USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 622 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 46 THR OG1 : rot 180:sc= 0.704 USER MOD Set 1.2: A 51 THR OG1 : rot -82:sc= 0.457 USER MOD Set 2.1: A 15 HIS : no HE2:sc= -1.84 X(o=-1.8,f=-2.1!) USER MOD Set 2.2: A 19 MET CE :methyl 171:sc= 0 (180deg=-0.0843) 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.552 USER MOD Single : A 12 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.61) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -0.105 (180deg=-0.409) USER MOD Single : A 23 ASN : amide:sc= -1.01 K(o=-1,f=-1.5) USER MOD Single : A 27 TYR OH : rot 80:sc= -0.54 USER MOD Single : A 29 CYS SG : rot 151:sc= 0.616 USER MOD Single : A 32 SER OG : rot 48:sc= 0.534 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 37 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-1.5) USER MOD Single : A 40 THR OG1 : rot 36:sc= 0.426 USER MOD Single : A 42 THR OG1 : rot -16:sc= 1.03 USER MOD Single : A 52 CYS SG : rot -120:sc= -1.92 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -119:sc= -4.86! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0.00254 (180deg=0.00249) USER MOD Single : A 64 HIS : no HD1:sc= -7.77! C(o=-7.8!,f=-7.9!) USER MOD Single : A 72 ASN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.89! C(o=-2.9!,f=-4.4!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.558 1.395 -2.820 1.00 0.00 N ATOM 2 CA GLY A 1 -33.016 0.373 -1.897 1.00 0.00 C ATOM 3 C GLY A 1 -33.762 0.955 -0.713 1.00 0.00 C ATOM 4 O GLY A 1 -34.974 1.162 -0.775 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.054 0.947 -3.612 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.375 1.925 -3.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.916 2.047 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.666 -0.324 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.160 -0.198 -1.538 1.00 0.00 H new ATOM 8 N SER A 2 -33.038 1.217 0.371 1.00 0.00 N ATOM 9 CA SER A 2 -33.640 1.772 1.577 1.00 0.00 C ATOM 10 C SER A 2 -32.994 3.106 1.942 1.00 0.00 C ATOM 11 O SER A 2 -33.683 4.087 2.218 1.00 0.00 O ATOM 12 CB SER A 2 -33.500 0.790 2.741 1.00 0.00 C ATOM 13 OG SER A 2 -34.388 1.120 3.796 1.00 0.00 O ATOM 0 H SER A 2 -32.033 1.054 0.438 1.00 0.00 H new ATOM 0 HA SER A 2 -34.698 1.942 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.704 -0.223 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.474 0.800 3.108 1.00 0.00 H new ATOM 0 HG SER A 2 -34.281 0.477 4.527 1.00 0.00 H new ATOM 19 N SER A 3 -31.665 3.132 1.941 1.00 0.00 N ATOM 20 CA SER A 3 -30.924 4.343 2.275 1.00 0.00 C ATOM 21 C SER A 3 -30.283 4.948 1.030 1.00 0.00 C ATOM 22 O SER A 3 -29.576 4.267 0.288 1.00 0.00 O ATOM 23 CB SER A 3 -29.848 4.036 3.319 1.00 0.00 C ATOM 24 OG SER A 3 -29.434 5.215 3.986 1.00 0.00 O ATOM 0 H SER A 3 -31.079 2.329 1.713 1.00 0.00 H new ATOM 0 HA SER A 3 -31.626 5.067 2.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.235 3.321 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.991 3.568 2.835 1.00 0.00 H new ATOM 0 HG SER A 3 -28.748 4.992 4.649 1.00 0.00 H new ATOM 30 N GLY A 4 -30.535 6.235 0.809 1.00 0.00 N ATOM 31 CA GLY A 4 -29.976 6.912 -0.347 1.00 0.00 C ATOM 32 C GLY A 4 -28.552 7.377 -0.113 1.00 0.00 C ATOM 33 O GLY A 4 -28.245 8.559 -0.268 1.00 0.00 O ATOM 0 H GLY A 4 -31.116 6.820 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.999 6.240 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.599 7.771 -0.598 1.00 0.00 H new ATOM 37 N SER A 5 -27.681 6.446 0.262 1.00 0.00 N ATOM 38 CA SER A 5 -26.283 6.768 0.523 1.00 0.00 C ATOM 39 C SER A 5 -25.359 5.922 -0.349 1.00 0.00 C ATOM 40 O SER A 5 -24.990 4.807 0.019 1.00 0.00 O ATOM 41 CB SER A 5 -25.953 6.546 2.000 1.00 0.00 C ATOM 42 OG SER A 5 -24.561 6.661 2.235 1.00 0.00 O ATOM 0 H SER A 5 -27.919 5.463 0.392 1.00 0.00 H new ATOM 0 HA SER A 5 -26.126 7.818 0.277 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.489 7.274 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.296 5.558 2.308 1.00 0.00 H new ATOM 0 HG SER A 5 -24.377 6.516 3.187 1.00 0.00 H new ATOM 48 N SER A 6 -24.990 6.462 -1.506 1.00 0.00 N ATOM 49 CA SER A 6 -24.113 5.757 -2.433 1.00 0.00 C ATOM 50 C SER A 6 -22.740 6.421 -2.494 1.00 0.00 C ATOM 51 O SER A 6 -22.633 7.641 -2.610 1.00 0.00 O ATOM 52 CB SER A 6 -24.736 5.719 -3.830 1.00 0.00 C ATOM 53 OG SER A 6 -25.922 4.944 -3.838 1.00 0.00 O ATOM 0 H SER A 6 -25.285 7.385 -1.824 1.00 0.00 H new ATOM 0 HA SER A 6 -23.988 4.736 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.959 6.734 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.021 5.303 -4.539 1.00 0.00 H new ATOM 0 HG SER A 6 -26.302 4.937 -4.741 1.00 0.00 H new ATOM 59 N GLY A 7 -21.692 5.607 -2.414 1.00 0.00 N ATOM 60 CA GLY A 7 -20.340 6.133 -2.462 1.00 0.00 C ATOM 61 C GLY A 7 -19.627 5.783 -3.753 1.00 0.00 C ATOM 62 O GLY A 7 -19.057 4.699 -3.883 1.00 0.00 O ATOM 0 H GLY A 7 -21.755 4.594 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.371 7.217 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.771 5.742 -1.619 1.00 0.00 H new ATOM 66 N LYS A 8 -19.659 6.702 -4.712 1.00 0.00 N ATOM 67 CA LYS A 8 -19.011 6.487 -6.001 1.00 0.00 C ATOM 68 C LYS A 8 -17.518 6.231 -5.823 1.00 0.00 C ATOM 69 O LYS A 8 -16.860 6.876 -5.006 1.00 0.00 O ATOM 70 CB LYS A 8 -19.228 7.697 -6.912 1.00 0.00 C ATOM 71 CG LYS A 8 -20.615 7.753 -7.528 1.00 0.00 C ATOM 72 CD LYS A 8 -20.676 6.984 -8.837 1.00 0.00 C ATOM 73 CE LYS A 8 -22.099 6.893 -9.365 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.203 5.963 -10.524 1.00 0.00 N ATOM 0 H LYS A 8 -20.127 7.604 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.459 5.608 -6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.057 8.608 -6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.486 7.678 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.342 7.340 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.895 8.792 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.043 7.473 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.277 5.981 -8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.761 6.555 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.440 7.884 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.189 5.929 -10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.591 6.299 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.902 5.011 -10.233 1.00 0.00 H new ATOM 88 N THR A 9 -16.988 5.288 -6.595 1.00 0.00 N ATOM 89 CA THR A 9 -15.572 4.949 -6.524 1.00 0.00 C ATOM 90 C THR A 9 -14.705 6.094 -7.035 1.00 0.00 C ATOM 91 O THR A 9 -15.135 6.916 -7.845 1.00 0.00 O ATOM 92 CB THR A 9 -15.257 3.679 -7.337 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.899 4.032 -8.678 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.453 2.739 -7.357 1.00 0.00 C ATOM 0 H THR A 9 -17.518 4.745 -7.277 1.00 0.00 H new ATOM 0 HA THR A 9 -15.344 4.766 -5.474 1.00 0.00 H new ATOM 0 HB THR A 9 -14.421 3.167 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.699 3.219 -9.188 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.207 1.849 -7.937 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.705 2.449 -6.337 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.305 3.244 -7.812 1.00 0.00 H new ATOM 102 N PRO A 10 -13.455 6.151 -6.553 1.00 0.00 N ATOM 103 CA PRO A 10 -12.501 7.191 -6.949 1.00 0.00 C ATOM 104 C PRO A 10 -12.041 7.036 -8.395 1.00 0.00 C ATOM 105 O PRO A 10 -11.516 7.976 -8.993 1.00 0.00 O ATOM 106 CB PRO A 10 -11.327 6.980 -5.989 1.00 0.00 C ATOM 107 CG PRO A 10 -11.411 5.545 -5.598 1.00 0.00 C ATOM 108 CD PRO A 10 -12.876 5.204 -5.585 1.00 0.00 C ATOM 0 HA PRO A 10 -12.939 8.188 -6.896 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.376 7.204 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.404 7.633 -5.119 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.870 4.916 -6.305 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.963 5.381 -4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.051 4.170 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.309 5.329 -4.592 1.00 0.00 H new ATOM 116 N ILE A 11 -12.243 5.846 -8.950 1.00 0.00 N ATOM 117 CA ILE A 11 -11.850 5.570 -10.327 1.00 0.00 C ATOM 118 C ILE A 11 -12.944 5.986 -11.304 1.00 0.00 C ATOM 119 O ILE A 11 -12.659 6.445 -12.410 1.00 0.00 O ATOM 120 CB ILE A 11 -11.533 4.077 -10.533 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.484 3.612 -9.521 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.052 3.830 -11.955 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.070 3.994 -9.897 1.00 0.00 C ATOM 0 H ILE A 11 -12.676 5.058 -8.468 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.951 6.154 -10.522 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.444 3.501 -10.373 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.719 4.037 -8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.544 2.528 -9.420 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.832 2.771 -12.086 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.829 4.129 -12.659 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.150 4.414 -12.141 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.380 3.632 -9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.816 3.547 -10.858 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.993 5.079 -9.970 1.00 0.00 H new ATOM 135 N GLN A 12 -14.195 5.823 -10.888 1.00 0.00 N ATOM 136 CA GLN A 12 -15.333 6.183 -11.727 1.00 0.00 C ATOM 137 C GLN A 12 -15.540 7.693 -11.744 1.00 0.00 C ATOM 138 O GLN A 12 -15.788 8.284 -12.795 1.00 0.00 O ATOM 139 CB GLN A 12 -16.601 5.487 -11.229 1.00 0.00 C ATOM 140 CG GLN A 12 -16.731 4.048 -11.700 1.00 0.00 C ATOM 141 CD GLN A 12 -16.303 3.865 -13.143 1.00 0.00 C ATOM 142 OE1 GLN A 12 -17.018 4.252 -14.068 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.131 3.274 -13.343 1.00 0.00 N ATOM 0 H GLN A 12 -14.447 5.444 -9.975 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.122 5.853 -12.744 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.612 5.506 -10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.471 6.051 -11.566 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.126 3.405 -11.061 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.766 3.725 -11.588 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.571 2.969 -12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.791 3.125 -14.293 1.00 0.00 H new ATOM 152 N VAL A 13 -15.437 8.313 -10.573 1.00 0.00 N ATOM 153 CA VAL A 13 -15.612 9.756 -10.453 1.00 0.00 C ATOM 154 C VAL A 13 -14.527 10.507 -11.217 1.00 0.00 C ATOM 155 O VAL A 13 -14.809 11.207 -12.191 1.00 0.00 O ATOM 156 CB VAL A 13 -15.591 10.204 -8.980 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.649 11.721 -8.882 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.740 9.567 -8.213 1.00 0.00 C ATOM 0 H VAL A 13 -15.233 7.839 -9.693 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.585 9.993 -10.883 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.656 9.871 -8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.633 12.019 -7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.789 12.152 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.567 12.081 -9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.710 9.895 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.687 9.868 -8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.647 8.482 -8.254 1.00 0.00 H new ATOM 168 N LEU A 14 -13.286 10.357 -10.770 1.00 0.00 N ATOM 169 CA LEU A 14 -12.156 11.020 -11.412 1.00 0.00 C ATOM 170 C LEU A 14 -12.297 10.989 -12.931 1.00 0.00 C ATOM 171 O LEU A 14 -12.456 12.028 -13.572 1.00 0.00 O ATOM 172 CB LEU A 14 -10.844 10.353 -10.997 1.00 0.00 C ATOM 173 CG LEU A 14 -9.615 11.262 -10.946 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.339 10.435 -10.955 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.627 12.240 -12.112 1.00 0.00 C ATOM 0 H LEU A 14 -13.036 9.782 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.146 12.061 -11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.982 9.907 -10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.639 9.537 -11.690 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.647 11.833 -10.018 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.475 11.099 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.327 9.775 -10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.299 9.837 -11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.745 12.879 -12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.619 11.687 -13.051 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.525 12.856 -12.061 1.00 0.00 H new ATOM 187 N HIS A 15 -12.240 9.789 -13.500 1.00 0.00 N ATOM 188 CA HIS A 15 -12.364 9.622 -14.944 1.00 0.00 C ATOM 189 C HIS A 15 -13.614 10.323 -15.467 1.00 0.00 C ATOM 190 O HIS A 15 -13.524 11.318 -16.185 1.00 0.00 O ATOM 191 CB HIS A 15 -12.410 8.137 -15.305 1.00 0.00 C ATOM 192 CG HIS A 15 -12.428 7.879 -16.780 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.315 8.018 -17.582 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.432 7.486 -17.598 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.634 7.724 -18.829 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.914 7.397 -18.866 1.00 0.00 N ATOM 0 H HIS A 15 -12.109 8.919 -12.984 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.491 10.076 -15.413 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.545 7.638 -14.868 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.297 7.690 -14.855 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.390 8.303 -17.262 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.452 7.281 -17.307 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.963 7.747 -19.675 1.00 0.00 H new ATOM 204 N GLU A 16 -14.779 9.796 -15.101 1.00 0.00 N ATOM 205 CA GLU A 16 -16.047 10.371 -15.535 1.00 0.00 C ATOM 206 C GLU A 16 -15.973 11.895 -15.558 1.00 0.00 C ATOM 207 O GLU A 16 -16.487 12.539 -16.473 1.00 0.00 O ATOM 208 CB GLU A 16 -17.180 9.918 -14.613 1.00 0.00 C ATOM 209 CG GLU A 16 -17.596 8.472 -14.825 1.00 0.00 C ATOM 210 CD GLU A 16 -18.505 8.296 -16.026 1.00 0.00 C ATOM 211 OE1 GLU A 16 -18.142 8.778 -17.119 1.00 0.00 O ATOM 212 OE2 GLU A 16 -19.579 7.677 -15.872 1.00 0.00 O ATOM 0 H GLU A 16 -14.871 8.973 -14.506 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.249 10.019 -16.547 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.868 10.049 -13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.045 10.563 -14.770 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.705 7.857 -14.955 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.106 8.110 -13.932 1.00 0.00 H new ATOM 219 N TYR A 17 -15.331 12.465 -14.545 1.00 0.00 N ATOM 220 CA TYR A 17 -15.193 13.913 -14.446 1.00 0.00 C ATOM 221 C TYR A 17 -14.311 14.454 -15.567 1.00 0.00 C ATOM 222 O TYR A 17 -14.657 15.433 -16.227 1.00 0.00 O ATOM 223 CB TYR A 17 -14.603 14.299 -13.088 1.00 0.00 C ATOM 224 CG TYR A 17 -13.931 15.653 -13.081 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.648 16.808 -13.366 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.578 15.777 -12.790 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.037 18.047 -13.363 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.959 17.012 -12.783 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.692 18.144 -13.070 1.00 0.00 C ATOM 230 OH TYR A 17 -12.080 19.376 -13.064 1.00 0.00 O ATOM 0 H TYR A 17 -14.898 11.947 -13.781 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.185 14.354 -14.543 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.397 14.293 -12.342 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.879 13.542 -12.788 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.701 16.736 -13.594 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.000 14.893 -12.565 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.609 18.935 -13.589 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.906 17.090 -12.554 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.132 19.269 -12.838 1.00 0.00 H new ATOM 240 N GLY A 18 -13.168 13.807 -15.777 1.00 0.00 N ATOM 241 CA GLY A 18 -12.254 14.236 -16.819 1.00 0.00 C ATOM 242 C GLY A 18 -12.975 14.706 -18.066 1.00 0.00 C ATOM 243 O GLY A 18 -12.794 15.841 -18.506 1.00 0.00 O ATOM 0 H GLY A 18 -12.859 12.994 -15.244 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.628 15.043 -16.439 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.589 13.412 -17.077 1.00 0.00 H new ATOM 247 N MET A 19 -13.795 13.831 -18.639 1.00 0.00 N ATOM 248 CA MET A 19 -14.546 14.163 -19.844 1.00 0.00 C ATOM 249 C MET A 19 -15.132 15.568 -19.750 1.00 0.00 C ATOM 250 O MET A 19 -15.183 16.298 -20.740 1.00 0.00 O ATOM 251 CB MET A 19 -15.666 13.145 -20.070 1.00 0.00 C ATOM 252 CG MET A 19 -15.171 11.711 -20.178 1.00 0.00 C ATOM 253 SD MET A 19 -16.517 10.522 -20.336 1.00 0.00 S ATOM 254 CE MET A 19 -15.784 9.077 -19.574 1.00 0.00 C ATOM 0 H MET A 19 -13.956 12.887 -18.288 1.00 0.00 H new ATOM 0 HA MET A 19 -13.859 14.131 -20.690 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.379 13.214 -19.249 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.204 13.405 -20.982 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.510 11.623 -21.040 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.578 11.468 -19.296 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.544 8.306 -19.450 1.00 0.00 H new ATOM 0 HE2 MET A 19 -14.983 8.698 -20.208 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.378 9.346 -18.599 1.00 0.00 H new ATOM 264 N LYS A 20 -15.573 15.941 -18.554 1.00 0.00 N ATOM 265 CA LYS A 20 -16.155 17.259 -18.329 1.00 0.00 C ATOM 266 C LYS A 20 -15.167 18.360 -18.700 1.00 0.00 C ATOM 267 O LYS A 20 -15.486 19.258 -19.481 1.00 0.00 O ATOM 268 CB LYS A 20 -16.577 17.410 -16.865 1.00 0.00 C ATOM 269 CG LYS A 20 -17.433 16.263 -16.358 1.00 0.00 C ATOM 270 CD LYS A 20 -18.913 16.538 -16.567 1.00 0.00 C ATOM 271 CE LYS A 20 -19.480 17.411 -15.458 1.00 0.00 C ATOM 272 NZ LYS A 20 -20.730 18.101 -15.880 1.00 0.00 N ATOM 0 H LYS A 20 -15.539 15.349 -17.724 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.034 17.354 -18.966 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.684 17.488 -16.244 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.129 18.343 -16.749 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -17.156 15.344 -16.875 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.238 16.103 -15.298 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.061 17.029 -17.529 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.458 15.595 -16.603 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.683 16.797 -14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.737 18.153 -15.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -21.085 18.686 -15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.532 18.706 -16.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.448 17.393 -16.136 1.00 0.00 H new ATOM 286 N THR A 21 -13.964 18.285 -18.138 1.00 0.00 N ATOM 287 CA THR A 21 -12.930 19.275 -18.411 1.00 0.00 C ATOM 288 C THR A 21 -12.115 18.893 -19.641 1.00 0.00 C ATOM 289 O THR A 21 -10.989 19.357 -19.821 1.00 0.00 O ATOM 290 CB THR A 21 -11.980 19.439 -17.210 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.365 18.185 -16.896 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.730 19.961 -15.994 1.00 0.00 C ATOM 0 H THR A 21 -13.682 17.549 -17.491 1.00 0.00 H new ATOM 0 HA THR A 21 -13.438 20.222 -18.595 1.00 0.00 H new ATOM 0 HB THR A 21 -11.210 20.162 -17.480 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.762 18.299 -16.132 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.038 20.069 -15.158 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.171 20.930 -16.227 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.519 19.259 -15.724 1.00 0.00 H new ATOM 300 N LYS A 22 -12.690 18.046 -20.487 1.00 0.00 N ATOM 301 CA LYS A 22 -12.018 17.603 -21.703 1.00 0.00 C ATOM 302 C LYS A 22 -10.631 17.053 -21.388 1.00 0.00 C ATOM 303 O LYS A 22 -9.744 17.055 -22.241 1.00 0.00 O ATOM 304 CB LYS A 22 -11.907 18.759 -22.699 1.00 0.00 C ATOM 305 CG LYS A 22 -13.248 19.352 -23.095 1.00 0.00 C ATOM 306 CD LYS A 22 -13.737 20.360 -22.069 1.00 0.00 C ATOM 307 CE LYS A 22 -15.083 20.949 -22.463 1.00 0.00 C ATOM 308 NZ LYS A 22 -16.058 19.892 -22.849 1.00 0.00 N ATOM 0 H LYS A 22 -13.621 17.652 -20.353 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.613 16.805 -22.148 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.287 19.543 -22.265 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.396 18.407 -23.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.160 19.835 -24.068 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.983 18.554 -23.201 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.821 19.878 -21.095 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.004 21.161 -21.966 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.484 21.527 -21.631 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.948 21.640 -23.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.023 20.216 -22.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.973 19.697 -23.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.859 19.024 -22.312 1.00 0.00 H new ATOM 322 N ASN A 23 -10.451 16.582 -20.159 1.00 0.00 N ATOM 323 CA ASN A 23 -9.171 16.028 -19.732 1.00 0.00 C ATOM 324 C ASN A 23 -9.368 14.707 -18.994 1.00 0.00 C ATOM 325 O ASN A 23 -9.921 14.676 -17.894 1.00 0.00 O ATOM 326 CB ASN A 23 -8.435 17.023 -18.832 1.00 0.00 C ATOM 327 CG ASN A 23 -8.308 18.394 -19.469 1.00 0.00 C ATOM 328 OD1 ASN A 23 -8.126 18.513 -20.680 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.403 19.436 -18.652 1.00 0.00 N ATOM 0 H ASN A 23 -11.175 16.573 -19.441 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.570 15.840 -20.622 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.966 17.113 -17.884 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.441 16.637 -18.605 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.325 20.383 -19.022 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.554 19.289 -17.654 1.00 0.00 H new ATOM 336 N ILE A 24 -8.912 13.620 -19.607 1.00 0.00 N ATOM 337 CA ILE A 24 -9.037 12.297 -19.007 1.00 0.00 C ATOM 338 C ILE A 24 -7.795 11.941 -18.197 1.00 0.00 C ATOM 339 O ILE A 24 -6.663 12.200 -18.604 1.00 0.00 O ATOM 340 CB ILE A 24 -9.266 11.213 -20.077 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.550 11.500 -20.859 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.329 9.837 -19.432 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.782 11.585 -19.986 1.00 0.00 C ATOM 0 H ILE A 24 -8.453 13.629 -20.518 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.902 12.331 -18.345 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.428 11.228 -20.773 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.433 12.438 -21.402 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.695 10.717 -21.603 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.491 9.082 -20.201 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.391 9.634 -18.916 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.150 9.808 -18.716 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.654 11.790 -20.607 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.923 10.639 -19.463 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.658 12.387 -19.258 1.00 0.00 H new ATOM 355 N PRO A 25 -8.011 11.332 -17.021 1.00 0.00 N ATOM 356 CA PRO A 25 -6.921 10.924 -16.130 1.00 0.00 C ATOM 357 C PRO A 25 -6.112 9.763 -16.696 1.00 0.00 C ATOM 358 O PRO A 25 -6.604 8.638 -16.790 1.00 0.00 O ATOM 359 CB PRO A 25 -7.648 10.497 -14.852 1.00 0.00 C ATOM 360 CG PRO A 25 -9.010 10.100 -15.307 1.00 0.00 C ATOM 361 CD PRO A 25 -9.334 10.992 -16.473 1.00 0.00 C ATOM 0 HA PRO A 25 -6.198 11.725 -15.978 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.136 9.668 -14.363 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.694 11.313 -14.131 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.033 9.051 -15.601 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.740 10.223 -14.507 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.955 10.481 -17.209 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.879 11.882 -16.159 1.00 0.00 H new ATOM 369 N VAL A 26 -4.868 10.041 -17.072 1.00 0.00 N ATOM 370 CA VAL A 26 -3.990 9.018 -17.627 1.00 0.00 C ATOM 371 C VAL A 26 -3.413 8.133 -16.528 1.00 0.00 C ATOM 372 O VAL A 26 -3.164 8.592 -15.413 1.00 0.00 O ATOM 373 CB VAL A 26 -2.832 9.646 -18.426 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.364 10.639 -19.448 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.839 10.315 -17.488 1.00 0.00 C ATOM 0 H VAL A 26 -4.445 10.967 -17.002 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.597 8.410 -18.298 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.312 8.852 -18.963 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.531 11.072 -20.002 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.033 10.126 -20.139 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.910 11.431 -18.936 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.028 10.753 -18.069 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.344 11.098 -16.922 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.433 9.574 -16.800 1.00 0.00 H new ATOM 385 N TYR A 27 -3.202 6.862 -16.851 1.00 0.00 N ATOM 386 CA TYR A 27 -2.656 5.910 -15.890 1.00 0.00 C ATOM 387 C TYR A 27 -1.516 5.107 -16.507 1.00 0.00 C ATOM 388 O TYR A 27 -1.716 4.356 -17.461 1.00 0.00 O ATOM 389 CB TYR A 27 -3.753 4.964 -15.398 1.00 0.00 C ATOM 390 CG TYR A 27 -4.838 5.656 -14.604 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.844 6.372 -15.242 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.858 5.593 -13.216 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.837 7.006 -14.520 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.848 6.223 -12.487 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.835 6.928 -13.143 1.00 0.00 C ATOM 396 OH TYR A 27 -7.823 7.558 -12.421 1.00 0.00 O ATOM 0 H TYR A 27 -3.400 6.467 -17.770 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.263 6.472 -15.043 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.204 4.466 -16.257 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.302 4.188 -14.780 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.850 6.434 -16.320 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.087 5.042 -12.698 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.611 7.560 -15.031 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.849 6.164 -11.409 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.634 7.009 -12.428 1.00 0.00 H new ATOM 406 N GLU A 28 -0.318 5.271 -15.954 1.00 0.00 N ATOM 407 CA GLU A 28 0.856 4.562 -16.449 1.00 0.00 C ATOM 408 C GLU A 28 1.638 3.934 -15.299 1.00 0.00 C ATOM 409 O GLU A 28 1.932 4.593 -14.302 1.00 0.00 O ATOM 410 CB GLU A 28 1.760 5.513 -17.236 1.00 0.00 C ATOM 411 CG GLU A 28 1.467 5.538 -18.727 1.00 0.00 C ATOM 412 CD GLU A 28 0.433 6.582 -19.101 1.00 0.00 C ATOM 413 OE1 GLU A 28 -0.371 6.962 -18.225 1.00 0.00 O ATOM 414 OE2 GLU A 28 0.429 7.020 -20.271 1.00 0.00 O ATOM 0 H GLU A 28 -0.135 5.889 -15.163 1.00 0.00 H new ATOM 0 HA GLU A 28 0.515 3.766 -17.111 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.649 6.521 -16.836 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.799 5.222 -17.083 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.390 5.735 -19.272 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.115 4.555 -19.041 1.00 0.00 H new ATOM 421 N CYS A 29 1.970 2.656 -15.446 1.00 0.00 N ATOM 422 CA CYS A 29 2.717 1.937 -14.420 1.00 0.00 C ATOM 423 C CYS A 29 4.215 1.991 -14.700 1.00 0.00 C ATOM 424 O CYS A 29 4.718 1.285 -15.573 1.00 0.00 O ATOM 425 CB CYS A 29 2.251 0.482 -14.346 1.00 0.00 C ATOM 426 SG CYS A 29 3.468 -0.647 -13.630 1.00 0.00 S ATOM 0 H CYS A 29 1.734 2.097 -16.266 1.00 0.00 H new ATOM 0 HA CYS A 29 2.528 2.420 -13.462 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.336 0.434 -13.756 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.001 0.140 -15.350 1.00 0.00 H new ATOM 0 HG CYS A 29 2.854 -1.634 -13.048 1.00 0.00 H new ATOM 432 N GLU A 30 4.922 2.834 -13.953 1.00 0.00 N ATOM 433 CA GLU A 30 6.362 2.981 -14.123 1.00 0.00 C ATOM 434 C GLU A 30 7.107 1.806 -13.496 1.00 0.00 C ATOM 435 O GLU A 30 7.672 0.969 -14.199 1.00 0.00 O ATOM 436 CB GLU A 30 6.841 4.294 -13.500 1.00 0.00 C ATOM 437 CG GLU A 30 6.174 5.526 -14.090 1.00 0.00 C ATOM 438 CD GLU A 30 6.805 5.960 -15.398 1.00 0.00 C ATOM 439 OE1 GLU A 30 6.931 5.113 -16.307 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.171 7.149 -15.514 1.00 0.00 O ATOM 0 H GLU A 30 4.521 3.425 -13.225 1.00 0.00 H new ATOM 0 HA GLU A 30 6.576 2.996 -15.192 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.652 4.268 -12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.920 4.377 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.116 5.319 -14.252 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.233 6.345 -13.373 1.00 0.00 H new ATOM 447 N ARG A 31 7.104 1.753 -12.168 1.00 0.00 N ATOM 448 CA ARG A 31 7.780 0.683 -11.444 1.00 0.00 C ATOM 449 C ARG A 31 6.894 -0.556 -11.352 1.00 0.00 C ATOM 450 O ARG A 31 5.745 -0.479 -10.915 1.00 0.00 O ATOM 451 CB ARG A 31 8.166 1.152 -10.040 1.00 0.00 C ATOM 452 CG ARG A 31 9.404 2.034 -10.012 1.00 0.00 C ATOM 453 CD ARG A 31 10.678 1.207 -10.095 1.00 0.00 C ATOM 454 NE ARG A 31 11.091 0.975 -11.476 1.00 0.00 N ATOM 455 CZ ARG A 31 11.955 0.033 -11.836 1.00 0.00 C ATOM 456 NH1 ARG A 31 12.495 -0.761 -10.922 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.281 -0.117 -13.114 1.00 0.00 N ATOM 0 H ARG A 31 6.641 2.439 -11.571 1.00 0.00 H new ATOM 0 HA ARG A 31 8.684 0.422 -11.994 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.330 1.700 -9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.337 0.280 -9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.370 2.737 -10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.411 2.624 -9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.477 1.718 -9.559 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.522 0.250 -9.598 1.00 0.00 H new ATOM 0 HE ARG A 31 10.694 1.569 -12.204 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.247 -0.649 -9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.158 -1.484 -11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.868 0.492 -13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.945 -0.841 -13.389 1.00 0.00 H new ATOM 471 N SER A 32 7.435 -1.697 -11.767 1.00 0.00 N ATOM 472 CA SER A 32 6.692 -2.951 -11.736 1.00 0.00 C ATOM 473 C SER A 32 7.508 -4.049 -11.060 1.00 0.00 C ATOM 474 O SER A 32 8.329 -4.709 -11.697 1.00 0.00 O ATOM 475 CB SER A 32 6.315 -3.381 -13.155 1.00 0.00 C ATOM 476 OG SER A 32 7.459 -3.444 -13.989 1.00 0.00 O ATOM 0 H SER A 32 8.385 -1.779 -12.129 1.00 0.00 H new ATOM 0 HA SER A 32 5.781 -2.791 -11.159 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.828 -4.356 -13.126 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.595 -2.677 -13.573 1.00 0.00 H new ATOM 0 HG SER A 32 8.169 -3.942 -13.533 1.00 0.00 H new ATOM 482 N ASP A 33 7.276 -4.237 -9.765 1.00 0.00 N ATOM 483 CA ASP A 33 7.988 -5.255 -9.001 1.00 0.00 C ATOM 484 C ASP A 33 7.100 -6.471 -8.757 1.00 0.00 C ATOM 485 O ASP A 33 6.066 -6.375 -8.097 1.00 0.00 O ATOM 486 CB ASP A 33 8.466 -4.680 -7.667 1.00 0.00 C ATOM 487 CG ASP A 33 9.687 -5.401 -7.130 1.00 0.00 C ATOM 488 OD1 ASP A 33 9.865 -6.593 -7.459 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.464 -4.773 -6.382 1.00 0.00 O ATOM 0 H ASP A 33 6.601 -3.698 -9.223 1.00 0.00 H new ATOM 0 HA ASP A 33 8.854 -5.571 -9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.698 -3.622 -7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.659 -4.744 -6.937 1.00 0.00 H new ATOM 494 N VAL A 34 7.511 -7.615 -9.295 1.00 0.00 N ATOM 495 CA VAL A 34 6.754 -8.851 -9.136 1.00 0.00 C ATOM 496 C VAL A 34 7.527 -9.866 -8.302 1.00 0.00 C ATOM 497 O VAL A 34 8.413 -10.554 -8.809 1.00 0.00 O ATOM 498 CB VAL A 34 6.410 -9.478 -10.500 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.323 -8.676 -11.198 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.654 -9.576 -11.369 1.00 0.00 C ATOM 0 H VAL A 34 8.365 -7.711 -9.845 1.00 0.00 H new ATOM 0 HA VAL A 34 5.829 -8.591 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 34 6.032 -10.486 -10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.094 -9.134 -12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.426 -8.663 -10.579 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.669 -7.655 -11.356 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.393 -10.021 -12.329 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.064 -8.579 -11.531 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.398 -10.198 -10.871 1.00 0.00 H new ATOM 510 N GLN A 35 7.185 -9.954 -7.020 1.00 0.00 N ATOM 511 CA GLN A 35 7.848 -10.886 -6.116 1.00 0.00 C ATOM 512 C GLN A 35 6.835 -11.813 -5.451 1.00 0.00 C ATOM 513 O GLN A 35 7.001 -13.033 -5.455 1.00 0.00 O ATOM 514 CB GLN A 35 8.634 -10.122 -5.049 1.00 0.00 C ATOM 515 CG GLN A 35 9.801 -9.324 -5.609 1.00 0.00 C ATOM 516 CD GLN A 35 10.475 -8.462 -4.559 1.00 0.00 C ATOM 517 OE1 GLN A 35 9.993 -8.345 -3.432 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.596 -7.852 -4.925 1.00 0.00 N ATOM 0 H GLN A 35 6.454 -9.392 -6.585 1.00 0.00 H new ATOM 0 HA GLN A 35 8.539 -11.492 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.958 -9.444 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.010 -10.830 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.533 -10.009 -6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.446 -8.690 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.960 -7.977 -5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.094 -7.258 -4.261 1.00 0.00 H new ATOM 527 N ILE A 36 5.788 -11.226 -4.881 1.00 0.00 N ATOM 528 CA ILE A 36 4.749 -12.000 -4.214 1.00 0.00 C ATOM 529 C ILE A 36 3.486 -12.072 -5.064 1.00 0.00 C ATOM 530 O ILE A 36 3.434 -11.525 -6.166 1.00 0.00 O ATOM 531 CB ILE A 36 4.396 -11.401 -2.840 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.585 -10.115 -3.013 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.661 -11.131 -2.038 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.397 -8.955 -3.544 1.00 0.00 C ATOM 0 H ILE A 36 5.637 -10.217 -4.868 1.00 0.00 H new ATOM 0 HA ILE A 36 5.146 -13.005 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 36 3.788 -12.121 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.754 -10.308 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.153 -9.836 -2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.394 -10.708 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.204 -12.065 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.292 -10.427 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.758 -8.078 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.212 -8.736 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.807 -9.215 -4.520 1.00 0.00 H new ATOM 546 N HIS A 37 2.467 -12.750 -4.544 1.00 0.00 N ATOM 547 CA HIS A 37 1.201 -12.892 -5.255 1.00 0.00 C ATOM 548 C HIS A 37 0.729 -11.547 -5.797 1.00 0.00 C ATOM 549 O HIS A 37 0.478 -11.401 -6.994 1.00 0.00 O ATOM 550 CB HIS A 37 0.137 -13.485 -4.331 1.00 0.00 C ATOM 551 CG HIS A 37 -0.075 -12.694 -3.077 1.00 0.00 C ATOM 552 ND1 HIS A 37 -1.251 -12.031 -2.796 1.00 0.00 N ATOM 553 CD2 HIS A 37 0.746 -12.463 -2.026 1.00 0.00 C ATOM 554 CE1 HIS A 37 -1.143 -11.425 -1.627 1.00 0.00 C ATOM 555 NE2 HIS A 37 0.059 -11.672 -1.139 1.00 0.00 N ATOM 0 H HIS A 37 2.493 -13.209 -3.634 1.00 0.00 H new ATOM 0 HA HIS A 37 1.358 -13.567 -6.096 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.807 -13.552 -4.873 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.424 -14.502 -4.065 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.754 -12.832 -1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.908 -10.829 -1.151 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.419 -11.330 -0.248 1.00 0.00 H new ATOM 563 N VAL A 38 0.608 -10.565 -4.909 1.00 0.00 N ATOM 564 CA VAL A 38 0.166 -9.231 -5.299 1.00 0.00 C ATOM 565 C VAL A 38 1.351 -8.287 -5.467 1.00 0.00 C ATOM 566 O VAL A 38 1.911 -7.775 -4.498 1.00 0.00 O ATOM 567 CB VAL A 38 -0.806 -8.638 -4.262 1.00 0.00 C ATOM 568 CG1 VAL A 38 -0.087 -8.367 -2.949 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.447 -7.367 -4.800 1.00 0.00 C ATOM 0 H VAL A 38 0.810 -10.668 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.350 -9.334 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.596 -9.365 -4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.790 -7.948 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.321 -9.299 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.724 -7.659 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.131 -6.961 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.672 -6.633 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.998 -7.595 -5.712 1.00 0.00 H new ATOM 579 N PRO A 39 1.743 -8.049 -6.728 1.00 0.00 N ATOM 580 CA PRO A 39 2.865 -7.164 -7.054 1.00 0.00 C ATOM 581 C PRO A 39 2.549 -5.699 -6.772 1.00 0.00 C ATOM 582 O PRO A 39 1.462 -5.368 -6.297 1.00 0.00 O ATOM 583 CB PRO A 39 3.069 -7.388 -8.555 1.00 0.00 C ATOM 584 CG PRO A 39 1.740 -7.840 -9.054 1.00 0.00 C ATOM 585 CD PRO A 39 1.121 -8.626 -7.932 1.00 0.00 C ATOM 0 HA PRO A 39 3.747 -7.385 -6.452 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.388 -6.472 -9.052 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.838 -8.137 -8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.115 -6.989 -9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.847 -8.454 -9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.037 -8.517 -7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.333 -9.691 -8.023 1.00 0.00 H new ATOM 593 N THR A 40 3.505 -4.824 -7.069 1.00 0.00 N ATOM 594 CA THR A 40 3.328 -3.395 -6.846 1.00 0.00 C ATOM 595 C THR A 40 3.466 -2.615 -8.149 1.00 0.00 C ATOM 596 O THR A 40 4.526 -2.613 -8.774 1.00 0.00 O ATOM 597 CB THR A 40 4.349 -2.854 -5.827 1.00 0.00 C ATOM 598 OG1 THR A 40 5.680 -3.163 -6.257 1.00 0.00 O ATOM 599 CG2 THR A 40 4.105 -3.450 -4.449 1.00 0.00 C ATOM 0 H THR A 40 4.410 -5.080 -7.465 1.00 0.00 H new ATOM 0 HA THR A 40 2.322 -3.259 -6.448 1.00 0.00 H new ATOM 0 HB THR A 40 4.229 -1.772 -5.764 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.731 -3.100 -7.234 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.838 -3.054 -3.746 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.102 -3.190 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.201 -4.535 -4.500 1.00 0.00 H new ATOM 607 N PHE A 41 2.387 -1.952 -8.553 1.00 0.00 N ATOM 608 CA PHE A 41 2.387 -1.168 -9.782 1.00 0.00 C ATOM 609 C PHE A 41 2.194 0.315 -9.481 1.00 0.00 C ATOM 610 O PHE A 41 1.133 0.734 -9.017 1.00 0.00 O ATOM 611 CB PHE A 41 1.285 -1.657 -10.724 1.00 0.00 C ATOM 612 CG PHE A 41 1.628 -2.933 -11.438 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.974 -4.069 -10.725 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.605 -2.996 -12.822 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.291 -5.245 -11.379 1.00 0.00 C ATOM 616 CE2 PHE A 41 1.920 -4.169 -13.481 1.00 0.00 C ATOM 617 CZ PHE A 41 2.264 -5.295 -12.759 1.00 0.00 C ATOM 0 H PHE A 41 1.502 -1.942 -8.047 1.00 0.00 H new ATOM 0 HA PHE A 41 3.354 -1.299 -10.267 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.369 -1.805 -10.152 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.078 -0.882 -11.462 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.996 -4.036 -9.646 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.338 -2.118 -13.392 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.559 -6.124 -10.811 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.897 -4.205 -14.560 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.511 -6.212 -13.272 1.00 0.00 H new ATOM 627 N THR A 42 3.228 1.107 -9.748 1.00 0.00 N ATOM 628 CA THR A 42 3.175 2.543 -9.505 1.00 0.00 C ATOM 629 C THR A 42 2.488 3.270 -10.655 1.00 0.00 C ATOM 630 O THR A 42 3.102 3.541 -11.687 1.00 0.00 O ATOM 631 CB THR A 42 4.584 3.132 -9.309 1.00 0.00 C ATOM 632 OG1 THR A 42 5.304 2.368 -8.335 1.00 0.00 O ATOM 633 CG2 THR A 42 4.506 4.585 -8.863 1.00 0.00 C ATOM 0 H THR A 42 4.113 0.777 -10.133 1.00 0.00 H new ATOM 0 HA THR A 42 2.599 2.688 -8.591 1.00 0.00 H new ATOM 0 HB THR A 42 5.107 3.088 -10.264 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.678 1.806 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.513 4.980 -8.731 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.983 5.170 -9.620 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.965 4.647 -7.919 1.00 0.00 H new ATOM 641 N PHE A 43 1.210 3.584 -10.471 1.00 0.00 N ATOM 642 CA PHE A 43 0.439 4.281 -11.494 1.00 0.00 C ATOM 643 C PHE A 43 0.490 5.790 -11.280 1.00 0.00 C ATOM 644 O PHE A 43 0.325 6.275 -10.161 1.00 0.00 O ATOM 645 CB PHE A 43 -1.014 3.801 -11.482 1.00 0.00 C ATOM 646 CG PHE A 43 -1.246 2.567 -12.306 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.225 2.629 -13.690 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.483 1.346 -11.697 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.438 1.495 -14.451 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.697 0.208 -12.453 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.673 0.283 -13.831 1.00 0.00 C ATOM 0 H PHE A 43 0.686 3.367 -9.623 1.00 0.00 H new ATOM 0 HA PHE A 43 0.881 4.055 -12.464 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.314 3.602 -10.453 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.655 4.601 -11.852 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.040 3.574 -14.180 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.501 1.282 -10.619 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.421 1.556 -15.529 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.883 -0.738 -11.966 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.838 -0.605 -14.424 1.00 0.00 H new ATOM 661 N ARG A 44 0.720 6.528 -12.362 1.00 0.00 N ATOM 662 CA ARG A 44 0.795 7.982 -12.294 1.00 0.00 C ATOM 663 C ARG A 44 -0.438 8.620 -12.925 1.00 0.00 C ATOM 664 O ARG A 44 -0.728 8.405 -14.102 1.00 0.00 O ATOM 665 CB ARG A 44 2.058 8.482 -12.997 1.00 0.00 C ATOM 666 CG ARG A 44 2.364 9.947 -12.730 1.00 0.00 C ATOM 667 CD ARG A 44 3.823 10.272 -13.013 1.00 0.00 C ATOM 668 NE ARG A 44 4.270 11.456 -12.286 1.00 0.00 N ATOM 669 CZ ARG A 44 5.425 12.070 -12.520 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.244 11.613 -13.457 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.763 13.143 -11.816 1.00 0.00 N ATOM 0 H ARG A 44 0.858 6.142 -13.296 1.00 0.00 H new ATOM 0 HA ARG A 44 0.834 8.270 -11.243 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.906 7.878 -12.675 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.949 8.332 -14.071 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.724 10.573 -13.352 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.132 10.185 -11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.444 9.420 -12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.958 10.431 -14.083 1.00 0.00 H new ATOM 0 HE ARG A 44 3.663 11.833 -11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.988 10.788 -14.000 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.130 12.086 -13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.136 13.498 -11.094 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.650 13.613 -11.997 1.00 0.00 H new ATOM 685 N VAL A 45 -1.162 9.407 -12.134 1.00 0.00 N ATOM 686 CA VAL A 45 -2.364 10.077 -12.616 1.00 0.00 C ATOM 687 C VAL A 45 -2.091 11.547 -12.915 1.00 0.00 C ATOM 688 O VAL A 45 -1.680 12.306 -12.037 1.00 0.00 O ATOM 689 CB VAL A 45 -3.510 9.978 -11.592 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.368 11.053 -10.525 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.858 10.082 -12.289 1.00 0.00 C ATOM 0 H VAL A 45 -0.937 9.596 -11.157 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.662 9.571 -13.534 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.454 9.005 -11.103 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.187 10.967 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.418 10.927 -10.005 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.397 12.037 -10.993 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.656 10.010 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.927 11.039 -12.806 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.958 9.271 -13.011 1.00 0.00 H new ATOM 701 N THR A 46 -2.322 11.944 -14.163 1.00 0.00 N ATOM 702 CA THR A 46 -2.101 13.322 -14.580 1.00 0.00 C ATOM 703 C THR A 46 -3.378 13.940 -15.137 1.00 0.00 C ATOM 704 O THR A 46 -3.830 13.582 -16.224 1.00 0.00 O ATOM 705 CB THR A 46 -0.992 13.416 -15.645 1.00 0.00 C ATOM 706 OG1 THR A 46 0.263 13.017 -15.083 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.882 14.832 -16.189 1.00 0.00 C ATOM 0 H THR A 46 -2.662 11.329 -14.902 1.00 0.00 H new ATOM 0 HA THR A 46 -1.791 13.874 -13.693 1.00 0.00 H new ATOM 0 HB THR A 46 -1.251 12.747 -16.466 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.962 13.078 -15.767 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.092 14.873 -16.939 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.830 15.122 -16.643 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.645 15.517 -15.375 1.00 0.00 H new ATOM 715 N VAL A 47 -3.956 14.872 -14.385 1.00 0.00 N ATOM 716 CA VAL A 47 -5.181 15.541 -14.805 1.00 0.00 C ATOM 717 C VAL A 47 -4.975 17.048 -14.911 1.00 0.00 C ATOM 718 O VAL A 47 -4.821 17.737 -13.904 1.00 0.00 O ATOM 719 CB VAL A 47 -6.338 15.260 -13.827 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.556 16.098 -14.185 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.682 13.779 -13.821 1.00 0.00 C ATOM 0 H VAL A 47 -3.595 15.180 -13.482 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.439 15.142 -15.786 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.018 15.539 -12.823 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.363 15.886 -13.483 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.298 17.156 -14.132 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.881 15.854 -15.196 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.501 13.599 -13.125 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.983 13.471 -14.823 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.809 13.204 -13.511 1.00 0.00 H new ATOM 731 N GLY A 48 -4.974 17.554 -16.141 1.00 0.00 N ATOM 732 CA GLY A 48 -4.787 18.977 -16.358 1.00 0.00 C ATOM 733 C GLY A 48 -3.433 19.462 -15.878 1.00 0.00 C ATOM 734 O GLY A 48 -2.463 19.464 -16.636 1.00 0.00 O ATOM 0 H GLY A 48 -5.099 17.004 -16.991 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.893 19.197 -17.420 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.572 19.527 -15.839 1.00 0.00 H new ATOM 738 N ASP A 49 -3.368 19.877 -14.618 1.00 0.00 N ATOM 739 CA ASP A 49 -2.123 20.368 -14.038 1.00 0.00 C ATOM 740 C ASP A 49 -1.699 19.508 -12.852 1.00 0.00 C ATOM 741 O ASP A 49 -0.537 19.523 -12.446 1.00 0.00 O ATOM 742 CB ASP A 49 -2.281 21.824 -13.597 1.00 0.00 C ATOM 743 CG ASP A 49 -0.947 22.509 -13.372 1.00 0.00 C ATOM 744 OD1 ASP A 49 -0.203 22.076 -12.467 1.00 0.00 O ATOM 745 OD2 ASP A 49 -0.647 23.477 -14.101 1.00 0.00 O ATOM 0 H ASP A 49 -4.163 19.883 -13.978 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.347 20.309 -14.802 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.844 22.371 -14.354 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.865 21.861 -12.677 1.00 0.00 H new ATOM 750 N ILE A 50 -2.649 18.759 -12.301 1.00 0.00 N ATOM 751 CA ILE A 50 -2.373 17.893 -11.162 1.00 0.00 C ATOM 752 C ILE A 50 -1.765 16.569 -11.613 1.00 0.00 C ATOM 753 O ILE A 50 -2.239 15.947 -12.564 1.00 0.00 O ATOM 754 CB ILE A 50 -3.650 17.608 -10.349 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.255 18.916 -9.834 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.343 16.669 -9.192 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.685 18.775 -9.361 1.00 0.00 C ATOM 0 H ILE A 50 -3.616 18.735 -12.625 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.660 18.421 -10.529 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.378 17.124 -11.001 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.644 19.291 -9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.215 19.663 -10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.255 16.477 -8.627 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.952 15.728 -9.581 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.601 17.128 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.049 19.741 -9.010 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.309 18.430 -10.186 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.729 18.053 -8.546 1.00 0.00 H new ATOM 769 N THR A 51 -0.714 16.141 -10.922 1.00 0.00 N ATOM 770 CA THR A 51 -0.041 14.890 -11.250 1.00 0.00 C ATOM 771 C THR A 51 0.384 14.147 -9.988 1.00 0.00 C ATOM 772 O THR A 51 1.268 14.598 -9.259 1.00 0.00 O ATOM 773 CB THR A 51 1.199 15.134 -12.131 1.00 0.00 C ATOM 774 OG1 THR A 51 0.800 15.352 -13.489 1.00 0.00 O ATOM 775 CG2 THR A 51 2.153 13.951 -12.061 1.00 0.00 C ATOM 0 H THR A 51 -0.310 16.642 -10.131 1.00 0.00 H new ATOM 0 HA THR A 51 -0.756 14.281 -11.803 1.00 0.00 H new ATOM 0 HB THR A 51 1.714 16.019 -11.758 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.648 14.489 -13.928 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.021 14.146 -12.691 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.478 13.806 -11.031 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.645 13.053 -12.411 1.00 0.00 H new ATOM 783 N CYS A 52 -0.249 13.006 -9.738 1.00 0.00 N ATOM 784 CA CYS A 52 0.064 12.200 -8.564 1.00 0.00 C ATOM 785 C CYS A 52 0.404 10.768 -8.962 1.00 0.00 C ATOM 786 O CYS A 52 0.286 10.391 -10.129 1.00 0.00 O ATOM 787 CB CYS A 52 -1.113 12.205 -7.588 1.00 0.00 C ATOM 788 SG CYS A 52 -1.534 13.842 -6.946 1.00 0.00 S ATOM 0 H CYS A 52 -0.982 12.619 -10.333 1.00 0.00 H new ATOM 0 HA CYS A 52 0.934 12.638 -8.075 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.987 11.787 -8.088 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.879 11.547 -6.751 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.419 13.843 -5.651 1.00 0.00 H new ATOM 794 N THR A 53 0.829 9.972 -7.986 1.00 0.00 N ATOM 795 CA THR A 53 1.189 8.582 -8.235 1.00 0.00 C ATOM 796 C THR A 53 0.744 7.684 -7.086 1.00 0.00 C ATOM 797 O THR A 53 0.698 8.111 -5.933 1.00 0.00 O ATOM 798 CB THR A 53 2.707 8.422 -8.437 1.00 0.00 C ATOM 799 OG1 THR A 53 3.397 8.704 -7.214 1.00 0.00 O ATOM 800 CG2 THR A 53 3.208 9.351 -9.533 1.00 0.00 C ATOM 0 H THR A 53 0.932 10.267 -7.015 1.00 0.00 H new ATOM 0 HA THR A 53 0.675 8.282 -9.148 1.00 0.00 H new ATOM 0 HB THR A 53 2.905 7.393 -8.736 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.362 8.598 -7.351 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.283 9.220 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.703 9.115 -10.469 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.998 10.385 -9.258 1.00 0.00 H new ATOM 808 N GLY A 54 0.416 6.436 -7.408 1.00 0.00 N ATOM 809 CA GLY A 54 -0.021 5.498 -6.391 1.00 0.00 C ATOM 810 C GLY A 54 0.846 4.255 -6.339 1.00 0.00 C ATOM 811 O GLY A 54 0.712 3.362 -7.175 1.00 0.00 O ATOM 0 H GLY A 54 0.445 6.058 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.006 5.989 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.054 5.209 -6.587 1.00 0.00 H new ATOM 815 N GLU A 55 1.737 4.198 -5.354 1.00 0.00 N ATOM 816 CA GLU A 55 2.630 3.056 -5.199 1.00 0.00 C ATOM 817 C GLU A 55 2.278 2.256 -3.947 1.00 0.00 C ATOM 818 O GLU A 55 1.972 2.825 -2.900 1.00 0.00 O ATOM 819 CB GLU A 55 4.085 3.524 -5.126 1.00 0.00 C ATOM 820 CG GLU A 55 5.063 2.418 -4.765 1.00 0.00 C ATOM 821 CD GLU A 55 4.698 1.088 -5.396 1.00 0.00 C ATOM 822 OE1 GLU A 55 4.220 1.091 -6.550 1.00 0.00 O ATOM 823 OE2 GLU A 55 4.890 0.046 -4.736 1.00 0.00 O ATOM 0 H GLU A 55 1.859 4.928 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 55 2.507 2.410 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.370 3.949 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.164 4.323 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.065 2.705 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.095 2.305 -3.681 1.00 0.00 H new ATOM 830 N GLY A 56 2.324 0.933 -4.065 1.00 0.00 N ATOM 831 CA GLY A 56 2.007 0.076 -2.938 1.00 0.00 C ATOM 832 C GLY A 56 1.481 -1.279 -3.368 1.00 0.00 C ATOM 833 O GLY A 56 1.941 -2.314 -2.886 1.00 0.00 O ATOM 0 H GLY A 56 2.575 0.439 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.900 -0.062 -2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.264 0.568 -2.310 1.00 0.00 H new ATOM 837 N THR A 57 0.513 -1.274 -4.279 1.00 0.00 N ATOM 838 CA THR A 57 -0.078 -2.511 -4.773 1.00 0.00 C ATOM 839 C THR A 57 -0.219 -2.486 -6.291 1.00 0.00 C ATOM 840 O THR A 57 0.194 -1.529 -6.946 1.00 0.00 O ATOM 841 CB THR A 57 -1.462 -2.763 -4.145 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.530 -2.154 -2.850 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.738 -4.254 -4.024 1.00 0.00 C ATOM 0 H THR A 57 0.122 -0.426 -4.690 1.00 0.00 H new ATOM 0 HA THR A 57 0.596 -3.319 -4.486 1.00 0.00 H new ATOM 0 HB THR A 57 -2.217 -2.321 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.692 -2.843 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.721 -4.407 -3.578 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.714 -4.710 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.978 -4.715 -3.393 1.00 0.00 H new ATOM 851 N SER A 58 -0.805 -3.543 -6.844 1.00 0.00 N ATOM 852 CA SER A 58 -0.998 -3.643 -8.286 1.00 0.00 C ATOM 853 C SER A 58 -2.288 -2.949 -8.711 1.00 0.00 C ATOM 854 O SER A 58 -2.996 -2.369 -7.887 1.00 0.00 O ATOM 855 CB SER A 58 -1.028 -5.111 -8.717 1.00 0.00 C ATOM 856 OG SER A 58 -2.042 -5.823 -8.030 1.00 0.00 O ATOM 0 H SER A 58 -1.154 -4.342 -6.315 1.00 0.00 H new ATOM 0 HA SER A 58 -0.161 -3.145 -8.775 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.199 -5.174 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.059 -5.571 -8.521 1.00 0.00 H new ATOM 0 HG SER A 58 -2.042 -6.758 -8.324 1.00 0.00 H new ATOM 862 N LYS A 59 -2.589 -3.013 -10.004 1.00 0.00 N ATOM 863 CA LYS A 59 -3.794 -2.393 -10.541 1.00 0.00 C ATOM 864 C LYS A 59 -4.951 -2.508 -9.554 1.00 0.00 C ATOM 865 O LYS A 59 -5.853 -1.670 -9.538 1.00 0.00 O ATOM 866 CB LYS A 59 -4.178 -3.045 -11.871 1.00 0.00 C ATOM 867 CG LYS A 59 -3.090 -2.959 -12.927 1.00 0.00 C ATOM 868 CD LYS A 59 -3.152 -4.134 -13.889 1.00 0.00 C ATOM 869 CE LYS A 59 -2.121 -4.000 -15.000 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.285 -5.055 -16.038 1.00 0.00 N ATOM 0 H LYS A 59 -2.014 -3.489 -10.700 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.585 -1.336 -10.708 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.420 -4.093 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.081 -2.568 -12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.194 -2.027 -13.483 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.113 -2.935 -12.443 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.982 -5.062 -13.343 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.150 -4.198 -14.323 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.212 -3.017 -15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.119 -4.061 -14.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.564 -4.930 -16.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.173 -5.992 -15.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.232 -4.981 -16.462 1.00 0.00 H new ATOM 884 N LYS A 60 -4.919 -3.550 -8.730 1.00 0.00 N ATOM 885 CA LYS A 60 -5.963 -3.773 -7.737 1.00 0.00 C ATOM 886 C LYS A 60 -6.178 -2.527 -6.884 1.00 0.00 C ATOM 887 O LYS A 60 -7.195 -1.843 -7.011 1.00 0.00 O ATOM 888 CB LYS A 60 -5.599 -4.960 -6.843 1.00 0.00 C ATOM 889 CG LYS A 60 -6.806 -5.721 -6.321 1.00 0.00 C ATOM 890 CD LYS A 60 -7.211 -6.840 -7.265 1.00 0.00 C ATOM 891 CE LYS A 60 -7.987 -6.308 -8.460 1.00 0.00 C ATOM 892 NZ LYS A 60 -8.707 -7.394 -9.182 1.00 0.00 N ATOM 0 H LYS A 60 -4.181 -4.254 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.891 -3.994 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.963 -5.645 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.013 -4.601 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.578 -6.137 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.642 -5.034 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.321 -7.364 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.821 -7.567 -6.729 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.703 -5.559 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.302 -5.809 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.224 -6.991 -9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.021 -8.096 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.379 -7.854 -8.536 1.00 0.00 H new ATOM 906 N LEU A 61 -5.216 -2.237 -6.016 1.00 0.00 N ATOM 907 CA LEU A 61 -5.299 -1.072 -5.142 1.00 0.00 C ATOM 908 C LEU A 61 -4.581 0.124 -5.760 1.00 0.00 C ATOM 909 O LEU A 61 -5.150 1.209 -5.876 1.00 0.00 O ATOM 910 CB LEU A 61 -4.695 -1.392 -3.773 1.00 0.00 C ATOM 911 CG LEU A 61 -4.041 -0.222 -3.038 1.00 0.00 C ATOM 912 CD1 LEU A 61 -5.027 0.925 -2.875 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.514 -0.671 -1.683 1.00 0.00 C ATOM 0 H LEU A 61 -4.369 -2.793 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.351 -0.817 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.481 -1.800 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.949 -2.177 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.200 0.131 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.543 1.749 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.356 1.264 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.889 0.585 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.052 0.175 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.338 -1.051 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.774 -1.459 -1.823 1.00 0.00 H new ATOM 925 N ALA A 62 -3.330 -0.083 -6.156 1.00 0.00 N ATOM 926 CA ALA A 62 -2.536 0.977 -6.766 1.00 0.00 C ATOM 927 C ALA A 62 -3.418 1.935 -7.560 1.00 0.00 C ATOM 928 O ALA A 62 -3.348 3.151 -7.382 1.00 0.00 O ATOM 929 CB ALA A 62 -1.460 0.381 -7.661 1.00 0.00 C ATOM 0 H ALA A 62 -2.844 -0.975 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.056 1.544 -5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.875 1.183 -8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.805 -0.257 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.928 -0.211 -8.448 1.00 0.00 H new ATOM 935 N LYS A 63 -4.246 1.379 -8.437 1.00 0.00 N ATOM 936 CA LYS A 63 -5.143 2.184 -9.259 1.00 0.00 C ATOM 937 C LYS A 63 -6.054 3.043 -8.389 1.00 0.00 C ATOM 938 O LYS A 63 -6.143 4.257 -8.576 1.00 0.00 O ATOM 939 CB LYS A 63 -5.985 1.282 -10.164 1.00 0.00 C ATOM 940 CG LYS A 63 -6.368 1.931 -11.483 1.00 0.00 C ATOM 941 CD LYS A 63 -5.326 1.666 -12.558 1.00 0.00 C ATOM 942 CE LYS A 63 -5.684 2.361 -13.863 1.00 0.00 C ATOM 943 NZ LYS A 63 -5.148 1.630 -15.045 1.00 0.00 N ATOM 0 H LYS A 63 -4.315 0.374 -8.597 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.535 2.843 -9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.430 0.366 -10.367 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.893 0.994 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.335 1.549 -11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.481 3.006 -11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.351 2.013 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.241 0.593 -12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.768 2.441 -13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.289 3.377 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.398 2.144 -15.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.113 1.560 -14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.558 0.675 -15.078 1.00 0.00 H new ATOM 957 N HIS A 64 -6.730 2.406 -7.438 1.00 0.00 N ATOM 958 CA HIS A 64 -7.633 3.113 -6.538 1.00 0.00 C ATOM 959 C HIS A 64 -6.936 4.310 -5.898 1.00 0.00 C ATOM 960 O HIS A 64 -7.514 5.393 -5.791 1.00 0.00 O ATOM 961 CB HIS A 64 -8.148 2.168 -5.451 1.00 0.00 C ATOM 962 CG HIS A 64 -9.526 2.502 -4.971 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.670 2.028 -5.577 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.941 3.266 -3.933 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.729 2.488 -4.936 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.314 3.242 -3.933 1.00 0.00 N ATOM 0 H HIS A 64 -6.669 1.402 -7.271 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.478 3.476 -7.123 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.143 1.148 -5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.461 2.192 -4.605 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.310 3.796 -3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.759 2.283 -5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.916 3.727 -3.267 1.00 0.00 H new ATOM 974 N ARG A 65 -5.693 4.108 -5.474 1.00 0.00 N ATOM 975 CA ARG A 65 -4.919 5.171 -4.844 1.00 0.00 C ATOM 976 C ARG A 65 -4.653 6.306 -5.828 1.00 0.00 C ATOM 977 O ARG A 65 -4.935 7.469 -5.539 1.00 0.00 O ATOM 978 CB ARG A 65 -3.593 4.619 -4.315 1.00 0.00 C ATOM 979 CG ARG A 65 -3.689 4.049 -2.909 1.00 0.00 C ATOM 980 CD ARG A 65 -2.386 3.389 -2.486 1.00 0.00 C ATOM 981 NE ARG A 65 -1.488 4.327 -1.819 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.592 4.660 -0.538 1.00 0.00 C ATOM 983 NH1 ARG A 65 -2.550 4.133 0.212 1.00 0.00 N ATOM 984 NH2 ARG A 65 -0.736 5.522 -0.003 1.00 0.00 N ATOM 0 H ARG A 65 -5.200 3.219 -5.555 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.500 5.565 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.238 3.841 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.848 5.414 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.939 4.846 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.498 3.320 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.602 2.556 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.889 2.973 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.739 4.750 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.210 3.470 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.627 4.391 1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.003 5.929 -0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.817 5.777 0.981 1.00 0.00 H new ATOM 998 N ALA A 66 -4.108 5.961 -6.989 1.00 0.00 N ATOM 999 CA ALA A 66 -3.805 6.951 -8.016 1.00 0.00 C ATOM 1000 C ALA A 66 -4.995 7.874 -8.256 1.00 0.00 C ATOM 1001 O ALA A 66 -4.870 9.095 -8.181 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.399 6.262 -9.310 1.00 0.00 C ATOM 0 H ALA A 66 -3.867 5.003 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.972 7.559 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.176 7.013 -10.068 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.514 5.650 -9.134 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.216 5.629 -9.657 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.149 7.281 -8.546 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.361 8.050 -8.796 1.00 0.00 C ATOM 1010 C ALA A 67 -7.808 8.793 -7.542 1.00 0.00 C ATOM 1011 O ALA A 67 -8.271 9.931 -7.616 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.472 7.137 -9.295 1.00 0.00 C ATOM 0 H ALA A 67 -6.269 6.270 -8.613 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.140 8.790 -9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.372 7.725 -9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.159 6.656 -10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.682 6.376 -8.544 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.668 8.142 -6.391 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.059 8.743 -5.121 1.00 0.00 C ATOM 1020 C GLU A 68 -7.283 10.032 -4.867 1.00 0.00 C ATOM 1021 O GLU A 68 -7.853 11.038 -4.446 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.825 7.759 -3.973 1.00 0.00 C ATOM 1023 CG GLU A 68 -9.029 6.886 -3.664 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.897 6.157 -2.341 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.965 5.338 -2.205 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.727 6.406 -1.442 1.00 0.00 O ATOM 0 H GLU A 68 -7.287 7.199 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.121 8.983 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.978 7.120 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.552 8.317 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.926 7.504 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.160 6.158 -4.464 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.981 9.993 -5.127 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.127 11.157 -4.928 1.00 0.00 C ATOM 1035 C ALA A 69 -5.665 12.368 -5.683 1.00 0.00 C ATOM 1036 O ALA A 69 -6.103 13.345 -5.077 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.703 10.849 -5.367 1.00 0.00 C ATOM 0 H ALA A 69 -5.494 9.167 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.124 11.396 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.077 11.728 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.313 10.018 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.698 10.581 -6.424 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.627 12.296 -7.010 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.112 13.386 -7.848 1.00 0.00 C ATOM 1045 C ALA A 70 -7.366 14.019 -7.254 1.00 0.00 C ATOM 1046 O ALA A 70 -7.337 15.159 -6.790 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.389 12.885 -9.257 1.00 0.00 C ATOM 0 H ALA A 70 -5.266 11.495 -7.527 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.336 14.151 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.751 13.709 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.471 12.486 -9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.144 12.100 -9.222 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.465 13.273 -7.272 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.729 13.762 -6.735 1.00 0.00 C ATOM 1055 C ILE A 71 -9.501 14.648 -5.515 1.00 0.00 C ATOM 1056 O ILE A 71 -9.727 15.856 -5.562 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.662 12.600 -6.345 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.912 11.691 -7.550 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.976 13.137 -5.798 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.816 10.518 -7.245 1.00 0.00 C ATOM 0 H ILE A 71 -8.506 12.328 -7.653 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.202 14.348 -7.523 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.179 12.012 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.354 12.280 -8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.956 11.317 -7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.625 12.304 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.781 13.747 -4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.465 13.745 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.949 9.917 -8.145 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.366 9.906 -6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.785 10.884 -6.907 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.051 14.038 -4.423 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.792 14.771 -3.190 1.00 0.00 C ATOM 1074 C ASN A 72 -8.246 16.164 -3.490 1.00 0.00 C ATOM 1075 O ASN A 72 -8.589 17.135 -2.814 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.802 14.002 -2.313 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.495 13.050 -1.356 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.070 13.471 -0.353 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.442 11.760 -1.664 1.00 0.00 N ATOM 0 H ASN A 72 -8.858 13.038 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.736 14.877 -2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.118 13.440 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.199 14.710 -1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.890 11.072 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.954 11.456 -2.507 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.397 16.254 -4.508 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.805 17.528 -4.898 1.00 0.00 C ATOM 1088 C ILE A 73 -7.767 18.339 -5.759 1.00 0.00 C ATOM 1089 O ILE A 73 -7.924 19.546 -5.566 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.489 17.324 -5.671 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.428 16.703 -4.760 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -4.999 18.647 -6.240 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.414 15.860 -5.501 1.00 0.00 C ATOM 0 H ILE A 73 -7.104 15.460 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.595 18.074 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.673 16.641 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.907 17.499 -4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.922 16.086 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.068 18.487 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.750 19.052 -6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.827 19.352 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.693 15.452 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.924 15.043 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.894 16.477 -6.234 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.411 17.669 -6.709 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.360 18.328 -7.600 1.00 0.00 C ATOM 1107 C LEU A 74 -10.369 19.152 -6.807 1.00 0.00 C ATOM 1108 O LEU A 74 -10.871 20.169 -7.287 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.091 17.290 -8.455 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.390 16.871 -9.747 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -7.918 16.586 -9.487 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.072 15.653 -10.353 1.00 0.00 C ATOM 0 H LEU A 74 -8.293 16.671 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.803 19.000 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.254 16.399 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.074 17.686 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.460 17.693 -10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.435 16.289 -10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.437 17.484 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.827 15.781 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.560 15.369 -11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.034 14.825 -9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.112 15.892 -10.576 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.661 18.709 -5.589 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.608 19.406 -4.727 1.00 0.00 C ATOM 1126 C LYS A 75 -10.978 20.662 -4.131 1.00 0.00 C ATOM 1127 O LYS A 75 -11.417 21.778 -4.407 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.085 18.481 -3.605 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.530 17.113 -4.093 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.441 16.072 -2.990 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.653 16.127 -2.072 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.410 15.412 -0.789 1.00 0.00 N ATOM 0 H LYS A 75 -10.255 17.869 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.464 19.702 -5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.279 18.355 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.913 18.957 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.556 17.172 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.909 16.806 -4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.362 15.078 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.534 16.234 -2.407 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.905 17.167 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.512 15.685 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.259 15.473 -0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.194 14.413 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.607 15.850 -0.294 1.00 0.00 H new ATOM 1146 N ALA A 76 -9.946 20.471 -3.316 1.00 0.00 N ATOM 1147 CA ALA A 76 -9.254 21.588 -2.685 1.00 0.00 C ATOM 1148 C ALA A 76 -8.665 22.530 -3.730 1.00 0.00 C ATOM 1149 O ALA A 76 -9.018 23.707 -3.787 1.00 0.00 O ATOM 1150 CB ALA A 76 -8.162 21.076 -1.758 1.00 0.00 C ATOM 0 H ALA A 76 -9.571 19.553 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.981 22.149 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.653 21.921 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.606 20.450 -0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.443 20.490 -2.331 1.00 0.00 H new ATOM 1156 N ASN A 77 -7.766 22.003 -4.555 1.00 0.00 N ATOM 1157 CA ASN A 77 -7.128 22.798 -5.598 1.00 0.00 C ATOM 1158 C ASN A 77 -8.169 23.406 -6.532 1.00 0.00 C ATOM 1159 O ASN A 77 -8.112 24.593 -6.853 1.00 0.00 O ATOM 1160 CB ASN A 77 -6.149 21.935 -6.398 1.00 0.00 C ATOM 1161 CG ASN A 77 -4.856 21.681 -5.649 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -4.854 21.526 -4.427 1.00 0.00 O ATOM 1163 ND2 ASN A 77 -3.748 21.636 -6.379 1.00 0.00 N ATOM 0 H ASN A 77 -7.463 21.030 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.579 23.609 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.621 20.982 -6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.926 22.426 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.848 21.467 -5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.797 21.770 -7.389 1.00 0.00 H new ATOM 1170 N ALA A 78 -9.120 22.585 -6.965 1.00 0.00 N ATOM 1171 CA ALA A 78 -10.175 23.042 -7.861 1.00 0.00 C ATOM 1172 C ALA A 78 -9.647 23.234 -9.278 1.00 0.00 C ATOM 1173 O ALA A 78 -9.997 24.200 -9.956 1.00 0.00 O ATOM 1174 CB ALA A 78 -10.782 24.337 -7.342 1.00 0.00 C ATOM 0 H ALA A 78 -9.181 21.599 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.950 22.276 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.569 24.668 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.204 24.170 -6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.009 25.103 -7.282 1.00 0.00 H new ATOM 1180 N SER A 79 -8.804 22.307 -9.721 1.00 0.00 N ATOM 1181 CA SER A 79 -8.224 22.377 -11.057 1.00 0.00 C ATOM 1182 C SER A 79 -9.219 22.970 -12.051 1.00 0.00 C ATOM 1183 O SER A 79 -10.423 22.734 -11.957 1.00 0.00 O ATOM 1184 CB SER A 79 -7.791 20.985 -11.522 1.00 0.00 C ATOM 1185 OG SER A 79 -8.913 20.145 -11.730 1.00 0.00 O ATOM 0 H SER A 79 -8.507 21.499 -9.174 1.00 0.00 H new ATOM 0 HA SER A 79 -7.350 23.026 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.219 21.068 -12.446 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.131 20.538 -10.778 1.00 0.00 H new ATOM 0 HG SER A 79 -8.610 19.262 -12.028 1.00 0.00 H new ATOM 1191 N GLY A 80 -8.705 23.743 -13.003 1.00 0.00 N ATOM 1192 CA GLY A 80 -9.561 24.358 -14.001 1.00 0.00 C ATOM 1193 C GLY A 80 -8.888 25.519 -14.706 1.00 0.00 C ATOM 1194 O GLY A 80 -7.875 26.048 -14.247 1.00 0.00 O ATOM 0 H GLY A 80 -7.712 23.954 -13.101 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.851 23.609 -14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.477 24.708 -13.524 1.00 0.00 H new ATOM 1198 N PRO A 81 -9.454 25.930 -15.850 1.00 0.00 N ATOM 1199 CA PRO A 81 -8.917 27.039 -16.645 1.00 0.00 C ATOM 1200 C PRO A 81 -9.099 28.387 -15.955 1.00 0.00 C ATOM 1201 O PRO A 81 -9.742 28.479 -14.910 1.00 0.00 O ATOM 1202 CB PRO A 81 -9.741 26.983 -17.934 1.00 0.00 C ATOM 1203 CG PRO A 81 -11.018 26.325 -17.539 1.00 0.00 C ATOM 1204 CD PRO A 81 -10.662 25.345 -16.455 1.00 0.00 C ATOM 0 HA PRO A 81 -7.843 26.944 -16.805 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.917 27.981 -18.335 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.226 26.415 -18.709 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.740 27.058 -17.180 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.475 25.818 -18.389 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.466 25.242 -15.727 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.468 24.351 -16.859 1.00 0.00 H new ATOM 1212 N SER A 82 -8.528 29.431 -16.548 1.00 0.00 N ATOM 1213 CA SER A 82 -8.624 30.774 -15.989 1.00 0.00 C ATOM 1214 C SER A 82 -10.080 31.155 -15.736 1.00 0.00 C ATOM 1215 O SER A 82 -10.889 31.207 -16.662 1.00 0.00 O ATOM 1216 CB SER A 82 -7.976 31.790 -16.932 1.00 0.00 C ATOM 1217 OG SER A 82 -6.564 31.672 -16.917 1.00 0.00 O ATOM 0 H SER A 82 -7.994 29.372 -17.415 1.00 0.00 H new ATOM 0 HA SER A 82 -8.093 30.783 -15.037 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.346 31.637 -17.946 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.263 32.799 -16.637 1.00 0.00 H new ATOM 0 HG SER A 82 -6.174 32.331 -17.529 1.00 0.00 H new ATOM 1223 N SER A 83 -10.405 31.419 -14.475 1.00 0.00 N ATOM 1224 CA SER A 83 -11.764 31.791 -14.098 1.00 0.00 C ATOM 1225 C SER A 83 -11.829 32.192 -12.627 1.00 0.00 C ATOM 1226 O SER A 83 -11.303 31.497 -11.759 1.00 0.00 O ATOM 1227 CB SER A 83 -12.726 30.632 -14.366 1.00 0.00 C ATOM 1228 OG SER A 83 -14.074 31.057 -14.276 1.00 0.00 O ATOM 0 H SER A 83 -9.746 31.382 -13.697 1.00 0.00 H new ATOM 0 HA SER A 83 -12.061 32.647 -14.703 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.537 30.220 -15.357 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.545 29.832 -13.648 1.00 0.00 H new ATOM 0 HG SER A 83 -14.669 30.298 -14.453 1.00 0.00 H new ATOM 1234 N GLY A 84 -12.480 33.319 -12.356 1.00 0.00 N ATOM 1235 CA GLY A 84 -12.603 33.794 -10.990 1.00 0.00 C ATOM 1236 C GLY A 84 -11.324 34.427 -10.479 1.00 0.00 C ATOM 1237 O GLY A 84 -10.784 35.341 -11.101 1.00 0.00 O ATOM 0 H GLY A 84 -12.924 33.911 -13.058 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.413 34.521 -10.933 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.877 32.961 -10.342 1.00 0.00 H new TER 1241 GLY A 84