USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 833 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 28 ASN : amide:sc= -0.0234 X(o=0.5,f=0.52) USER MOD Set 1.2: A 48 MET CE :methyl 148:sc= 0 (180deg=-0.929) USER MOD Set 1.3: A 58 ASN : amide:sc= 0.523 K(o=0.5,f=-4.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 154:sc= 0 (180deg=-0.205) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0973 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.0367 X(o=0.037,f=-0.0007) USER MOD Single : A 30 MET CE :methyl 161:sc= -0.028 (180deg=-1.13) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -161:sc= -0.31 (180deg=-1.46) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.24) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= 0.565 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 7:sc= 0.868 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 78 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.04) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 100 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.16) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0273) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.611 8.460 -23.121 1.00 0.00 N ATOM 2 CA GLY A 1 -5.002 7.099 -23.524 1.00 0.00 C ATOM 3 C GLY A 1 -4.619 6.085 -22.465 1.00 0.00 C ATOM 4 O GLY A 1 -5.267 6.004 -21.419 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.885 9.134 -23.864 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.090 8.710 -22.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.581 8.498 -22.981 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.078 7.062 -23.695 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.520 6.843 -24.468 1.00 0.00 H new ATOM 10 N SER A 2 -3.556 5.312 -22.721 1.00 0.00 N ATOM 11 CA SER A 2 -2.986 4.313 -21.799 1.00 0.00 C ATOM 12 C SER A 2 -2.531 4.922 -20.461 1.00 0.00 C ATOM 13 O SER A 2 -2.059 6.063 -20.411 1.00 0.00 O ATOM 14 CB SER A 2 -1.788 3.622 -22.468 1.00 0.00 C ATOM 15 OG SER A 2 -2.144 3.092 -23.740 1.00 0.00 O ATOM 0 H SER A 2 -3.050 5.364 -23.605 1.00 0.00 H new ATOM 0 HA SER A 2 -3.777 3.596 -21.579 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.972 4.335 -22.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.422 2.820 -21.826 1.00 0.00 H new ATOM 0 HG SER A 2 -1.363 2.659 -24.144 1.00 0.00 H new ATOM 21 N ALA A 3 -2.654 4.152 -19.377 1.00 0.00 N ATOM 22 CA ALA A 3 -2.344 4.552 -17.998 1.00 0.00 C ATOM 23 C ALA A 3 -1.898 3.351 -17.132 1.00 0.00 C ATOM 24 O ALA A 3 -1.755 2.226 -17.625 1.00 0.00 O ATOM 25 CB ALA A 3 -3.593 5.242 -17.420 1.00 0.00 C ATOM 0 H ALA A 3 -2.987 3.190 -19.437 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.501 5.242 -17.994 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.395 5.552 -16.394 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.837 6.117 -18.023 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.432 4.546 -17.434 1.00 0.00 H new ATOM 31 N MET A 4 -1.689 3.584 -15.830 1.00 0.00 N ATOM 32 CA MET A 4 -1.485 2.548 -14.806 1.00 0.00 C ATOM 33 C MET A 4 -2.722 1.632 -14.648 1.00 0.00 C ATOM 34 O MET A 4 -3.778 1.871 -15.243 1.00 0.00 O ATOM 35 CB MET A 4 -1.123 3.211 -13.461 1.00 0.00 C ATOM 36 CG MET A 4 0.229 3.941 -13.456 1.00 0.00 C ATOM 37 SD MET A 4 0.242 5.655 -14.072 1.00 0.00 S ATOM 38 CE MET A 4 1.100 5.472 -15.660 1.00 0.00 C ATOM 0 H MET A 4 -1.656 4.529 -15.447 1.00 0.00 H new ATOM 0 HA MET A 4 -0.661 1.913 -15.131 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.907 3.921 -13.198 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.112 2.446 -12.684 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.609 3.945 -12.434 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.931 3.360 -14.055 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.793 6.272 -16.334 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.177 5.526 -15.500 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.846 4.508 -16.102 1.00 0.00 H new ATOM 48 N ALA A 5 -2.600 0.578 -13.831 1.00 0.00 N ATOM 49 CA ALA A 5 -3.658 -0.402 -13.563 1.00 0.00 C ATOM 50 C ALA A 5 -4.981 0.228 -13.068 1.00 0.00 C ATOM 51 O ALA A 5 -4.996 1.263 -12.395 1.00 0.00 O ATOM 52 CB ALA A 5 -3.112 -1.429 -12.561 1.00 0.00 C ATOM 0 H ALA A 5 -1.738 0.379 -13.324 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.922 -0.886 -14.503 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.881 -2.170 -12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.240 -1.925 -12.987 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.827 -0.922 -11.639 1.00 0.00 H new ATOM 58 N ASP A 6 -6.103 -0.435 -13.372 1.00 0.00 N ATOM 59 CA ASP A 6 -7.478 0.070 -13.194 1.00 0.00 C ATOM 60 C ASP A 6 -7.890 0.345 -11.729 1.00 0.00 C ATOM 61 O ASP A 6 -8.875 1.045 -11.483 1.00 0.00 O ATOM 62 CB ASP A 6 -8.440 -0.927 -13.861 1.00 0.00 C ATOM 63 CG ASP A 6 -9.885 -0.404 -13.947 1.00 0.00 C ATOM 64 OD1 ASP A 6 -10.130 0.587 -14.678 1.00 0.00 O ATOM 65 OD2 ASP A 6 -10.791 -1.009 -13.322 1.00 0.00 O ATOM 0 H ASP A 6 -6.082 -1.376 -13.765 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.526 1.050 -13.668 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.081 -1.153 -14.865 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.431 -1.862 -13.301 1.00 0.00 H new ATOM 70 N ILE A 7 -7.120 -0.152 -10.752 1.00 0.00 N ATOM 71 CA ILE A 7 -7.249 0.179 -9.323 1.00 0.00 C ATOM 72 C ILE A 7 -7.211 1.700 -9.070 1.00 0.00 C ATOM 73 O ILE A 7 -8.049 2.217 -8.330 1.00 0.00 O ATOM 74 CB ILE A 7 -6.193 -0.599 -8.495 1.00 0.00 C ATOM 75 CG1 ILE A 7 -6.317 -0.390 -6.969 1.00 0.00 C ATOM 76 CG2 ILE A 7 -4.739 -0.286 -8.905 1.00 0.00 C ATOM 77 CD1 ILE A 7 -7.665 -0.825 -6.384 1.00 0.00 C ATOM 0 H ILE A 7 -6.367 -0.815 -10.937 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.234 -0.144 -8.985 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.418 -1.640 -8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.521 -0.945 -6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.159 0.665 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.054 -0.864 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.592 -0.550 -9.952 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.543 0.777 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.670 -0.645 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.466 -0.253 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.819 -1.887 -6.575 1.00 0.00 H new ATOM 89 N GLY A 8 -6.291 2.424 -9.720 1.00 0.00 N ATOM 90 CA GLY A 8 -6.083 3.872 -9.595 1.00 0.00 C ATOM 91 C GLY A 8 -5.763 4.332 -8.164 1.00 0.00 C ATOM 92 O GLY A 8 -4.604 4.306 -7.748 1.00 0.00 O ATOM 0 H GLY A 8 -5.641 1.996 -10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.267 4.171 -10.253 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.978 4.389 -9.941 1.00 0.00 H new ATOM 96 N SER A 9 -6.791 4.750 -7.416 1.00 0.00 N ATOM 97 CA SER A 9 -6.736 5.227 -6.019 1.00 0.00 C ATOM 98 C SER A 9 -5.732 6.370 -5.758 1.00 0.00 C ATOM 99 O SER A 9 -5.181 6.493 -4.665 1.00 0.00 O ATOM 100 CB SER A 9 -6.532 4.051 -5.049 1.00 0.00 C ATOM 101 OG SER A 9 -7.530 3.054 -5.215 1.00 0.00 O ATOM 0 H SER A 9 -7.741 4.767 -7.786 1.00 0.00 H new ATOM 0 HA SER A 9 -7.709 5.680 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.548 3.611 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.551 4.418 -4.023 1.00 0.00 H new ATOM 0 HG SER A 9 -7.283 2.255 -4.704 1.00 0.00 H new ATOM 107 N GLU A 10 -5.482 7.222 -6.756 1.00 0.00 N ATOM 108 CA GLU A 10 -4.528 8.344 -6.674 1.00 0.00 C ATOM 109 C GLU A 10 -4.990 9.486 -5.745 1.00 0.00 C ATOM 110 O GLU A 10 -4.163 10.252 -5.243 1.00 0.00 O ATOM 111 CB GLU A 10 -4.294 8.916 -8.086 1.00 0.00 C ATOM 112 CG GLU A 10 -3.617 7.946 -9.068 1.00 0.00 C ATOM 113 CD GLU A 10 -2.107 7.801 -8.793 1.00 0.00 C ATOM 114 OE1 GLU A 10 -1.713 7.037 -7.875 1.00 0.00 O ATOM 115 OE2 GLU A 10 -1.293 8.449 -9.497 1.00 0.00 O ATOM 0 H GLU A 10 -5.943 7.154 -7.663 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.610 7.939 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.253 9.223 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.681 9.814 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.093 6.968 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.767 8.300 -10.088 1.00 0.00 H new ATOM 122 N PHE A 11 -6.301 9.622 -5.515 1.00 0.00 N ATOM 123 CA PHE A 11 -6.916 10.751 -4.805 1.00 0.00 C ATOM 124 C PHE A 11 -6.952 10.522 -3.276 1.00 0.00 C ATOM 125 O PHE A 11 -8.011 10.367 -2.664 1.00 0.00 O ATOM 126 CB PHE A 11 -8.289 11.071 -5.445 1.00 0.00 C ATOM 127 CG PHE A 11 -8.549 12.553 -5.673 1.00 0.00 C ATOM 128 CD1 PHE A 11 -8.371 13.489 -4.634 1.00 0.00 C ATOM 129 CD2 PHE A 11 -8.956 13.002 -6.946 1.00 0.00 C ATOM 130 CE1 PHE A 11 -8.577 14.861 -4.873 1.00 0.00 C ATOM 131 CE2 PHE A 11 -9.170 14.372 -7.183 1.00 0.00 C ATOM 132 CZ PHE A 11 -8.975 15.302 -6.148 1.00 0.00 C ATOM 0 H PHE A 11 -6.983 8.931 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.299 11.642 -4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.360 10.551 -6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.076 10.671 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.076 13.152 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.104 12.290 -7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.429 15.576 -4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.484 14.709 -8.160 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.131 16.355 -6.331 1.00 0.00 H new ATOM 142 N GLU A 12 -5.774 10.485 -2.645 1.00 0.00 N ATOM 143 CA GLU A 12 -5.585 10.194 -1.212 1.00 0.00 C ATOM 144 C GLU A 12 -4.647 11.203 -0.523 1.00 0.00 C ATOM 145 O GLU A 12 -3.586 11.550 -1.052 1.00 0.00 O ATOM 146 CB GLU A 12 -5.045 8.763 -1.028 1.00 0.00 C ATOM 147 CG GLU A 12 -6.045 7.686 -1.472 1.00 0.00 C ATOM 148 CD GLU A 12 -5.582 6.262 -1.098 1.00 0.00 C ATOM 149 OE1 GLU A 12 -4.379 5.933 -1.237 1.00 0.00 O ATOM 150 OE2 GLU A 12 -6.435 5.464 -0.639 1.00 0.00 O ATOM 0 H GLU A 12 -4.894 10.662 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.561 10.284 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.122 8.652 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.793 8.607 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.014 7.882 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.186 7.748 -2.551 1.00 0.00 H new ATOM 157 N LYS A 13 -5.030 11.651 0.682 1.00 0.00 N ATOM 158 CA LYS A 13 -4.270 12.556 1.569 1.00 0.00 C ATOM 159 C LYS A 13 -4.475 12.230 3.058 1.00 0.00 C ATOM 160 O LYS A 13 -5.337 11.420 3.409 1.00 0.00 O ATOM 161 CB LYS A 13 -4.636 14.022 1.249 1.00 0.00 C ATOM 162 CG LYS A 13 -6.112 14.370 1.531 1.00 0.00 C ATOM 163 CD LYS A 13 -6.446 15.849 1.283 1.00 0.00 C ATOM 164 CE LYS A 13 -5.725 16.778 2.272 1.00 0.00 C ATOM 165 NZ LYS A 13 -6.151 18.192 2.101 1.00 0.00 N ATOM 0 H LYS A 13 -5.925 11.380 1.089 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.208 12.406 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.998 14.683 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.420 14.220 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.751 13.750 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.345 14.121 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.166 16.117 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.523 15.996 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.932 16.456 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.648 16.701 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.645 18.792 2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.931 18.506 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.175 18.268 2.265 1.00 0.00 H new ATOM 179 N THR A 14 -3.700 12.871 3.932 1.00 0.00 N ATOM 180 CA THR A 14 -3.862 12.868 5.402 1.00 0.00 C ATOM 181 C THR A 14 -4.967 13.829 5.886 1.00 0.00 C ATOM 182 O THR A 14 -5.303 14.786 5.177 1.00 0.00 O ATOM 183 CB THR A 14 -2.535 13.261 6.086 1.00 0.00 C ATOM 184 OG1 THR A 14 -1.870 14.301 5.390 1.00 0.00 O ATOM 185 CG2 THR A 14 -1.581 12.069 6.144 1.00 0.00 C ATOM 0 H THR A 14 -2.905 13.434 3.631 1.00 0.00 H new ATOM 0 HA THR A 14 -4.153 11.854 5.675 1.00 0.00 H new ATOM 0 HB THR A 14 -2.797 13.598 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.036 14.523 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.653 12.369 6.630 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.043 11.261 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.366 11.725 5.132 1.00 0.00 H new ATOM 193 N PRO A 15 -5.511 13.628 7.106 1.00 0.00 N ATOM 194 CA PRO A 15 -6.438 14.567 7.748 1.00 0.00 C ATOM 195 C PRO A 15 -5.740 15.847 8.254 1.00 0.00 C ATOM 196 O PRO A 15 -4.510 15.963 8.234 1.00 0.00 O ATOM 197 CB PRO A 15 -7.068 13.769 8.898 1.00 0.00 C ATOM 198 CG PRO A 15 -5.943 12.824 9.310 1.00 0.00 C ATOM 199 CD PRO A 15 -5.294 12.472 7.973 1.00 0.00 C ATOM 0 HA PRO A 15 -7.183 14.932 7.041 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.374 14.417 9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.955 13.225 8.574 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.238 13.305 9.988 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.324 11.939 9.821 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.230 12.271 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.741 11.574 7.546 1.00 0.00 H new ATOM 207 N SER A 16 -6.540 16.797 8.749 1.00 0.00 N ATOM 208 CA SER A 16 -6.124 18.100 9.299 1.00 0.00 C ATOM 209 C SER A 16 -6.532 18.252 10.781 1.00 0.00 C ATOM 210 O SER A 16 -6.907 17.276 11.435 1.00 0.00 O ATOM 211 CB SER A 16 -6.695 19.211 8.405 1.00 0.00 C ATOM 212 OG SER A 16 -6.058 20.454 8.661 1.00 0.00 O ATOM 0 H SER A 16 -7.552 16.675 8.780 1.00 0.00 H new ATOM 0 HA SER A 16 -5.037 18.174 9.294 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.564 18.941 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.767 19.306 8.578 1.00 0.00 H new ATOM 0 HG SER A 16 -6.439 21.143 8.078 1.00 0.00 H new ATOM 218 N LEU A 17 -6.435 19.467 11.334 1.00 0.00 N ATOM 219 CA LEU A 17 -6.919 19.852 12.666 1.00 0.00 C ATOM 220 C LEU A 17 -8.447 19.667 12.785 1.00 0.00 C ATOM 221 O LEU A 17 -9.226 20.516 12.340 1.00 0.00 O ATOM 222 CB LEU A 17 -6.512 21.310 12.969 1.00 0.00 C ATOM 223 CG LEU A 17 -5.004 21.555 13.163 1.00 0.00 C ATOM 224 CD1 LEU A 17 -4.754 23.054 13.336 1.00 0.00 C ATOM 225 CD2 LEU A 17 -4.452 20.839 14.400 1.00 0.00 C ATOM 0 H LEU A 17 -5.996 20.245 10.842 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.457 19.197 13.404 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.862 21.943 12.154 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.033 21.634 13.870 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.498 21.162 12.281 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.687 23.231 13.474 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.099 23.585 12.449 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.298 23.415 14.209 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.385 21.043 14.493 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.969 21.199 15.290 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.609 19.765 14.299 1.00 0.00 H new ATOM 237 N THR A 18 -8.876 18.552 13.382 1.00 0.00 N ATOM 238 CA THR A 18 -10.289 18.163 13.558 1.00 0.00 C ATOM 239 C THR A 18 -10.487 17.485 14.919 1.00 0.00 C ATOM 240 O THR A 18 -9.746 16.562 15.268 1.00 0.00 O ATOM 241 CB THR A 18 -10.745 17.212 12.428 1.00 0.00 C ATOM 242 OG1 THR A 18 -10.360 17.681 11.148 1.00 0.00 O ATOM 243 CG2 THR A 18 -12.266 17.056 12.382 1.00 0.00 C ATOM 0 H THR A 18 -8.230 17.866 13.772 1.00 0.00 H new ATOM 0 HA THR A 18 -10.896 19.067 13.516 1.00 0.00 H new ATOM 0 HB THR A 18 -10.264 16.261 12.656 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.666 17.051 10.463 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.538 16.379 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.619 16.649 13.330 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.727 18.029 12.211 1.00 0.00 H new ATOM 251 N ARG A 19 -11.480 17.932 15.706 1.00 0.00 N ATOM 252 CA ARG A 19 -11.788 17.398 17.055 1.00 0.00 C ATOM 253 C ARG A 19 -12.420 15.995 17.045 1.00 0.00 C ATOM 254 O ARG A 19 -12.362 15.285 18.052 1.00 0.00 O ATOM 255 CB ARG A 19 -12.710 18.371 17.816 1.00 0.00 C ATOM 256 CG ARG A 19 -12.081 19.761 18.000 1.00 0.00 C ATOM 257 CD ARG A 19 -12.941 20.638 18.922 1.00 0.00 C ATOM 258 NE ARG A 19 -12.409 22.013 19.012 1.00 0.00 N ATOM 259 CZ ARG A 19 -11.380 22.445 19.722 1.00 0.00 C ATOM 260 NH1 ARG A 19 -10.685 21.657 20.494 1.00 0.00 N ATOM 261 NH2 ARG A 19 -11.021 23.696 19.663 1.00 0.00 N ATOM 0 H ARG A 19 -12.105 18.687 15.423 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.827 17.303 17.561 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.651 18.471 17.276 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.947 17.951 18.794 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.080 19.658 18.420 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.972 20.246 17.030 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -13.964 20.666 18.548 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.977 20.195 19.917 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.896 22.717 18.457 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.928 20.669 20.566 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.898 22.028 21.026 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.534 24.346 19.068 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.227 24.025 20.212 1.00 0.00 H new ATOM 275 N ARG A 20 -13.030 15.602 15.921 1.00 0.00 N ATOM 276 CA ARG A 20 -13.687 14.304 15.679 1.00 0.00 C ATOM 277 C ARG A 20 -12.691 13.131 15.769 1.00 0.00 C ATOM 278 O ARG A 20 -11.506 13.288 15.463 1.00 0.00 O ATOM 279 CB ARG A 20 -14.356 14.363 14.286 1.00 0.00 C ATOM 280 CG ARG A 20 -15.542 13.409 14.049 1.00 0.00 C ATOM 281 CD ARG A 20 -16.871 13.913 14.635 1.00 0.00 C ATOM 282 NE ARG A 20 -16.989 13.685 16.092 1.00 0.00 N ATOM 283 CZ ARG A 20 -17.635 14.427 16.975 1.00 0.00 C ATOM 284 NH1 ARG A 20 -18.253 15.527 16.646 1.00 0.00 N ATOM 285 NH2 ARG A 20 -17.680 14.071 18.227 1.00 0.00 N ATOM 0 H ARG A 20 -13.084 16.214 15.106 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.436 14.125 16.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.700 15.383 14.117 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.595 14.154 13.534 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.664 13.255 12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.308 12.438 14.486 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.969 14.979 14.431 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -17.697 13.414 14.128 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.517 12.858 16.458 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.249 15.844 15.676 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.740 16.071 17.358 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.215 13.215 18.531 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.180 14.648 18.904 1.00 0.00 H new ATOM 299 N ILE A 21 -13.190 11.949 16.131 1.00 0.00 N ATOM 300 CA ILE A 21 -12.456 10.667 16.142 1.00 0.00 C ATOM 301 C ILE A 21 -12.903 9.766 14.974 1.00 0.00 C ATOM 302 O ILE A 21 -13.760 10.150 14.176 1.00 0.00 O ATOM 303 CB ILE A 21 -12.577 9.971 17.521 1.00 0.00 C ATOM 304 CG1 ILE A 21 -14.016 9.490 17.822 1.00 0.00 C ATOM 305 CG2 ILE A 21 -12.027 10.894 18.625 1.00 0.00 C ATOM 306 CD1 ILE A 21 -14.139 8.676 19.116 1.00 0.00 C ATOM 0 H ILE A 21 -14.157 11.846 16.439 1.00 0.00 H new ATOM 0 HA ILE A 21 -11.396 10.870 15.989 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.970 9.066 17.495 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.673 10.357 17.886 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.368 8.884 16.988 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.115 10.398 19.592 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.979 11.115 18.425 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.597 11.823 18.640 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.177 8.374 19.259 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.509 7.789 19.049 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.819 9.285 19.961 1.00 0.00 H new ATOM 318 N ASP A 22 -12.340 8.561 14.870 1.00 0.00 N ATOM 319 CA ASP A 22 -12.681 7.565 13.846 1.00 0.00 C ATOM 320 C ASP A 22 -13.150 6.247 14.488 1.00 0.00 C ATOM 321 O ASP A 22 -12.478 5.705 15.365 1.00 0.00 O ATOM 322 CB ASP A 22 -11.464 7.362 12.935 1.00 0.00 C ATOM 323 CG ASP A 22 -11.862 6.691 11.614 1.00 0.00 C ATOM 324 OD1 ASP A 22 -12.372 5.554 11.652 1.00 0.00 O ATOM 325 OD2 ASP A 22 -11.676 7.321 10.543 1.00 0.00 O ATOM 0 H ASP A 22 -11.615 8.240 15.511 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.515 7.924 13.244 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.996 8.325 12.730 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.722 6.750 13.447 1.00 0.00 H new ATOM 330 N ASP A 23 -14.295 5.711 14.060 1.00 0.00 N ATOM 331 CA ASP A 23 -14.860 4.447 14.563 1.00 0.00 C ATOM 332 C ASP A 23 -13.959 3.214 14.329 1.00 0.00 C ATOM 333 O ASP A 23 -14.135 2.181 14.986 1.00 0.00 O ATOM 334 CB ASP A 23 -16.242 4.220 13.934 1.00 0.00 C ATOM 335 CG ASP A 23 -17.257 5.290 14.368 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.790 5.197 15.499 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.530 6.225 13.575 1.00 0.00 O ATOM 0 H ASP A 23 -14.870 6.148 13.340 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.940 4.552 15.645 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.151 4.226 12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.611 3.234 14.217 1.00 0.00 H new ATOM 342 N THR A 24 -12.968 3.296 13.435 1.00 0.00 N ATOM 343 CA THR A 24 -11.940 2.254 13.265 1.00 0.00 C ATOM 344 C THR A 24 -10.971 2.170 14.459 1.00 0.00 C ATOM 345 O THR A 24 -10.417 1.101 14.713 1.00 0.00 O ATOM 346 CB THR A 24 -11.207 2.405 11.919 1.00 0.00 C ATOM 347 OG1 THR A 24 -12.142 2.405 10.856 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.254 1.251 11.615 1.00 0.00 C ATOM 0 H THR A 24 -12.853 4.089 12.804 1.00 0.00 H new ATOM 0 HA THR A 24 -12.460 1.296 13.244 1.00 0.00 H new ATOM 0 HB THR A 24 -10.648 3.337 12.002 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.668 2.503 10.004 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.771 1.422 10.653 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.496 1.190 12.396 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.814 0.316 11.580 1.00 0.00 H new ATOM 356 N ILE A 25 -10.834 3.235 15.263 1.00 0.00 N ATOM 357 CA ILE A 25 -10.104 3.221 16.547 1.00 0.00 C ATOM 358 C ILE A 25 -10.757 2.224 17.518 1.00 0.00 C ATOM 359 O ILE A 25 -10.084 1.351 18.066 1.00 0.00 O ATOM 360 CB ILE A 25 -10.012 4.640 17.167 1.00 0.00 C ATOM 361 CG1 ILE A 25 -9.246 5.610 16.232 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.345 4.594 18.556 1.00 0.00 C ATOM 363 CD1 ILE A 25 -9.354 7.087 16.632 1.00 0.00 C ATOM 0 H ILE A 25 -11.233 4.147 15.039 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.082 2.893 16.354 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.029 5.014 17.286 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.194 5.326 16.216 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.624 5.492 15.216 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.293 5.602 18.968 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.932 3.960 19.221 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.338 4.188 18.463 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.790 7.697 15.926 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.400 7.392 16.620 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.948 7.223 17.634 1.00 0.00 H new ATOM 375 N PHE A 26 -12.072 2.351 17.732 1.00 0.00 N ATOM 376 CA PHE A 26 -12.821 1.537 18.693 1.00 0.00 C ATOM 377 C PHE A 26 -12.965 0.068 18.260 1.00 0.00 C ATOM 378 O PHE A 26 -12.774 -0.833 19.081 1.00 0.00 O ATOM 379 CB PHE A 26 -14.190 2.191 18.944 1.00 0.00 C ATOM 380 CG PHE A 26 -15.085 1.485 19.955 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.572 1.035 21.189 1.00 0.00 C ATOM 382 CD2 PHE A 26 -16.453 1.298 19.669 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.409 0.389 22.116 1.00 0.00 C ATOM 384 CE2 PHE A 26 -17.293 0.661 20.601 1.00 0.00 C ATOM 385 CZ PHE A 26 -16.771 0.202 21.823 1.00 0.00 C ATOM 0 H PHE A 26 -12.651 3.029 17.237 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.253 1.506 19.623 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.027 3.214 19.283 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -14.723 2.251 17.995 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.529 1.188 21.424 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.858 1.645 18.730 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.005 0.036 23.054 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -18.341 0.524 20.377 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.415 -0.293 22.535 1.00 0.00 H new ATOM 395 N GLN A 27 -13.281 -0.199 16.985 1.00 0.00 N ATOM 396 CA GLN A 27 -13.539 -1.569 16.505 1.00 0.00 C ATOM 397 C GLN A 27 -12.292 -2.476 16.444 1.00 0.00 C ATOM 398 O GLN A 27 -12.441 -3.699 16.366 1.00 0.00 O ATOM 399 CB GLN A 27 -14.267 -1.531 15.146 1.00 0.00 C ATOM 400 CG GLN A 27 -13.330 -1.317 13.947 1.00 0.00 C ATOM 401 CD GLN A 27 -14.089 -0.983 12.664 1.00 0.00 C ATOM 402 OE1 GLN A 27 -14.122 -1.749 11.708 1.00 0.00 O ATOM 403 NE2 GLN A 27 -14.726 0.167 12.588 1.00 0.00 N ATOM 0 H GLN A 27 -13.365 0.517 16.263 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.182 -2.030 17.254 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.810 -2.466 15.009 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.008 -0.732 15.163 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.633 -0.510 14.174 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.735 -2.217 13.790 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.707 0.814 13.376 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.239 0.411 11.741 1.00 0.00 H new ATOM 412 N ASN A 28 -11.078 -1.908 16.453 1.00 0.00 N ATOM 413 CA ASN A 28 -9.827 -2.632 16.206 1.00 0.00 C ATOM 414 C ASN A 28 -8.750 -2.310 17.277 1.00 0.00 C ATOM 415 O ASN A 28 -8.005 -1.337 17.128 1.00 0.00 O ATOM 416 CB ASN A 28 -9.380 -2.359 14.755 1.00 0.00 C ATOM 417 CG ASN A 28 -8.527 -3.499 14.240 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.004 -4.429 13.607 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.251 -3.497 14.541 1.00 0.00 N ATOM 0 H ASN A 28 -10.937 -0.914 16.636 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.986 -3.706 16.307 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.254 -2.234 14.116 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.817 -1.427 14.711 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.656 -4.272 14.247 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.853 -2.721 15.069 1.00 0.00 H new ATOM 426 N PRO A 29 -8.628 -3.104 18.363 1.00 0.00 N ATOM 427 CA PRO A 29 -7.864 -2.732 19.565 1.00 0.00 C ATOM 428 C PRO A 29 -6.342 -2.611 19.360 1.00 0.00 C ATOM 429 O PRO A 29 -5.659 -1.983 20.170 1.00 0.00 O ATOM 430 CB PRO A 29 -8.207 -3.800 20.611 1.00 0.00 C ATOM 431 CG PRO A 29 -8.585 -5.018 19.771 1.00 0.00 C ATOM 432 CD PRO A 29 -9.273 -4.395 18.559 1.00 0.00 C ATOM 0 HA PRO A 29 -8.148 -1.726 19.874 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.359 -4.010 21.262 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.030 -3.484 21.252 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.708 -5.599 19.484 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.250 -5.691 20.312 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.162 -5.027 17.678 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.342 -4.276 18.733 1.00 0.00 H new ATOM 440 N MET A 30 -5.810 -3.141 18.251 1.00 0.00 N ATOM 441 CA MET A 30 -4.416 -2.970 17.811 1.00 0.00 C ATOM 442 C MET A 30 -4.007 -1.493 17.649 1.00 0.00 C ATOM 443 O MET A 30 -2.822 -1.172 17.737 1.00 0.00 O ATOM 444 CB MET A 30 -4.215 -3.679 16.464 1.00 0.00 C ATOM 445 CG MET A 30 -4.479 -5.191 16.500 1.00 0.00 C ATOM 446 SD MET A 30 -4.605 -5.993 14.872 1.00 0.00 S ATOM 447 CE MET A 30 -3.151 -5.321 14.024 1.00 0.00 C ATOM 0 H MET A 30 -6.355 -3.720 17.613 1.00 0.00 H new ATOM 0 HA MET A 30 -3.788 -3.403 18.590 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.875 -3.224 15.725 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.193 -3.508 16.126 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.678 -5.670 17.063 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.404 -5.369 17.048 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.903 -5.953 13.171 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.367 -4.311 13.677 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.307 -5.295 14.714 1.00 0.00 H new ATOM 457 N VAL A 31 -4.978 -0.594 17.432 1.00 0.00 N ATOM 458 CA VAL A 31 -4.763 0.853 17.309 1.00 0.00 C ATOM 459 C VAL A 31 -4.064 1.419 18.543 1.00 0.00 C ATOM 460 O VAL A 31 -2.972 1.964 18.423 1.00 0.00 O ATOM 461 CB VAL A 31 -6.089 1.586 17.004 1.00 0.00 C ATOM 462 CG1 VAL A 31 -5.936 3.112 17.057 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.595 1.214 15.614 1.00 0.00 C ATOM 0 H VAL A 31 -5.958 -0.861 17.335 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.097 1.024 16.463 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.797 1.274 17.772 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.894 3.582 16.836 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.607 3.410 18.052 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.198 3.429 16.320 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.529 1.738 15.415 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.853 1.499 14.868 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.765 0.138 15.564 1.00 0.00 H new ATOM 473 N GLN A 32 -4.642 1.257 19.734 1.00 0.00 N ATOM 474 CA GLN A 32 -4.112 1.824 20.985 1.00 0.00 C ATOM 475 C GLN A 32 -2.661 1.387 21.260 1.00 0.00 C ATOM 476 O GLN A 32 -1.830 2.193 21.682 1.00 0.00 O ATOM 477 CB GLN A 32 -5.029 1.432 22.156 1.00 0.00 C ATOM 478 CG GLN A 32 -6.452 2.000 22.013 1.00 0.00 C ATOM 479 CD GLN A 32 -7.329 1.625 23.208 1.00 0.00 C ATOM 480 OE1 GLN A 32 -8.008 0.605 23.223 1.00 0.00 O ATOM 481 NE2 GLN A 32 -7.351 2.422 24.256 1.00 0.00 N ATOM 0 H GLN A 32 -5.501 0.723 19.864 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.095 2.909 20.879 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.081 0.345 22.223 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.592 1.788 23.089 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.404 3.085 21.922 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.905 1.623 21.096 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.792 3.275 24.260 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.927 2.186 25.064 1.00 0.00 H new ATOM 490 N GLU A 33 -2.337 0.125 20.964 1.00 0.00 N ATOM 491 CA GLU A 33 -0.987 -0.438 21.069 1.00 0.00 C ATOM 492 C GLU A 33 0.020 0.216 20.098 1.00 0.00 C ATOM 493 O GLU A 33 1.183 0.397 20.460 1.00 0.00 O ATOM 494 CB GLU A 33 -1.086 -1.959 20.860 1.00 0.00 C ATOM 495 CG GLU A 33 0.236 -2.729 21.014 1.00 0.00 C ATOM 496 CD GLU A 33 0.897 -2.590 22.405 1.00 0.00 C ATOM 497 OE1 GLU A 33 0.195 -2.349 23.422 1.00 0.00 O ATOM 498 OE2 GLU A 33 2.137 -2.754 22.496 1.00 0.00 O ATOM 0 H GLU A 33 -3.025 -0.552 20.636 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.592 -0.223 22.062 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.807 -2.361 21.572 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.483 -2.147 19.863 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.053 -3.785 20.816 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.937 -2.380 20.256 1.00 0.00 H new ATOM 505 N ALA A 34 -0.403 0.631 18.898 1.00 0.00 N ATOM 506 CA ALA A 34 0.438 1.392 17.972 1.00 0.00 C ATOM 507 C ALA A 34 0.795 2.788 18.526 1.00 0.00 C ATOM 508 O ALA A 34 1.979 3.123 18.604 1.00 0.00 O ATOM 509 CB ALA A 34 -0.231 1.460 16.593 1.00 0.00 C ATOM 0 H ALA A 34 -1.341 0.447 18.543 1.00 0.00 H new ATOM 0 HA ALA A 34 1.388 0.869 17.859 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.401 2.028 15.910 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.369 0.451 16.205 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.200 1.950 16.683 1.00 0.00 H new ATOM 515 N ILE A 35 -0.186 3.591 18.970 1.00 0.00 N ATOM 516 CA ILE A 35 0.095 4.897 19.611 1.00 0.00 C ATOM 517 C ILE A 35 1.027 4.736 20.825 1.00 0.00 C ATOM 518 O ILE A 35 1.972 5.513 20.980 1.00 0.00 O ATOM 519 CB ILE A 35 -1.194 5.676 19.976 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.953 6.151 18.713 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.893 6.924 20.828 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.154 5.264 18.398 1.00 0.00 C ATOM 0 H ILE A 35 -1.178 3.365 18.900 1.00 0.00 H new ATOM 0 HA ILE A 35 0.616 5.503 18.869 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.806 4.976 20.544 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.289 7.178 18.857 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.272 6.155 17.862 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.825 7.439 21.060 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.404 6.623 21.754 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.237 7.594 20.273 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.656 5.635 17.504 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.816 4.242 18.227 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.849 5.281 19.238 1.00 0.00 H new ATOM 534 N ARG A 36 0.827 3.697 21.650 1.00 0.00 N ATOM 535 CA ARG A 36 1.686 3.366 22.803 1.00 0.00 C ATOM 536 C ARG A 36 3.173 3.196 22.443 1.00 0.00 C ATOM 537 O ARG A 36 4.027 3.571 23.248 1.00 0.00 O ATOM 538 CB ARG A 36 1.102 2.132 23.515 1.00 0.00 C ATOM 539 CG ARG A 36 1.922 1.663 24.728 1.00 0.00 C ATOM 540 CD ARG A 36 1.283 0.441 25.392 1.00 0.00 C ATOM 541 NE ARG A 36 0.057 0.786 26.138 1.00 0.00 N ATOM 542 CZ ARG A 36 -0.926 -0.032 26.467 1.00 0.00 C ATOM 543 NH1 ARG A 36 -1.004 -1.252 26.008 1.00 0.00 N ATOM 544 NH2 ARG A 36 -1.861 0.371 27.282 1.00 0.00 N ATOM 0 H ARG A 36 0.048 3.049 21.534 1.00 0.00 H new ATOM 0 HA ARG A 36 1.680 4.215 23.486 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.087 2.360 23.842 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.030 1.313 22.800 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.936 1.419 24.412 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.000 2.474 25.452 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.045 -0.301 24.630 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.002 -0.018 26.071 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.041 1.758 26.430 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.289 -1.604 25.371 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.780 -1.853 26.286 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.832 1.316 27.664 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.621 -0.259 27.537 1.00 0.00 H new ATOM 558 N MET A 37 3.508 2.694 21.248 1.00 0.00 N ATOM 559 CA MET A 37 4.903 2.595 20.775 1.00 0.00 C ATOM 560 C MET A 37 5.525 3.936 20.325 1.00 0.00 C ATOM 561 O MET A 37 6.737 3.997 20.105 1.00 0.00 O ATOM 562 CB MET A 37 5.038 1.575 19.634 1.00 0.00 C ATOM 563 CG MET A 37 4.596 0.156 20.012 1.00 0.00 C ATOM 564 SD MET A 37 5.573 -1.188 19.271 1.00 0.00 S ATOM 565 CE MET A 37 5.681 -0.634 17.547 1.00 0.00 C ATOM 0 H MET A 37 2.823 2.344 20.578 1.00 0.00 H new ATOM 0 HA MET A 37 5.461 2.262 21.650 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.446 1.915 18.784 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.077 1.546 19.307 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.638 0.057 21.097 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.554 0.028 19.720 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.941 -1.479 16.909 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.720 -0.226 17.235 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.447 0.136 17.460 1.00 0.00 H new ATOM 575 N GLY A 38 4.732 5.006 20.192 1.00 0.00 N ATOM 576 CA GLY A 38 5.182 6.366 19.857 1.00 0.00 C ATOM 577 C GLY A 38 4.610 6.954 18.557 1.00 0.00 C ATOM 578 O GLY A 38 4.889 8.116 18.249 1.00 0.00 O ATOM 0 H GLY A 38 3.722 4.948 20.319 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.919 7.029 20.681 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.270 6.362 19.785 1.00 0.00 H new ATOM 582 N PHE A 39 3.819 6.192 17.792 1.00 0.00 N ATOM 583 CA PHE A 39 3.069 6.702 16.632 1.00 0.00 C ATOM 584 C PHE A 39 1.938 7.674 17.050 1.00 0.00 C ATOM 585 O PHE A 39 1.563 7.751 18.222 1.00 0.00 O ATOM 586 CB PHE A 39 2.498 5.515 15.842 1.00 0.00 C ATOM 587 CG PHE A 39 3.512 4.598 15.178 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.207 5.028 14.032 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.721 3.292 15.663 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.106 4.160 13.384 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.615 2.424 15.014 1.00 0.00 C ATOM 592 CZ PHE A 39 5.307 2.858 13.873 1.00 0.00 C ATOM 0 H PHE A 39 3.679 5.196 17.960 1.00 0.00 H new ATOM 0 HA PHE A 39 3.754 7.271 16.004 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.887 4.917 16.518 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.833 5.905 15.071 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.050 6.026 13.649 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.190 2.955 16.541 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.643 4.496 12.509 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.769 1.424 15.393 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.993 2.192 13.371 1.00 0.00 H new ATOM 602 N SER A 40 1.356 8.399 16.088 1.00 0.00 N ATOM 603 CA SER A 40 0.261 9.364 16.308 1.00 0.00 C ATOM 604 C SER A 40 -1.105 8.784 15.922 1.00 0.00 C ATOM 605 O SER A 40 -1.218 8.097 14.906 1.00 0.00 O ATOM 606 CB SER A 40 0.508 10.633 15.477 1.00 0.00 C ATOM 607 OG SER A 40 1.758 11.231 15.796 1.00 0.00 O ATOM 0 H SER A 40 1.637 8.333 15.110 1.00 0.00 H new ATOM 0 HA SER A 40 0.248 9.597 17.373 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.483 10.385 14.416 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.295 11.348 15.656 1.00 0.00 H new ATOM 0 HG SER A 40 1.885 12.034 15.249 1.00 0.00 H new ATOM 613 N PHE A 41 -2.168 9.118 16.668 1.00 0.00 N ATOM 614 CA PHE A 41 -3.552 8.670 16.404 1.00 0.00 C ATOM 615 C PHE A 41 -3.993 8.902 14.952 1.00 0.00 C ATOM 616 O PHE A 41 -4.523 7.990 14.311 1.00 0.00 O ATOM 617 CB PHE A 41 -4.535 9.346 17.381 1.00 0.00 C ATOM 618 CG PHE A 41 -4.901 8.508 18.593 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.833 7.459 18.457 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.334 8.777 19.854 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.185 6.679 19.572 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.687 7.992 20.968 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.611 6.942 20.827 1.00 0.00 C ATOM 0 H PHE A 41 -2.093 9.719 17.489 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.566 7.592 16.565 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.098 10.284 17.723 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.448 9.597 16.841 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.277 7.254 17.494 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.628 9.586 19.966 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.898 5.876 19.464 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.247 8.197 21.933 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.879 6.339 21.682 1.00 0.00 H new ATOM 633 N LYS A 42 -3.732 10.107 14.426 1.00 0.00 N ATOM 634 CA LYS A 42 -4.038 10.518 13.046 1.00 0.00 C ATOM 635 C LYS A 42 -3.412 9.613 11.979 1.00 0.00 C ATOM 636 O LYS A 42 -4.035 9.391 10.945 1.00 0.00 O ATOM 637 CB LYS A 42 -3.689 12.009 12.848 1.00 0.00 C ATOM 638 CG LYS A 42 -2.185 12.354 12.906 1.00 0.00 C ATOM 639 CD LYS A 42 -1.496 12.424 11.529 1.00 0.00 C ATOM 640 CE LYS A 42 -1.869 13.669 10.706 1.00 0.00 C ATOM 641 NZ LYS A 42 -1.258 14.912 11.253 1.00 0.00 N ATOM 0 H LYS A 42 -3.287 10.848 14.967 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.111 10.396 12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.081 12.331 11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.207 12.590 13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.064 13.313 13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.676 11.608 13.516 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.416 12.407 11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.756 11.532 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.544 13.531 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.953 13.778 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.538 15.724 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.587 15.060 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.222 14.821 11.247 1.00 0.00 H new ATOM 655 N ASP A 43 -2.220 9.062 12.224 1.00 0.00 N ATOM 656 CA ASP A 43 -1.561 8.121 11.310 1.00 0.00 C ATOM 657 C ASP A 43 -2.180 6.718 11.372 1.00 0.00 C ATOM 658 O ASP A 43 -2.318 6.076 10.330 1.00 0.00 O ATOM 659 CB ASP A 43 -0.054 8.036 11.594 1.00 0.00 C ATOM 660 CG ASP A 43 0.701 9.303 11.166 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.580 9.715 9.986 1.00 0.00 O ATOM 662 OD2 ASP A 43 1.440 9.880 11.998 1.00 0.00 O ATOM 0 H ASP A 43 -1.680 9.257 13.067 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.714 8.511 10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.102 7.867 12.659 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.362 7.175 11.071 1.00 0.00 H new ATOM 667 N ILE A 44 -2.589 6.237 12.553 1.00 0.00 N ATOM 668 CA ILE A 44 -3.182 4.894 12.671 1.00 0.00 C ATOM 669 C ILE A 44 -4.563 4.840 12.008 1.00 0.00 C ATOM 670 O ILE A 44 -4.824 3.950 11.195 1.00 0.00 O ATOM 671 CB ILE A 44 -3.274 4.365 14.117 1.00 0.00 C ATOM 672 CG1 ILE A 44 -2.128 4.756 15.067 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.378 2.831 14.045 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.710 4.486 14.568 1.00 0.00 C ATOM 0 H ILE A 44 -2.522 6.749 13.433 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.492 4.234 12.146 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.152 4.841 14.554 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.216 5.820 15.288 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.267 4.222 16.007 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.445 2.423 15.054 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.268 2.553 13.481 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.494 2.429 13.549 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.008 4.803 15.324 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.588 3.420 14.377 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.536 5.042 13.647 1.00 0.00 H new ATOM 686 N LYS A 45 -5.446 5.808 12.302 1.00 0.00 N ATOM 687 CA LYS A 45 -6.765 5.895 11.646 1.00 0.00 C ATOM 688 C LYS A 45 -6.637 6.026 10.122 1.00 0.00 C ATOM 689 O LYS A 45 -7.348 5.332 9.397 1.00 0.00 O ATOM 690 CB LYS A 45 -7.663 6.961 12.311 1.00 0.00 C ATOM 691 CG LYS A 45 -7.198 8.429 12.232 1.00 0.00 C ATOM 692 CD LYS A 45 -7.625 9.222 10.985 1.00 0.00 C ATOM 693 CE LYS A 45 -9.139 9.442 10.922 1.00 0.00 C ATOM 694 NZ LYS A 45 -9.570 9.913 9.584 1.00 0.00 N ATOM 0 H LYS A 45 -5.273 6.542 12.989 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.287 4.951 11.801 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.653 6.896 11.860 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.774 6.699 13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.571 8.952 13.112 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.110 8.445 12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.120 10.188 10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.301 8.690 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.652 8.511 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.432 10.172 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.587 10.132 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.037 10.769 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.390 9.170 8.880 1.00 0.00 H new ATOM 708 N LYS A 46 -5.672 6.829 9.645 1.00 0.00 N ATOM 709 CA LYS A 46 -5.327 7.018 8.224 1.00 0.00 C ATOM 710 C LYS A 46 -4.880 5.710 7.577 1.00 0.00 C ATOM 711 O LYS A 46 -5.417 5.336 6.537 1.00 0.00 O ATOM 712 CB LYS A 46 -4.258 8.118 8.107 1.00 0.00 C ATOM 713 CG LYS A 46 -3.633 8.337 6.718 1.00 0.00 C ATOM 714 CD LYS A 46 -4.575 8.886 5.635 1.00 0.00 C ATOM 715 CE LYS A 46 -5.061 7.801 4.664 1.00 0.00 C ATOM 716 NZ LYS A 46 -5.512 8.397 3.378 1.00 0.00 N ATOM 0 H LYS A 46 -5.085 7.388 10.264 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.215 7.336 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.703 9.059 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.455 7.887 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.793 9.024 6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.226 7.387 6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.437 9.353 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.060 9.666 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.257 7.090 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.881 7.243 5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.503 8.135 3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.431 9.433 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.918 8.040 2.603 1.00 0.00 H new ATOM 730 N ILE A 47 -3.901 5.015 8.158 1.00 0.00 N ATOM 731 CA ILE A 47 -3.391 3.785 7.548 1.00 0.00 C ATOM 732 C ILE A 47 -4.429 2.660 7.556 1.00 0.00 C ATOM 733 O ILE A 47 -4.508 1.924 6.577 1.00 0.00 O ATOM 734 CB ILE A 47 -2.023 3.364 8.129 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.256 2.593 7.038 1.00 0.00 C ATOM 736 CG2 ILE A 47 -2.135 2.556 9.433 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.202 2.313 7.402 1.00 0.00 C ATOM 0 H ILE A 47 -3.451 5.276 9.035 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.206 4.006 6.497 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.474 4.262 8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.763 1.647 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.288 3.164 6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.137 2.294 9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.641 3.155 10.190 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.706 1.646 9.249 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.682 1.767 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.724 3.256 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.241 1.716 8.313 1.00 0.00 H new ATOM 749 N MET A 48 -5.273 2.548 8.589 1.00 0.00 N ATOM 750 CA MET A 48 -6.366 1.568 8.602 1.00 0.00 C ATOM 751 C MET A 48 -7.459 1.880 7.573 1.00 0.00 C ATOM 752 O MET A 48 -7.816 0.990 6.802 1.00 0.00 O ATOM 753 CB MET A 48 -6.962 1.395 10.002 1.00 0.00 C ATOM 754 CG MET A 48 -5.987 0.639 10.903 1.00 0.00 C ATOM 755 SD MET A 48 -6.720 -0.048 12.408 1.00 0.00 S ATOM 756 CE MET A 48 -5.491 -1.336 12.734 1.00 0.00 C ATOM 0 H MET A 48 -5.220 3.125 9.428 1.00 0.00 H new ATOM 0 HA MET A 48 -5.918 0.619 8.309 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.184 2.371 10.433 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.905 0.852 9.939 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.540 -0.173 10.330 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.178 1.313 11.185 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.399 -1.488 13.810 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.805 -2.267 12.262 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.527 -1.030 12.327 1.00 0.00 H new ATOM 766 N GLU A 49 -7.980 3.113 7.511 1.00 0.00 N ATOM 767 CA GLU A 49 -8.990 3.461 6.496 1.00 0.00 C ATOM 768 C GLU A 49 -8.451 3.285 5.064 1.00 0.00 C ATOM 769 O GLU A 49 -9.174 2.794 4.196 1.00 0.00 O ATOM 770 CB GLU A 49 -9.609 4.854 6.734 1.00 0.00 C ATOM 771 CG GLU A 49 -8.706 6.041 6.371 1.00 0.00 C ATOM 772 CD GLU A 49 -9.361 7.393 6.698 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.349 7.782 6.028 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.869 8.101 7.610 1.00 0.00 O ATOM 0 H GLU A 49 -7.726 3.876 8.139 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.808 2.749 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.530 4.928 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.885 4.936 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.763 5.956 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.469 6.002 5.308 1.00 0.00 H new ATOM 781 N GLU A 50 -7.171 3.594 4.820 1.00 0.00 N ATOM 782 CA GLU A 50 -6.487 3.321 3.549 1.00 0.00 C ATOM 783 C GLU A 50 -6.356 1.810 3.278 1.00 0.00 C ATOM 784 O GLU A 50 -6.813 1.336 2.238 1.00 0.00 O ATOM 785 CB GLU A 50 -5.120 4.028 3.536 1.00 0.00 C ATOM 786 CG GLU A 50 -4.459 4.034 2.148 1.00 0.00 C ATOM 787 CD GLU A 50 -3.119 3.277 2.139 1.00 0.00 C ATOM 788 OE1 GLU A 50 -3.123 2.028 2.010 1.00 0.00 O ATOM 789 OE2 GLU A 50 -2.051 3.925 2.259 1.00 0.00 O ATOM 0 H GLU A 50 -6.572 4.047 5.510 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.093 3.721 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.246 5.056 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.456 3.536 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.135 3.581 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.295 5.064 1.830 1.00 0.00 H new ATOM 796 N LYS A 51 -5.791 1.036 4.217 1.00 0.00 N ATOM 797 CA LYS A 51 -5.588 -0.420 4.114 1.00 0.00 C ATOM 798 C LYS A 51 -6.871 -1.152 3.733 1.00 0.00 C ATOM 799 O LYS A 51 -6.868 -1.913 2.769 1.00 0.00 O ATOM 800 CB LYS A 51 -5.010 -0.964 5.435 1.00 0.00 C ATOM 801 CG LYS A 51 -4.725 -2.476 5.440 1.00 0.00 C ATOM 802 CD LYS A 51 -3.579 -2.864 4.496 1.00 0.00 C ATOM 803 CE LYS A 51 -3.122 -4.296 4.791 1.00 0.00 C ATOM 804 NZ LYS A 51 -1.888 -4.636 4.037 1.00 0.00 N ATOM 0 H LYS A 51 -5.451 1.418 5.099 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.873 -0.604 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.084 -0.433 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.708 -0.737 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.479 -2.792 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.628 -3.013 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.907 -2.784 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.745 -2.174 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.940 -4.409 5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.916 -4.995 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.604 -5.612 4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.070 -4.551 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.125 -3.983 4.308 1.00 0.00 H new ATOM 818 N ILE A 52 -7.964 -0.907 4.459 1.00 0.00 N ATOM 819 CA ILE A 52 -9.272 -1.523 4.195 1.00 0.00 C ATOM 820 C ILE A 52 -9.780 -1.130 2.798 1.00 0.00 C ATOM 821 O ILE A 52 -10.182 -1.999 2.026 1.00 0.00 O ATOM 822 CB ILE A 52 -10.290 -1.159 5.302 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.810 -1.593 6.708 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.646 -1.832 5.018 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.531 -0.846 7.839 1.00 0.00 C ATOM 0 H ILE A 52 -7.969 -0.269 5.255 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.155 -2.607 4.211 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.390 -0.074 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.970 -2.665 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.737 -1.420 6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.354 -1.569 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.027 -1.490 4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.517 -2.914 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.154 -1.191 8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.350 0.224 7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.602 -1.040 7.778 1.00 0.00 H new ATOM 837 N GLN A 53 -9.743 0.161 2.449 1.00 0.00 N ATOM 838 CA GLN A 53 -10.244 0.683 1.170 1.00 0.00 C ATOM 839 C GLN A 53 -9.454 0.178 -0.059 1.00 0.00 C ATOM 840 O GLN A 53 -10.051 -0.071 -1.109 1.00 0.00 O ATOM 841 CB GLN A 53 -10.277 2.218 1.263 1.00 0.00 C ATOM 842 CG GLN A 53 -11.053 2.898 0.128 1.00 0.00 C ATOM 843 CD GLN A 53 -11.281 4.383 0.420 1.00 0.00 C ATOM 844 OE1 GLN A 53 -10.627 5.266 -0.120 1.00 0.00 O ATOM 845 NE2 GLN A 53 -12.216 4.724 1.288 1.00 0.00 N ATOM 0 H GLN A 53 -9.358 0.885 3.056 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.251 0.300 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.723 2.504 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.254 2.593 1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.503 2.790 -0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.013 2.400 -0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.772 4.003 1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.383 5.708 1.498 1.00 0.00 H new ATOM 854 N ILE A 54 -8.134 -0.013 0.064 1.00 0.00 N ATOM 855 CA ILE A 54 -7.252 -0.579 -0.973 1.00 0.00 C ATOM 856 C ILE A 54 -7.333 -2.117 -1.014 1.00 0.00 C ATOM 857 O ILE A 54 -7.683 -2.694 -2.045 1.00 0.00 O ATOM 858 CB ILE A 54 -5.795 -0.090 -0.762 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.646 1.442 -0.919 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.802 -0.801 -1.704 1.00 0.00 C ATOM 861 CD1 ILE A 54 -5.961 2.009 -2.308 1.00 0.00 C ATOM 0 H ILE A 54 -7.630 0.230 0.917 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.596 -0.222 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.553 -0.350 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.299 1.927 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.623 1.716 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.795 -0.427 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.830 -1.875 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.079 -0.605 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.823 3.090 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.291 1.563 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.993 1.777 -2.570 1.00 0.00 H new ATOM 873 N SER A 55 -6.969 -2.790 0.083 1.00 0.00 N ATOM 874 CA SER A 55 -6.742 -4.245 0.151 1.00 0.00 C ATOM 875 C SER A 55 -8.027 -5.072 0.323 1.00 0.00 C ATOM 876 O SER A 55 -8.081 -6.236 -0.087 1.00 0.00 O ATOM 877 CB SER A 55 -5.782 -4.533 1.315 1.00 0.00 C ATOM 878 OG SER A 55 -5.234 -5.841 1.245 1.00 0.00 O ATOM 0 H SER A 55 -6.818 -2.326 0.979 1.00 0.00 H new ATOM 0 HA SER A 55 -6.318 -4.549 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.974 -3.801 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.312 -4.413 2.260 1.00 0.00 H new ATOM 0 HG SER A 55 -4.628 -5.983 2.002 1.00 0.00 H new ATOM 884 N GLY A 56 -9.079 -4.484 0.907 1.00 0.00 N ATOM 885 CA GLY A 56 -10.383 -5.112 1.162 1.00 0.00 C ATOM 886 C GLY A 56 -10.575 -5.675 2.581 1.00 0.00 C ATOM 887 O GLY A 56 -11.684 -6.092 2.922 1.00 0.00 O ATOM 0 H GLY A 56 -9.044 -3.517 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.165 -4.377 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.524 -5.921 0.446 1.00 0.00 H new ATOM 891 N SER A 57 -9.533 -5.680 3.419 1.00 0.00 N ATOM 892 CA SER A 57 -9.559 -6.127 4.826 1.00 0.00 C ATOM 893 C SER A 57 -8.638 -5.282 5.722 1.00 0.00 C ATOM 894 O SER A 57 -7.756 -4.574 5.230 1.00 0.00 O ATOM 895 CB SER A 57 -9.183 -7.616 4.910 1.00 0.00 C ATOM 896 OG SER A 57 -7.881 -7.858 4.398 1.00 0.00 O ATOM 0 H SER A 57 -8.609 -5.361 3.129 1.00 0.00 H new ATOM 0 HA SER A 57 -10.574 -5.990 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.233 -7.946 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.909 -8.207 4.352 1.00 0.00 H new ATOM 0 HG SER A 57 -7.674 -8.813 4.468 1.00 0.00 H new ATOM 902 N ASN A 58 -8.841 -5.337 7.047 1.00 0.00 N ATOM 903 CA ASN A 58 -7.987 -4.659 8.034 1.00 0.00 C ATOM 904 C ASN A 58 -6.794 -5.543 8.469 1.00 0.00 C ATOM 905 O ASN A 58 -6.747 -6.741 8.173 1.00 0.00 O ATOM 906 CB ASN A 58 -8.857 -4.211 9.234 1.00 0.00 C ATOM 907 CG ASN A 58 -8.281 -3.025 10.003 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.190 -2.540 9.750 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.004 -2.494 10.960 1.00 0.00 N ATOM 0 H ASN A 58 -9.610 -5.859 7.468 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.545 -3.774 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.851 -3.949 8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.977 -5.052 9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.652 -1.689 11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.918 -2.886 11.186 1.00 0.00 H new ATOM 916 N TYR A 59 -5.841 -4.964 9.202 1.00 0.00 N ATOM 917 CA TYR A 59 -4.679 -5.648 9.780 1.00 0.00 C ATOM 918 C TYR A 59 -5.069 -6.753 10.781 1.00 0.00 C ATOM 919 O TYR A 59 -6.096 -6.658 11.460 1.00 0.00 O ATOM 920 CB TYR A 59 -3.776 -4.606 10.456 1.00 0.00 C ATOM 921 CG TYR A 59 -3.152 -3.623 9.488 1.00 0.00 C ATOM 922 CD1 TYR A 59 -2.037 -4.025 8.734 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.680 -2.328 9.328 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.446 -3.136 7.821 1.00 0.00 C ATOM 925 CE2 TYR A 59 -3.088 -1.431 8.416 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.972 -1.838 7.654 1.00 0.00 C ATOM 927 OH TYR A 59 -1.430 -1.004 6.732 1.00 0.00 O ATOM 0 H TYR A 59 -5.857 -3.967 9.418 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.147 -6.146 8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.360 -4.055 11.193 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.983 -5.122 10.998 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.633 -5.019 8.856 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.540 -2.021 9.905 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.587 -3.447 7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.488 -0.434 8.301 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.771 -1.493 6.196 1.00 0.00 H new ATOM 937 N LYS A 60 -4.220 -7.788 10.894 1.00 0.00 N ATOM 938 CA LYS A 60 -4.462 -9.009 11.697 1.00 0.00 C ATOM 939 C LYS A 60 -3.403 -9.296 12.775 1.00 0.00 C ATOM 940 O LYS A 60 -3.689 -10.034 13.719 1.00 0.00 O ATOM 941 CB LYS A 60 -4.621 -10.218 10.751 1.00 0.00 C ATOM 942 CG LYS A 60 -5.757 -10.094 9.718 1.00 0.00 C ATOM 943 CD LYS A 60 -7.153 -10.042 10.355 1.00 0.00 C ATOM 944 CE LYS A 60 -8.225 -9.881 9.270 1.00 0.00 C ATOM 945 NZ LYS A 60 -9.593 -9.921 9.851 1.00 0.00 N ATOM 0 H LYS A 60 -3.319 -7.803 10.417 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.381 -8.830 12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.682 -10.369 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.794 -11.110 11.353 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.602 -9.193 9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.709 -10.940 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.335 -10.954 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.209 -9.211 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.077 -8.936 8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.119 -10.674 8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.296 -9.810 9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.741 -10.833 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.701 -9.148 10.539 1.00 0.00 H new ATOM 959 N SER A 61 -2.221 -8.679 12.672 1.00 0.00 N ATOM 960 CA SER A 61 -1.134 -8.711 13.666 1.00 0.00 C ATOM 961 C SER A 61 -0.431 -7.354 13.737 1.00 0.00 C ATOM 962 O SER A 61 -0.341 -6.647 12.727 1.00 0.00 O ATOM 963 CB SER A 61 -0.094 -9.782 13.304 1.00 0.00 C ATOM 964 OG SER A 61 -0.634 -11.086 13.433 1.00 0.00 O ATOM 0 H SER A 61 -1.981 -8.116 11.856 1.00 0.00 H new ATOM 0 HA SER A 61 -1.580 -8.947 14.632 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.250 -9.628 12.281 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.777 -9.681 13.952 1.00 0.00 H new ATOM 0 HG SER A 61 0.049 -11.748 13.195 1.00 0.00 H new ATOM 970 N LEU A 62 0.109 -7.001 14.911 1.00 0.00 N ATOM 971 CA LEU A 62 0.829 -5.737 15.122 1.00 0.00 C ATOM 972 C LEU A 62 2.030 -5.610 14.180 1.00 0.00 C ATOM 973 O LEU A 62 2.252 -4.535 13.638 1.00 0.00 O ATOM 974 CB LEU A 62 1.286 -5.583 16.591 1.00 0.00 C ATOM 975 CG LEU A 62 0.238 -5.120 17.624 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.366 -3.760 17.267 1.00 0.00 C ATOM 977 CD2 LEU A 62 -0.894 -6.127 17.825 1.00 0.00 C ATOM 0 H LEU A 62 0.059 -7.586 15.745 1.00 0.00 H new ATOM 0 HA LEU A 62 0.129 -4.933 14.895 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.681 -6.544 16.922 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.114 -4.874 16.612 1.00 0.00 H new ATOM 0 HG LEU A 62 0.791 -5.035 18.559 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.098 -3.477 18.024 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.424 -3.010 17.228 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.855 -3.823 16.295 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.597 -5.742 18.563 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.412 -6.286 16.879 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.481 -7.073 18.176 1.00 0.00 H new ATOM 989 N GLU A 63 2.754 -6.705 13.929 1.00 0.00 N ATOM 990 CA GLU A 63 3.904 -6.764 13.011 1.00 0.00 C ATOM 991 C GLU A 63 3.596 -6.156 11.631 1.00 0.00 C ATOM 992 O GLU A 63 4.359 -5.327 11.134 1.00 0.00 O ATOM 993 CB GLU A 63 4.372 -8.220 12.844 1.00 0.00 C ATOM 994 CG GLU A 63 4.943 -8.815 14.139 1.00 0.00 C ATOM 995 CD GLU A 63 5.427 -10.261 13.912 1.00 0.00 C ATOM 996 OE1 GLU A 63 6.590 -10.459 13.482 1.00 0.00 O ATOM 997 OE2 GLU A 63 4.649 -11.213 14.165 1.00 0.00 O ATOM 0 H GLU A 63 2.553 -7.603 14.370 1.00 0.00 H new ATOM 0 HA GLU A 63 4.697 -6.165 13.458 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.533 -8.830 12.509 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.131 -8.265 12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.771 -8.201 14.492 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.181 -8.800 14.918 1.00 0.00 H new ATOM 1004 N VAL A 64 2.464 -6.535 11.027 1.00 0.00 N ATOM 1005 CA VAL A 64 2.015 -6.024 9.718 1.00 0.00 C ATOM 1006 C VAL A 64 1.648 -4.538 9.808 1.00 0.00 C ATOM 1007 O VAL A 64 2.060 -3.745 8.958 1.00 0.00 O ATOM 1008 CB VAL A 64 0.824 -6.837 9.163 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.597 -6.527 7.678 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.028 -8.354 9.272 1.00 0.00 C ATOM 0 H VAL A 64 1.822 -7.214 11.436 1.00 0.00 H new ATOM 0 HA VAL A 64 2.849 -6.138 9.025 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.031 -6.542 9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.246 -7.111 7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.384 -5.465 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.492 -6.785 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.157 -8.868 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.916 -8.643 8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.156 -8.630 10.319 1.00 0.00 H new ATOM 1020 N LEU A 65 0.910 -4.149 10.857 1.00 0.00 N ATOM 1021 CA LEU A 65 0.488 -2.769 11.116 1.00 0.00 C ATOM 1022 C LEU A 65 1.706 -1.827 11.232 1.00 0.00 C ATOM 1023 O LEU A 65 1.799 -0.836 10.510 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.394 -2.722 12.389 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.582 -1.732 12.386 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.936 -1.369 13.831 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.360 -0.425 11.629 1.00 0.00 C ATOM 0 H LEU A 65 0.582 -4.804 11.567 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.106 -2.417 10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.788 -3.723 12.565 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.247 -2.479 13.236 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.378 -2.260 11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.773 -0.671 13.836 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.213 -2.272 14.376 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.074 -0.906 14.311 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.257 0.190 11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.519 0.112 12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.144 -0.643 10.583 1.00 0.00 H new ATOM 1039 N VAL A 66 2.651 -2.139 12.129 1.00 0.00 N ATOM 1040 CA VAL A 66 3.828 -1.300 12.424 1.00 0.00 C ATOM 1041 C VAL A 66 4.835 -1.259 11.272 1.00 0.00 C ATOM 1042 O VAL A 66 5.421 -0.205 11.025 1.00 0.00 O ATOM 1043 CB VAL A 66 4.510 -1.659 13.762 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.491 -1.631 14.913 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.259 -2.996 13.752 1.00 0.00 C ATOM 0 H VAL A 66 2.622 -2.996 12.681 1.00 0.00 H new ATOM 0 HA VAL A 66 3.434 -0.290 12.536 1.00 0.00 H new ATOM 0 HB VAL A 66 5.269 -0.892 13.915 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.991 -1.887 15.847 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.060 -0.633 14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.699 -2.353 14.716 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.707 -3.169 14.730 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.561 -3.802 13.525 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.042 -2.969 12.994 1.00 0.00 H new ATOM 1055 N ALA A 67 4.997 -2.357 10.522 1.00 0.00 N ATOM 1056 CA ALA A 67 5.800 -2.388 9.298 1.00 0.00 C ATOM 1057 C ALA A 67 5.233 -1.440 8.224 1.00 0.00 C ATOM 1058 O ALA A 67 5.967 -0.621 7.667 1.00 0.00 O ATOM 1059 CB ALA A 67 5.892 -3.829 8.784 1.00 0.00 C ATOM 0 H ALA A 67 4.570 -3.254 10.752 1.00 0.00 H new ATOM 0 HA ALA A 67 6.804 -2.032 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.490 -3.853 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.361 -4.456 9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.891 -4.204 8.571 1.00 0.00 H new ATOM 1065 N ASP A 68 3.926 -1.512 7.955 1.00 0.00 N ATOM 1066 CA ASP A 68 3.260 -0.594 7.026 1.00 0.00 C ATOM 1067 C ASP A 68 3.292 0.863 7.531 1.00 0.00 C ATOM 1068 O ASP A 68 3.542 1.763 6.730 1.00 0.00 O ATOM 1069 CB ASP A 68 1.822 -1.058 6.736 1.00 0.00 C ATOM 1070 CG ASP A 68 1.695 -2.200 5.704 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.709 -2.820 5.300 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.548 -2.454 5.257 1.00 0.00 O ATOM 0 H ASP A 68 3.303 -2.204 8.372 1.00 0.00 H new ATOM 0 HA ASP A 68 3.817 -0.614 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.367 -1.383 7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.246 -0.203 6.381 1.00 0.00 H new ATOM 1077 N LEU A 69 3.115 1.115 8.839 1.00 0.00 N ATOM 1078 CA LEU A 69 3.244 2.447 9.454 1.00 0.00 C ATOM 1079 C LEU A 69 4.615 3.080 9.186 1.00 0.00 C ATOM 1080 O LEU A 69 4.666 4.190 8.649 1.00 0.00 O ATOM 1081 CB LEU A 69 2.970 2.393 10.968 1.00 0.00 C ATOM 1082 CG LEU A 69 1.484 2.381 11.361 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.333 1.943 12.816 1.00 0.00 C ATOM 1084 CD2 LEU A 69 0.853 3.773 11.239 1.00 0.00 C ATOM 0 H LEU A 69 2.874 0.386 9.510 1.00 0.00 H new ATOM 0 HA LEU A 69 2.490 3.079 8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.445 1.501 11.376 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.448 3.252 11.439 1.00 0.00 H new ATOM 0 HG LEU A 69 0.983 1.690 10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.277 1.937 13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.745 0.941 12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.869 2.638 13.463 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.197 3.723 11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.375 4.468 11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.932 4.119 10.208 1.00 0.00 H new ATOM 1096 N VAL A 70 5.723 2.403 9.531 1.00 0.00 N ATOM 1097 CA VAL A 70 7.067 2.942 9.240 1.00 0.00 C ATOM 1098 C VAL A 70 7.275 3.143 7.738 1.00 0.00 C ATOM 1099 O VAL A 70 7.729 4.209 7.332 1.00 0.00 O ATOM 1100 CB VAL A 70 8.245 2.175 9.880 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.124 2.165 11.406 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.439 0.734 9.400 1.00 0.00 C ATOM 0 H VAL A 70 5.720 1.499 10.003 1.00 0.00 H new ATOM 0 HA VAL A 70 7.082 3.914 9.733 1.00 0.00 H new ATOM 0 HB VAL A 70 9.124 2.729 9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.965 1.619 11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.129 3.189 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.192 1.679 11.694 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.292 0.291 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.543 0.154 9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.620 0.730 8.325 1.00 0.00 H new ATOM 1112 N ASN A 71 6.885 2.181 6.895 1.00 0.00 N ATOM 1113 CA ASN A 71 7.031 2.283 5.439 1.00 0.00 C ATOM 1114 C ASN A 71 6.247 3.468 4.833 1.00 0.00 C ATOM 1115 O ASN A 71 6.740 4.127 3.916 1.00 0.00 O ATOM 1116 CB ASN A 71 6.620 0.943 4.809 1.00 0.00 C ATOM 1117 CG ASN A 71 6.982 0.882 3.335 1.00 0.00 C ATOM 1118 OD1 ASN A 71 8.145 0.802 2.961 1.00 0.00 O ATOM 1119 ND2 ASN A 71 6.015 0.922 2.446 1.00 0.00 N ATOM 0 H ASN A 71 6.458 1.308 7.204 1.00 0.00 H new ATOM 0 HA ASN A 71 8.076 2.491 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.110 0.126 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.546 0.800 4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.235 0.886 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.044 0.989 2.751 1.00 0.00 H new ATOM 1126 N ALA A 72 5.048 3.760 5.348 1.00 0.00 N ATOM 1127 CA ALA A 72 4.205 4.876 4.919 1.00 0.00 C ATOM 1128 C ALA A 72 4.763 6.254 5.334 1.00 0.00 C ATOM 1129 O ALA A 72 4.741 7.186 4.526 1.00 0.00 O ATOM 1130 CB ALA A 72 2.789 4.665 5.472 1.00 0.00 C ATOM 0 H ALA A 72 4.627 3.209 6.096 1.00 0.00 H new ATOM 0 HA ALA A 72 4.187 4.885 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.150 5.491 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.385 3.728 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.826 4.627 6.561 1.00 0.00 H new ATOM 1136 N GLN A 73 5.255 6.404 6.574 1.00 0.00 N ATOM 1137 CA GLN A 73 5.814 7.677 7.065 1.00 0.00 C ATOM 1138 C GLN A 73 7.251 7.959 6.572 1.00 0.00 C ATOM 1139 O GLN A 73 7.654 9.123 6.492 1.00 0.00 O ATOM 1140 CB GLN A 73 5.699 7.765 8.598 1.00 0.00 C ATOM 1141 CG GLN A 73 6.727 6.908 9.353 1.00 0.00 C ATOM 1142 CD GLN A 73 6.533 6.887 10.870 1.00 0.00 C ATOM 1143 OE1 GLN A 73 5.510 7.268 11.424 1.00 0.00 O ATOM 1144 NE2 GLN A 73 7.524 6.437 11.613 1.00 0.00 N ATOM 0 H GLN A 73 5.277 5.652 7.262 1.00 0.00 H new ATOM 0 HA GLN A 73 5.208 8.471 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.816 8.805 8.902 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.697 7.457 8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.677 5.886 8.977 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.727 7.281 9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.386 6.114 11.173 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.429 6.411 12.628 1.00 0.00 H new ATOM 1153 N LYS A 74 8.021 6.916 6.220 1.00 0.00 N ATOM 1154 CA LYS A 74 9.320 7.009 5.525 1.00 0.00 C ATOM 1155 C LYS A 74 9.180 7.605 4.114 1.00 0.00 C ATOM 1156 O LYS A 74 8.084 7.711 3.559 1.00 0.00 O ATOM 1157 CB LYS A 74 9.972 5.611 5.463 1.00 0.00 C ATOM 1158 CG LYS A 74 10.666 5.238 6.787 1.00 0.00 C ATOM 1159 CD LYS A 74 11.055 3.750 6.872 1.00 0.00 C ATOM 1160 CE LYS A 74 11.922 3.231 5.713 1.00 0.00 C ATOM 1161 NZ LYS A 74 13.262 3.875 5.669 1.00 0.00 N ATOM 0 H LYS A 74 7.749 5.953 6.417 1.00 0.00 H new ATOM 0 HA LYS A 74 9.959 7.686 6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.211 4.866 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.700 5.586 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.562 5.848 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.004 5.481 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.590 3.584 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.143 3.155 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.044 2.152 5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.406 3.410 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.806 3.490 4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.150 4.902 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.768 3.684 6.557 1.00 0.00 H new ATOM 1175 N ASP A 75 10.313 7.976 3.521 1.00 0.00 N ATOM 1176 CA ASP A 75 10.415 8.396 2.120 1.00 0.00 C ATOM 1177 C ASP A 75 10.053 7.270 1.127 1.00 0.00 C ATOM 1178 O ASP A 75 10.070 6.081 1.466 1.00 0.00 O ATOM 1179 CB ASP A 75 11.831 8.934 1.857 1.00 0.00 C ATOM 1180 CG ASP A 75 12.910 7.838 1.910 1.00 0.00 C ATOM 1181 OD1 ASP A 75 13.249 7.376 3.027 1.00 0.00 O ATOM 1182 OD2 ASP A 75 13.437 7.465 0.835 1.00 0.00 O ATOM 0 H ASP A 75 11.208 7.994 4.010 1.00 0.00 H new ATOM 0 HA ASP A 75 9.683 9.186 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.856 9.413 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.065 9.702 2.594 1.00 0.00 H new ATOM 1187 N SER A 76 9.742 7.645 -0.118 1.00 0.00 N ATOM 1188 CA SER A 76 9.365 6.735 -1.210 1.00 0.00 C ATOM 1189 C SER A 76 10.567 5.933 -1.745 1.00 0.00 C ATOM 1190 O SER A 76 11.115 6.231 -2.810 1.00 0.00 O ATOM 1191 CB SER A 76 8.678 7.518 -2.341 1.00 0.00 C ATOM 1192 OG SER A 76 7.541 8.226 -1.858 1.00 0.00 O ATOM 0 H SER A 76 9.745 8.624 -0.405 1.00 0.00 H new ATOM 0 HA SER A 76 8.661 6.009 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.386 8.219 -2.784 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.374 6.831 -3.130 1.00 0.00 H new ATOM 0 HG SER A 76 7.123 8.717 -2.596 1.00 0.00 H new ATOM 1198 N MET A 77 10.975 4.900 -1.001 1.00 0.00 N ATOM 1199 CA MET A 77 12.029 3.945 -1.370 1.00 0.00 C ATOM 1200 C MET A 77 11.748 3.285 -2.731 1.00 0.00 C ATOM 1201 O MET A 77 10.637 2.810 -2.989 1.00 0.00 O ATOM 1202 CB MET A 77 12.158 2.865 -0.281 1.00 0.00 C ATOM 1203 CG MET A 77 12.790 3.387 1.018 1.00 0.00 C ATOM 1204 SD MET A 77 14.568 3.759 0.933 1.00 0.00 S ATOM 1205 CE MET A 77 15.268 2.082 0.904 1.00 0.00 C ATOM 0 H MET A 77 10.565 4.697 -0.089 1.00 0.00 H new ATOM 0 HA MET A 77 12.965 4.497 -1.455 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.170 2.461 -0.060 1.00 0.00 H new ATOM 0 HB3 MET A 77 12.760 2.041 -0.665 1.00 0.00 H new ATOM 0 HG2 MET A 77 12.262 4.291 1.320 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.629 2.647 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 77 16.356 2.142 0.924 1.00 0.00 H new ATOM 0 HE2 MET A 77 14.919 1.527 1.775 1.00 0.00 H new ATOM 0 HE3 MET A 77 14.949 1.570 -0.004 1.00 0.00 H new ATOM 1215 N GLN A 78 12.767 3.233 -3.591 1.00 0.00 N ATOM 1216 CA GLN A 78 12.734 2.658 -4.942 1.00 0.00 C ATOM 1217 C GLN A 78 13.642 1.422 -5.069 1.00 0.00 C ATOM 1218 O GLN A 78 14.562 1.219 -4.271 1.00 0.00 O ATOM 1219 CB GLN A 78 13.056 3.742 -5.995 1.00 0.00 C ATOM 1220 CG GLN A 78 14.425 4.439 -5.863 1.00 0.00 C ATOM 1221 CD GLN A 78 14.467 5.481 -4.744 1.00 0.00 C ATOM 1222 OE1 GLN A 78 14.906 5.219 -3.631 1.00 0.00 O ATOM 1223 NE2 GLN A 78 13.997 6.689 -4.980 1.00 0.00 N ATOM 0 H GLN A 78 13.685 3.609 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 78 11.722 2.301 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 78 12.998 3.286 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 78 12.278 4.504 -5.950 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.192 3.687 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.672 4.921 -6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.628 6.922 -5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.002 7.392 -4.241 1.00 0.00 H new ATOM 1232 N ASP A 79 13.392 0.593 -6.086 1.00 0.00 N ATOM 1233 CA ASP A 79 14.049 -0.704 -6.306 1.00 0.00 C ATOM 1234 C ASP A 79 14.926 -0.680 -7.571 1.00 0.00 C ATOM 1235 O ASP A 79 14.519 -1.109 -8.654 1.00 0.00 O ATOM 1236 CB ASP A 79 12.989 -1.817 -6.320 1.00 0.00 C ATOM 1237 CG ASP A 79 13.605 -3.217 -6.484 1.00 0.00 C ATOM 1238 OD1 ASP A 79 14.611 -3.524 -5.796 1.00 0.00 O ATOM 1239 OD2 ASP A 79 13.069 -4.034 -7.272 1.00 0.00 O ATOM 0 H ASP A 79 12.703 0.811 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 79 14.733 -0.913 -5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.418 -1.782 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.287 -1.635 -7.134 1.00 0.00 H new ATOM 1244 N GLU A 80 16.141 -0.146 -7.438 1.00 0.00 N ATOM 1245 CA GLU A 80 17.155 -0.099 -8.500 1.00 0.00 C ATOM 1246 C GLU A 80 17.772 -1.494 -8.740 1.00 0.00 C ATOM 1247 O GLU A 80 18.847 -1.824 -8.231 1.00 0.00 O ATOM 1248 CB GLU A 80 18.230 0.957 -8.169 1.00 0.00 C ATOM 1249 CG GLU A 80 17.691 2.395 -8.082 1.00 0.00 C ATOM 1250 CD GLU A 80 17.084 2.880 -9.414 1.00 0.00 C ATOM 1251 OE1 GLU A 80 17.847 3.128 -10.380 1.00 0.00 O ATOM 1252 OE2 GLU A 80 15.840 3.026 -9.505 1.00 0.00 O ATOM 0 H GLU A 80 16.458 0.278 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 80 16.672 0.200 -9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 80 18.699 0.698 -7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.009 0.918 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.933 2.449 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.499 3.065 -7.789 1.00 0.00 H new ATOM 1259 N SER A 81 17.074 -2.334 -9.514 1.00 0.00 N ATOM 1260 CA SER A 81 17.514 -3.687 -9.901 1.00 0.00 C ATOM 1261 C SER A 81 18.828 -3.671 -10.702 1.00 0.00 C ATOM 1262 O SER A 81 19.710 -4.511 -10.494 1.00 0.00 O ATOM 1263 CB SER A 81 16.396 -4.367 -10.704 1.00 0.00 C ATOM 1264 OG SER A 81 16.708 -5.726 -10.963 1.00 0.00 O ATOM 0 H SER A 81 16.163 -2.088 -9.901 1.00 0.00 H new ATOM 0 HA SER A 81 17.715 -4.252 -8.991 1.00 0.00 H new ATOM 0 HB2 SER A 81 15.458 -4.305 -10.152 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.247 -3.839 -11.646 1.00 0.00 H new ATOM 0 HG SER A 81 15.980 -6.137 -11.474 1.00 0.00 H new ATOM 1270 N SER A 82 18.995 -2.673 -11.580 1.00 0.00 N ATOM 1271 CA SER A 82 20.233 -2.368 -12.310 1.00 0.00 C ATOM 1272 C SER A 82 21.389 -2.039 -11.352 1.00 0.00 C ATOM 1273 O SER A 82 21.314 -1.073 -10.586 1.00 0.00 O ATOM 1274 CB SER A 82 20.006 -1.183 -13.261 1.00 0.00 C ATOM 1275 OG SER A 82 18.933 -1.441 -14.156 1.00 0.00 O ATOM 0 H SER A 82 18.239 -2.029 -11.811 1.00 0.00 H new ATOM 0 HA SER A 82 20.505 -3.255 -12.882 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.792 -0.284 -12.682 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.917 -0.988 -13.827 1.00 0.00 H new ATOM 0 HG SER A 82 18.809 -0.670 -14.749 1.00 0.00 H new ATOM 1281 N GLN A 83 22.461 -2.837 -11.388 1.00 0.00 N ATOM 1282 CA GLN A 83 23.677 -2.628 -10.587 1.00 0.00 C ATOM 1283 C GLN A 83 24.370 -1.286 -10.896 1.00 0.00 C ATOM 1284 O GLN A 83 24.244 -0.737 -11.995 1.00 0.00 O ATOM 1285 CB GLN A 83 24.653 -3.797 -10.828 1.00 0.00 C ATOM 1286 CG GLN A 83 24.193 -5.115 -10.182 1.00 0.00 C ATOM 1287 CD GLN A 83 24.247 -5.067 -8.654 1.00 0.00 C ATOM 1288 OE1 GLN A 83 25.296 -4.896 -8.044 1.00 0.00 O ATOM 1289 NE2 GLN A 83 23.131 -5.201 -7.969 1.00 0.00 N ATOM 0 H GLN A 83 22.511 -3.662 -11.985 1.00 0.00 H new ATOM 0 HA GLN A 83 23.379 -2.593 -9.539 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.771 -3.948 -11.901 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.634 -3.530 -10.434 1.00 0.00 H new ATOM 0 HG2 GLN A 83 23.174 -5.336 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 83 24.822 -5.930 -10.539 1.00 0.00 H new ATOM 0 HE21 GLN A 83 22.247 -5.344 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 83 23.150 -5.162 -6.950 1.00 0.00 H new ATOM 1298 N THR A 84 25.142 -0.775 -9.931 1.00 0.00 N ATOM 1299 CA THR A 84 25.909 0.482 -10.020 1.00 0.00 C ATOM 1300 C THR A 84 26.961 0.418 -11.136 1.00 0.00 C ATOM 1301 O THR A 84 27.993 -0.242 -10.997 1.00 0.00 O ATOM 1302 CB THR A 84 26.572 0.820 -8.670 1.00 0.00 C ATOM 1303 OG1 THR A 84 25.634 0.717 -7.614 1.00 0.00 O ATOM 1304 CG2 THR A 84 27.135 2.243 -8.637 1.00 0.00 C ATOM 0 H THR A 84 25.257 -1.240 -9.030 1.00 0.00 H new ATOM 0 HA THR A 84 25.206 1.278 -10.267 1.00 0.00 H new ATOM 0 HB THR A 84 27.385 0.104 -8.548 1.00 0.00 H new ATOM 0 HG1 THR A 84 26.073 0.933 -6.765 1.00 0.00 H new ATOM 0 HG21 THR A 84 27.591 2.431 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.887 2.355 -9.418 1.00 0.00 H new ATOM 0 HG23 THR A 84 26.329 2.957 -8.804 1.00 0.00 H new ATOM 1312 N SER A 85 26.685 1.090 -12.257 1.00 0.00 N ATOM 1313 CA SER A 85 27.513 1.102 -13.477 1.00 0.00 C ATOM 1314 C SER A 85 27.766 2.527 -13.997 1.00 0.00 C ATOM 1315 O SER A 85 28.899 2.880 -14.334 1.00 0.00 O ATOM 1316 CB SER A 85 26.836 0.231 -14.545 1.00 0.00 C ATOM 1317 OG SER A 85 27.648 0.125 -15.702 1.00 0.00 O ATOM 0 H SER A 85 25.847 1.665 -12.348 1.00 0.00 H new ATOM 0 HA SER A 85 28.493 0.691 -13.236 1.00 0.00 H new ATOM 0 HB2 SER A 85 26.642 -0.762 -14.140 1.00 0.00 H new ATOM 0 HB3 SER A 85 25.871 0.661 -14.812 1.00 0.00 H new ATOM 0 HG SER A 85 27.197 -0.435 -16.368 1.00 0.00 H new ATOM 1323 N LEU A 86 26.728 3.374 -13.989 1.00 0.00 N ATOM 1324 CA LEU A 86 26.778 4.812 -14.272 1.00 0.00 C ATOM 1325 C LEU A 86 25.916 5.593 -13.262 1.00 0.00 C ATOM 1326 O LEU A 86 24.925 5.072 -12.745 1.00 0.00 O ATOM 1327 CB LEU A 86 26.370 5.104 -15.738 1.00 0.00 C ATOM 1328 CG LEU A 86 24.990 4.563 -16.185 1.00 0.00 C ATOM 1329 CD1 LEU A 86 24.397 5.444 -17.288 1.00 0.00 C ATOM 1330 CD2 LEU A 86 25.049 3.130 -16.729 1.00 0.00 C ATOM 0 H LEU A 86 25.783 3.057 -13.774 1.00 0.00 H new ATOM 0 HA LEU A 86 27.806 5.154 -14.155 1.00 0.00 H new ATOM 0 HB2 LEU A 86 26.379 6.184 -15.887 1.00 0.00 H new ATOM 0 HB3 LEU A 86 27.132 4.685 -16.395 1.00 0.00 H new ATOM 0 HG LEU A 86 24.371 4.574 -15.288 1.00 0.00 H new ATOM 0 HD11 LEU A 86 23.427 5.047 -17.589 1.00 0.00 H new ATOM 0 HD12 LEU A 86 24.273 6.461 -16.915 1.00 0.00 H new ATOM 0 HD13 LEU A 86 25.068 5.452 -18.147 1.00 0.00 H new ATOM 0 HD21 LEU A 86 24.049 2.812 -17.024 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.711 3.096 -17.594 1.00 0.00 H new ATOM 0 HD23 LEU A 86 25.429 2.462 -15.955 1.00 0.00 H new ATOM 1342 N GLN A 87 26.287 6.851 -13.002 1.00 0.00 N ATOM 1343 CA GLN A 87 25.599 7.764 -12.067 1.00 0.00 C ATOM 1344 C GLN A 87 25.030 9.026 -12.757 1.00 0.00 C ATOM 1345 O GLN A 87 24.338 9.823 -12.119 1.00 0.00 O ATOM 1346 CB GLN A 87 26.555 8.131 -10.914 1.00 0.00 C ATOM 1347 CG GLN A 87 26.982 6.915 -10.072 1.00 0.00 C ATOM 1348 CD GLN A 87 27.869 7.324 -8.895 1.00 0.00 C ATOM 1349 OE1 GLN A 87 27.406 7.789 -7.861 1.00 0.00 O ATOM 1350 NE2 GLN A 87 29.174 7.170 -8.995 1.00 0.00 N ATOM 0 H GLN A 87 27.098 7.280 -13.447 1.00 0.00 H new ATOM 0 HA GLN A 87 24.732 7.238 -11.667 1.00 0.00 H new ATOM 0 HB2 GLN A 87 27.443 8.610 -11.325 1.00 0.00 H new ATOM 0 HB3 GLN A 87 26.070 8.861 -10.266 1.00 0.00 H new ATOM 0 HG2 GLN A 87 26.096 6.402 -9.698 1.00 0.00 H new ATOM 0 HG3 GLN A 87 27.519 6.206 -10.703 1.00 0.00 H new ATOM 0 HE21 GLN A 87 29.578 6.784 -9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 87 29.780 7.436 -8.219 1.00 0.00 H new ATOM 1359 N LYS A 88 25.305 9.213 -14.057 1.00 0.00 N ATOM 1360 CA LYS A 88 24.783 10.302 -14.906 1.00 0.00 C ATOM 1361 C LYS A 88 23.330 10.072 -15.346 1.00 0.00 C ATOM 1362 O LYS A 88 22.834 8.944 -15.376 1.00 0.00 O ATOM 1363 CB LYS A 88 25.700 10.460 -16.138 1.00 0.00 C ATOM 1364 CG LYS A 88 27.024 11.185 -15.835 1.00 0.00 C ATOM 1365 CD LYS A 88 26.825 12.696 -15.630 1.00 0.00 C ATOM 1366 CE LYS A 88 28.170 13.398 -15.417 1.00 0.00 C ATOM 1367 NZ LYS A 88 27.999 14.868 -15.270 1.00 0.00 N ATOM 0 H LYS A 88 25.923 8.584 -14.570 1.00 0.00 H new ATOM 0 HA LYS A 88 24.782 11.216 -14.313 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.921 9.473 -16.544 1.00 0.00 H new ATOM 0 HB3 LYS A 88 25.163 11.010 -16.911 1.00 0.00 H new ATOM 0 HG2 LYS A 88 27.475 10.755 -14.941 1.00 0.00 H new ATOM 0 HG3 LYS A 88 27.723 11.020 -16.655 1.00 0.00 H new ATOM 0 HD2 LYS A 88 26.321 13.122 -16.497 1.00 0.00 H new ATOM 0 HD3 LYS A 88 26.179 12.869 -14.769 1.00 0.00 H new ATOM 0 HE2 LYS A 88 28.655 12.996 -14.527 1.00 0.00 H new ATOM 0 HE3 LYS A 88 28.828 13.190 -16.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 28.928 15.313 -15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 27.559 15.254 -16.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 27.391 15.066 -14.450 1.00 0.00 H new ATOM 1381 N GLU A 89 22.667 11.161 -15.735 1.00 0.00 N ATOM 1382 CA GLU A 89 21.300 11.230 -16.279 1.00 0.00 C ATOM 1383 C GLU A 89 21.120 12.470 -17.189 1.00 0.00 C ATOM 1384 O GLU A 89 22.028 13.301 -17.292 1.00 0.00 O ATOM 1385 CB GLU A 89 20.278 11.204 -15.122 1.00 0.00 C ATOM 1386 CG GLU A 89 20.385 12.391 -14.151 1.00 0.00 C ATOM 1387 CD GLU A 89 19.408 12.219 -12.970 1.00 0.00 C ATOM 1388 OE1 GLU A 89 18.209 12.564 -13.109 1.00 0.00 O ATOM 1389 OE2 GLU A 89 19.831 11.739 -11.888 1.00 0.00 O ATOM 0 H GLU A 89 23.096 12.085 -15.677 1.00 0.00 H new ATOM 0 HA GLU A 89 21.122 10.357 -16.908 1.00 0.00 H new ATOM 0 HB2 GLU A 89 19.273 11.184 -15.542 1.00 0.00 H new ATOM 0 HB3 GLU A 89 20.407 10.279 -14.561 1.00 0.00 H new ATOM 0 HG2 GLU A 89 21.406 12.470 -13.777 1.00 0.00 H new ATOM 0 HG3 GLU A 89 20.166 13.320 -14.678 1.00 0.00 H new ATOM 1396 N ILE A 90 19.960 12.611 -17.850 1.00 0.00 N ATOM 1397 CA ILE A 90 19.657 13.685 -18.821 1.00 0.00 C ATOM 1398 C ILE A 90 18.436 14.500 -18.363 1.00 0.00 C ATOM 1399 O ILE A 90 17.289 14.067 -18.502 1.00 0.00 O ATOM 1400 CB ILE A 90 19.480 13.128 -20.258 1.00 0.00 C ATOM 1401 CG1 ILE A 90 20.723 12.322 -20.711 1.00 0.00 C ATOM 1402 CG2 ILE A 90 19.207 14.283 -21.246 1.00 0.00 C ATOM 1403 CD1 ILE A 90 20.589 11.683 -22.099 1.00 0.00 C ATOM 0 H ILE A 90 19.182 11.964 -17.723 1.00 0.00 H new ATOM 0 HA ILE A 90 20.512 14.360 -18.855 1.00 0.00 H new ATOM 0 HB ILE A 90 18.626 12.451 -20.251 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.590 12.983 -20.710 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.919 11.538 -19.980 1.00 0.00 H new ATOM 0 HG21 ILE A 90 19.084 13.880 -22.251 1.00 0.00 H new ATOM 0 HG22 ILE A 90 18.297 14.807 -20.951 1.00 0.00 H new ATOM 0 HG23 ILE A 90 20.046 14.979 -21.233 1.00 0.00 H new ATOM 0 HD11 ILE A 90 21.502 11.138 -22.338 1.00 0.00 H new ATOM 0 HD12 ILE A 90 19.744 10.994 -22.103 1.00 0.00 H new ATOM 0 HD13 ILE A 90 20.425 12.462 -22.844 1.00 0.00 H new ATOM 1415 N SER A 91 18.677 15.699 -17.828 1.00 0.00 N ATOM 1416 CA SER A 91 17.661 16.638 -17.317 1.00 0.00 C ATOM 1417 C SER A 91 16.960 17.449 -18.428 1.00 0.00 C ATOM 1418 O SER A 91 16.892 18.679 -18.377 1.00 0.00 O ATOM 1419 CB SER A 91 18.299 17.572 -16.277 1.00 0.00 C ATOM 1420 OG SER A 91 18.894 16.822 -15.226 1.00 0.00 O ATOM 0 H SER A 91 19.625 16.063 -17.732 1.00 0.00 H new ATOM 0 HA SER A 91 16.879 16.041 -16.849 1.00 0.00 H new ATOM 0 HB2 SER A 91 19.053 18.197 -16.756 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.542 18.242 -15.869 1.00 0.00 H new ATOM 0 HG SER A 91 19.296 17.434 -14.575 1.00 0.00 H new ATOM 1426 N THR A 92 16.416 16.776 -19.451 1.00 0.00 N ATOM 1427 CA THR A 92 15.701 17.418 -20.580 1.00 0.00 C ATOM 1428 C THR A 92 14.481 18.244 -20.130 1.00 0.00 C ATOM 1429 O THR A 92 14.171 19.285 -20.710 1.00 0.00 O ATOM 1430 CB THR A 92 15.323 16.369 -21.646 1.00 0.00 C ATOM 1431 OG1 THR A 92 14.809 16.982 -22.810 1.00 0.00 O ATOM 1432 CG2 THR A 92 14.287 15.341 -21.182 1.00 0.00 C ATOM 0 H THR A 92 16.456 15.760 -19.526 1.00 0.00 H new ATOM 0 HA THR A 92 16.389 18.134 -21.030 1.00 0.00 H new ATOM 0 HB THR A 92 16.259 15.848 -21.846 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.580 16.293 -23.468 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.079 14.642 -21.992 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.676 14.795 -20.323 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.367 15.853 -20.900 1.00 0.00 H new ATOM 1440 N GLU A 93 13.834 17.845 -19.030 1.00 0.00 N ATOM 1441 CA GLU A 93 12.719 18.568 -18.399 1.00 0.00 C ATOM 1442 C GLU A 93 13.131 19.954 -17.858 1.00 0.00 C ATOM 1443 O GLU A 93 12.346 20.901 -17.906 1.00 0.00 O ATOM 1444 CB GLU A 93 12.138 17.711 -17.260 1.00 0.00 C ATOM 1445 CG GLU A 93 11.528 16.393 -17.763 1.00 0.00 C ATOM 1446 CD GLU A 93 10.965 15.558 -16.597 1.00 0.00 C ATOM 1447 OE1 GLU A 93 9.783 15.751 -16.217 1.00 0.00 O ATOM 1448 OE2 GLU A 93 11.695 14.692 -16.055 1.00 0.00 O ATOM 0 H GLU A 93 14.077 16.985 -18.538 1.00 0.00 H new ATOM 0 HA GLU A 93 11.966 18.743 -19.168 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.925 17.491 -16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.374 18.283 -16.734 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.733 16.607 -18.478 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.287 15.817 -18.293 1.00 0.00 H new ATOM 1455 N GLU A 94 14.373 20.103 -17.383 1.00 0.00 N ATOM 1456 CA GLU A 94 14.917 21.381 -16.897 1.00 0.00 C ATOM 1457 C GLU A 94 15.259 22.336 -18.052 1.00 0.00 C ATOM 1458 O GLU A 94 15.034 23.543 -17.938 1.00 0.00 O ATOM 1459 CB GLU A 94 16.167 21.144 -16.029 1.00 0.00 C ATOM 1460 CG GLU A 94 15.908 20.312 -14.764 1.00 0.00 C ATOM 1461 CD GLU A 94 14.992 21.042 -13.761 1.00 0.00 C ATOM 1462 OE1 GLU A 94 15.482 21.930 -13.022 1.00 0.00 O ATOM 1463 OE2 GLU A 94 13.778 20.729 -13.695 1.00 0.00 O ATOM 0 H GLU A 94 15.038 19.332 -17.324 1.00 0.00 H new ATOM 0 HA GLU A 94 14.141 21.850 -16.292 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.924 20.642 -16.632 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.581 22.109 -15.737 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.453 19.362 -15.044 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.858 20.081 -14.283 1.00 0.00 H new ATOM 1470 N GLN A 95 15.742 21.814 -19.188 1.00 0.00 N ATOM 1471 CA GLN A 95 15.972 22.611 -20.404 1.00 0.00 C ATOM 1472 C GLN A 95 14.676 23.247 -20.934 1.00 0.00 C ATOM 1473 O GLN A 95 14.705 24.365 -21.454 1.00 0.00 O ATOM 1474 CB GLN A 95 16.617 21.766 -21.515 1.00 0.00 C ATOM 1475 CG GLN A 95 18.021 21.252 -21.157 1.00 0.00 C ATOM 1476 CD GLN A 95 18.713 20.529 -22.318 1.00 0.00 C ATOM 1477 OE1 GLN A 95 18.286 20.539 -23.468 1.00 0.00 O ATOM 1478 NE2 GLN A 95 19.823 19.866 -22.069 1.00 0.00 N ATOM 0 H GLN A 95 15.984 20.829 -19.291 1.00 0.00 H new ATOM 0 HA GLN A 95 16.656 23.411 -20.119 1.00 0.00 H new ATOM 0 HB2 GLN A 95 15.972 20.915 -21.734 1.00 0.00 H new ATOM 0 HB3 GLN A 95 16.678 22.362 -22.425 1.00 0.00 H new ATOM 0 HG2 GLN A 95 18.639 22.092 -20.841 1.00 0.00 H new ATOM 0 HG3 GLN A 95 17.947 20.573 -20.307 1.00 0.00 H new ATOM 0 HE21 GLN A 95 20.201 19.841 -21.122 1.00 0.00 H new ATOM 0 HE22 GLN A 95 20.305 19.377 -22.823 1.00 0.00 H new ATOM 1487 N LEU A 96 13.532 22.575 -20.756 1.00 0.00 N ATOM 1488 CA LEU A 96 12.207 23.104 -21.096 1.00 0.00 C ATOM 1489 C LEU A 96 11.912 24.395 -20.310 1.00 0.00 C ATOM 1490 O LEU A 96 11.613 25.424 -20.913 1.00 0.00 O ATOM 1491 CB LEU A 96 11.134 22.012 -20.872 1.00 0.00 C ATOM 1492 CG LEU A 96 10.042 21.917 -21.956 1.00 0.00 C ATOM 1493 CD1 LEU A 96 9.328 23.243 -22.222 1.00 0.00 C ATOM 1494 CD2 LEU A 96 10.606 21.385 -23.277 1.00 0.00 C ATOM 0 H LEU A 96 13.501 21.633 -20.365 1.00 0.00 H new ATOM 0 HA LEU A 96 12.185 23.375 -22.151 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.634 21.046 -20.800 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.652 22.194 -19.911 1.00 0.00 H new ATOM 0 HG LEU A 96 9.308 21.218 -21.555 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.573 23.101 -22.996 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.848 23.588 -21.306 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.053 23.986 -22.554 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.808 21.331 -24.018 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.389 22.054 -23.634 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.023 20.390 -23.120 1.00 0.00 H new ATOM 1506 N ARG A 97 12.060 24.366 -18.976 1.00 0.00 N ATOM 1507 CA ARG A 97 11.921 25.542 -18.090 1.00 0.00 C ATOM 1508 C ARG A 97 12.946 26.646 -18.381 1.00 0.00 C ATOM 1509 O ARG A 97 12.607 27.825 -18.281 1.00 0.00 O ATOM 1510 CB ARG A 97 12.025 25.112 -16.614 1.00 0.00 C ATOM 1511 CG ARG A 97 10.857 24.252 -16.104 1.00 0.00 C ATOM 1512 CD ARG A 97 9.519 25.004 -16.129 1.00 0.00 C ATOM 1513 NE ARG A 97 8.478 24.281 -15.370 1.00 0.00 N ATOM 1514 CZ ARG A 97 7.325 24.762 -14.938 1.00 0.00 C ATOM 1515 NH1 ARG A 97 6.935 25.977 -15.207 1.00 0.00 N ATOM 1516 NH2 ARG A 97 6.531 24.025 -14.216 1.00 0.00 N ATOM 0 H ARG A 97 12.284 23.510 -18.469 1.00 0.00 H new ATOM 0 HA ARG A 97 10.936 25.963 -18.291 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.953 24.556 -16.478 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.096 26.006 -15.995 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.777 23.354 -16.716 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.068 23.926 -15.086 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.652 26.000 -15.707 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.193 25.135 -17.161 1.00 0.00 H new ATOM 0 HE ARG A 97 8.670 23.302 -15.156 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.527 26.590 -15.768 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.038 26.314 -14.857 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.797 23.069 -13.980 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.643 24.404 -13.886 1.00 0.00 H new ATOM 1530 N ARG A 98 14.181 26.285 -18.757 1.00 0.00 N ATOM 1531 CA ARG A 98 15.251 27.219 -19.163 1.00 0.00 C ATOM 1532 C ARG A 98 14.837 28.040 -20.391 1.00 0.00 C ATOM 1533 O ARG A 98 14.914 29.269 -20.365 1.00 0.00 O ATOM 1534 CB ARG A 98 16.563 26.429 -19.371 1.00 0.00 C ATOM 1535 CG ARG A 98 17.860 27.257 -19.328 1.00 0.00 C ATOM 1536 CD ARG A 98 18.126 28.114 -20.573 1.00 0.00 C ATOM 1537 NE ARG A 98 19.467 28.727 -20.520 1.00 0.00 N ATOM 1538 CZ ARG A 98 20.021 29.524 -21.417 1.00 0.00 C ATOM 1539 NH1 ARG A 98 19.405 29.869 -22.514 1.00 0.00 N ATOM 1540 NH2 ARG A 98 21.221 29.996 -21.230 1.00 0.00 N ATOM 0 H ARG A 98 14.475 25.309 -18.789 1.00 0.00 H new ATOM 0 HA ARG A 98 15.425 27.948 -18.372 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.623 25.655 -18.606 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.510 25.922 -20.334 1.00 0.00 H new ATOM 0 HG2 ARG A 98 17.827 27.911 -18.456 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.701 26.579 -19.186 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.040 27.497 -21.468 1.00 0.00 H new ATOM 0 HD3 ARG A 98 17.369 28.894 -20.650 1.00 0.00 H new ATOM 0 HE ARG A 98 20.031 28.511 -19.698 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.465 29.522 -22.702 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.864 30.486 -23.184 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.740 29.751 -20.387 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.642 30.611 -21.927 1.00 0.00 H new ATOM 1554 N LEU A 99 14.401 27.370 -21.460 1.00 0.00 N ATOM 1555 CA LEU A 99 13.981 27.992 -22.723 1.00 0.00 C ATOM 1556 C LEU A 99 12.632 28.732 -22.577 1.00 0.00 C ATOM 1557 O LEU A 99 12.533 29.921 -22.887 1.00 0.00 O ATOM 1558 CB LEU A 99 13.954 26.897 -23.817 1.00 0.00 C ATOM 1559 CG LEU A 99 14.186 27.344 -25.275 1.00 0.00 C ATOM 1560 CD1 LEU A 99 13.175 28.371 -25.785 1.00 0.00 C ATOM 1561 CD2 LEU A 99 15.596 27.904 -25.490 1.00 0.00 C ATOM 0 H LEU A 99 14.327 26.353 -21.474 1.00 0.00 H new ATOM 0 HA LEU A 99 14.695 28.762 -23.015 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.711 26.154 -23.568 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.987 26.396 -23.768 1.00 0.00 H new ATOM 0 HG LEU A 99 14.053 26.429 -25.852 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.410 28.631 -26.817 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.171 27.949 -25.737 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.222 29.267 -25.165 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.713 28.206 -26.531 1.00 0.00 H new ATOM 0 HD22 LEU A 99 15.747 28.768 -24.843 1.00 0.00 H new ATOM 0 HD23 LEU A 99 16.333 27.137 -25.250 1.00 0.00 H new ATOM 1573 N GLN A 100 11.593 28.038 -22.102 1.00 0.00 N ATOM 1574 CA GLN A 100 10.229 28.549 -21.940 1.00 0.00 C ATOM 1575 C GLN A 100 10.076 29.343 -20.625 1.00 0.00 C ATOM 1576 O GLN A 100 9.661 28.807 -19.595 1.00 0.00 O ATOM 1577 CB GLN A 100 9.238 27.371 -22.051 1.00 0.00 C ATOM 1578 CG GLN A 100 7.778 27.813 -22.264 1.00 0.00 C ATOM 1579 CD GLN A 100 7.528 28.448 -23.634 1.00 0.00 C ATOM 1580 OE1 GLN A 100 7.991 27.988 -24.672 1.00 0.00 O ATOM 1581 NE2 GLN A 100 6.785 29.533 -23.706 1.00 0.00 N ATOM 0 H GLN A 100 11.683 27.065 -21.808 1.00 0.00 H new ATOM 0 HA GLN A 100 10.004 29.259 -22.736 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.540 26.730 -22.879 1.00 0.00 H new ATOM 0 HB3 GLN A 100 9.298 26.769 -21.144 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.124 26.949 -22.148 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.505 28.526 -21.486 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.388 29.936 -22.858 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.607 29.970 -24.610 1.00 0.00 H new ATOM 1590 N GLU A 101 10.403 30.637 -20.659 1.00 0.00 N ATOM 1591 CA GLU A 101 10.304 31.577 -19.528 1.00 0.00 C ATOM 1592 C GLU A 101 9.618 32.908 -19.905 1.00 0.00 C ATOM 1593 O GLU A 101 9.409 33.213 -21.082 1.00 0.00 O ATOM 1594 CB GLU A 101 11.699 31.809 -18.908 1.00 0.00 C ATOM 1595 CG GLU A 101 12.724 32.437 -19.870 1.00 0.00 C ATOM 1596 CD GLU A 101 14.037 32.863 -19.173 1.00 0.00 C ATOM 1597 OE1 GLU A 101 14.403 32.314 -18.103 1.00 0.00 O ATOM 1598 OE2 GLU A 101 14.725 33.771 -19.700 1.00 0.00 O ATOM 0 H GLU A 101 10.758 31.081 -21.506 1.00 0.00 H new ATOM 0 HA GLU A 101 9.658 31.118 -18.780 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.593 32.455 -18.036 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.089 30.855 -18.553 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.956 31.722 -20.660 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.276 33.308 -20.349 1.00 0.00 H new ATOM 1605 N GLU A 102 9.288 33.723 -18.897 1.00 0.00 N ATOM 1606 CA GLU A 102 8.679 35.057 -19.033 1.00 0.00 C ATOM 1607 C GLU A 102 9.656 36.163 -18.591 1.00 0.00 C ATOM 1608 O GLU A 102 10.433 35.975 -17.646 1.00 0.00 O ATOM 1609 CB GLU A 102 7.395 35.132 -18.183 1.00 0.00 C ATOM 1610 CG GLU A 102 6.291 34.140 -18.590 1.00 0.00 C ATOM 1611 CD GLU A 102 5.799 34.321 -20.042 1.00 0.00 C ATOM 1612 OE1 GLU A 102 5.639 35.478 -20.504 1.00 0.00 O ATOM 1613 OE2 GLU A 102 5.534 33.302 -20.726 1.00 0.00 O ATOM 0 H GLU A 102 9.443 33.463 -17.923 1.00 0.00 H new ATOM 0 HA GLU A 102 8.436 35.214 -20.084 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.656 34.955 -17.140 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.995 36.144 -18.244 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.665 33.123 -18.466 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.445 34.253 -17.912 1.00 0.00 H new ATOM 1620 N LYS A 103 9.604 37.330 -19.250 1.00 0.00 N ATOM 1621 CA LYS A 103 10.404 38.531 -18.928 1.00 0.00 C ATOM 1622 C LYS A 103 9.673 39.849 -19.253 1.00 0.00 C ATOM 1623 O LYS A 103 8.594 39.833 -19.853 1.00 0.00 O ATOM 1624 CB LYS A 103 11.810 38.412 -19.565 1.00 0.00 C ATOM 1625 CG LYS A 103 11.905 38.224 -21.092 1.00 0.00 C ATOM 1626 CD LYS A 103 11.617 39.501 -21.896 1.00 0.00 C ATOM 1627 CE LYS A 103 11.923 39.360 -23.393 1.00 0.00 C ATOM 1628 NZ LYS A 103 13.380 39.238 -23.671 1.00 0.00 N ATOM 0 H LYS A 103 8.985 37.473 -20.048 1.00 0.00 H new ATOM 0 HA LYS A 103 10.542 38.575 -17.848 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.370 39.310 -19.305 1.00 0.00 H new ATOM 0 HB3 LYS A 103 12.319 37.571 -19.094 1.00 0.00 H new ATOM 0 HG2 LYS A 103 12.904 37.866 -21.343 1.00 0.00 H new ATOM 0 HG3 LYS A 103 11.203 37.448 -21.397 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.569 39.772 -21.771 1.00 0.00 H new ATOM 0 HD3 LYS A 103 12.209 40.320 -21.487 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.408 38.483 -23.784 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.527 40.226 -23.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.541 39.265 -24.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 13.887 40.027 -23.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 13.732 38.337 -23.289 1.00 0.00 H new ATOM 1642 N LEU A 104 10.252 40.976 -18.818 1.00 0.00 N ATOM 1643 CA LEU A 104 9.721 42.350 -18.944 1.00 0.00 C ATOM 1644 C LEU A 104 9.485 42.821 -20.397 1.00 0.00 C ATOM 1645 O LEU A 104 8.523 43.598 -20.608 1.00 0.00 O ATOM 1646 CB LEU A 104 10.595 43.309 -18.093 1.00 0.00 C ATOM 1647 CG LEU A 104 12.060 43.515 -18.540 1.00 0.00 C ATOM 1648 CD1 LEU A 104 12.216 44.662 -19.541 1.00 0.00 C ATOM 1649 CD2 LEU A 104 12.918 43.868 -17.324 1.00 0.00 C ATOM 1650 OXT LEU A 104 10.243 42.423 -21.308 1.00 0.00 O ATOM 0 H LEU A 104 11.154 40.958 -18.342 1.00 0.00 H new ATOM 0 HA LEU A 104 8.708 42.359 -18.541 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.107 44.284 -18.075 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.604 42.938 -17.068 1.00 0.00 H new ATOM 0 HG LEU A 104 12.373 42.584 -19.013 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.265 44.761 -19.820 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.622 44.452 -20.431 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.872 45.591 -19.086 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.952 44.014 -17.638 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.544 44.785 -16.869 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.870 43.057 -16.597 1.00 0.00 H new TER 1662 LEU A 104