USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 3 GLN : amide:sc= 1.19 K(o=2.4,f=-4.1!) USER MOD Set 1.2: A 60 GLN : amide:sc= 1.17 K(o=2.4,f=-4.2) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 163:sc= 1.39 (180deg=0.0304) USER MOD Set 2.2: A 15 TYR OH : rot 15:sc= 0.944 USER MOD Set 3.1: A 13 TYR OH : rot -30:sc= 1.43 USER MOD Set 3.2: A 23 TYR OH : rot -30:sc= 0.991 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.631 (180deg=0.249) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 2.44 (180deg=2.09) USER MOD Single : A 5 LYS NZ :NH3+ 150:sc= 2 (180deg=-0.259!) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 3.5 (180deg=3.33) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= 0.155 (180deg=0.0227) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 2.4 (180deg=2.33) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.708 K(o=0.71,f=0) USER MOD Single : A 33 THR OG1 : rot -45:sc= 1.16 USER MOD Single : A 42 LYS NZ :NH3+ 144:sc= 3.49 (180deg=1.59) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 1.32 (180deg=-0.0328) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.16) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.24 K(o=1.2,f=-0.12) USER MOD Single : A 65 GLN : amide:sc= 1.22 K(o=1.2,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.884 -45.516 6.367 1.00 0.00 N ATOM 2 CA MET A 1 24.898 -44.936 5.025 1.00 0.00 C ATOM 3 C MET A 1 23.572 -45.135 4.250 1.00 0.00 C ATOM 4 O MET A 1 22.848 -46.116 4.443 1.00 0.00 O ATOM 5 CB MET A 1 26.081 -45.522 4.196 1.00 0.00 C ATOM 6 CG MET A 1 27.506 -45.073 4.618 1.00 0.00 C ATOM 7 SD MET A 1 28.179 -45.873 6.101 1.00 0.00 S ATOM 8 CE MET A 1 29.067 -47.268 5.364 1.00 0.00 C ATOM 0 H1 MET A 1 25.852 -45.780 6.641 1.00 0.00 H new ATOM 0 H2 MET A 1 24.510 -44.819 7.042 1.00 0.00 H new ATOM 0 H3 MET A 1 24.280 -46.363 6.373 1.00 0.00 H new ATOM 0 HA MET A 1 25.025 -43.862 5.161 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.034 -46.609 4.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.933 -45.252 3.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.186 -45.260 3.787 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.493 -43.996 4.783 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.537 -47.857 6.152 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.367 -47.894 4.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.833 -46.894 4.685 1.00 0.00 H new ATOM 20 N LEU A 2 23.278 -44.197 3.340 1.00 0.00 N ATOM 21 CA LEU A 2 22.051 -44.189 2.535 1.00 0.00 C ATOM 22 C LEU A 2 22.003 -45.319 1.486 1.00 0.00 C ATOM 23 O LEU A 2 20.966 -45.963 1.305 1.00 0.00 O ATOM 24 CB LEU A 2 21.929 -42.797 1.855 1.00 0.00 C ATOM 25 CG LEU A 2 21.769 -41.618 2.850 1.00 0.00 C ATOM 26 CD1 LEU A 2 22.122 -40.295 2.159 1.00 0.00 C ATOM 27 CD2 LEU A 2 20.331 -41.518 3.392 1.00 0.00 C ATOM 0 H LEU A 2 23.896 -43.411 3.140 1.00 0.00 H new ATOM 0 HA LEU A 2 21.205 -44.373 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 2 22.815 -42.625 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 2 21.073 -42.808 1.180 1.00 0.00 H new ATOM 0 HG LEU A 2 22.445 -41.807 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 2 22.007 -39.473 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 2 23.154 -40.331 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 2 21.457 -40.139 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 2 20.261 -40.680 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 2 19.640 -41.362 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 2 20.073 -42.441 3.911 1.00 0.00 H new ATOM 39 N GLN A 3 23.138 -45.579 0.819 1.00 0.00 N ATOM 40 CA GLN A 3 23.319 -46.660 -0.158 1.00 0.00 C ATOM 41 C GLN A 3 23.039 -48.064 0.426 1.00 0.00 C ATOM 42 O GLN A 3 22.428 -48.911 -0.231 1.00 0.00 O ATOM 43 CB GLN A 3 24.760 -46.576 -0.749 1.00 0.00 C ATOM 44 CG GLN A 3 25.085 -45.289 -1.592 1.00 0.00 C ATOM 45 CD GLN A 3 25.303 -44.003 -0.774 1.00 0.00 C ATOM 46 OE1 GLN A 3 25.296 -43.975 0.456 1.00 0.00 O ATOM 47 NE2 GLN A 3 25.500 -42.863 -1.408 1.00 0.00 N ATOM 0 H GLN A 3 23.983 -45.023 0.951 1.00 0.00 H new ATOM 0 HA GLN A 3 22.582 -46.520 -0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 3 25.473 -46.637 0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 3 24.924 -47.450 -1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 3 25.980 -45.479 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 3 24.269 -45.119 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 3 25.513 -42.842 -2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 3 25.639 -42.002 -0.878 1.00 0.00 H new ATOM 56 N LYS A 4 23.458 -48.267 1.685 1.00 0.00 N ATOM 57 CA LYS A 4 23.143 -49.444 2.501 1.00 0.00 C ATOM 58 C LYS A 4 21.624 -49.645 2.716 1.00 0.00 C ATOM 59 O LYS A 4 21.151 -50.786 2.752 1.00 0.00 O ATOM 60 CB LYS A 4 23.889 -49.265 3.859 1.00 0.00 C ATOM 61 CG LYS A 4 23.660 -50.358 4.937 1.00 0.00 C ATOM 62 CD LYS A 4 24.318 -51.726 4.627 1.00 0.00 C ATOM 63 CE LYS A 4 23.347 -52.904 4.778 1.00 0.00 C ATOM 64 NZ LYS A 4 22.549 -52.999 3.559 1.00 0.00 N ATOM 0 H LYS A 4 24.044 -47.593 2.177 1.00 0.00 H new ATOM 0 HA LYS A 4 23.473 -50.344 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 4 24.958 -49.210 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 4 23.596 -48.304 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 4 24.044 -49.994 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.587 -50.507 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 4 24.710 -51.713 3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 4 25.167 -51.874 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.897 -53.830 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.702 -52.756 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.993 -53.878 3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.906 -52.184 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.179 -53.003 2.731 1.00 0.00 H new ATOM 78 N LYS A 5 20.875 -48.546 2.877 1.00 0.00 N ATOM 79 CA LYS A 5 19.415 -48.532 2.987 1.00 0.00 C ATOM 80 C LYS A 5 18.651 -48.848 1.685 1.00 0.00 C ATOM 81 O LYS A 5 17.658 -49.579 1.765 1.00 0.00 O ATOM 82 CB LYS A 5 18.987 -47.167 3.560 1.00 0.00 C ATOM 83 CG LYS A 5 19.137 -47.028 5.089 1.00 0.00 C ATOM 84 CD LYS A 5 18.054 -47.777 5.913 1.00 0.00 C ATOM 85 CE LYS A 5 16.694 -47.069 6.050 1.00 0.00 C ATOM 86 NZ LYS A 5 15.896 -47.149 4.826 1.00 0.00 N ATOM 0 H LYS A 5 21.284 -47.614 2.936 1.00 0.00 H new ATOM 0 HA LYS A 5 19.142 -49.350 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 5 19.577 -46.387 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.945 -46.988 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 5 20.119 -47.400 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.107 -45.970 5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.888 -48.752 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.448 -47.958 6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.137 -47.516 6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.857 -46.022 6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.885 -47.144 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.110 -46.333 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.125 -48.027 4.319 1.00 0.00 H new ATOM 100 N ILE A 6 19.048 -48.339 0.496 1.00 0.00 N ATOM 101 CA ILE A 6 18.488 -48.837 -0.786 1.00 0.00 C ATOM 102 C ILE A 6 18.767 -50.339 -0.919 1.00 0.00 C ATOM 103 O ILE A 6 17.849 -51.106 -1.201 1.00 0.00 O ATOM 104 CB ILE A 6 18.973 -48.128 -2.104 1.00 0.00 C ATOM 105 CG1 ILE A 6 18.662 -46.628 -2.124 1.00 0.00 C ATOM 106 CG2 ILE A 6 18.364 -48.739 -3.420 1.00 0.00 C ATOM 107 CD1 ILE A 6 19.797 -45.773 -1.552 1.00 0.00 C ATOM 0 H ILE A 6 19.741 -47.597 0.395 1.00 0.00 H new ATOM 0 HA ILE A 6 17.427 -48.600 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 6 20.050 -48.296 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.462 -46.318 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.752 -46.444 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.747 -48.196 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.645 -49.789 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.278 -48.656 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.516 -44.721 -1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.981 -46.059 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.702 -45.931 -2.138 1.00 0.00 H new ATOM 119 N GLU A 7 20.023 -50.743 -0.673 1.00 0.00 N ATOM 120 CA GLU A 7 20.419 -52.148 -0.639 1.00 0.00 C ATOM 121 C GLU A 7 19.614 -52.967 0.393 1.00 0.00 C ATOM 122 O GLU A 7 19.315 -54.113 0.091 1.00 0.00 O ATOM 123 CB GLU A 7 21.933 -52.201 -0.348 1.00 0.00 C ATOM 124 CG GLU A 7 22.583 -53.611 -0.487 1.00 0.00 C ATOM 125 CD GLU A 7 23.938 -53.667 0.215 1.00 0.00 C ATOM 126 OE1 GLU A 7 23.954 -53.539 1.443 1.00 0.00 O ATOM 127 OE2 GLU A 7 24.948 -53.832 -0.461 1.00 0.00 O ATOM 0 H GLU A 7 20.791 -50.097 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 7 20.201 -52.608 -1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 7 22.442 -51.515 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 7 22.106 -51.836 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.919 -54.364 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 7 22.707 -53.855 -1.542 1.00 0.00 H new ATOM 134 N GLU A 8 19.241 -52.465 1.582 1.00 0.00 N ATOM 135 CA GLU A 8 18.343 -53.168 2.512 1.00 0.00 C ATOM 136 C GLU A 8 16.869 -53.251 2.051 1.00 0.00 C ATOM 137 O GLU A 8 16.269 -54.319 2.195 1.00 0.00 O ATOM 138 CB GLU A 8 18.430 -52.518 3.932 1.00 0.00 C ATOM 139 CG GLU A 8 18.909 -53.472 5.077 1.00 0.00 C ATOM 140 CD GLU A 8 18.010 -54.693 5.303 1.00 0.00 C ATOM 141 OE1 GLU A 8 16.870 -54.528 5.745 1.00 0.00 O ATOM 142 OE2 GLU A 8 18.468 -55.798 5.031 1.00 0.00 O ATOM 0 H GLU A 8 19.555 -51.557 1.926 1.00 0.00 H new ATOM 0 HA GLU A 8 18.696 -54.199 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 8 19.109 -51.667 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.447 -52.127 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 8 19.918 -53.816 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.969 -52.904 6.005 1.00 0.00 H new ATOM 149 N GLU A 9 16.219 -52.186 1.555 1.00 0.00 N ATOM 150 CA GLU A 9 14.829 -52.244 1.056 1.00 0.00 C ATOM 151 C GLU A 9 14.706 -52.960 -0.295 1.00 0.00 C ATOM 152 O GLU A 9 13.888 -53.871 -0.429 1.00 0.00 O ATOM 153 CB GLU A 9 14.209 -50.822 1.076 1.00 0.00 C ATOM 154 CG GLU A 9 13.598 -50.440 2.472 1.00 0.00 C ATOM 155 CD GLU A 9 14.588 -50.469 3.642 1.00 0.00 C ATOM 156 OE1 GLU A 9 15.269 -49.469 3.872 1.00 0.00 O ATOM 157 OE2 GLU A 9 14.650 -51.490 4.334 1.00 0.00 O ATOM 0 H GLU A 9 16.639 -51.259 1.487 1.00 0.00 H new ATOM 0 HA GLU A 9 14.242 -52.867 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.975 -50.094 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.431 -50.760 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.170 -49.440 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.778 -51.124 2.692 1.00 0.00 H new ATOM 164 N ALA A 10 15.486 -52.563 -1.298 1.00 0.00 N ATOM 165 CA ALA A 10 15.679 -53.360 -2.516 1.00 0.00 C ATOM 166 C ALA A 10 16.523 -54.660 -2.381 1.00 0.00 C ATOM 167 O ALA A 10 16.823 -55.270 -3.409 1.00 0.00 O ATOM 168 CB ALA A 10 16.190 -52.405 -3.613 1.00 0.00 C ATOM 0 H ALA A 10 16.002 -51.683 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 10 14.712 -53.786 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.346 -52.962 -4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.454 -51.619 -3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.132 -51.957 -3.296 1.00 0.00 H new ATOM 174 N ALA A 11 16.992 -55.136 -1.213 1.00 0.00 N ATOM 175 CA ALA A 11 17.193 -56.580 -0.989 1.00 0.00 C ATOM 176 C ALA A 11 15.874 -57.332 -0.752 1.00 0.00 C ATOM 177 O ALA A 11 15.641 -58.403 -1.319 1.00 0.00 O ATOM 178 CB ALA A 11 18.125 -56.853 0.210 1.00 0.00 C ATOM 0 H ALA A 11 17.237 -54.548 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 11 17.653 -56.948 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.246 -57.929 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.098 -56.398 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.690 -56.425 1.113 1.00 0.00 H new ATOM 184 N LYS A 12 14.988 -56.751 0.068 1.00 0.00 N ATOM 185 CA LYS A 12 13.745 -57.381 0.511 1.00 0.00 C ATOM 186 C LYS A 12 12.651 -57.368 -0.584 1.00 0.00 C ATOM 187 O LYS A 12 11.550 -56.841 -0.422 1.00 0.00 O ATOM 188 CB LYS A 12 13.267 -56.701 1.825 1.00 0.00 C ATOM 189 CG LYS A 12 14.241 -56.873 3.017 1.00 0.00 C ATOM 190 CD LYS A 12 13.701 -56.326 4.368 1.00 0.00 C ATOM 191 CE LYS A 12 13.446 -54.810 4.461 1.00 0.00 C ATOM 192 NZ LYS A 12 14.709 -54.092 4.326 1.00 0.00 N ATOM 0 H LYS A 12 15.121 -55.813 0.447 1.00 0.00 H new ATOM 0 HA LYS A 12 13.942 -58.434 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.122 -55.637 1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.296 -57.111 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.471 -57.932 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.177 -56.367 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.766 -56.840 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.410 -56.598 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.754 -54.499 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.978 -54.568 5.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.531 -53.068 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.343 -54.355 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.154 -54.340 3.420 1.00 0.00 H new ATOM 206 N TYR A 13 12.978 -58.023 -1.706 1.00 0.00 N ATOM 207 CA TYR A 13 12.098 -58.228 -2.863 1.00 0.00 C ATOM 208 C TYR A 13 10.803 -59.027 -2.579 1.00 0.00 C ATOM 209 O TYR A 13 9.913 -59.085 -3.429 1.00 0.00 O ATOM 210 CB TYR A 13 12.945 -58.876 -4.003 1.00 0.00 C ATOM 211 CG TYR A 13 13.507 -57.849 -5.010 1.00 0.00 C ATOM 212 CD1 TYR A 13 14.125 -56.655 -4.648 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.386 -58.093 -6.370 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.579 -55.760 -5.599 1.00 0.00 C ATOM 215 CE2 TYR A 13 13.839 -57.199 -7.323 1.00 0.00 C ATOM 216 CZ TYR A 13 14.427 -56.024 -6.935 1.00 0.00 C ATOM 217 OH TYR A 13 14.799 -55.117 -7.875 1.00 0.00 O ATOM 0 H TYR A 13 13.899 -58.441 -1.837 1.00 0.00 H new ATOM 0 HA TYR A 13 11.721 -57.250 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.773 -59.430 -3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.328 -59.598 -4.538 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.253 -56.423 -3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.922 -59.012 -6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.058 -54.844 -5.286 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.729 -57.427 -8.373 1.00 0.00 H new ATOM 0 HH TYR A 13 14.700 -54.212 -7.513 1.00 0.00 H new ATOM 227 N LYS A 14 10.689 -59.661 -1.401 1.00 0.00 N ATOM 228 CA LYS A 14 9.418 -60.138 -0.846 1.00 0.00 C ATOM 229 C LYS A 14 8.461 -58.961 -0.525 1.00 0.00 C ATOM 230 O LYS A 14 7.254 -59.051 -0.763 1.00 0.00 O ATOM 231 CB LYS A 14 9.723 -60.959 0.435 1.00 0.00 C ATOM 232 CG LYS A 14 8.567 -61.914 0.846 1.00 0.00 C ATOM 233 CD LYS A 14 8.624 -62.321 2.339 1.00 0.00 C ATOM 234 CE LYS A 14 8.002 -61.228 3.207 1.00 0.00 C ATOM 235 NZ LYS A 14 8.308 -61.454 4.615 1.00 0.00 N ATOM 0 H LYS A 14 11.490 -59.858 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 14 8.915 -60.764 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.629 -61.544 0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.927 -60.273 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.612 -61.429 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.607 -62.811 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.092 -63.261 2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.658 -62.489 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.380 -60.253 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.922 -61.212 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.138 -60.580 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.700 -62.212 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.305 -61.732 4.713 1.00 0.00 H new ATOM 249 N TYR A 15 8.982 -57.825 -0.028 1.00 0.00 N ATOM 250 CA TYR A 15 8.201 -56.603 0.195 1.00 0.00 C ATOM 251 C TYR A 15 8.198 -55.732 -1.081 1.00 0.00 C ATOM 252 O TYR A 15 8.717 -54.608 -1.171 1.00 0.00 O ATOM 253 CB TYR A 15 8.731 -55.846 1.443 1.00 0.00 C ATOM 254 CG TYR A 15 8.440 -56.636 2.728 1.00 0.00 C ATOM 255 CD1 TYR A 15 7.143 -56.840 3.170 1.00 0.00 C ATOM 256 CD2 TYR A 15 9.458 -57.222 3.457 1.00 0.00 C ATOM 257 CE1 TYR A 15 6.869 -57.613 4.281 1.00 0.00 C ATOM 258 CE2 TYR A 15 9.196 -57.997 4.568 1.00 0.00 C ATOM 259 CZ TYR A 15 7.901 -58.204 4.970 1.00 0.00 C ATOM 260 OH TYR A 15 7.650 -59.095 5.969 1.00 0.00 O ATOM 0 H TYR A 15 9.964 -57.732 0.231 1.00 0.00 H new ATOM 0 HA TYR A 15 7.163 -56.863 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.805 -55.684 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.264 -54.863 1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.326 -56.383 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.482 -57.070 3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.849 -57.752 4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 15 10.011 -58.441 5.121 1.00 0.00 H new ATOM 0 HH TYR A 15 6.716 -59.387 5.919 1.00 0.00 H new ATOM 270 N ALA A 16 7.501 -56.344 -2.049 1.00 0.00 N ATOM 271 CA ALA A 16 7.441 -55.926 -3.447 1.00 0.00 C ATOM 272 C ALA A 16 6.961 -54.482 -3.662 1.00 0.00 C ATOM 273 O ALA A 16 7.584 -53.733 -4.413 1.00 0.00 O ATOM 274 CB ALA A 16 6.542 -56.929 -4.200 1.00 0.00 C ATOM 0 H ALA A 16 6.942 -57.178 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 16 8.458 -55.930 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.477 -56.643 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.968 -57.929 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.544 -56.924 -3.761 1.00 0.00 H new ATOM 280 N MET A 17 5.896 -54.078 -2.959 1.00 0.00 N ATOM 281 CA MET A 17 5.364 -52.715 -3.001 1.00 0.00 C ATOM 282 C MET A 17 6.309 -51.671 -2.373 1.00 0.00 C ATOM 283 O MET A 17 6.323 -50.520 -2.808 1.00 0.00 O ATOM 284 CB MET A 17 3.985 -52.678 -2.294 1.00 0.00 C ATOM 285 CG MET A 17 2.901 -53.496 -3.031 1.00 0.00 C ATOM 286 SD MET A 17 1.304 -53.457 -2.176 1.00 0.00 S ATOM 287 CE MET A 17 0.496 -52.076 -3.024 1.00 0.00 C ATOM 0 H MET A 17 5.375 -54.697 -2.338 1.00 0.00 H new ATOM 0 HA MET A 17 5.262 -52.444 -4.052 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.094 -53.062 -1.280 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.655 -51.643 -2.209 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.779 -53.105 -4.041 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.233 -54.530 -3.128 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.500 -51.927 -2.608 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.086 -51.170 -2.887 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.415 -52.299 -4.088 1.00 0.00 H new ATOM 297 N LEU A 18 7.139 -52.061 -1.395 1.00 0.00 N ATOM 298 CA LEU A 18 7.999 -51.136 -0.655 1.00 0.00 C ATOM 299 C LEU A 18 9.345 -50.906 -1.356 1.00 0.00 C ATOM 300 O LEU A 18 9.806 -49.762 -1.443 1.00 0.00 O ATOM 301 CB LEU A 18 8.159 -51.626 0.808 1.00 0.00 C ATOM 302 CG LEU A 18 6.809 -51.841 1.546 1.00 0.00 C ATOM 303 CD1 LEU A 18 7.050 -52.350 2.971 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.957 -50.561 1.597 1.00 0.00 C ATOM 0 H LEU A 18 7.231 -53.032 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 18 7.518 -50.158 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.717 -52.563 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.754 -50.900 1.362 1.00 0.00 H new ATOM 0 HG LEU A 18 6.256 -52.587 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.093 -52.495 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.587 -53.298 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.642 -51.620 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.024 -50.765 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.506 -49.779 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.736 -50.230 0.582 1.00 0.00 H new ATOM 316 N LYS A 19 9.991 -51.956 -1.881 1.00 0.00 N ATOM 317 CA LYS A 19 11.032 -51.737 -2.887 1.00 0.00 C ATOM 318 C LYS A 19 10.489 -51.107 -4.195 1.00 0.00 C ATOM 319 O LYS A 19 11.228 -50.365 -4.840 1.00 0.00 O ATOM 320 CB LYS A 19 11.816 -53.050 -3.156 1.00 0.00 C ATOM 321 CG LYS A 19 11.061 -54.197 -3.879 1.00 0.00 C ATOM 322 CD LYS A 19 11.232 -54.177 -5.417 1.00 0.00 C ATOM 323 CE LYS A 19 10.490 -55.310 -6.108 1.00 0.00 C ATOM 324 NZ LYS A 19 10.860 -55.257 -7.513 1.00 0.00 N ATOM 0 H LYS A 19 9.819 -52.931 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 19 11.725 -51.003 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.697 -52.801 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.172 -53.432 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.416 -55.153 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.000 -54.131 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.873 -53.224 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.292 -54.242 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.761 -56.272 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.413 -55.197 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.109 -55.691 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.987 -54.266 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.750 -55.776 -7.658 1.00 0.00 H new ATOM 338 N LYS A 20 9.248 -51.355 -4.657 1.00 0.00 N ATOM 339 CA LYS A 20 8.688 -50.604 -5.789 1.00 0.00 C ATOM 340 C LYS A 20 8.363 -49.136 -5.418 1.00 0.00 C ATOM 341 O LYS A 20 8.268 -48.297 -6.320 1.00 0.00 O ATOM 342 CB LYS A 20 7.431 -51.303 -6.365 1.00 0.00 C ATOM 343 CG LYS A 20 7.386 -51.282 -7.916 1.00 0.00 C ATOM 344 CD LYS A 20 5.987 -50.947 -8.490 1.00 0.00 C ATOM 345 CE LYS A 20 5.851 -49.496 -8.980 1.00 0.00 C ATOM 346 NZ LYS A 20 5.991 -48.567 -7.865 1.00 0.00 N ATOM 0 H LYS A 20 8.624 -52.061 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 20 9.460 -50.587 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.406 -52.337 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.538 -50.815 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.105 -50.549 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.701 -52.255 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.773 -51.622 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.235 -51.134 -7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.611 -49.287 -9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.882 -49.356 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.880 -47.592 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.261 -48.768 -7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.932 -48.678 -7.437 1.00 0.00 H new ATOM 360 N CYS A 21 8.130 -48.814 -4.133 1.00 0.00 N ATOM 361 CA CYS A 21 8.143 -47.438 -3.620 1.00 0.00 C ATOM 362 C CYS A 21 9.543 -46.777 -3.681 1.00 0.00 C ATOM 363 O CYS A 21 9.645 -45.592 -4.025 1.00 0.00 O ATOM 364 CB CYS A 21 7.597 -47.488 -2.186 1.00 0.00 C ATOM 365 SG CYS A 21 6.913 -45.930 -1.582 1.00 0.00 S ATOM 0 H CYS A 21 7.926 -49.511 -3.417 1.00 0.00 H new ATOM 0 HA CYS A 21 7.518 -46.808 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.823 -48.253 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.399 -47.800 -1.517 1.00 0.00 H new ATOM 370 N CYS A 22 10.624 -47.534 -3.384 1.00 0.00 N ATOM 371 CA CYS A 22 11.996 -47.193 -3.825 1.00 0.00 C ATOM 372 C CYS A 22 12.020 -46.837 -5.305 1.00 0.00 C ATOM 373 O CYS A 22 12.445 -45.747 -5.685 1.00 0.00 O ATOM 374 CB CYS A 22 13.032 -48.273 -3.411 1.00 0.00 C ATOM 375 SG CYS A 22 14.683 -47.646 -2.977 1.00 0.00 S ATOM 0 H CYS A 22 10.571 -48.393 -2.836 1.00 0.00 H new ATOM 0 HA CYS A 22 12.312 -46.294 -3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.636 -48.824 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.136 -48.985 -4.230 1.00 0.00 H new ATOM 380 N TYR A 23 11.492 -47.706 -6.142 1.00 0.00 N ATOM 381 CA TYR A 23 11.557 -47.475 -7.572 1.00 0.00 C ATOM 382 C TYR A 23 10.615 -46.351 -8.080 1.00 0.00 C ATOM 383 O TYR A 23 10.908 -45.754 -9.118 1.00 0.00 O ATOM 384 CB TYR A 23 11.500 -48.844 -8.231 1.00 0.00 C ATOM 385 CG TYR A 23 12.595 -49.825 -7.712 1.00 0.00 C ATOM 386 CD1 TYR A 23 13.657 -49.560 -6.807 1.00 0.00 C ATOM 387 CD2 TYR A 23 12.555 -51.086 -8.277 1.00 0.00 C ATOM 388 CE1 TYR A 23 14.620 -50.531 -6.573 1.00 0.00 C ATOM 389 CE2 TYR A 23 13.510 -52.045 -8.027 1.00 0.00 C ATOM 390 CZ TYR A 23 14.547 -51.766 -7.182 1.00 0.00 C ATOM 391 OH TYR A 23 15.481 -52.733 -6.964 1.00 0.00 O ATOM 0 H TYR A 23 11.020 -48.566 -5.864 1.00 0.00 H new ATOM 0 HA TYR A 23 12.497 -47.017 -7.880 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.517 -49.283 -8.057 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.610 -48.725 -9.309 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.715 -48.607 -6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.740 -51.329 -8.943 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.440 -50.316 -5.903 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.440 -53.015 -8.497 1.00 0.00 H new ATOM 0 HH TYR A 23 16.346 -52.315 -6.771 1.00 0.00 H new ATOM 401 N ASP A 24 9.530 -45.999 -7.357 1.00 0.00 N ATOM 402 CA ASP A 24 8.861 -44.688 -7.487 1.00 0.00 C ATOM 403 C ASP A 24 9.803 -43.500 -7.200 1.00 0.00 C ATOM 404 O ASP A 24 9.806 -42.530 -7.959 1.00 0.00 O ATOM 405 CB ASP A 24 7.612 -44.548 -6.567 1.00 0.00 C ATOM 406 CG ASP A 24 6.509 -45.566 -6.832 1.00 0.00 C ATOM 407 OD1 ASP A 24 6.236 -45.917 -7.984 1.00 0.00 O ATOM 408 OD2 ASP A 24 5.917 -46.030 -5.865 1.00 0.00 O ATOM 0 H ASP A 24 9.095 -46.614 -6.669 1.00 0.00 H new ATOM 0 HA ASP A 24 8.546 -44.655 -8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.930 -44.639 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.200 -43.546 -6.687 1.00 0.00 H new ATOM 413 N GLY A 25 10.584 -43.564 -6.108 1.00 0.00 N ATOM 414 CA GLY A 25 11.636 -42.578 -5.809 1.00 0.00 C ATOM 415 C GLY A 25 12.758 -42.488 -6.850 1.00 0.00 C ATOM 416 O GLY A 25 13.200 -41.385 -7.171 1.00 0.00 O ATOM 0 H GLY A 25 10.503 -44.301 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.174 -41.596 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.077 -42.822 -4.843 1.00 0.00 H new ATOM 420 N ALA A 26 13.226 -43.638 -7.358 1.00 0.00 N ATOM 421 CA ALA A 26 14.205 -43.701 -8.449 1.00 0.00 C ATOM 422 C ALA A 26 13.688 -43.106 -9.774 1.00 0.00 C ATOM 423 O ALA A 26 14.430 -42.370 -10.433 1.00 0.00 O ATOM 424 CB ALA A 26 14.666 -45.156 -8.654 1.00 0.00 C ATOM 0 H ALA A 26 12.933 -44.555 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 26 15.050 -43.081 -8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.393 -45.197 -9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.125 -45.525 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.807 -45.778 -8.905 1.00 0.00 H new ATOM 430 N TYR A 27 12.440 -43.385 -10.193 1.00 0.00 N ATOM 431 CA TYR A 27 11.837 -42.724 -11.358 1.00 0.00 C ATOM 432 C TYR A 27 11.451 -41.246 -11.100 1.00 0.00 C ATOM 433 O TYR A 27 10.285 -40.868 -10.937 1.00 0.00 O ATOM 434 CB TYR A 27 10.644 -43.561 -11.902 1.00 0.00 C ATOM 435 CG TYR A 27 11.138 -44.775 -12.704 1.00 0.00 C ATOM 436 CD1 TYR A 27 11.400 -44.683 -14.061 1.00 0.00 C ATOM 437 CD2 TYR A 27 11.341 -46.005 -12.104 1.00 0.00 C ATOM 438 CE1 TYR A 27 11.846 -45.770 -14.788 1.00 0.00 C ATOM 439 CE2 TYR A 27 11.786 -47.098 -12.820 1.00 0.00 C ATOM 440 CZ TYR A 27 12.038 -46.978 -14.162 1.00 0.00 C ATOM 441 OH TYR A 27 12.475 -48.060 -14.856 1.00 0.00 O ATOM 0 H TYR A 27 11.831 -44.066 -9.739 1.00 0.00 H new ATOM 0 HA TYR A 27 12.604 -42.681 -12.131 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.024 -43.898 -11.071 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.015 -42.935 -12.535 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.252 -43.738 -14.563 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.146 -46.113 -11.047 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.043 -45.670 -15.845 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.935 -48.046 -12.324 1.00 0.00 H new ATOM 0 HH TYR A 27 12.554 -48.827 -14.251 1.00 0.00 H new ATOM 451 N ARG A 28 12.488 -40.404 -11.012 1.00 0.00 N ATOM 452 CA ARG A 28 12.357 -38.947 -11.048 1.00 0.00 C ATOM 453 C ARG A 28 12.583 -38.427 -12.486 1.00 0.00 C ATOM 454 O ARG A 28 13.643 -38.645 -13.085 1.00 0.00 O ATOM 455 CB ARG A 28 13.374 -38.353 -10.049 1.00 0.00 C ATOM 456 CG ARG A 28 13.262 -36.825 -9.873 1.00 0.00 C ATOM 457 CD ARG A 28 14.307 -36.302 -8.890 1.00 0.00 C ATOM 458 NE ARG A 28 14.132 -34.855 -8.792 1.00 0.00 N ATOM 459 CZ ARG A 28 14.917 -33.953 -9.300 1.00 0.00 C ATOM 460 NH1 ARG A 28 15.802 -34.130 -10.204 1.00 0.00 N ATOM 461 NH2 ARG A 28 14.715 -32.750 -8.954 1.00 0.00 N ATOM 0 H ARG A 28 13.452 -40.722 -10.913 1.00 0.00 H new ATOM 0 HA ARG A 28 11.353 -38.639 -10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.237 -38.831 -9.079 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.382 -38.597 -10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.390 -36.335 -10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.264 -36.570 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.183 -36.770 -7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.312 -36.544 -9.234 1.00 0.00 H new ATOM 0 HE ARG A 28 13.317 -34.522 -8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.947 -35.058 -10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.364 -33.343 -10.529 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.962 -32.526 -8.303 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.305 -32.006 -9.326 1.00 0.00 H new ATOM 475 N ASN A 29 11.599 -37.708 -13.039 1.00 0.00 N ATOM 476 CA ASN A 29 11.543 -37.403 -14.471 1.00 0.00 C ATOM 477 C ASN A 29 12.340 -36.133 -14.844 1.00 0.00 C ATOM 478 O ASN A 29 13.538 -36.247 -15.110 1.00 0.00 O ATOM 479 CB ASN A 29 10.052 -37.336 -14.927 1.00 0.00 C ATOM 480 CG ASN A 29 9.276 -38.582 -14.498 1.00 0.00 C ATOM 481 OD1 ASN A 29 9.101 -39.529 -15.253 1.00 0.00 O ATOM 482 ND2 ASN A 29 8.784 -38.635 -13.273 1.00 0.00 N ATOM 0 H ASN A 29 10.820 -37.322 -12.505 1.00 0.00 H new ATOM 0 HA ASN A 29 12.035 -38.209 -15.015 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.581 -36.449 -14.503 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.007 -37.234 -16.011 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.266 -39.458 -12.967 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.923 -37.853 -12.633 1.00 0.00 H new ATOM 489 N ASP A 30 11.740 -34.931 -14.876 1.00 0.00 N ATOM 490 CA ASP A 30 12.408 -33.693 -15.294 1.00 0.00 C ATOM 491 C ASP A 30 13.291 -33.074 -14.186 1.00 0.00 C ATOM 492 O ASP A 30 14.518 -33.183 -14.241 1.00 0.00 O ATOM 493 CB ASP A 30 11.345 -32.697 -15.845 1.00 0.00 C ATOM 494 CG ASP A 30 10.552 -33.309 -16.997 1.00 0.00 C ATOM 495 OD1 ASP A 30 9.528 -33.931 -16.724 1.00 0.00 O ATOM 496 OD2 ASP A 30 10.964 -33.147 -18.141 1.00 0.00 O ATOM 0 H ASP A 30 10.765 -34.793 -14.608 1.00 0.00 H new ATOM 0 HA ASP A 30 13.108 -33.935 -16.094 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.663 -32.410 -15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.839 -31.787 -16.185 1.00 0.00 H new ATOM 501 N ASP A 31 12.667 -32.406 -13.199 1.00 0.00 N ATOM 502 CA ASP A 31 13.341 -31.842 -12.024 1.00 0.00 C ATOM 503 C ASP A 31 12.338 -31.517 -10.880 1.00 0.00 C ATOM 504 O ASP A 31 12.445 -30.504 -10.184 1.00 0.00 O ATOM 505 CB ASP A 31 14.213 -30.595 -12.440 1.00 0.00 C ATOM 506 CG ASP A 31 15.301 -30.238 -11.420 1.00 0.00 C ATOM 507 OD1 ASP A 31 15.913 -31.140 -10.834 1.00 0.00 O ATOM 508 OD2 ASP A 31 15.539 -29.051 -11.231 1.00 0.00 O ATOM 0 H ASP A 31 11.660 -32.242 -13.199 1.00 0.00 H new ATOM 0 HA ASP A 31 14.017 -32.596 -11.620 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.682 -30.795 -13.403 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.559 -29.734 -12.577 1.00 0.00 H new ATOM 513 N GLU A 32 11.323 -32.372 -10.687 1.00 0.00 N ATOM 514 CA GLU A 32 10.375 -32.283 -9.569 1.00 0.00 C ATOM 515 C GLU A 32 10.970 -32.680 -8.194 1.00 0.00 C ATOM 516 O GLU A 32 11.985 -33.385 -8.110 1.00 0.00 O ATOM 517 CB GLU A 32 9.098 -33.125 -9.893 1.00 0.00 C ATOM 518 CG GLU A 32 9.264 -34.690 -10.012 1.00 0.00 C ATOM 519 CD GLU A 32 9.802 -35.242 -11.344 1.00 0.00 C ATOM 520 OE1 GLU A 32 10.422 -34.523 -12.134 1.00 0.00 O ATOM 521 OE2 GLU A 32 9.607 -36.435 -11.588 1.00 0.00 O ATOM 0 H GLU A 32 11.136 -33.156 -11.313 1.00 0.00 H new ATOM 0 HA GLU A 32 10.113 -31.230 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.358 -32.924 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.684 -32.759 -10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.931 -35.020 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.293 -35.148 -9.825 1.00 0.00 H new ATOM 528 N THR A 33 10.357 -32.253 -7.079 1.00 0.00 N ATOM 529 CA THR A 33 10.790 -32.711 -5.749 1.00 0.00 C ATOM 530 C THR A 33 10.116 -34.046 -5.390 1.00 0.00 C ATOM 531 O THR A 33 8.932 -34.275 -5.662 1.00 0.00 O ATOM 532 CB THR A 33 10.572 -31.679 -4.607 1.00 0.00 C ATOM 533 OG1 THR A 33 9.202 -31.405 -4.377 1.00 0.00 O ATOM 534 CG2 THR A 33 11.221 -30.331 -4.886 1.00 0.00 C ATOM 0 H THR A 33 9.572 -31.602 -7.070 1.00 0.00 H new ATOM 0 HA THR A 33 11.869 -32.843 -5.829 1.00 0.00 H new ATOM 0 HB THR A 33 11.032 -32.155 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.745 -31.278 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.032 -29.656 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.296 -30.463 -5.009 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.801 -29.907 -5.798 1.00 0.00 H new ATOM 542 N CYS A 34 10.893 -34.951 -4.789 1.00 0.00 N ATOM 543 CA CYS A 34 10.414 -36.275 -4.384 1.00 0.00 C ATOM 544 C CYS A 34 9.310 -36.211 -3.318 1.00 0.00 C ATOM 545 O CYS A 34 8.327 -36.945 -3.381 1.00 0.00 O ATOM 546 CB CYS A 34 11.589 -37.101 -3.835 1.00 0.00 C ATOM 547 SG CYS A 34 12.907 -37.412 -5.034 1.00 0.00 S ATOM 0 H CYS A 34 11.875 -34.785 -4.569 1.00 0.00 H new ATOM 0 HA CYS A 34 9.987 -36.743 -5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.012 -36.582 -2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.209 -38.057 -3.475 1.00 0.00 H new ATOM 552 N GLU A 35 9.486 -35.300 -2.358 1.00 0.00 N ATOM 553 CA GLU A 35 8.573 -35.100 -1.235 1.00 0.00 C ATOM 554 C GLU A 35 7.265 -34.354 -1.576 1.00 0.00 C ATOM 555 O GLU A 35 6.386 -34.325 -0.716 1.00 0.00 O ATOM 556 CB GLU A 35 9.299 -34.517 0.024 1.00 0.00 C ATOM 557 CG GLU A 35 10.273 -33.307 -0.173 1.00 0.00 C ATOM 558 CD GLU A 35 11.619 -33.723 -0.774 1.00 0.00 C ATOM 559 OE1 GLU A 35 12.501 -34.166 -0.034 1.00 0.00 O ATOM 560 OE2 GLU A 35 11.760 -33.641 -1.994 1.00 0.00 O ATOM 0 H GLU A 35 10.286 -34.668 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 35 8.236 -36.104 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.533 -34.214 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.864 -35.326 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.802 -32.569 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.443 -32.823 0.789 1.00 0.00 H new ATOM 567 N GLU A 36 7.055 -33.744 -2.757 1.00 0.00 N ATOM 568 CA GLU A 36 5.702 -33.360 -3.201 1.00 0.00 C ATOM 569 C GLU A 36 4.887 -34.610 -3.623 1.00 0.00 C ATOM 570 O GLU A 36 3.757 -34.852 -3.166 1.00 0.00 O ATOM 571 CB GLU A 36 5.765 -32.234 -4.288 1.00 0.00 C ATOM 572 CG GLU A 36 6.196 -32.656 -5.731 1.00 0.00 C ATOM 573 CD GLU A 36 6.571 -31.475 -6.628 1.00 0.00 C ATOM 574 OE1 GLU A 36 7.752 -31.113 -6.645 1.00 0.00 O ATOM 575 OE2 GLU A 36 5.699 -30.957 -7.318 1.00 0.00 O ATOM 0 H GLU A 36 7.797 -33.508 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 36 5.158 -32.922 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.780 -31.771 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.457 -31.467 -3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.046 -33.334 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.382 -33.211 -6.197 1.00 0.00 H new ATOM 582 N ARG A 37 5.545 -35.460 -4.430 1.00 0.00 N ATOM 583 CA ARG A 37 5.013 -36.755 -4.837 1.00 0.00 C ATOM 584 C ARG A 37 4.818 -37.661 -3.616 1.00 0.00 C ATOM 585 O ARG A 37 3.744 -38.232 -3.458 1.00 0.00 O ATOM 586 CB ARG A 37 5.948 -37.465 -5.844 1.00 0.00 C ATOM 587 CG ARG A 37 6.195 -36.706 -7.163 1.00 0.00 C ATOM 588 CD ARG A 37 6.775 -37.633 -8.242 1.00 0.00 C ATOM 589 NE ARG A 37 8.082 -38.145 -7.825 1.00 0.00 N ATOM 590 CZ ARG A 37 8.808 -38.997 -8.498 1.00 0.00 C ATOM 591 NH1 ARG A 37 8.504 -39.453 -9.656 1.00 0.00 N ATOM 592 NH2 ARG A 37 9.900 -39.409 -7.988 1.00 0.00 N ATOM 0 H ARG A 37 6.467 -35.258 -4.816 1.00 0.00 H new ATOM 0 HA ARG A 37 4.054 -36.571 -5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.909 -37.641 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.526 -38.442 -6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.259 -36.274 -7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.881 -35.878 -6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.092 -38.464 -8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.873 -37.091 -9.182 1.00 0.00 H new ATOM 0 HE ARG A 37 8.456 -37.809 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.643 -39.151 -10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.123 -40.118 -10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.193 -39.073 -7.070 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.482 -40.074 -8.497 1.00 0.00 H new ATOM 606 N ALA A 38 5.828 -37.810 -2.753 1.00 0.00 N ATOM 607 CA ALA A 38 5.710 -38.577 -1.519 1.00 0.00 C ATOM 608 C ALA A 38 5.257 -37.775 -0.274 1.00 0.00 C ATOM 609 O ALA A 38 5.394 -38.222 0.870 1.00 0.00 O ATOM 610 CB ALA A 38 6.974 -39.419 -1.369 1.00 0.00 C ATOM 0 H ALA A 38 6.751 -37.399 -2.895 1.00 0.00 H new ATOM 0 HA ALA A 38 4.860 -39.255 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.914 -40.005 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.068 -40.090 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.844 -38.764 -1.325 1.00 0.00 H new ATOM 616 N ALA A 39 4.707 -36.565 -0.449 1.00 0.00 N ATOM 617 CA ALA A 39 3.516 -36.152 0.294 1.00 0.00 C ATOM 618 C ALA A 39 2.300 -37.001 -0.126 1.00 0.00 C ATOM 619 O ALA A 39 1.712 -37.656 0.741 1.00 0.00 O ATOM 620 CB ALA A 39 3.244 -34.647 0.105 1.00 0.00 C ATOM 0 H ALA A 39 5.067 -35.862 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 39 3.694 -36.321 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.354 -34.365 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.098 -34.075 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.087 -34.436 -0.953 1.00 0.00 H new ATOM 626 N ARG A 40 1.973 -37.060 -1.431 1.00 0.00 N ATOM 627 CA ARG A 40 0.872 -37.903 -1.934 1.00 0.00 C ATOM 628 C ARG A 40 1.081 -39.437 -1.763 1.00 0.00 C ATOM 629 O ARG A 40 0.133 -40.133 -1.380 1.00 0.00 O ATOM 630 CB ARG A 40 0.575 -37.493 -3.411 1.00 0.00 C ATOM 631 CG ARG A 40 -0.481 -38.339 -4.173 1.00 0.00 C ATOM 632 CD ARG A 40 -1.893 -38.309 -3.561 1.00 0.00 C ATOM 633 NE ARG A 40 -2.681 -39.386 -4.161 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.743 -40.617 -3.726 1.00 0.00 C ATOM 635 NH1 ARG A 40 -2.030 -41.113 -2.779 1.00 0.00 N ATOM 636 NH2 ARG A 40 -3.560 -41.404 -4.306 1.00 0.00 N ATOM 0 H ARG A 40 2.457 -36.532 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.000 -37.713 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.246 -36.454 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.510 -37.533 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.538 -37.983 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.139 -39.373 -4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.840 -38.435 -2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.366 -37.345 -3.747 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.229 -39.156 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.344 -40.531 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.150 -42.089 -2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.134 -41.065 -5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.640 -42.373 -3.998 1.00 0.00 H new ATOM 650 N ILE A 41 2.248 -40.022 -2.086 1.00 0.00 N ATOM 651 CA ILE A 41 2.640 -41.386 -1.709 1.00 0.00 C ATOM 652 C ILE A 41 2.850 -41.520 -0.187 1.00 0.00 C ATOM 653 O ILE A 41 3.864 -41.213 0.445 1.00 0.00 O ATOM 654 CB ILE A 41 3.840 -41.957 -2.521 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.559 -42.057 -4.038 1.00 0.00 C ATOM 656 CG2 ILE A 41 4.228 -43.342 -2.081 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.330 -40.972 -4.728 1.00 0.00 C ATOM 0 H ILE A 41 2.963 -39.542 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 41 1.794 -42.015 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 41 4.641 -41.243 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.857 -43.035 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.492 -41.950 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.069 -43.692 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.514 -43.323 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.382 -44.017 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.148 -41.022 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.009 -40.001 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.395 -41.103 -4.534 1.00 0.00 H new ATOM 669 N LYS A 42 1.711 -41.881 0.374 1.00 0.00 N ATOM 670 CA LYS A 42 1.533 -42.147 1.802 1.00 0.00 C ATOM 671 C LYS A 42 1.026 -43.582 2.088 1.00 0.00 C ATOM 672 O LYS A 42 0.141 -43.805 2.918 1.00 0.00 O ATOM 673 CB LYS A 42 0.625 -41.031 2.395 1.00 0.00 C ATOM 674 CG LYS A 42 1.000 -40.643 3.853 1.00 0.00 C ATOM 675 CD LYS A 42 1.746 -39.287 4.028 1.00 0.00 C ATOM 676 CE LYS A 42 3.236 -39.189 3.634 1.00 0.00 C ATOM 677 NZ LYS A 42 3.383 -39.154 2.184 1.00 0.00 N ATOM 0 H LYS A 42 0.853 -42.003 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 42 2.500 -42.113 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.690 -40.145 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.412 -41.365 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.086 -40.611 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.623 -41.434 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.204 -38.538 3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.665 -39.001 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.675 -38.292 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.782 -40.041 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.171 -38.524 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.579 -40.113 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.504 -38.800 1.754 1.00 0.00 H new ATOM 691 N ILE A 43 1.579 -44.579 1.382 1.00 0.00 N ATOM 692 CA ILE A 43 1.202 -45.991 1.552 1.00 0.00 C ATOM 693 C ILE A 43 1.761 -46.583 2.868 1.00 0.00 C ATOM 694 O ILE A 43 1.075 -47.356 3.540 1.00 0.00 O ATOM 695 CB ILE A 43 1.608 -46.810 0.274 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.903 -46.239 -0.996 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.276 -48.322 0.413 1.00 0.00 C ATOM 698 CD1 ILE A 43 1.513 -46.712 -2.336 1.00 0.00 C ATOM 0 H ILE A 43 2.301 -44.430 0.677 1.00 0.00 H new ATOM 0 HA ILE A 43 0.119 -46.060 1.649 1.00 0.00 H new ATOM 0 HB ILE A 43 2.688 -46.710 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.149 -46.522 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.941 -45.150 -0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.575 -48.845 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.816 -48.736 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.204 -48.446 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.962 -46.267 -3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.557 -46.405 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.451 -47.798 -2.401 1.00 0.00 H new ATOM 710 N GLY A 44 2.987 -46.213 3.272 1.00 0.00 N ATOM 711 CA GLY A 44 3.556 -46.643 4.557 1.00 0.00 C ATOM 712 C GLY A 44 4.847 -45.909 4.990 1.00 0.00 C ATOM 713 O GLY A 44 5.504 -45.318 4.125 1.00 0.00 O ATOM 0 H GLY A 44 3.605 -45.614 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.803 -46.506 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.766 -47.711 4.503 1.00 0.00 H new ATOM 717 N PRO A 45 5.265 -45.917 6.285 1.00 0.00 N ATOM 718 CA PRO A 45 6.553 -45.366 6.764 1.00 0.00 C ATOM 719 C PRO A 45 7.807 -45.896 6.038 1.00 0.00 C ATOM 720 O PRO A 45 8.660 -45.115 5.604 1.00 0.00 O ATOM 721 CB PRO A 45 6.578 -45.753 8.254 1.00 0.00 C ATOM 722 CG PRO A 45 5.113 -45.699 8.621 1.00 0.00 C ATOM 723 CD PRO A 45 4.451 -46.370 7.422 1.00 0.00 C ATOM 0 HA PRO A 45 6.598 -44.294 6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.001 -46.745 8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.172 -45.057 8.846 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.907 -46.231 9.550 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.765 -44.675 8.757 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.459 -47.456 7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.409 -46.067 7.316 1.00 0.00 H new ATOM 731 N LYS A 46 7.895 -47.228 5.890 1.00 0.00 N ATOM 732 CA LYS A 46 8.933 -47.897 5.101 1.00 0.00 C ATOM 733 C LYS A 46 8.912 -47.508 3.611 1.00 0.00 C ATOM 734 O LYS A 46 9.974 -47.447 2.989 1.00 0.00 O ATOM 735 CB LYS A 46 8.799 -49.432 5.233 1.00 0.00 C ATOM 736 CG LYS A 46 9.180 -49.989 6.618 1.00 0.00 C ATOM 737 CD LYS A 46 9.094 -51.527 6.604 1.00 0.00 C ATOM 738 CE LYS A 46 9.523 -52.137 7.932 1.00 0.00 C ATOM 739 NZ LYS A 46 9.424 -53.583 7.797 1.00 0.00 N ATOM 0 H LYS A 46 7.236 -47.876 6.322 1.00 0.00 H new ATOM 0 HA LYS A 46 9.888 -47.562 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.770 -49.715 5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.428 -49.905 4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.190 -49.675 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.512 -49.585 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.071 -51.830 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.725 -51.918 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.543 -51.843 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.885 -51.782 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.710 -54.035 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.442 -53.845 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.049 -53.904 7.030 1.00 0.00 H new ATOM 753 N CYS A 47 7.717 -47.227 3.063 1.00 0.00 N ATOM 754 CA CYS A 47 7.530 -46.746 1.693 1.00 0.00 C ATOM 755 C CYS A 47 8.151 -45.347 1.539 1.00 0.00 C ATOM 756 O CYS A 47 9.076 -45.221 0.733 1.00 0.00 O ATOM 757 CB CYS A 47 6.012 -46.738 1.363 1.00 0.00 C ATOM 758 SG CYS A 47 5.437 -46.541 -0.348 1.00 0.00 S ATOM 0 H CYS A 47 6.840 -47.332 3.574 1.00 0.00 H new ATOM 0 HA CYS A 47 8.034 -47.408 0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.598 -47.675 1.735 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.561 -45.936 1.947 1.00 0.00 H new ATOM 763 N VAL A 48 7.710 -44.314 2.293 1.00 0.00 N ATOM 764 CA VAL A 48 8.363 -42.993 2.285 1.00 0.00 C ATOM 765 C VAL A 48 9.886 -43.029 2.516 1.00 0.00 C ATOM 766 O VAL A 48 10.631 -42.284 1.872 1.00 0.00 O ATOM 767 CB VAL A 48 7.732 -41.945 3.270 1.00 0.00 C ATOM 768 CG1 VAL A 48 7.259 -40.746 2.473 1.00 0.00 C ATOM 769 CG2 VAL A 48 6.532 -42.396 4.099 1.00 0.00 C ATOM 0 H VAL A 48 6.903 -44.374 2.914 1.00 0.00 H new ATOM 0 HA VAL A 48 8.176 -42.663 1.263 1.00 0.00 H new ATOM 0 HB VAL A 48 8.538 -41.746 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.819 -40.012 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.105 -40.299 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.512 -41.064 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.199 -41.575 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.721 -42.693 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.818 -43.243 4.722 1.00 0.00 H new ATOM 779 N LYS A 49 10.347 -43.899 3.428 1.00 0.00 N ATOM 780 CA LYS A 49 11.779 -44.103 3.659 1.00 0.00 C ATOM 781 C LYS A 49 12.538 -44.754 2.471 1.00 0.00 C ATOM 782 O LYS A 49 13.567 -44.189 2.079 1.00 0.00 O ATOM 783 CB LYS A 49 11.970 -44.861 4.999 1.00 0.00 C ATOM 784 CG LYS A 49 13.396 -44.751 5.581 1.00 0.00 C ATOM 785 CD LYS A 49 13.777 -43.340 6.113 1.00 0.00 C ATOM 786 CE LYS A 49 15.202 -42.952 5.711 1.00 0.00 C ATOM 787 NZ LYS A 49 15.199 -42.612 4.291 1.00 0.00 N ATOM 0 H LYS A 49 9.744 -44.473 4.017 1.00 0.00 H new ATOM 0 HA LYS A 49 12.246 -43.121 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.259 -44.474 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.730 -45.913 4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.498 -45.470 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 49 14.111 -45.038 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.075 -42.602 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.688 -43.324 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.547 -42.105 6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.889 -43.776 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.164 -42.692 3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.571 -43.264 3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.859 -41.637 4.168 1.00 0.00 H new ATOM 801 N ALA A 50 12.073 -45.884 1.887 1.00 0.00 N ATOM 802 CA ALA A 50 12.568 -46.454 0.612 1.00 0.00 C ATOM 803 C ALA A 50 12.561 -45.390 -0.513 1.00 0.00 C ATOM 804 O ALA A 50 13.582 -45.186 -1.175 1.00 0.00 O ATOM 805 CB ALA A 50 11.658 -47.657 0.240 1.00 0.00 C ATOM 0 H ALA A 50 11.324 -46.439 2.301 1.00 0.00 H new ATOM 0 HA ALA A 50 13.600 -46.786 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.001 -48.096 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.704 -48.406 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.630 -47.314 0.125 1.00 0.00 H new ATOM 811 N PHE A 51 11.434 -44.660 -0.655 1.00 0.00 N ATOM 812 CA PHE A 51 11.251 -43.557 -1.609 1.00 0.00 C ATOM 813 C PHE A 51 12.343 -42.480 -1.468 1.00 0.00 C ATOM 814 O PHE A 51 13.006 -42.156 -2.455 1.00 0.00 O ATOM 815 CB PHE A 51 9.844 -42.927 -1.341 1.00 0.00 C ATOM 816 CG PHE A 51 9.251 -42.131 -2.515 1.00 0.00 C ATOM 817 CD1 PHE A 51 9.822 -40.972 -3.018 1.00 0.00 C ATOM 818 CD2 PHE A 51 8.125 -42.596 -3.166 1.00 0.00 C ATOM 819 CE1 PHE A 51 9.308 -40.340 -4.136 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.613 -41.981 -4.272 1.00 0.00 C ATOM 821 CZ PHE A 51 8.202 -40.847 -4.778 1.00 0.00 C ATOM 0 H PHE A 51 10.603 -44.831 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 51 11.324 -43.948 -2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.150 -43.725 -1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.917 -42.268 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.687 -40.553 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.632 -43.478 -2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.779 -39.442 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.737 -42.389 -4.754 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.806 -40.365 -5.659 1.00 0.00 H new ATOM 831 N LYS A 52 12.536 -41.925 -0.259 1.00 0.00 N ATOM 832 CA LYS A 52 13.548 -40.898 -0.007 1.00 0.00 C ATOM 833 C LYS A 52 15.005 -41.403 -0.182 1.00 0.00 C ATOM 834 O LYS A 52 15.857 -40.647 -0.662 1.00 0.00 O ATOM 835 CB LYS A 52 13.283 -40.262 1.388 1.00 0.00 C ATOM 836 CG LYS A 52 14.132 -39.016 1.762 1.00 0.00 C ATOM 837 CD LYS A 52 13.895 -37.777 0.860 1.00 0.00 C ATOM 838 CE LYS A 52 14.756 -36.597 1.312 1.00 0.00 C ATOM 839 NZ LYS A 52 14.674 -35.542 0.309 1.00 0.00 N ATOM 0 H LYS A 52 11.993 -42.179 0.566 1.00 0.00 H new ATOM 0 HA LYS A 52 13.452 -40.126 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.230 -39.984 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.449 -41.026 2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.917 -38.743 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.187 -39.285 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.128 -38.026 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.842 -37.496 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.411 -36.227 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.791 -36.913 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.243 -34.727 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.037 -35.897 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.683 -35.248 0.194 1.00 0.00 H new ATOM 853 N ASP A 53 15.327 -42.667 0.158 1.00 0.00 N ATOM 854 CA ASP A 53 16.654 -43.241 -0.123 1.00 0.00 C ATOM 855 C ASP A 53 16.955 -43.370 -1.639 1.00 0.00 C ATOM 856 O ASP A 53 18.013 -42.942 -2.129 1.00 0.00 O ATOM 857 CB ASP A 53 16.804 -44.611 0.606 1.00 0.00 C ATOM 858 CG ASP A 53 16.750 -44.518 2.132 1.00 0.00 C ATOM 859 OD1 ASP A 53 17.141 -43.500 2.713 1.00 0.00 O ATOM 860 OD2 ASP A 53 16.302 -45.482 2.758 1.00 0.00 O ATOM 0 H ASP A 53 14.686 -43.307 0.627 1.00 0.00 H new ATOM 0 HA ASP A 53 17.397 -42.545 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.013 -45.280 0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.752 -45.064 0.314 1.00 0.00 H new ATOM 865 N CYS A 54 16.028 -43.968 -2.399 1.00 0.00 N ATOM 866 CA CYS A 54 16.102 -43.958 -3.862 1.00 0.00 C ATOM 867 C CYS A 54 16.004 -42.551 -4.502 1.00 0.00 C ATOM 868 O CYS A 54 16.538 -42.360 -5.598 1.00 0.00 O ATOM 869 CB CYS A 54 15.060 -44.917 -4.440 1.00 0.00 C ATOM 870 SG CYS A 54 15.517 -46.673 -4.543 1.00 0.00 S ATOM 0 H CYS A 54 15.220 -44.464 -2.023 1.00 0.00 H new ATOM 0 HA CYS A 54 17.102 -44.304 -4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 54 14.156 -44.838 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.805 -44.575 -5.443 1.00 0.00 H new ATOM 875 N CYS A 55 15.340 -41.564 -3.874 1.00 0.00 N ATOM 876 CA CYS A 55 15.484 -40.143 -4.227 1.00 0.00 C ATOM 877 C CYS A 55 16.931 -39.628 -4.078 1.00 0.00 C ATOM 878 O CYS A 55 17.396 -38.873 -4.938 1.00 0.00 O ATOM 879 CB CYS A 55 14.533 -39.289 -3.366 1.00 0.00 C ATOM 880 SG CYS A 55 14.492 -37.529 -3.797 1.00 0.00 S ATOM 0 H CYS A 55 14.688 -41.731 -3.107 1.00 0.00 H new ATOM 0 HA CYS A 55 15.222 -40.051 -5.281 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.525 -39.694 -3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.826 -39.386 -2.321 1.00 0.00 H new ATOM 885 N TYR A 56 17.655 -39.993 -3.006 1.00 0.00 N ATOM 886 CA TYR A 56 19.104 -39.766 -2.934 1.00 0.00 C ATOM 887 C TYR A 56 19.891 -40.455 -4.067 1.00 0.00 C ATOM 888 O TYR A 56 20.880 -39.872 -4.522 1.00 0.00 O ATOM 889 CB TYR A 56 19.678 -40.155 -1.550 1.00 0.00 C ATOM 890 CG TYR A 56 19.406 -39.067 -0.501 1.00 0.00 C ATOM 891 CD1 TYR A 56 20.133 -37.887 -0.489 1.00 0.00 C ATOM 892 CD2 TYR A 56 18.470 -39.243 0.501 1.00 0.00 C ATOM 893 CE1 TYR A 56 19.937 -36.928 0.484 1.00 0.00 C ATOM 894 CE2 TYR A 56 18.271 -38.292 1.482 1.00 0.00 C ATOM 895 CZ TYR A 56 19.007 -37.133 1.470 1.00 0.00 C ATOM 896 OH TYR A 56 18.824 -36.183 2.422 1.00 0.00 O ATOM 0 H TYR A 56 17.260 -40.445 -2.181 1.00 0.00 H new ATOM 0 HA TYR A 56 19.237 -38.693 -3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 56 19.235 -41.096 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 56 20.752 -40.320 -1.634 1.00 0.00 H new ATOM 0 HD1 TYR A 56 20.870 -37.714 -1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.880 -40.147 0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 56 20.516 -36.016 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.538 -38.459 2.257 1.00 0.00 H new ATOM 0 HH TYR A 56 18.130 -36.477 3.048 1.00 0.00 H new ATOM 906 N ILE A 57 19.535 -41.670 -4.527 1.00 0.00 N ATOM 907 CA ILE A 57 20.052 -42.194 -5.817 1.00 0.00 C ATOM 908 C ILE A 57 19.707 -41.312 -7.028 1.00 0.00 C ATOM 909 O ILE A 57 20.603 -40.952 -7.795 1.00 0.00 O ATOM 910 CB ILE A 57 19.613 -43.678 -6.088 1.00 0.00 C ATOM 911 CG1 ILE A 57 20.106 -44.664 -5.014 1.00 0.00 C ATOM 912 CG2 ILE A 57 19.979 -44.249 -7.488 1.00 0.00 C ATOM 913 CD1 ILE A 57 21.599 -44.546 -4.668 1.00 0.00 C ATOM 0 H ILE A 57 18.902 -42.302 -4.037 1.00 0.00 H new ATOM 0 HA ILE A 57 21.136 -42.171 -5.700 1.00 0.00 H new ATOM 0 HB ILE A 57 18.527 -43.596 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.524 -44.511 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.905 -45.680 -5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.628 -45.278 -7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.505 -43.646 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.061 -44.223 -7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.854 -45.279 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 57 22.195 -44.731 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.808 -43.544 -4.294 1.00 0.00 H new ATOM 925 N ALA A 58 18.425 -40.975 -7.190 1.00 0.00 N ATOM 926 CA ALA A 58 17.943 -40.077 -8.251 1.00 0.00 C ATOM 927 C ALA A 58 18.663 -38.708 -8.291 1.00 0.00 C ATOM 928 O ALA A 58 18.950 -38.199 -9.378 1.00 0.00 O ATOM 929 CB ALA A 58 16.429 -39.884 -8.098 1.00 0.00 C ATOM 0 H ALA A 58 17.681 -41.320 -6.583 1.00 0.00 H new ATOM 0 HA ALA A 58 18.175 -40.556 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.066 -39.219 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.929 -40.849 -8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.215 -39.446 -7.123 1.00 0.00 H new ATOM 935 N ASN A 59 18.950 -38.108 -7.124 1.00 0.00 N ATOM 936 CA ASN A 59 19.811 -36.923 -7.001 1.00 0.00 C ATOM 937 C ASN A 59 21.298 -37.176 -7.334 1.00 0.00 C ATOM 938 O ASN A 59 21.903 -36.328 -7.995 1.00 0.00 O ATOM 939 CB ASN A 59 19.655 -36.279 -5.599 1.00 0.00 C ATOM 940 CG ASN A 59 18.316 -35.554 -5.472 1.00 0.00 C ATOM 941 OD1 ASN A 59 18.262 -34.332 -5.430 1.00 0.00 O ATOM 942 ND2 ASN A 59 17.188 -36.231 -5.406 1.00 0.00 N ATOM 0 H ASN A 59 18.586 -38.437 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 59 19.463 -36.225 -7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.729 -37.049 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.470 -35.577 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.300 -35.736 -5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.202 -37.250 -5.439 1.00 0.00 H new ATOM 949 N GLN A 60 21.913 -38.292 -6.900 1.00 0.00 N ATOM 950 CA GLN A 60 23.256 -38.691 -7.353 1.00 0.00 C ATOM 951 C GLN A 60 23.331 -38.920 -8.877 1.00 0.00 C ATOM 952 O GLN A 60 24.244 -38.392 -9.511 1.00 0.00 O ATOM 953 CB GLN A 60 23.746 -39.941 -6.573 1.00 0.00 C ATOM 954 CG GLN A 60 24.231 -39.601 -5.134 1.00 0.00 C ATOM 955 CD GLN A 60 24.276 -40.842 -4.238 1.00 0.00 C ATOM 956 OE1 GLN A 60 25.306 -41.450 -3.975 1.00 0.00 O ATOM 957 NE2 GLN A 60 23.140 -41.253 -3.715 1.00 0.00 N ATOM 0 H GLN A 60 21.495 -38.938 -6.230 1.00 0.00 H new ATOM 0 HA GLN A 60 23.925 -37.858 -7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.937 -40.669 -6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.560 -40.412 -7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 60 25.223 -39.152 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.566 -38.859 -4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.273 -40.757 -3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.126 -42.067 -3.100 1.00 0.00 H new ATOM 966 N VAL A 61 22.374 -39.643 -9.484 1.00 0.00 N ATOM 967 CA VAL A 61 22.275 -39.805 -10.946 1.00 0.00 C ATOM 968 C VAL A 61 22.049 -38.464 -11.684 1.00 0.00 C ATOM 969 O VAL A 61 22.617 -38.252 -12.757 1.00 0.00 O ATOM 970 CB VAL A 61 21.181 -40.873 -11.293 1.00 0.00 C ATOM 971 CG1 VAL A 61 20.904 -41.053 -12.804 1.00 0.00 C ATOM 972 CG2 VAL A 61 21.583 -42.263 -10.756 1.00 0.00 C ATOM 0 H VAL A 61 21.642 -40.135 -8.971 1.00 0.00 H new ATOM 0 HA VAL A 61 23.236 -40.170 -11.309 1.00 0.00 H new ATOM 0 HB VAL A 61 20.279 -40.484 -10.821 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.134 -41.811 -12.945 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.564 -40.108 -13.227 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.819 -41.367 -13.307 1.00 0.00 H new ATOM 0 HG21 VAL A 61 20.809 -42.988 -11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 61 22.527 -42.568 -11.207 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.697 -42.216 -9.673 1.00 0.00 H new ATOM 982 N ARG A 62 21.243 -37.545 -11.124 1.00 0.00 N ATOM 983 CA ARG A 62 21.080 -36.180 -11.642 1.00 0.00 C ATOM 984 C ARG A 62 22.391 -35.362 -11.628 1.00 0.00 C ATOM 985 O ARG A 62 22.654 -34.607 -12.568 1.00 0.00 O ATOM 986 CB ARG A 62 19.996 -35.471 -10.787 1.00 0.00 C ATOM 987 CG ARG A 62 19.167 -34.364 -11.489 1.00 0.00 C ATOM 988 CD ARG A 62 18.269 -34.823 -12.664 1.00 0.00 C ATOM 989 NE ARG A 62 17.489 -36.007 -12.286 1.00 0.00 N ATOM 990 CZ ARG A 62 16.407 -36.432 -12.875 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.697 -35.739 -13.682 1.00 0.00 N ATOM 992 NH2 ARG A 62 16.008 -37.602 -12.567 1.00 0.00 N ATOM 0 H ARG A 62 20.683 -37.733 -10.292 1.00 0.00 H new ATOM 0 HA ARG A 62 20.781 -36.245 -12.688 1.00 0.00 H new ATOM 0 HB2 ARG A 62 19.306 -36.229 -10.416 1.00 0.00 H new ATOM 0 HB3 ARG A 62 20.483 -35.031 -9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.535 -33.884 -10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.855 -33.604 -11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.597 -34.015 -12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.886 -35.050 -13.533 1.00 0.00 H new ATOM 0 HE ARG A 62 17.825 -36.547 -11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.966 -34.781 -13.904 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.861 -36.145 -14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.530 -38.157 -11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.166 -37.984 -12.999 1.00 0.00 H new ATOM 1006 N ALA A 63 23.210 -35.490 -10.572 1.00 0.00 N ATOM 1007 CA ALA A 63 24.547 -34.895 -10.515 1.00 0.00 C ATOM 1008 C ALA A 63 25.596 -35.632 -11.377 1.00 0.00 C ATOM 1009 O ALA A 63 26.295 -34.985 -12.162 1.00 0.00 O ATOM 1010 CB ALA A 63 24.986 -34.834 -9.038 1.00 0.00 C ATOM 0 H ALA A 63 22.959 -36.012 -9.732 1.00 0.00 H new ATOM 0 HA ALA A 63 24.487 -33.894 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 63 25.981 -34.393 -8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.281 -34.224 -8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 63 25.007 -35.842 -8.623 1.00 0.00 H new ATOM 1016 N GLU A 64 25.728 -36.966 -11.285 1.00 0.00 N ATOM 1017 CA GLU A 64 26.738 -37.741 -12.023 1.00 0.00 C ATOM 1018 C GLU A 64 26.402 -37.944 -13.524 1.00 0.00 C ATOM 1019 O GLU A 64 26.229 -39.056 -14.029 1.00 0.00 O ATOM 1020 CB GLU A 64 26.966 -39.095 -11.295 1.00 0.00 C ATOM 1021 CG GLU A 64 27.560 -38.936 -9.862 1.00 0.00 C ATOM 1022 CD GLU A 64 27.632 -40.269 -9.116 1.00 0.00 C ATOM 1023 OE1 GLU A 64 26.646 -40.641 -8.481 1.00 0.00 O ATOM 1024 OE2 GLU A 64 28.679 -40.909 -9.167 1.00 0.00 O ATOM 0 H GLU A 64 25.131 -37.541 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 64 27.661 -37.161 -12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 64 26.018 -39.628 -11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.638 -39.711 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 64 28.559 -38.505 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 64 26.949 -38.235 -9.293 1.00 0.00 H new ATOM 1031 N GLN A 65 26.311 -36.832 -14.258 1.00 0.00 N ATOM 1032 CA GLN A 65 26.104 -36.842 -15.709 1.00 0.00 C ATOM 1033 C GLN A 65 27.364 -36.447 -16.511 1.00 0.00 C ATOM 1034 O GLN A 65 27.737 -37.202 -17.408 1.00 0.00 O ATOM 1035 CB GLN A 65 24.898 -35.926 -16.074 1.00 0.00 C ATOM 1036 CG GLN A 65 23.527 -36.485 -15.601 1.00 0.00 C ATOM 1037 CD GLN A 65 22.383 -35.552 -16.001 1.00 0.00 C ATOM 1038 OE1 GLN A 65 21.860 -35.614 -17.106 1.00 0.00 O ATOM 1039 NE2 GLN A 65 21.930 -34.653 -15.149 1.00 0.00 N ATOM 0 H GLN A 65 26.379 -35.895 -13.861 1.00 0.00 H new ATOM 0 HA GLN A 65 25.883 -37.870 -15.995 1.00 0.00 H new ATOM 0 HB2 GLN A 65 25.052 -34.942 -15.631 1.00 0.00 H new ATOM 0 HB3 GLN A 65 24.871 -35.788 -17.155 1.00 0.00 H new ATOM 0 HG2 GLN A 65 23.364 -37.472 -16.035 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.536 -36.610 -14.518 1.00 0.00 H new ATOM 0 HE21 GLN A 65 22.345 -34.576 -14.220 1.00 0.00 H new ATOM 0 HE22 GLN A 65 21.165 -34.035 -15.419 1.00 0.00 H new ATOM 1048 N SER A 66 27.958 -35.400 -16.244 1.00 0.00 N TER 1049 SER A 66