -20.328 -7.019 -1.284 1.00 0.37 H new ATOM 0 HD11 ILE A 71 -17.322 -8.997 -3.692 1.00 0.28 H new ATOM 0 HD12 ILE A 71 -18.037 -7.772 -4.767 1.00 0.28 H new ATOM 0 HD13 ILE A 71 -17.669 -7.365 -3.074 1.00 0.28 H new ATOM 1099 N ARG A 72 -23.508 -6.604 -2.290 1.00 0.70 N ATOM 1100 CA ARG A 72 -24.508 -5.543 -2.280 1.00 0.70 C ATOM 1101 C ARG A 72 -24.423 -4.723 -1.002 1.00 0.66 C ATOM 1102 O ARG A 72 -25.264 -4.842 -0.111 1.00 1.19 O ATOM 1103 CB ARG A 72 -25.912 -6.130 -2.433 1.00 0.80 C ATOM 1104 CG ARG A 72 -26.991 -5.077 -2.621 1.00 0.90 C ATOM 1105 CD ARG A 72 -28.354 -5.708 -2.847 1.00 1.70 C ATOM 1106 NE ARG A 72 -29.387 -4.704 -3.081 1.00 2.38 N ATOM 1107 CZ ARG A 72 -30.692 -4.947 -2.989 1.00 3.09 C ATOM 1108 NH1 ARG A 72 -31.128 -6.158 -2.669 1.00 3.40 N ATOM 1109 NH2 ARG A 72 -31.564 -3.975 -3.218 1.00 3.91 N ATOM 0 H ARG A 72 -23.340 -7.039 -1.383 1.00 0.70 H new ATOM 0 HA ARG A 72 -24.305 -4.884 -3.124 1.00 0.70 H new ATOM 0 HB2 ARG A 72 -25.923 -6.807 -3.287 1.00 0.80 H new ATOM 0 HB3 ARG A 72 -26.146 -6.726 -1.551 1.00 0.80 H new ATOM 0 HG2 ARG A 72 -27.029 -4.433 -1.743 1.00 0.90 H new ATOM 0 HG3 ARG A 72 -26.737 -4.443 -3.471 1.00 0.90 H new ATOM 0 HD2 ARG A 72 -28.304 -6.383 -3.701 1.00 1.70 H new ATOM 0 HD3 ARG A 72 -28.623 -6.311 -1.980 1.00 1.70 H new ATOM 0 HE ARG A 72 -29.091 -3.760 -3.330 1.00 2.38 H new ATOM 0 HH11 ARG A 72 -30.462 -6.910 -2.492 1.00 3.40 H new ATOM 0 HH12 ARG A 72 -32.130 -6.338 -2.600 1.00 3.40 H new ATOM 0 HH21 ARG A 72 -31.234 -3.042 -3.465 1.00 3.91 H new ATOM 0 HH22 ARG A 72 -32.565 -4.160 -3.148 1.00 3.91 H new ATOM 1123 N GLY A 73 -23.394 -3.890 -0.924 1.00 0.73 N ATOM 1124 CA GLY A 73 -23.194 -3.052 0.241 1.00 0.79 C ATOM 1125 C GLY A 73 -21.728 -2.818 0.526 1.00 0.71 C ATOM 1126 O GLY A 73 -20.905 -3.708 0.334 1.00 1.03 O ATOM 0 H GLY A 73 -22.689 -3.780 -1.653 1.00 0.73 H new ATOM 0 HA2 GLY A 73 -23.691 -2.094 0.088 1.00 0.79 H new ATOM 0 HA3 GLY A 73 -23.662 -3.519 1.108 1.00 0.79 H new ATOM 1130 N ILE A 74 -21.400 -1.618 0.984 1.00 0.48 N ATOM 1131 CA ILE A 74 -20.020 -1.269 1.292 1.00 0.40 C ATOM 1132 C ILE A 74 -19.914 -0.657 2.686 1.00 0.39 C ATOM 1133 O ILE A 74 -20.895 -0.129 3.210 1.00 0.47 O ATOM 1134 CB ILE A 74 -19.455 -0.279 0.256 1.00 0.54 C ATOM 1135 CG1 ILE A 74 -20.451 0.857 0.009 1.00 0.68 C ATOM 1136 CG2 ILE A 74 -19.132 -1.000 -1.044 1.00 0.62 C ATOM 1137 CD1 ILE A 74 -19.972 1.876 -1.001 1.00 1.17 C ATOM 0 H ILE A 74 -22.072 -0.869 1.151 1.00 0.48 H new ATOM 0 HA ILE A 74 -19.435 -2.188 1.258 1.00 0.40 H new ATOM 0 HB ILE A 74 -18.533 0.150 0.649 1.00 0.54 H new ATOM 0 HG12 ILE A 74 -21.394 0.433 -0.335 1.00 0.68 H new ATOM 0 HG13 ILE A 74 -20.654 1.362 0.953 1.00 0.68 H new ATOM 0 HG21 ILE A 74 -18.734 -0.287 -1.766 1.00 0.62 H new ATOM 0 HG22 ILE A 74 -18.391 -1.777 -0.855 1.00 0.62 H new ATOM 0 HG23 ILE A 74 -20.039 -1.453 -1.444 1.00 0.62 H new ATOM 0 HD11 ILE A 74 -20.729 2.650 -1.124 1.00 1.17 H new ATOM 0 HD12 ILE A 74 -19.045 2.328 -0.650 1.00 1.17 H new ATOM 0 HD13 ILE A 74 -19.796 1.385 -1.958 1.00 1.17 H new ATOM 1149 N PRO A 75 -18.723 -0.717 3.314 1.00 0.34 N ATOM 1150 CA PRO A 75 -17.525 -1.333 2.735 1.00 0.28 C ATOM 1151 C PRO A 75 -17.471 -2.842 2.951 1.00 0.32 C ATOM 1152 O PRO A 75 -17.486 -3.313 4.091 1.00 0.67 O ATOM 1153 CB PRO A 75 -16.400 -0.657 3.512 1.00 0.34 C ATOM 1154 CG PRO A 75 -16.982 -0.419 4.864 1.00 0.50 C ATOM 1155 CD PRO A 75 -18.457 -0.173 4.659 1.00 0.40 C ATOM 0 HA PRO A 75 -17.479 -1.203 1.654 1.00 0.28 H new ATOM 0 HB2 PRO A 75 -15.515 -1.292 3.565 1.00 0.34 H new ATOM 0 HB3 PRO A 75 -16.095 0.277 3.040 1.00 0.34 H new ATOM 0 HG2 PRO A 75 -16.819 -1.279 5.513 1.00 0.50 H new ATOM 0 HG3 PRO A 75 -16.509 0.437 5.345 1.00 0.50 H new ATOM 0 HD2 PRO A 75 -19.055 -0.676 5.419 1.00 0.40 H new ATOM 0 HD3 PRO A 75 -18.697 0.889 4.715 1.00 0.40 H new ATOM 1163 N THR A 76 -17.404 -3.597 1.859 1.00 0.19 N ATOM 1164 CA THR A 76 -17.335 -5.050 1.936 1.00 0.17 C ATOM 1165 C THR A 76 -15.898 -5.549 2.014 1.00 0.16 C ATOM 1166 O THR A 76 -15.018 -5.060 1.306 1.00 0.17 O ATOM 1167 CB THR A 76 -18.015 -5.691 0.727 1.00 0.20 C ATOM 1168 OG1 THR A 76 -18.884 -4.775 0.093 1.00 0.49 O ATOM 1169 CG2 THR A 76 -18.814 -6.929 1.074 1.00 0.37 C ATOM 0 H THR A 76 -17.396 -3.225 0.909 1.00 0.19 H new ATOM 0 HA THR A 76 -17.855 -5.339 2.850 1.00 0.17 H new ATOM 0 HB THR A 76 -17.202 -5.982 0.061 1.00 0.20 H new ATOM 0 HG1 THR A 76 -19.633 -4.568 0.690 1.00 0.49 H new ATOM 0 HG21 THR A 76 -19.270 -7.333 0.170 1.00 0.37 H new ATOM 0 HG22 THR A 76 -18.154 -7.677 1.513 1.00 0.37 H new ATOM 0 HG23 THR A 76 -19.595 -6.670 1.789 1.00 0.37 H new ATOM 1177 N LEU A 77 -15.678 -6.556 2.840 1.00 0.15 N ATOM 1178 CA LEU A 77 -14.366 -7.156 2.961 1.00 0.15 C ATOM 1179 C LEU A 77 -14.426 -8.564 2.400 1.00 0.15 C ATOM 1180 O LEU A 77 -15.188 -9.405 2.880 1.00 0.17 O ATOM 1181 CB LEU A 77 -13.883 -7.158 4.418 1.00 0.17 C ATOM 1182 CG LEU A 77 -12.545 -6.458 4.658 1.00 0.36 C ATOM 1183 CD1 LEU A 77 -12.753 -4.965 4.859 1.00 0.38 C ATOM 1184 CD2 LEU A 77 -11.836 -7.067 5.859 1.00 0.97 C ATOM 0 H LEU A 77 -16.392 -6.974 3.436 1.00 0.15 H new ATOM 0 HA LEU A 77 -13.645 -6.567 2.394 1.00 0.15 H new ATOM 0 HB2 LEU A 77 -14.642 -6.679 5.037 1.00 0.17 H new ATOM 0 HB3 LEU A 77 -13.801 -8.191 4.756 1.00 0.17 H new ATOM 0 HG LEU A 77 -11.917 -6.600 3.779 1.00 0.36 H new ATOM 0 HD11 LEU A 77 -11.790 -4.483 5.028 1.00 0.38 H new ATOM 0 HD12 LEU A 77 -13.220 -4.540 3.971 1.00 0.38 H new ATOM 0 HD13 LEU A 77 -13.398 -4.800 5.722 1.00 0.38 H new ATOM 0 HD21 LEU A 77 -10.885 -6.558 6.017 1.00 0.97 H new ATOM 0 HD22 LEU A 77 -12.460 -6.954 6.746 1.00 0.97 H new ATOM 0 HD23 LEU A 77 -11.655 -8.126 5.676 1.00 0.97 H new ATOM 1196 N LEU A 78 -13.639 -8.811 1.363 1.00 0.14 N ATOM 1197 CA LEU A 78 -13.634 -10.114 0.717 1.00 0.14 C ATOM 1198 C LEU A 78 -12.340 -10.863 0.988 1.00 0.13 C ATOM 1199 O LEU A 78 -11.243 -10.325 0.841 1.00 0.14 O ATOM 1200 CB LEU A 78 -13.819 -9.966 -0.801 1.00 0.15 C ATOM 1201 CG LEU A 78 -15.264 -9.861 -1.322 1.00 0.16 C ATOM 1202 CD1 LEU A 78 -15.382 -10.528 -2.685 1.00 0.18 C ATOM 1203 CD2 LEU A 78 -16.259 -10.485 -0.355 1.00 0.19 C ATOM 0 H LEU A 78 -12.999 -8.130 0.953 1.00 0.14 H new ATOM 0 HA LEU A 78 -14.464 -10.684 1.134 1.00 0.14 H new ATOM 0 HB2 LEU A 78 -13.277 -9.077 -1.123 1.00 0.15 H new ATOM 0 HB3 LEU A 78 -13.346 -10.820 -1.285 1.00 0.15 H new ATOM 0 HG LEU A 78 -15.503 -8.801 -1.413 1.00 0.16 H new ATOM 0 HD11 LEU A 78 -16.409 -10.447 -3.042 1.00 0.18 H new ATOM 0 HD12 LEU A 78 -14.712 -10.036 -3.390 1.00 0.18 H new ATOM 0 HD13 LEU A 78 -15.110 -11.580 -2.600 1.00 0.18 H new ATOM 0 HD21 LEU A 78 -17.267 -10.391 -0.759 1.00 0.19 H new ATOM 0 HD22 LEU A 78 -16.020 -11.540 -0.218 1.00 0.19 H new ATOM 0 HD23 LEU A 78 -16.203 -9.972 0.605 1.00 0.19 H new ATOM 1215 N LEU A 79 -12.488 -12.121 1.368 1.00 0.14 N ATOM 1216 CA LEU A 79 -11.352 -12.976 1.643 1.00 0.14 C ATOM 1217 C LEU A 79 -11.279 -14.057 0.583 1.00 0.15 C ATOM 1218 O LEU A 79 -12.298 -14.643 0.229 1.00 0.17 O ATOM 1219 CB LEU A 79 -11.491 -13.615 3.028 1.00 0.15 C ATOM 1220 CG LEU A 79 -10.751 -12.901 4.158 1.00 0.18 C ATOM 1221 CD1 LEU A 79 -9.247 -13.018 3.970 1.00 0.47 C ATOM 1222 CD2 LEU A 79 -11.173 -11.441 4.237 1.00 0.65 C ATOM 0 H LEU A 79 -13.394 -12.573 1.493 1.00 0.14 H new ATOM 0 HA LEU A 79 -10.439 -12.380 1.626 1.00 0.14 H new ATOM 0 HB2 LEU A 79 -12.550 -13.662 3.283 1.00 0.15 H new ATOM 0 HB3 LEU A 79 -11.131 -14.642 2.973 1.00 0.15 H new ATOM 0 HG LEU A 79 -11.015 -13.383 5.099 1.00 0.18 H new ATOM 0 HD11 LEU A 79 -8.737 -12.503 4.785 1.00 0.47 H new ATOM 0 HD12 LEU A 79 -8.961 -14.070 3.970 1.00 0.47 H new ATOM 0 HD13 LEU A 79 -8.963 -12.565 3.020 1.00 0.47 H new ATOM 0 HD21 LEU A 79 -10.635 -10.950 5.048 1.00 0.65 H new ATOM 0 HD22 LEU A 79 -10.942 -10.944 3.295 1.00 0.65 H new ATOM 0 HD23 LEU A 79 -12.245 -11.382 4.425 1.00 0.65 H new ATOM 1234 N PHE A 80 -10.085 -14.320 0.069 1.00 0.18 N ATOM 1235 CA PHE A 80 -9.918 -15.337 -0.959 1.00 0.20 C ATOM 1236 C PHE A 80 -8.849 -16.346 -0.548 1.00 0.22 C ATOM 1237 O PHE A 80 -7.947 -16.033 0.226 1.00 0.23 O ATOM 1238 CB PHE A 80 -9.549 -14.676 -2.289 1.00 0.23 C ATOM 1239 CG PHE A 80 -10.721 -14.110 -3.027 1.00 0.23 C ATOM 1240 CD1 PHE A 80 -11.248 -12.886 -2.657 1.00 0.23 C ATOM 1241 CD2 PHE A 80 -11.295 -14.793 -4.089 1.00 0.29 C ATOM 1242 CE1 PHE A 80 -12.326 -12.348 -3.329 1.00 0.24 C ATOM 1243 CE2 PHE A 80 -12.377 -14.259 -4.767 1.00 0.31 C ATOM 1244 CZ PHE A 80 -12.891 -13.034 -4.385 1.00 0.27 C ATOM 0 H PHE A 80 -9.224 -13.847 0.345 1.00 0.18 H new ATOM 0 HA PHE A 80 -10.860 -15.872 -1.080 1.00 0.20 H new ATOM 0 HB2 PHE A 80 -8.830 -13.878 -2.101 1.00 0.23 H new ATOM 0 HB3 PHE A 80 -9.052 -15.410 -2.923 1.00 0.23 H new ATOM 0 HD1 PHE A 80 -10.810 -12.345 -1.832 1.00 0.23 H new ATOM 0 HD2 PHE A 80 -10.894 -15.750 -4.389 1.00 0.29 H new ATOM 0 HE1 PHE A 80 -12.727 -11.391 -3.029 1.00 0.24 H new ATOM 0 HE2 PHE A 80 -12.819 -14.798 -5.592 1.00 0.31 H new ATOM 0 HZ PHE A 80 -13.734 -12.614 -4.913 1.00 0.27 H new ATOM 1254 N LYS A 81 -8.979 -17.561 -1.061 1.00 0.22 N ATOM 1255 CA LYS A 81 -8.058 -18.651 -0.761 1.00 0.25 C ATOM 1256 C LYS A 81 -7.951 -19.575 -1.962 1.00 0.26 C ATOM 1257 O LYS A 81 -8.908 -20.277 -2.291 1.00 0.26 O ATOM 1258 CB LYS A 81 -8.570 -19.444 0.442 1.00 0.27 C ATOM 1259 CG LYS A 81 -7.479 -19.947 1.371 1.00 0.29 C ATOM 1260 CD LYS A 81 -7.740 -19.529 2.810 1.00 0.32 C ATOM 1261 CE LYS A 81 -6.447 -19.349 3.582 1.00 0.37 C ATOM 1262 NZ LYS A 81 -5.589 -20.564 3.510 1.00 0.93 N ATOM 0 H LYS A 81 -9.730 -17.821 -1.701 1.00 0.22 H new ATOM 0 HA LYS A 81 -7.077 -18.236 -0.531 1.00 0.25 H new ATOM 0 HB2 LYS A 81 -9.254 -18.815 1.012 1.00 0.27 H new ATOM 0 HB3 LYS A 81 -9.145 -20.297 0.082 1.00 0.27 H new ATOM 0 HG2 LYS A 81 -7.420 -21.034 1.311 1.00 0.29 H new ATOM 0 HG3 LYS A 81 -6.514 -19.557 1.046 1.00 0.29 H new ATOM 0 HD2 LYS A 81 -8.304 -18.597 2.822 1.00 0.32 H new ATOM 0 HD3 LYS A 81 -8.357 -20.281 3.302 1.00 0.32 H new ATOM 0 HE2 LYS A 81 -5.901 -18.494 3.183 1.00 0.37 H new ATOM 0 HE3 LYS A 81 -6.674 -19.125 4.624 1.00 0.37 H new ATOM 0 HZ1 LYS A 81 -4.790 -20.464 4.168 1.00 0.93 H new ATOM 0 HZ2 LYS A 81 -6.149 -21.401 3.770 1.00 0.93 H new ATOM 0 HZ3 LYS A 81 -5.227 -20.677 2.541 1.00 0.93 H new ATOM 1276 N ASN A 82 -6.803 -19.581 -2.625 1.00 0.31 N ATOM 1277 CA ASN A 82 -6.615 -20.434 -3.790 1.00 0.33 C ATOM 1278 C ASN A 82 -7.598 -20.052 -4.895 1.00 0.27 C ATOM 1279 O ASN A 82 -8.252 -20.914 -5.487 1.00 0.25 O ATOM 1280 CB ASN A 82 -6.795 -21.907 -3.410 1.00 0.36 C ATOM 1281 CG ASN A 82 -5.659 -22.465 -2.553 1.00 0.60 C ATOM 1282 OD1 ASN A 82 -5.567 -23.676 -2.353 1.00 1.33 O ATOM 1283 ND2 ASN A 82 -4.784 -21.596 -2.044 1.00 0.32 N ATOM 0 H ASN A 82 -5.994 -19.010 -2.379 1.00 0.31 H new ATOM 0 HA ASN A 82 -5.600 -20.291 -4.160 1.00 0.33 H new ATOM 0 HB2 ASN A 82 -7.735 -22.021 -2.870 1.00 0.36 H new ATOM 0 HB3 ASN A 82 -6.876 -22.500 -4.321 1.00 0.36 H new ATOM 0 HD21 ASN A 82 -4.010 -21.929 -1.470 1.00 0.32 H new ATOM 0 HD22 ASN A 82 -4.889 -20.599 -2.229 1.00 0.32 H new ATOM 1290 N GLY A 83 -7.682 -18.754 -5.178 1.00 0.27 N ATOM 1291 CA GLY A 83 -8.573 -18.270 -6.218 1.00 0.27 C ATOM 1292 C GLY A 83 -10.042 -18.436 -5.870 1.00 0.24 C ATOM 1293 O GLY A 83 -10.914 -18.213 -6.711 1.00 0.26 O ATOM 0 H GLY A 83 -7.147 -18.027 -4.703 1.00 0.27 H new ATOM 0 HA2 GLY A 83 -8.367 -17.216 -6.403 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -8.363 -18.803 -7.145 1.00 0.27 H new ATOM 1297 N GLU A 84 -10.320 -18.844 -4.636 1.00 0.21 N ATOM 1298 CA GLU A 84 -11.689 -19.055 -4.185 1.00 0.21 C ATOM 1299 C GLU A 84 -11.986 -18.207 -2.956 1.00 0.19 C ATOM 1300 O GLU A 84 -11.138 -18.054 -2.091 1.00 0.18 O ATOM 1301 CB GLU A 84 -11.891 -20.536 -3.849 1.00 0.24 C ATOM 1302 CG GLU A 84 -13.318 -21.022 -4.025 1.00 0.29 C ATOM 1303 CD GLU A 84 -13.644 -22.194 -3.118 1.00 0.63 C ATOM 1304 OE1 GLU A 84 -13.854 -21.966 -1.908 1.00 1.40 O ATOM 1305 OE2 GLU A 84 -13.685 -23.337 -3.618 1.00 1.30 O ATOM 0 H GLU A 84 -9.611 -19.036 -3.928 1.00 0.21 H new ATOM 0 HA GLU A 84 -12.371 -18.760 -4.983 1.00 0.21 H new ATOM 0 HB2 GLU A 84 -11.234 -21.134 -4.481 1.00 0.24 H new ATOM 0 HB3 GLU A 84 -11.584 -20.709 -2.817 1.00 0.24 H new ATOM 0 HG2 GLU A 84 -14.006 -20.203 -3.818 1.00 0.29 H new ATOM 0 HG3 GLU A 84 -13.474 -21.315 -5.063 1.00 0.29 H new ATOM 1312 N VAL A 85 -13.200 -17.677 -2.861 1.00 0.22 N ATOM 1313 CA VAL A 85 -13.559 -16.868 -1.707 1.00 0.22 C ATOM 1314 C VAL A 85 -13.366 -17.689 -0.436 1.00 0.23 C ATOM 1315 O VAL A 85 -13.816 -18.832 -0.349 1.00 0.30 O ATOM 1316 CB VAL A 85 -15.011 -16.352 -1.778 1.00 0.28 C ATOM 1317 CG1 VAL A 85 -15.984 -17.504 -1.961 1.00 1.31 C ATOM 1318 CG2 VAL A 85 -15.358 -15.543 -0.534 1.00 1.19 C ATOM 0 H VAL A 85 -13.938 -17.791 -3.556 1.00 0.22 H new ATOM 0 HA VAL A 85 -12.907 -15.995 -1.700 1.00 0.22 H new ATOM 0 HB VAL A 85 -15.096 -15.696 -2.644 1.00 0.28 H new ATOM 0 HG11 VAL A 85 -17.002 -17.117 -2.008 1.00 1.31 H new ATOM 0 HG12 VAL A 85 -15.753 -18.032 -2.886 1.00 1.31 H new ATOM 0 HG13 VAL A 85 -15.896 -18.191 -1.120 1.00 1.31 H new ATOM 0 HG21 VAL A 85 -16.386 -15.189 -0.605 1.00 1.19 H new ATOM 0 HG22 VAL A 85 -15.251 -16.171 0.350 1.00 1.19 H new ATOM 0 HG23 VAL A 85 -14.685 -14.689 -0.456 1.00 1.19 H new ATOM 1328 N ALA A 86 -12.656 -17.120 0.524 1.00 0.21 N ATOM 1329 CA ALA A 86 -12.359 -17.812 1.769 1.00 0.26 C ATOM 1330 C ALA A 86 -13.218 -17.332 2.915 1.00 0.23 C ATOM 1331 O ALA A 86 -13.415 -18.032 3.906 1.00 0.24 O ATOM 1332 CB ALA A 86 -10.891 -17.636 2.110 1.00 0.33 C ATOM 0 H ALA A 86 -12.273 -16.177 0.465 1.00 0.21 H new ATOM 0 HA ALA A 86 -12.585 -18.868 1.621 1.00 0.26 H new ATOM 0 HB1 ALA A 86 -10.669 -18.155 3.043 1.00 0.33 H new ATOM 0 HB2 ALA A 86 -10.279 -18.052 1.309 1.00 0.33 H new ATOM 0 HB3 ALA A 86 -10.668 -16.575 2.223 1.00 0.33 H new ATOM 1338 N ALA A 87 -13.717 -16.140 2.762 1.00 0.22 N ATOM 1339 CA ALA A 87 -14.560 -15.528 3.772 1.00 0.24 C ATOM 1340 C ALA A 87 -15.172 -14.234 3.258 1.00 0.27 C ATOM 1341 O ALA A 87 -14.648 -13.614 2.332 1.00 0.28 O ATOM 1342 CB ALA A 87 -13.759 -15.280 5.041 1.00 0.24 C ATOM 0 H ALA A 87 -13.557 -15.558 1.939 1.00 0.22 H new ATOM 0 HA ALA A 87 -15.376 -16.213 4.003 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -14.401 -14.820 5.793 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -13.376 -16.227 5.421 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -12.925 -14.614 4.820 1.00 0.24 H new ATOM 1348 N THR A 88 -16.269 -13.821 3.873 1.00 0.32 N ATOM 1349 CA THR A 88 -16.939 -12.593 3.481 1.00 0.37 C ATOM 1350 C THR A 88 -17.298 -11.763 4.707 1.00 0.39 C ATOM 1351 O THR A 88 -17.802 -12.291 5.698 1.00 0.52 O ATOM 1352 CB THR A 88 -18.209 -12.905 2.688 1.00 0.47 C ATOM 1353 OG1 THR A 88 -18.896 -11.711 2.353 1.00 1.49 O ATOM 1354 CG2 THR A 88 -19.175 -13.796 3.436 1.00 1.62 C ATOM 0 H THR A 88 -16.713 -14.318 4.645 1.00 0.32 H new ATOM 0 HA THR A 88 -16.255 -12.023 2.852 1.00 0.37 H new ATOM 0 HB THR A 88 -17.872 -13.431 1.795 1.00 0.47 H new ATOM 0 HG1 THR A 88 -19.705 -11.930 1.845 1.00 1.49 H new ATOM 0 HG21 THR A 88 -20.054 -13.979 2.818 1.00 1.62 H new ATOM 0 HG22 THR A 88 -18.690 -14.745 3.667 1.00 1.62 H new ATOM 0 HG23 THR A 88 -19.478 -13.308 4.362 1.00 1.62 H new ATOM 1362 N LYS A 89 -17.054 -10.461 4.633 1.00 0.30 N ATOM 1363 CA LYS A 89 -17.376 -9.559 5.729 1.00 0.32 C ATOM 1364 C LYS A 89 -18.019 -8.296 5.172 1.00 0.34 C ATOM 1365 O LYS A 89 -17.527 -7.722 4.202 1.00 0.53 O ATOM 1366 CB LYS A 89 -16.117 -9.209 6.528 1.00 0.32 C ATOM 1367 CG LYS A 89 -16.307 -9.306 8.034 1.00 0.52 C ATOM 1368 CD LYS A 89 -16.666 -7.958 8.640 1.00 1.06 C ATOM 1369 CE LYS A 89 -16.237 -7.869 10.096 1.00 1.05 C ATOM 1370 NZ LYS A 89 -17.188 -8.572 11.001 1.00 1.47 N ATOM 0 H LYS A 89 -16.633 -10.006 3.823 1.00 0.30 H new ATOM 0 HA LYS A 89 -18.076 -10.053 6.402 1.00 0.32 H new ATOM 0 HB2 LYS A 89 -15.309 -9.876 6.228 1.00 0.32 H new ATOM 0 HB3 LYS A 89 -15.805 -8.196 6.274 1.00 0.32 H new ATOM 0 HG2 LYS A 89 -17.094 -10.027 8.257 1.00 0.52 H new ATOM 0 HG3 LYS A 89 -15.392 -9.680 8.494 1.00 0.52 H new ATOM 0 HD2 LYS A 89 -16.187 -7.162 8.069 1.00 1.06 H new ATOM 0 HD3 LYS A 89 -17.742 -7.800 8.566 1.00 1.06 H new ATOM 0 HE2 LYS A 89 -15.243 -8.301 10.208 1.00 1.05 H new ATOM 0 HE3 LYS A 89 -16.164 -6.822 10.389 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 -16.859 -8.487 11.984 1.00 1.47 H new ATOM 0 HZ2 LYS A 89 -18.132 -8.143 10.914 1.00 1.47 H new ATOM 0 HZ3 LYS A 89 -17.239 -9.577 10.738 1.00 1.47 H new ATOM 1384 N VAL A 90 -19.120 -7.873 5.776 1.00 0.22 N ATOM 1385 CA VAL A 90 -19.829 -6.684 5.319 1.00 0.23 C ATOM 1386 C VAL A 90 -19.812 -5.590 6.379 1.00 0.21 C ATOM 1387 O VAL A 90 -19.849 -5.877 7.578 1.00 0.26 O ATOM 1388 CB VAL A 90 -21.288 -7.008 4.948 1.00 0.34 C ATOM 1389 CG1 VAL A 90 -21.932 -5.825 4.243 1.00 0.81 C ATOM 1390 CG2 VAL A 90 -21.350 -8.254 4.077 1.00 0.95 C ATOM 0 H VAL A 90 -19.542 -8.334 6.582 1.00 0.22 H new ATOM 0 HA VAL A 90 -19.308 -6.328 4.430 1.00 0.23 H new ATOM 0 HB VAL A 90 -21.845 -7.203 5.864 1.00 0.34 H new ATOM 0 HG11 VAL A 90 -22.963 -6.071 3.988 1.00 0.81 H new ATOM 0 HG12 VAL A 90 -21.918 -4.957 4.902 1.00 0.81 H new ATOM 0 HG13 VAL A 90 -21.377 -5.598 3.333 1.00 0.81 H new ATOM 0 HG21 VAL A 90 -22.388 -8.469 3.824 1.00 0.95 H new ATOM 0 HG22 VAL A 90 -20.780 -8.088 3.163 1.00 0.95 H new ATOM 0 HG23 VAL A 90 -20.926 -9.099 4.620 1.00 0.95 H new ATOM 1400 N GLY A 91 -19.758 -4.338 5.938 1.00 0.23 N ATOM 1401 CA GLY A 91 -19.732 -3.231 6.870 1.00 0.27 C ATOM 1402 C GLY A 91 -18.342 -2.943 7.394 1.00 0.36 C ATOM 1403 O GLY A 91 -17.456 -3.797 7.339 1.00 0.74 O ATOM 0 H GLY A 91 -19.732 -4.072 4.954 1.00 0.23 H new ATOM 0 HA2 GLY A 91 -20.123 -2.339 6.380 1.00 0.27 H new ATOM 0 HA3 GLY A 91 -20.394 -3.451 7.708 1.00 0.27 H new ATOM 1407 N ALA A 92 -18.151 -1.725 7.889 1.00 0.29 N ATOM 1408 CA ALA A 92 -16.859 -1.299 8.409 1.00 0.29 C ATOM 1409 C ALA A 92 -16.481 -2.061 9.672 1.00 0.31 C ATOM 1410 O ALA A 92 -17.338 -2.616 10.361 1.00 0.51 O ATOM 1411 CB ALA A 92 -16.875 0.198 8.680 1.00 0.39 C ATOM 0 H ALA A 92 -18.879 -1.013 7.941 1.00 0.29 H new ATOM 0 HA ALA A 92 -16.105 -1.521 7.654 1.00 0.29 H new ATOM 0 HB1 ALA A 92 -15.905 0.508 9.069 1.00 0.39 H new ATOM 0 HB2 ALA A 92 -17.083 0.733 7.753 1.00 0.39 H new ATOM 0 HB3 ALA A 92 -17.649 0.427 9.412 1.00 0.39 H new ATOM 1417 N LEU A 93 -15.184 -2.083 9.961 1.00 0.31 N ATOM 1418 CA LEU A 93 -14.662 -2.775 11.132 1.00 0.31 C ATOM 1419 C LEU A 93 -13.372 -2.115 11.607 1.00 0.35 C ATOM 1420 O LEU A 93 -12.654 -1.498 10.821 1.00 0.64 O ATOM 1421 CB LEU A 93 -14.406 -4.245 10.802 1.00 0.26 C ATOM 1422 CG LEU A 93 -13.736 -4.498 9.448 1.00 0.30 C ATOM 1423 CD1 LEU A 93 -12.836 -5.722 9.516 1.00 0.33 C ATOM 1424 CD2 LEU A 93 -14.784 -4.663 8.358 1.00 0.40 C ATOM 0 H LEU A 93 -14.470 -1.625 9.394 1.00 0.31 H new ATOM 0 HA LEU A 93 -15.401 -2.714 11.931 1.00 0.31 H new ATOM 0 HB2 LEU A 93 -13.781 -4.674 11.585 1.00 0.26 H new ATOM 0 HB3 LEU A 93 -15.357 -4.778 10.825 1.00 0.26 H new ATOM 0 HG LEU A 93 -13.118 -3.634 9.203 1.00 0.30 H new ATOM 0 HD11 LEU A 93 -12.369 -5.885 8.545 1.00 0.33 H new ATOM 0 HD12 LEU A 93 -12.063 -5.564 10.268 1.00 0.33 H new ATOM 0 HD13 LEU A 93 -13.430 -6.596 9.784 1.00 0.33 H new ATOM 0 HD21 LEU A 93 -14.290 -4.842 7.403 1.00 0.40 H new ATOM 0 HD22 LEU A 93 -15.428 -5.509 8.598 1.00 0.40 H new ATOM 0 HD23 LEU A 93 -15.385 -3.756 8.291 1.00 0.40 H new ATOM 1436 N SER A 94 -13.086 -2.241 12.898 1.00 0.39 N ATOM 1437 CA SER A 94 -11.882 -1.648 13.466 1.00 0.38 C ATOM 1438 C SER A 94 -10.637 -2.401 13.010 1.00 0.33 C ATOM 1439 O SER A 94 -10.725 -3.358 12.240 1.00 0.39 O ATOM 1440 CB SER A 94 -11.962 -1.639 14.994 1.00 0.42 C ATOM 1441 OG SER A 94 -12.766 -0.565 15.455 1.00 0.92 O ATOM 0 H SER A 94 -13.668 -2.745 13.567 1.00 0.39 H new ATOM 0 HA SER A 94 -11.811 -0.620 13.110 1.00 0.38 H new ATOM 0 HB2 SER A 94 -12.375 -2.584 15.346 1.00 0.42 H new ATOM 0 HB3 SER A 94 -10.960 -1.554 15.414 1.00 0.42 H new ATOM 0 HG SER A 94 -12.803 -0.581 16.434 1.00 0.92 H new ATOM 1447 N LYS A 95 -9.477 -1.959 13.485 1.00 0.28 N ATOM 1448 CA LYS A 95 -8.210 -2.587 13.120 1.00 0.25 C ATOM 1449 C LYS A 95 -8.041 -3.942 13.803 1.00 0.22 C ATOM 1450 O LYS A 95 -7.375 -4.830 13.270 1.00 0.20 O ATOM 1451 CB LYS A 95 -7.035 -1.673 13.478 1.00 0.29 C ATOM 1452 CG LYS A 95 -5.671 -2.287 13.195 1.00 0.30 C ATOM 1453 CD LYS A 95 -4.676 -1.247 12.713 1.00 0.32 C ATOM 1454 CE LYS A 95 -3.307 -1.863 12.474 1.00 0.32 C ATOM 1455 NZ LYS A 95 -2.206 -0.950 12.888 1.00 0.82 N ATOM 0 H LYS A 95 -9.387 -1.169 14.123 1.00 0.28 H new ATOM 0 HA LYS A 95 -8.222 -2.748 12.042 1.00 0.25 H new ATOM 0 HB2 LYS A 95 -7.127 -0.742 12.919 1.00 0.29 H new ATOM 0 HB3 LYS A 95 -7.095 -1.417 14.536 1.00 0.29 H new ATOM 0 HG2 LYS A 95 -5.291 -2.762 14.099 1.00 0.30 H new ATOM 0 HG3 LYS A 95 -5.773 -3.069 12.443 1.00 0.30 H new ATOM 0 HD2 LYS A 95 -5.039 -0.793 11.791 1.00 0.32 H new ATOM 0 HD3 LYS A 95 -4.594 -0.449 13.451 1.00 0.32 H new ATOM 0 HE2 LYS A 95 -3.229 -2.799 13.027 1.00 0.32 H new ATOM 0 HE3 LYS A 95 -3.198 -2.107 11.417 1.00 0.32 H new ATOM 0 HZ1 LYS A 95 -1.290 -1.408 12.709 1.00 0.82 H new ATOM 0 HZ2 LYS A 95 -2.264 -0.066 12.343 1.00 0.82 H new ATOM 0 HZ3 LYS A 95 -2.294 -0.738 13.902 1.00 0.82 H new ATOM 1469 N GLY A 96 -8.613 -4.090 14.996 1.00 0.23 N ATOM 1470 CA GLY A 96 -8.487 -5.341 15.714 1.00 0.22 C ATOM 1471 C GLY A 96 -9.402 -6.419 15.175 1.00 0.21 C ATOM 1472 O GLY A 96 -9.059 -7.602 15.201 1.00 0.20 O ATOM 0 H GLY A 96 -9.157 -3.370 15.473 1.00 0.23 H new ATOM 0 HA2 GLY A 96 -7.454 -5.685 15.657 1.00 0.22 H new ATOM 0 HA3 GLY A 96 -8.710 -5.174 16.768 1.00 0.22 H new ATOM 1476 N GLN A 97 -10.564 -6.016 14.675 1.00 0.20 N ATOM 1477 CA GLN A 97 -11.521 -6.969 14.121 1.00 0.19 C ATOM 1478 C GLN A 97 -11.039 -7.481 12.771 1.00 0.19 C ATOM 1479 O GLN A 97 -11.236 -8.647 12.429 1.00 0.19 O ATOM 1480 CB GLN A 97 -12.899 -6.329 13.966 1.00 0.20 C ATOM 1481 CG GLN A 97 -13.352 -5.538 15.181 1.00 0.23 C ATOM 1482 CD GLN A 97 -14.608 -4.737 14.905 1.00 0.57 C ATOM 1483 OE1 GLN A 97 -14.961 -4.495 13.750 1.00 0.90 O ATOM 1484 NE2 GLN A 97 -15.291 -4.313 15.964 1.00 1.29 N ATOM 0 H GLN A 97 -10.866 -5.042 14.641 1.00 0.20 H new ATOM 0 HA GLN A 97 -11.601 -7.806 14.814 1.00 0.19 H new ATOM 0 HB2 GLN A 97 -12.886 -5.668 13.099 1.00 0.20 H new ATOM 0 HB3 GLN A 97 -13.630 -7.111 13.760 1.00 0.20 H new ATOM 0 HG2 GLN A 97 -13.534 -6.221 16.011 1.00 0.23 H new ATOM 0 HG3 GLN A 97 -12.554 -4.864 15.492 1.00 0.23 H new ATOM 0 HE21 GLN A 97 -14.964 -4.535 16.904 1.00 1.29 H new ATOM 0 HE22 GLN A 97 -16.142 -3.765 15.836 1.00 1.29 H new ATOM 1493 N LEU A 98 -10.392 -6.597 12.021 1.00 0.20 N ATOM 1494 CA LEU A 98 -9.857 -6.961 10.715 1.00 0.20 C ATOM 1495 C LEU A 98 -8.692 -7.924 10.896 1.00 0.20 C ATOM 1496 O LEU A 98 -8.623 -8.965 10.241 1.00 0.21 O ATOM 1497 CB LEU A 98 -9.421 -5.727 9.922 1.00 0.22 C ATOM 1498 CG LEU A 98 -9.786 -5.769 8.436 1.00 0.19 C ATOM 1499 CD1 LEU A 98 -10.023 -4.368 7.897 1.00 0.37 C ATOM 1500 CD2 LEU A 98 -8.697 -6.474 7.640 1.00 0.31 C ATOM 0 H LEU A 98 -10.226 -5.628 12.293 1.00 0.20 H new ATOM 0 HA LEU A 98 -10.645 -7.450 10.142 1.00 0.20 H new ATOM 0 HB2 LEU A 98 -9.875 -4.843 10.370 1.00 0.22 H new ATOM 0 HB3 LEU A 98 -8.341 -5.613 10.015 1.00 0.22 H new ATOM 0 HG LEU A 98 -10.712 -6.333 8.328 1.00 0.19 H new ATOM 0 HD11 LEU A 98 -10.281 -4.424 6.839 1.00 0.37 H new ATOM 0 HD12 LEU A 98 -10.841 -3.901 8.446 1.00 0.37 H new ATOM 0 HD13 LEU A 98 -9.118 -3.773 8.019 1.00 0.37 H new ATOM 0 HD21 LEU A 98 -8.973 -6.495 6.586 1.00 0.31 H new ATOM 0 HD22 LEU A 98 -7.755 -5.938 7.758 1.00 0.31 H new ATOM 0 HD23 LEU A 98 -8.582 -7.495 8.005 1.00 0.31 H new ATOM 1512 N LYS A 99 -7.786 -7.572 11.801 1.00 0.20 N ATOM 1513 CA LYS A 99 -6.625 -8.407 12.087 1.00 0.20 C ATOM 1514 C LYS A 99 -7.064 -9.779 12.596 1.00 0.18 C ATOM 1515 O LYS A 99 -6.524 -10.806 12.184 1.00 0.17 O ATOM 1516 CB LYS A 99 -5.734 -7.730 13.129 1.00 0.22 C ATOM 1517 CG LYS A 99 -4.255 -8.024 12.950 1.00 0.27 C ATOM 1518 CD LYS A 99 -3.450 -7.581 14.161 1.00 0.46 C ATOM 1519 CE LYS A 99 -3.602 -8.554 15.320 1.00 0.70 C ATOM 1520 NZ LYS A 99 -2.578 -8.326 16.376 1.00 1.04 N ATOM 0 H LYS A 99 -7.833 -6.713 12.350 1.00 0.20 H new ATOM 0 HA LYS A 99 -6.060 -8.539 11.164 1.00 0.20 H new ATOM 0 HB2 LYS A 99 -5.890 -6.652 13.082 1.00 0.22 H new ATOM 0 HB3 LYS A 99 -6.042 -8.054 14.123 1.00 0.22 H new ATOM 0 HG2 LYS A 99 -4.112 -9.092 12.787 1.00 0.27 H new ATOM 0 HG3 LYS A 99 -3.886 -7.514 12.060 1.00 0.27 H new ATOM 0 HD2 LYS A 99 -2.398 -7.499 13.889 1.00 0.46 H new ATOM 0 HD3 LYS A 99 -3.777 -6.589 14.473 1.00 0.46 H new ATOM 0 HE2 LYS A 99 -4.598 -8.451 15.752 1.00 0.70 H new ATOM 0 HE3 LYS A 99 -3.519 -9.576 14.949 1.00 0.70 H new ATOM 0 HZ1 LYS A 99 -2.717 -9.010 17.147 1.00 1.04 H new ATOM 0 HZ2 LYS A 99 -1.628 -8.449 15.971 1.00 1.04 H new ATOM 0 HZ3 LYS A 99 -2.673 -7.360 16.749 1.00 1.04 H new ATOM 1534 N GLU A 100 -8.054 -9.787 13.487 1.00 0.17 N ATOM 1535 CA GLU A 100 -8.568 -11.033 14.042 1.00 0.16 C ATOM 1536 C GLU A 100 -9.141 -11.914 12.934 1.00 0.15 C ATOM 1537 O GLU A 100 -8.923 -13.126 12.912 1.00 0.15 O ATOM 1538 CB GLU A 100 -9.624 -10.751 15.129 1.00 0.18 C ATOM 1539 CG GLU A 100 -11.062 -10.636 14.629 1.00 0.20 C ATOM 1540 CD GLU A 100 -12.064 -11.221 15.604 1.00 0.93 C ATOM 1541 OE1 GLU A 100 -11.945 -12.421 15.929 1.00 1.66 O ATOM 1542 OE2 GLU A 100 -12.969 -10.479 16.039 1.00 1.71 O ATOM 0 H GLU A 100 -8.513 -8.947 13.838 1.00 0.17 H new ATOM 0 HA GLU A 100 -7.743 -11.570 14.510 1.00 0.16 H new ATOM 0 HB2 GLU A 100 -9.578 -11.547 15.872 1.00 0.18 H new ATOM 0 HB3 GLU A 100 -9.359 -9.824 15.638 1.00 0.18 H new ATOM 0 HG2 GLU A 100 -11.300 -9.587 14.455 1.00 0.20 H new ATOM 0 HG3 GLU A 100 -11.152 -11.147 13.670 1.00 0.20 H new ATOM 1549 N PHE A 101 -9.855 -11.288 12.002 1.00 0.15 N ATOM 1550 CA PHE A 101 -10.453 -11.993 10.875 1.00 0.17 C ATOM 1551 C PHE A 101 -9.379 -12.661 10.025 1.00 0.16 C ATOM 1552 O PHE A 101 -9.527 -13.806 9.587 1.00 0.16 O ATOM 1553 CB PHE A 101 -11.257 -11.006 10.029 1.00 0.21 C ATOM 1554 CG PHE A 101 -12.226 -11.654 9.086 1.00 0.19 C ATOM 1555 CD1 PHE A 101 -13.068 -12.666 9.520 1.00 0.21 C ATOM 1556 CD2 PHE A 101 -12.298 -11.246 7.766 1.00 0.21 C ATOM 1557 CE1 PHE A 101 -13.965 -13.257 8.652 1.00 0.23 C ATOM 1558 CE2 PHE A 101 -13.190 -11.835 6.892 1.00 0.24 C ATOM 1559 CZ PHE A 101 -14.025 -12.842 7.336 1.00 0.24 C ATOM 0 H PHE A 101 -10.034 -10.284 12.007 1.00 0.15 H new ATOM 0 HA PHE A 101 -11.116 -12.770 11.255 1.00 0.17 H new ATOM 0 HB2 PHE A 101 -11.805 -10.337 10.693 1.00 0.21 H new ATOM 0 HB3 PHE A 101 -10.566 -10.389 9.455 1.00 0.21 H new ATOM 0 HD1 PHE A 101 -13.022 -12.996 10.547 1.00 0.21 H new ATOM 0 HD2 PHE A 101 -11.649 -10.457 7.415 1.00 0.21 H new ATOM 0 HE1 PHE A 101 -14.619 -14.042 9.002 1.00 0.23 H new ATOM 0 HE2 PHE A 101 -13.235 -11.509 5.863 1.00 0.24 H new ATOM 0 HZ PHE A 101 -14.724 -13.304 6.655 1.00 0.24 H new ATOM 1569 N LEU A 102 -8.287 -11.936 9.811 1.00 0.18 N ATOM 1570 CA LEU A 102 -7.176 -12.446 9.024 1.00 0.20 C ATOM 1571 C LEU A 102 -6.481 -13.574 9.770 1.00 0.19 C ATOM 1572 O LEU A 102 -6.373 -14.679 9.263 1.00 0.20 O ATOM 1573 CB LEU A 102 -6.187 -11.325 8.705 1.00 0.26 C ATOM 1574 CG LEU A 102 -6.410 -10.645 7.353 1.00 0.30 C ATOM 1575 CD1 LEU A 102 -5.577 -9.377 7.245 1.00 0.46 C ATOM 1576 CD2 LEU A 102 -6.085 -11.607 6.217 1.00 0.21 C ATOM 0 H LEU A 102 -8.149 -10.992 10.173 1.00 0.18 H new ATOM 0 HA LEU A 102 -7.564 -12.837 8.084 1.00 0.20 H new ATOM 0 HB2 LEU A 102 -6.247 -10.571 9.490 1.00 0.26 H new ATOM 0 HB3 LEU A 102 -5.176 -11.732 8.730 1.00 0.26 H new ATOM 0 HG LEU A 102 -7.460 -10.364 7.275 1.00 0.30 H new ATOM 0 HD11 LEU A 102 -5.750 -8.909 6.276 1.00 0.46 H new ATOM 0 HD12 LEU A 102 -5.862 -8.686 8.038 1.00 0.46 H new ATOM 0 HD13 LEU A 102 -4.520 -9.626 7.344 1.00 0.46 H new ATOM 0 HD21 LEU A 102 -6.248 -11.110 5.261 1.00 0.21 H new ATOM 0 HD22 LEU A 102 -5.043 -11.918 6.291 1.00 0.21 H new ATOM 0 HD23 LEU A 102 -6.731 -12.482 6.285 1.00 0.21 H new ATOM 1588 N ASP A 103 -6.022 -13.298 10.986 1.00 0.21 N ATOM 1589 CA ASP A 103 -5.351 -14.318 11.788 1.00 0.24 C ATOM 1590 C ASP A 103 -6.176 -15.602 11.844 1.00 0.21 C ATOM 1591 O ASP A 103 -5.630 -16.706 11.834 1.00 0.23 O ATOM 1592 CB ASP A 103 -5.103 -13.799 13.206 1.00 0.28 C ATOM 1593 CG ASP A 103 -3.779 -14.273 13.768 1.00 0.33 C ATOM 1594 OD1 ASP A 103 -2.735 -13.990 13.144 1.00 1.18 O ATOM 1595 OD2 ASP A 103 -3.784 -14.928 14.832 1.00 1.00 O ATOM 0 H ASP A 103 -6.100 -12.386 11.436 1.00 0.21 H new ATOM 0 HA ASP A 103 -4.395 -14.543 11.315 1.00 0.24 H new ATOM 0 HB2 ASP A 103 -5.124 -12.709 13.200 1.00 0.28 H new ATOM 0 HB3 ASP A 103 -5.911 -14.130 13.858 1.00 0.28 H new ATOM 1600 N ALA A 104 -7.496 -15.445 11.900 1.00 0.17 N ATOM 1601 CA ALA A 104 -8.405 -16.585 11.953 1.00 0.18 C ATOM 1602 C ALA A 104 -8.503 -17.305 10.609 1.00 0.17 C ATOM 1603 O ALA A 104 -8.930 -18.457 10.548 1.00 0.19 O ATOM 1604 CB ALA A 104 -9.786 -16.138 12.408 1.00 0.19 C ATOM 0 H ALA A 104 -7.960 -14.537 11.910 1.00 0.17 H new ATOM 0 HA ALA A 104 -7.997 -17.292 12.675 1.00 0.18 H new ATOM 0 HB1 ALA A 104 -10.454 -16.999 12.443 1.00 0.19 H new ATOM 0 HB2 ALA A 104 -9.716 -15.693 13.400 1.00 0.19 H new ATOM 0 HB3 ALA A 104 -10.179 -15.402 11.707 1.00 0.19 H new ATOM 1610 N ASN A 105 -8.128 -16.622 9.527 1.00 0.17 N ATOM 1611 CA ASN A 105 -8.208 -17.218 8.195 1.00 0.21 C ATOM 1612 C ASN A 105 -6.821 -17.531 7.626 1.00 0.26 C ATOM 1613 O ASN A 105 -6.627 -18.552 6.969 1.00 0.48 O ATOM 1614 CB ASN A 105 -8.959 -16.277 7.254 1.00 0.25 C ATOM 1615 CG ASN A 105 -9.851 -17.024 6.285 1.00 0.34 C ATOM 1616 OD1 ASN A 105 -10.334 -18.116 6.582 1.00 0.84 O ATOM 1617 ND2 ASN A 105 -10.078 -16.436 5.120 1.00 0.54 N ATOM 0 H ASN A 105 -7.770 -15.667 9.546 1.00 0.17 H new ATOM 0 HA ASN A 105 -8.748 -18.161 8.282 1.00 0.21 H new ATOM 0 HB2 ASN A 105 -9.563 -15.586 7.841 1.00 0.25 H new ATOM 0 HB3 ASN A 105 -8.241 -15.677 6.695 1.00 0.25 H new ATOM 0 HD21 ASN A 105 -10.674 -16.889 4.427 1.00 0.54 H new ATOM 0 HD22 ASN A 105 -9.657 -15.530 4.915 1.00 0.54 H new ATOM 1624 N LEU A 106 -5.860 -16.657 7.898 1.00 0.21 N ATOM 1625 CA LEU A 106 -4.489 -16.843 7.431 1.00 0.23 C ATOM 1626 C LEU A 106 -3.824 -17.967 8.207 1.00 0.33 C ATOM 1627 O LEU A 106 -3.284 -17.756 9.294 1.00 1.04 O ATOM 1628 CB LEU A 106 -3.696 -15.554 7.613 1.00 0.22 C ATOM 1629 CG LEU A 106 -2.291 -15.547 7.005 1.00 0.31 C ATOM 1630 CD1 LEU A 106 -1.335 -16.375 7.850 1.00 1.27 C ATOM 1631 CD2 LEU A 106 -2.324 -16.064 5.576 1.00 1.33 C ATOM 0 H LEU A 106 -6.005 -15.807 8.443 1.00 0.21 H new ATOM 0 HA LEU A 106 -4.510 -17.103 6.373 1.00 0.23 H new ATOM 0 HB2 LEU A 106 -4.265 -14.734 7.175 1.00 0.22 H new ATOM 0 HB3 LEU A 106 -3.611 -15.349 8.680 1.00 0.22 H new ATOM 0 HG LEU A 106 -1.931 -14.518 6.990 1.00 0.31 H new ATOM 0 HD11 LEU A 106 -0.342 -16.357 7.400 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -1.285 -15.959 8.856 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -1.692 -17.404 7.900 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -1.316 -16.051 5.161 1.00 1.33 H new ATOM 0 HD22 LEU A 106 -2.707 -17.084 5.567 1.00 1.33 H new ATOM 0 HD23 LEU A 106 -2.972 -15.428 4.974 1.00 1.33 H new ATOM 1643 N VAL A 107 -3.876 -19.160 7.646 1.00 0.76 N ATOM 1644 CA VAL A 107 -3.293 -20.330 8.286 1.00 0.82 C ATOM 1645 C VAL A 107 -3.335 -21.541 7.357 1.00 1.28 C ATOM 1646 O VAL A 107 -2.473 -22.432 7.511 1.00 1.90 O ATOM 1647 CB VAL A 107 -4.034 -20.658 9.600 1.00 1.10 C ATOM 1648 CG1 VAL A 107 -5.537 -20.681 9.371 1.00 1.14 C ATOM 1649 CG2 VAL A 107 -3.554 -21.978 10.189 1.00 2.01 C ATOM 0 H VAL A 107 -4.317 -19.348 6.746 1.00 0.76 H new ATOM 0 HA VAL A 107 -2.252 -20.099 8.512 1.00 0.82 H new ATOM 0 HB VAL A 107 -3.807 -19.873 10.321 1.00 1.10 H new ATOM 0 HG11 VAL A 107 -6.044 -20.914 10.307 1.00 1.14 H new ATOM 0 HG12 VAL A 107 -5.865 -19.705 9.013 1.00 1.14 H new ATOM 0 HG13 VAL A 107 -5.780 -21.441 8.628 1.00 1.14 H new ATOM 0 HG21 VAL A 107 -4.094 -22.182 11.114 1.00 2.01 H new ATOM 0 HG22 VAL A 107 -3.738 -22.782 9.477 1.00 2.01 H new ATOM 0 HG23 VAL A 107 -2.486 -21.916 10.399 1.00 2.01 H new TER 1659 VAL A 107