USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 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 NoAdj-H: A 39 ALY H2 : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD Set 1.1: A 51 TYR OH : rot 180:sc= 0.176 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.726 K(o=-0.55,f=0.47) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.47 (180deg=-0.431) USER MOD Single : A 2 SER OG : rot -45:sc= 0.664 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0.181 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 0.331 (180deg=0.0197) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 1.24 (180deg=-0.0875) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -0.0226 (180deg=-0.185) USER MOD Single : A 29 GLN : amide:sc= -4.17! C(o=-4.2!,f=-12!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.822 K(o=-0.66,f=-7.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -144:sc= -2.1! (180deg=-4.48!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 42 THR OG1 : rot -82:sc= -4.04! USER MOD Single : A 43 HIS : no HD1:sc= -1.22 K(o=-1.2,f=0.045) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= 2.35 (180deg=1.35) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc=-0.00688 (180deg=-0.146) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= -0.795 (180deg=-4.29!) USER MOD Single : A 50 SER OG : rot 72:sc= 1.25 USER MOD Single : A 52 CYS SG : rot 59:sc= 1.11 USER MOD Single : A 53 GLN : amide:sc= 0.0139 X(o=0.014,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.39) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.11) USER MOD Single : A 61 SER OG : rot -97:sc= 1.12 USER MOD Single : A 69 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.1) USER MOD Single : A 74 ASN : amide:sc= -0.854 K(o=-0.85,f=-0.00069) USER MOD Single : A 75 HIS : no HD1:sc= -0.691 K(o=-0.69,f=-9.7!) USER MOD Single : A 76 THR OG1 : rot -123:sc= -4.54! USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.2 (180deg=0.0751) USER MOD Single : A 82 MET CE :methyl -168:sc= -4.22! (180deg=-4.84!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.0239 USER MOD Single : A 94 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.016) USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00252 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.506 17.266 -0.452 1.00 0.00 N ATOM 2 CA MET A 1 3.181 17.717 -0.947 1.00 0.00 C ATOM 3 C MET A 1 2.351 16.545 -1.471 1.00 0.00 C ATOM 4 O MET A 1 1.144 16.473 -1.248 1.00 0.00 O ATOM 5 CB MET A 1 3.327 18.810 -2.030 1.00 0.00 C ATOM 6 CG MET A 1 4.346 18.503 -3.125 1.00 0.00 C ATOM 7 SD MET A 1 6.054 18.693 -2.564 1.00 0.00 S ATOM 8 CE MET A 1 6.952 18.270 -4.058 1.00 0.00 C ATOM 0 H1 MET A 1 4.877 17.960 0.227 1.00 0.00 H new ATOM 0 H2 MET A 1 4.406 16.343 0.016 1.00 0.00 H new ATOM 0 H3 MET A 1 5.164 17.179 -1.252 1.00 0.00 H new ATOM 0 HA MET A 1 2.651 18.151 -0.099 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.354 18.972 -2.495 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.608 19.745 -1.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.196 17.483 -3.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.171 19.164 -3.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.023 18.341 -3.871 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.702 17.252 -4.357 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.677 18.960 -4.856 1.00 0.00 H new ATOM 18 N SER A 2 3.000 15.626 -2.157 1.00 0.00 N ATOM 19 CA SER A 2 2.344 14.445 -2.700 1.00 0.00 C ATOM 20 C SER A 2 3.394 13.363 -2.824 1.00 0.00 C ATOM 21 O SER A 2 3.298 12.445 -3.638 1.00 0.00 O ATOM 22 CB SER A 2 1.731 14.771 -4.073 1.00 0.00 C ATOM 23 OG SER A 2 1.057 13.652 -4.625 1.00 0.00 O ATOM 0 H SER A 2 3.999 15.674 -2.356 1.00 0.00 H new ATOM 0 HA SER A 2 1.536 14.112 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.034 15.603 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.517 15.095 -4.755 1.00 0.00 H new ATOM 0 HG SER A 2 1.614 12.852 -4.523 1.00 0.00 H new ATOM 29 N ASP A 3 4.379 13.467 -1.970 1.00 0.00 N ATOM 30 CA ASP A 3 5.553 12.635 -2.017 1.00 0.00 C ATOM 31 C ASP A 3 6.157 12.507 -0.628 1.00 0.00 C ATOM 32 O ASP A 3 6.516 11.415 -0.187 1.00 0.00 O ATOM 33 CB ASP A 3 6.573 13.264 -2.976 1.00 0.00 C ATOM 34 CG ASP A 3 6.959 14.698 -2.588 1.00 0.00 C ATOM 35 OD1 ASP A 3 6.057 15.485 -2.148 1.00 0.00 O ATOM 36 OD2 ASP A 3 8.147 15.045 -2.730 1.00 0.00 O ATOM 0 H ASP A 3 4.388 14.145 -1.208 1.00 0.00 H new ATOM 0 HA ASP A 3 5.282 11.640 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.471 12.646 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.161 13.265 -3.985 1.00 0.00 H new ATOM 41 N GLN A 4 6.267 13.627 0.060 1.00 0.00 N ATOM 42 CA GLN A 4 6.788 13.684 1.400 1.00 0.00 C ATOM 43 C GLN A 4 6.385 15.015 2.002 1.00 0.00 C ATOM 44 O GLN A 4 6.194 16.000 1.281 1.00 0.00 O ATOM 45 CB GLN A 4 8.315 13.534 1.412 1.00 0.00 C ATOM 46 CG GLN A 4 9.058 14.630 0.662 1.00 0.00 C ATOM 47 CD GLN A 4 10.558 14.474 0.753 1.00 0.00 C ATOM 48 OE1 GLN A 4 11.181 13.821 -0.084 1.00 0.00 O ATOM 49 NE2 GLN A 4 11.152 15.068 1.766 1.00 0.00 N ATOM 0 H GLN A 4 5.990 14.536 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 4 6.380 12.860 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.659 13.520 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.577 12.570 0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.757 14.618 -0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.771 15.601 1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.601 15.601 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 4 12.163 14.996 1.878 1.00 0.00 H new ATOM 58 N GLU A 5 6.225 15.054 3.298 1.00 0.00 N ATOM 59 CA GLU A 5 5.811 16.264 3.973 1.00 0.00 C ATOM 60 C GLU A 5 6.888 17.336 3.907 1.00 0.00 C ATOM 61 O GLU A 5 8.085 17.046 3.884 1.00 0.00 O ATOM 62 CB GLU A 5 5.459 15.957 5.427 1.00 0.00 C ATOM 63 CG GLU A 5 6.593 15.299 6.193 1.00 0.00 C ATOM 64 CD GLU A 5 6.144 14.689 7.500 1.00 0.00 C ATOM 65 OE1 GLU A 5 5.061 14.070 7.529 1.00 0.00 O ATOM 66 OE2 GLU A 5 6.887 14.787 8.500 1.00 0.00 O ATOM 0 H GLU A 5 6.376 14.256 3.916 1.00 0.00 H new ATOM 0 HA GLU A 5 4.928 16.649 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.180 16.883 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.586 15.305 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.043 14.524 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.368 16.039 6.391 1.00 0.00 H new ATOM 73 N ALA A 6 6.460 18.580 3.857 1.00 0.00 N ATOM 74 CA ALA A 6 7.377 19.704 3.856 1.00 0.00 C ATOM 75 C ALA A 6 7.337 20.364 5.212 1.00 0.00 C ATOM 76 O ALA A 6 7.986 21.379 5.464 1.00 0.00 O ATOM 77 CB ALA A 6 7.002 20.700 2.774 1.00 0.00 C ATOM 0 H ALA A 6 5.475 18.841 3.816 1.00 0.00 H new ATOM 0 HA ALA A 6 8.386 19.349 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.702 21.535 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.042 20.212 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.992 21.069 2.953 1.00 0.00 H new ATOM 83 N LYS A 7 6.567 19.766 6.088 1.00 0.00 N ATOM 84 CA LYS A 7 6.370 20.258 7.422 1.00 0.00 C ATOM 85 C LYS A 7 6.466 19.107 8.412 1.00 0.00 C ATOM 86 O LYS A 7 6.052 17.992 8.108 1.00 0.00 O ATOM 87 CB LYS A 7 5.014 20.996 7.556 1.00 0.00 C ATOM 88 CG LYS A 7 3.768 20.176 7.185 1.00 0.00 C ATOM 89 CD LYS A 7 3.602 19.987 5.678 1.00 0.00 C ATOM 90 CE LYS A 7 3.499 21.323 4.943 1.00 0.00 C ATOM 91 NZ LYS A 7 2.353 22.147 5.414 1.00 0.00 N ATOM 0 H LYS A 7 6.052 18.909 5.886 1.00 0.00 H new ATOM 0 HA LYS A 7 7.154 20.982 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.908 21.338 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.042 21.885 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.828 19.198 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.882 20.672 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.449 19.422 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.707 19.396 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.425 21.882 5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.394 21.138 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.277 23.003 4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.474 21.596 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.506 22.419 6.406 1.00 0.00 H new ATOM 105 N PRO A 8 7.019 19.370 9.599 1.00 0.00 N ATOM 106 CA PRO A 8 7.253 18.339 10.631 1.00 0.00 C ATOM 107 C PRO A 8 5.971 17.694 11.180 1.00 0.00 C ATOM 108 O PRO A 8 6.016 16.628 11.799 1.00 0.00 O ATOM 109 CB PRO A 8 7.976 19.103 11.743 1.00 0.00 C ATOM 110 CG PRO A 8 7.657 20.539 11.510 1.00 0.00 C ATOM 111 CD PRO A 8 7.484 20.698 10.032 1.00 0.00 C ATOM 0 HA PRO A 8 7.814 17.502 10.216 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.636 18.780 12.727 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.051 18.928 11.704 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.749 20.826 12.041 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.458 21.180 11.879 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.758 21.475 9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.419 20.975 9.545 1.00 0.00 H new ATOM 119 N SER A 9 4.842 18.317 10.954 1.00 0.00 N ATOM 120 CA SER A 9 3.581 17.799 11.447 1.00 0.00 C ATOM 121 C SER A 9 2.518 17.970 10.374 1.00 0.00 C ATOM 122 O SER A 9 2.832 18.258 9.224 1.00 0.00 O ATOM 123 CB SER A 9 3.181 18.535 12.737 1.00 0.00 C ATOM 124 OG SER A 9 2.072 17.913 13.380 1.00 0.00 O ATOM 0 H SER A 9 4.765 19.188 10.429 1.00 0.00 H new ATOM 0 HA SER A 9 3.681 16.739 11.679 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.030 18.559 13.420 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.931 19.570 12.502 1.00 0.00 H new ATOM 0 HG SER A 9 1.848 18.407 14.196 1.00 0.00 H new ATOM 130 N THR A 10 1.276 17.769 10.723 1.00 0.00 N ATOM 131 CA THR A 10 0.205 17.963 9.790 1.00 0.00 C ATOM 132 C THR A 10 -0.364 19.361 9.970 1.00 0.00 C ATOM 133 O THR A 10 -0.591 19.812 11.095 1.00 0.00 O ATOM 134 CB THR A 10 -0.917 16.927 9.991 1.00 0.00 C ATOM 135 OG1 THR A 10 -0.350 15.612 10.083 1.00 0.00 O ATOM 136 CG2 THR A 10 -1.909 16.966 8.836 1.00 0.00 C ATOM 0 H THR A 10 0.982 17.469 11.653 1.00 0.00 H new ATOM 0 HA THR A 10 0.603 17.838 8.783 1.00 0.00 H new ATOM 0 HB THR A 10 -1.445 17.171 10.913 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.066 14.955 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.691 16.225 9.003 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.356 17.958 8.774 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.391 16.743 7.903 1.00 0.00 H new ATOM 144 N GLU A 11 -0.582 20.055 8.873 1.00 0.00 N ATOM 145 CA GLU A 11 -1.140 21.398 8.918 1.00 0.00 C ATOM 146 C GLU A 11 -2.597 21.346 9.363 1.00 0.00 C ATOM 147 O GLU A 11 -3.143 20.263 9.594 1.00 0.00 O ATOM 148 CB GLU A 11 -0.999 22.082 7.561 1.00 0.00 C ATOM 149 CG GLU A 11 -1.517 21.265 6.394 1.00 0.00 C ATOM 150 CD GLU A 11 -1.170 21.896 5.075 1.00 0.00 C ATOM 151 OE1 GLU A 11 -1.932 22.770 4.612 1.00 0.00 O ATOM 152 OE2 GLU A 11 -0.114 21.538 4.499 1.00 0.00 O ATOM 0 H GLU A 11 -0.382 19.713 7.933 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.584 21.988 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.532 23.032 7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.053 22.311 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.097 20.260 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.599 21.162 6.474 1.00 0.00 H new ATOM 159 N ASP A 12 -3.240 22.483 9.498 1.00 0.00 N ATOM 160 CA ASP A 12 -4.602 22.479 9.986 1.00 0.00 C ATOM 161 C ASP A 12 -5.548 23.256 9.072 1.00 0.00 C ATOM 162 O ASP A 12 -5.147 23.841 8.062 1.00 0.00 O ATOM 163 CB ASP A 12 -4.663 23.038 11.413 1.00 0.00 C ATOM 164 CG ASP A 12 -5.746 22.385 12.260 1.00 0.00 C ATOM 165 OD1 ASP A 12 -6.932 22.479 11.905 1.00 0.00 O ATOM 166 OD2 ASP A 12 -5.409 21.769 13.282 1.00 0.00 O ATOM 0 H ASP A 12 -2.855 23.403 9.283 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.937 21.442 9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.696 22.895 11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.842 24.112 11.369 1.00 0.00 H new ATOM 171 N LEU A 13 -6.800 23.241 9.453 1.00 0.00 N ATOM 172 CA LEU A 13 -7.874 23.898 8.732 1.00 0.00 C ATOM 173 C LEU A 13 -8.921 24.425 9.707 1.00 0.00 C ATOM 174 O LEU A 13 -9.748 25.262 9.359 1.00 0.00 O ATOM 175 CB LEU A 13 -8.533 22.932 7.727 1.00 0.00 C ATOM 176 CG LEU A 13 -8.957 21.558 8.283 1.00 0.00 C ATOM 177 CD1 LEU A 13 -10.144 21.014 7.514 1.00 0.00 C ATOM 178 CD2 LEU A 13 -7.801 20.570 8.204 1.00 0.00 C ATOM 0 H LEU A 13 -7.115 22.760 10.296 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.448 24.735 8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.414 23.420 7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.839 22.769 6.903 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.242 21.690 9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.428 20.044 7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.983 21.705 7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.876 20.902 6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.119 19.606 8.601 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.494 20.451 7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.962 20.945 8.790 1.00 0.00 H new ATOM 190 N GLY A 14 -8.870 23.942 10.935 1.00 0.00 N ATOM 191 CA GLY A 14 -9.833 24.328 11.935 1.00 0.00 C ATOM 192 C GLY A 14 -10.638 23.142 12.404 1.00 0.00 C ATOM 193 O GLY A 14 -10.914 22.988 13.587 1.00 0.00 O ATOM 0 H GLY A 14 -8.166 23.279 11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.319 24.780 12.783 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.501 25.086 11.526 1.00 0.00 H new ATOM 197 N ASP A 15 -10.997 22.278 11.474 1.00 0.00 N ATOM 198 CA ASP A 15 -11.789 21.092 11.788 1.00 0.00 C ATOM 199 C ASP A 15 -10.940 19.830 11.800 1.00 0.00 C ATOM 200 O ASP A 15 -11.462 18.717 11.712 1.00 0.00 O ATOM 201 CB ASP A 15 -12.949 20.933 10.800 1.00 0.00 C ATOM 202 CG ASP A 15 -14.165 21.742 11.190 1.00 0.00 C ATOM 203 OD1 ASP A 15 -14.202 22.958 10.902 1.00 0.00 O ATOM 204 OD2 ASP A 15 -15.095 21.169 11.787 1.00 0.00 O ATOM 0 H ASP A 15 -10.754 22.371 10.488 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.193 21.235 12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.619 21.238 9.807 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.224 19.880 10.736 1.00 0.00 H new ATOM 209 N LYS A 16 -9.631 19.985 11.920 1.00 0.00 N ATOM 210 CA LYS A 16 -8.751 18.830 11.968 1.00 0.00 C ATOM 211 C LYS A 16 -8.708 18.269 13.379 1.00 0.00 C ATOM 212 O LYS A 16 -8.113 18.861 14.284 1.00 0.00 O ATOM 213 CB LYS A 16 -7.332 19.181 11.511 1.00 0.00 C ATOM 214 CG LYS A 16 -6.403 17.966 11.440 1.00 0.00 C ATOM 215 CD LYS A 16 -4.936 18.362 11.304 1.00 0.00 C ATOM 216 CE LYS A 16 -4.421 19.041 12.568 1.00 0.00 C ATOM 217 NZ LYS A 16 -2.964 19.340 12.498 1.00 0.00 N ATOM 0 H LYS A 16 -9.160 20.887 11.985 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.150 18.081 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.380 19.652 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.908 19.915 12.196 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.531 17.361 12.338 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.688 17.343 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.337 17.476 11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.817 19.034 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.972 19.967 12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.617 18.400 13.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.733 20.101 13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.422 18.487 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.717 19.642 11.534 1.00 0.00 H new ATOM 231 N LYS A 17 -9.347 17.143 13.577 1.00 0.00 N ATOM 232 CA LYS A 17 -9.372 16.495 14.871 1.00 0.00 C ATOM 233 C LYS A 17 -9.549 15.004 14.688 1.00 0.00 C ATOM 234 O LYS A 17 -9.717 14.526 13.565 1.00 0.00 O ATOM 235 CB LYS A 17 -10.498 17.067 15.744 1.00 0.00 C ATOM 236 CG LYS A 17 -11.897 16.891 15.161 1.00 0.00 C ATOM 237 CD LYS A 17 -12.963 17.481 16.080 1.00 0.00 C ATOM 238 CE LYS A 17 -12.984 16.786 17.435 1.00 0.00 C ATOM 239 NZ LYS A 17 -14.018 17.349 18.332 1.00 0.00 N ATOM 0 H LYS A 17 -9.864 16.648 12.850 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.426 16.683 15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.462 16.588 16.722 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.314 18.130 15.903 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.949 17.373 14.185 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.096 15.831 15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.775 18.546 16.220 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.941 17.389 15.609 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.168 15.721 17.293 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.005 16.880 17.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.998 16.847 19.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.829 18.360 18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.955 17.236 17.895 1.00 0.00 H new ATOM 253 N GLU A 18 -9.518 14.261 15.779 1.00 0.00 N ATOM 254 CA GLU A 18 -9.677 12.826 15.706 1.00 0.00 C ATOM 255 C GLU A 18 -11.124 12.436 15.538 1.00 0.00 C ATOM 256 O GLU A 18 -12.010 13.286 15.386 1.00 0.00 O ATOM 257 CB GLU A 18 -9.076 12.134 16.919 1.00 0.00 C ATOM 258 CG GLU A 18 -7.580 11.997 16.838 1.00 0.00 C ATOM 259 CD GLU A 18 -7.002 11.228 17.996 1.00 0.00 C ATOM 260 OE1 GLU A 18 -6.936 9.987 17.911 1.00 0.00 O ATOM 261 OE2 GLU A 18 -6.608 11.853 18.995 1.00 0.00 O ATOM 0 H GLU A 18 -9.385 14.628 16.721 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.133 12.492 14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.336 12.696 17.816 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.521 11.144 17.023 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.315 11.496 15.907 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.130 12.989 16.806 1.00 0.00 H new ATOM 268 N GLY A 19 -11.375 11.150 15.562 1.00 0.00 N ATOM 269 CA GLY A 19 -12.705 10.658 15.357 1.00 0.00 C ATOM 270 C GLY A 19 -12.995 10.438 13.889 1.00 0.00 C ATOM 271 O GLY A 19 -13.702 9.504 13.517 1.00 0.00 O ATOM 0 H GLY A 19 -10.672 10.429 15.722 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.835 9.721 15.899 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.424 11.367 15.769 1.00 0.00 H new ATOM 275 N GLU A 20 -12.448 11.305 13.050 1.00 0.00 N ATOM 276 CA GLU A 20 -12.611 11.194 11.615 1.00 0.00 C ATOM 277 C GLU A 20 -11.787 10.016 11.098 1.00 0.00 C ATOM 278 O GLU A 20 -10.817 9.594 11.732 1.00 0.00 O ATOM 279 CB GLU A 20 -12.185 12.496 10.930 1.00 0.00 C ATOM 280 CG GLU A 20 -12.597 12.589 9.472 1.00 0.00 C ATOM 281 CD GLU A 20 -12.169 13.883 8.827 1.00 0.00 C ATOM 282 OE1 GLU A 20 -12.756 14.938 9.154 1.00 0.00 O ATOM 283 OE2 GLU A 20 -11.252 13.854 7.981 1.00 0.00 O ATOM 0 H GLU A 20 -11.882 12.100 13.346 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.662 11.018 11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.615 13.338 11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.101 12.593 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.164 11.753 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.680 12.492 9.398 1.00 0.00 H new ATOM 290 N TYR A 21 -12.163 9.486 9.955 1.00 0.00 N ATOM 291 CA TYR A 21 -11.505 8.319 9.408 1.00 0.00 C ATOM 292 C TYR A 21 -11.429 8.403 7.892 1.00 0.00 C ATOM 293 O TYR A 21 -11.955 9.335 7.278 1.00 0.00 O ATOM 294 CB TYR A 21 -12.284 7.057 9.811 1.00 0.00 C ATOM 295 CG TYR A 21 -13.727 7.081 9.346 1.00 0.00 C ATOM 296 CD1 TYR A 21 -14.723 7.657 10.130 1.00 0.00 C ATOM 297 CD2 TYR A 21 -14.091 6.553 8.114 1.00 0.00 C ATOM 298 CE1 TYR A 21 -16.032 7.699 9.700 1.00 0.00 C ATOM 299 CE2 TYR A 21 -15.395 6.599 7.676 1.00 0.00 C ATOM 300 CZ TYR A 21 -16.363 7.172 8.472 1.00 0.00 C ATOM 301 OH TYR A 21 -17.669 7.226 8.032 1.00 0.00 O ATOM 0 H TYR A 21 -12.926 9.847 9.383 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.491 8.274 9.805 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.788 6.181 9.394 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -12.259 6.951 10.896 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -14.466 8.078 11.091 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -13.337 6.098 7.488 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.794 8.143 10.323 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -15.658 6.188 6.713 1.00 0.00 H new ATOM 0 HH TYR A 21 -17.733 6.812 7.146 1.00 0.00 H new ATOM 311 N ILE A 22 -10.770 7.428 7.295 1.00 0.00 N ATOM 312 CA ILE A 22 -10.669 7.312 5.855 1.00 0.00 C ATOM 313 C ILE A 22 -10.476 5.845 5.480 1.00 0.00 C ATOM 314 O ILE A 22 -9.896 5.077 6.227 1.00 0.00 O ATOM 315 CB ILE A 22 -9.519 8.209 5.268 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.999 7.666 3.922 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.381 8.363 6.261 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.999 8.574 3.237 1.00 0.00 C ATOM 0 H ILE A 22 -10.285 6.688 7.802 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.596 7.677 5.413 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.946 9.195 5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.536 6.693 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.846 7.506 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.601 8.988 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.754 8.830 7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.969 7.382 6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.681 8.122 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.462 9.540 3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.133 8.714 3.883 1.00 0.00 H new ATOM 330 N LYS A 23 -11.010 5.445 4.359 1.00 0.00 N ATOM 331 CA LYS A 23 -10.883 4.078 3.908 1.00 0.00 C ATOM 332 C LYS A 23 -10.083 4.045 2.620 1.00 0.00 C ATOM 333 O LYS A 23 -10.050 5.021 1.897 1.00 0.00 O ATOM 334 CB LYS A 23 -12.272 3.457 3.703 1.00 0.00 C ATOM 335 CG LYS A 23 -13.138 4.198 2.692 1.00 0.00 C ATOM 336 CD LYS A 23 -14.556 3.643 2.629 1.00 0.00 C ATOM 337 CE LYS A 23 -14.568 2.151 2.341 1.00 0.00 C ATOM 338 NZ LYS A 23 -15.925 1.669 1.986 1.00 0.00 N ATOM 0 H LYS A 23 -11.543 6.049 3.733 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.359 3.493 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.152 2.424 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.792 3.430 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.175 5.255 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.680 4.130 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.063 3.834 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.117 4.167 1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.880 1.933 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.207 1.609 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.048 0.695 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.638 2.284 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.041 1.689 0.953 1.00 0.00 H new ATOM 352 N LEU A 24 -9.400 2.957 2.358 1.00 0.00 N ATOM 353 CA LEU A 24 -8.643 2.817 1.115 1.00 0.00 C ATOM 354 C LEU A 24 -8.790 1.419 0.557 1.00 0.00 C ATOM 355 O LEU A 24 -8.992 0.460 1.308 1.00 0.00 O ATOM 356 CB LEU A 24 -7.169 3.138 1.342 1.00 0.00 C ATOM 357 CG LEU A 24 -6.845 4.606 1.615 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.409 4.746 2.056 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.101 5.448 0.372 1.00 0.00 C ATOM 0 H LEU A 24 -9.346 2.151 2.981 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.046 3.526 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.812 2.544 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.607 2.818 0.464 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.495 4.964 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.188 5.796 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.250 4.169 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.750 4.374 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.865 6.491 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.472 5.092 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.149 5.364 0.085 1.00 0.00 H new ATOM 371 N LYS A 25 -8.714 1.285 -0.758 1.00 0.00 N ATOM 372 CA LYS A 25 -8.832 -0.003 -1.383 1.00 0.00 C ATOM 373 C LYS A 25 -7.629 -0.300 -2.240 1.00 0.00 C ATOM 374 O LYS A 25 -7.221 0.499 -3.088 1.00 0.00 O ATOM 375 CB LYS A 25 -10.140 -0.088 -2.192 1.00 0.00 C ATOM 376 CG LYS A 25 -10.250 -1.257 -3.187 1.00 0.00 C ATOM 377 CD LYS A 25 -9.696 -0.895 -4.564 1.00 0.00 C ATOM 378 CE LYS A 25 -10.566 -1.443 -5.694 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.910 -0.796 -5.744 1.00 0.00 N ATOM 0 H LYS A 25 -8.571 2.060 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.869 -0.765 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.972 -0.155 -1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.263 0.844 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.710 -2.118 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.295 -1.553 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.627 0.189 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.684 -1.288 -4.662 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.058 -1.292 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.688 -2.518 -5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.334 -0.948 -6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.523 -1.213 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.811 0.225 -5.570 1.00 0.00 H new ATOM 393 N VAL A 26 -7.041 -1.433 -2.001 1.00 0.00 N ATOM 394 CA VAL A 26 -5.920 -1.883 -2.775 1.00 0.00 C ATOM 395 C VAL A 26 -6.413 -2.843 -3.841 1.00 0.00 C ATOM 396 O VAL A 26 -7.143 -3.789 -3.543 1.00 0.00 O ATOM 397 CB VAL A 26 -4.854 -2.574 -1.883 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.726 -3.141 -2.726 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.309 -1.595 -0.852 1.00 0.00 C ATOM 0 H VAL A 26 -7.325 -2.075 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.446 -1.019 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.333 -3.401 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.992 -3.620 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.127 -3.876 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.247 -2.335 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.563 -2.095 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.850 -0.748 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.124 -1.240 -0.221 1.00 0.00 H new ATOM 409 N ILE A 27 -6.043 -2.592 -5.077 1.00 0.00 N ATOM 410 CA ILE A 27 -6.471 -3.422 -6.176 1.00 0.00 C ATOM 411 C ILE A 27 -5.270 -3.907 -6.979 1.00 0.00 C ATOM 412 O ILE A 27 -4.266 -3.208 -7.104 1.00 0.00 O ATOM 413 CB ILE A 27 -7.480 -2.674 -7.101 1.00 0.00 C ATOM 414 CG1 ILE A 27 -7.988 -3.596 -8.219 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.852 -1.415 -7.684 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.071 -2.980 -9.077 1.00 0.00 C ATOM 0 H ILE A 27 -5.442 -1.813 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.985 -4.287 -5.756 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.335 -2.377 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.149 -3.875 -8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.370 -4.515 -7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.575 -0.911 -8.325 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.557 -0.747 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.973 -1.685 -8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.377 -3.692 -9.843 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.929 -2.726 -8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.689 -2.077 -9.553 1.00 0.00 H new ATOM 428 N GLY A 28 -5.360 -5.115 -7.490 1.00 0.00 N ATOM 429 CA GLY A 28 -4.288 -5.665 -8.279 1.00 0.00 C ATOM 430 C GLY A 28 -4.756 -6.037 -9.663 1.00 0.00 C ATOM 431 O GLY A 28 -5.958 -6.018 -9.945 1.00 0.00 O ATOM 0 H GLY A 28 -6.164 -5.732 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.478 -4.939 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.883 -6.546 -7.781 1.00 0.00 H new ATOM 435 N GLN A 29 -3.822 -6.408 -10.536 1.00 0.00 N ATOM 436 CA GLN A 29 -4.163 -6.781 -11.919 1.00 0.00 C ATOM 437 C GLN A 29 -4.991 -8.070 -11.975 1.00 0.00 C ATOM 438 O GLN A 29 -5.458 -8.480 -13.031 1.00 0.00 O ATOM 439 CB GLN A 29 -2.907 -6.927 -12.794 1.00 0.00 C ATOM 440 CG GLN A 29 -2.042 -8.145 -12.484 1.00 0.00 C ATOM 441 CD GLN A 29 -1.133 -7.940 -11.293 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.034 -7.427 -11.432 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.553 -8.390 -10.133 1.00 0.00 N ATOM 0 H GLN A 29 -2.827 -6.460 -10.318 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.769 -5.967 -12.317 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.214 -6.975 -13.839 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.298 -6.030 -12.682 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.687 -9.003 -12.297 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.437 -8.385 -13.358 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.478 -8.813 -10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.954 -8.317 -9.310 1.00 0.00 H new ATOM 452 N ASP A 30 -5.157 -8.716 -10.835 1.00 0.00 N ATOM 453 CA ASP A 30 -5.956 -9.933 -10.752 1.00 0.00 C ATOM 454 C ASP A 30 -7.395 -9.597 -10.407 1.00 0.00 C ATOM 455 O ASP A 30 -8.189 -10.475 -10.079 1.00 0.00 O ATOM 456 CB ASP A 30 -5.380 -10.874 -9.695 1.00 0.00 C ATOM 457 CG ASP A 30 -4.036 -11.435 -10.085 1.00 0.00 C ATOM 458 OD1 ASP A 30 -3.051 -10.671 -10.102 1.00 0.00 O ATOM 459 OD2 ASP A 30 -3.955 -12.646 -10.376 1.00 0.00 O ATOM 0 H ASP A 30 -4.749 -8.419 -9.949 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.930 -10.428 -11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.285 -10.338 -8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.077 -11.695 -9.527 1.00 0.00 H new ATOM 464 N SER A 31 -7.727 -8.300 -10.480 1.00 0.00 N ATOM 465 CA SER A 31 -9.067 -7.793 -10.148 1.00 0.00 C ATOM 466 C SER A 31 -9.339 -7.920 -8.647 1.00 0.00 C ATOM 467 O SER A 31 -10.475 -7.773 -8.184 1.00 0.00 O ATOM 468 CB SER A 31 -10.149 -8.524 -10.959 1.00 0.00 C ATOM 469 OG SER A 31 -9.880 -8.449 -12.350 1.00 0.00 O ATOM 0 H SER A 31 -7.074 -7.572 -10.771 1.00 0.00 H new ATOM 0 HA SER A 31 -9.102 -6.736 -10.414 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.197 -9.568 -10.650 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.124 -8.085 -10.749 1.00 0.00 H new ATOM 0 HG SER A 31 -10.581 -8.923 -12.845 1.00 0.00 H new ATOM 475 N SER A 32 -8.285 -8.164 -7.887 1.00 0.00 N ATOM 476 CA SER A 32 -8.382 -8.328 -6.456 1.00 0.00 C ATOM 477 C SER A 32 -8.550 -6.973 -5.787 1.00 0.00 C ATOM 478 O SER A 32 -7.914 -6.002 -6.175 1.00 0.00 O ATOM 479 CB SER A 32 -7.122 -9.017 -5.939 1.00 0.00 C ATOM 480 OG SER A 32 -6.836 -10.176 -6.703 1.00 0.00 O ATOM 0 H SER A 32 -7.337 -8.253 -8.252 1.00 0.00 H new ATOM 0 HA SER A 32 -9.251 -8.943 -6.220 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.279 -8.327 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.254 -9.289 -4.892 1.00 0.00 H new ATOM 0 HG SER A 32 -6.024 -10.603 -6.358 1.00 0.00 H new ATOM 486 N GLU A 33 -9.404 -6.909 -4.792 1.00 0.00 N ATOM 487 CA GLU A 33 -9.648 -5.666 -4.102 1.00 0.00 C ATOM 488 C GLU A 33 -9.855 -5.872 -2.613 1.00 0.00 C ATOM 489 O GLU A 33 -10.607 -6.750 -2.175 1.00 0.00 O ATOM 490 CB GLU A 33 -10.838 -4.924 -4.704 1.00 0.00 C ATOM 491 CG GLU A 33 -12.158 -5.662 -4.609 1.00 0.00 C ATOM 492 CD GLU A 33 -13.308 -4.827 -5.105 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.814 -3.983 -4.331 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.709 -5.001 -6.264 1.00 0.00 O ATOM 0 H GLU A 33 -9.941 -7.703 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.755 -5.055 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.939 -3.961 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.627 -4.718 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.101 -6.582 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.339 -5.949 -3.573 1.00 0.00 H new ATOM 501 N ILE A 34 -9.178 -5.067 -1.832 1.00 0.00 N ATOM 502 CA ILE A 34 -9.306 -5.099 -0.393 1.00 0.00 C ATOM 503 C ILE A 34 -9.548 -3.701 0.141 1.00 0.00 C ATOM 504 O ILE A 34 -8.765 -2.783 -0.101 1.00 0.00 O ATOM 505 CB ILE A 34 -8.058 -5.709 0.283 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.775 -5.140 -0.341 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.090 -7.230 0.188 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.497 -5.669 0.273 1.00 0.00 C ATOM 0 H ILE A 34 -8.520 -4.368 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.159 -5.735 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.066 -5.438 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.773 -5.365 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.788 -4.054 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.204 -7.643 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.983 -7.607 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.107 -7.529 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.640 -5.217 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.473 -5.420 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.457 -6.752 0.153 1.00 0.00 H new ATOM 520 N HIS A 35 -10.654 -3.524 0.834 1.00 0.00 N ATOM 521 CA HIS A 35 -11.005 -2.226 1.397 1.00 0.00 C ATOM 522 C HIS A 35 -10.690 -2.217 2.881 1.00 0.00 C ATOM 523 O HIS A 35 -11.220 -3.028 3.643 1.00 0.00 O ATOM 524 CB HIS A 35 -12.504 -1.905 1.178 1.00 0.00 C ATOM 525 CG HIS A 35 -12.934 -1.843 -0.267 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.751 -0.852 -0.776 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.682 -2.677 -1.304 1.00 0.00 C ATOM 528 CE1 HIS A 35 -13.977 -1.083 -2.052 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.343 -2.188 -2.401 1.00 0.00 N ATOM 0 H HIS A 35 -11.331 -4.263 1.024 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.418 -1.461 0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.101 -2.661 1.688 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.729 -0.949 1.651 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.071 -3.567 -1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.581 -0.471 -2.705 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.345 -2.607 -3.331 1.00 0.00 H new ATOM 538 N PHE A 36 -9.825 -1.322 3.295 1.00 0.00 N ATOM 539 CA PHE A 36 -9.437 -1.238 4.693 1.00 0.00 C ATOM 540 C PHE A 36 -9.725 0.133 5.275 1.00 0.00 C ATOM 541 O PHE A 36 -9.911 1.115 4.547 1.00 0.00 O ATOM 542 CB PHE A 36 -7.959 -1.595 4.874 1.00 0.00 C ATOM 543 CG PHE A 36 -7.684 -3.071 4.834 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.857 -3.847 5.969 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.254 -3.681 3.669 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.605 -5.204 5.942 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.001 -5.040 3.638 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.177 -5.801 4.774 1.00 0.00 C ATOM 0 H PHE A 36 -9.373 -0.639 2.687 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.040 -1.964 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.378 -1.105 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.612 -1.196 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.193 -3.385 6.885 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.115 -3.090 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.743 -5.797 6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.665 -5.506 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.980 -6.863 4.750 1.00 0.00 H new ATOM 558 N LYS A 37 -9.767 0.198 6.593 1.00 0.00 N ATOM 559 CA LYS A 37 -10.034 1.433 7.302 1.00 0.00 C ATOM 560 C LYS A 37 -8.736 1.983 7.869 1.00 0.00 C ATOM 561 O LYS A 37 -8.043 1.309 8.637 1.00 0.00 O ATOM 562 CB LYS A 37 -11.048 1.189 8.424 1.00 0.00 C ATOM 563 CG LYS A 37 -11.727 2.453 8.951 1.00 0.00 C ATOM 564 CD LYS A 37 -12.514 3.176 7.857 1.00 0.00 C ATOM 565 CE LYS A 37 -13.499 2.246 7.147 1.00 0.00 C ATOM 566 NZ LYS A 37 -14.537 1.700 8.066 1.00 0.00 N ATOM 0 H LYS A 37 -9.616 -0.606 7.202 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.457 2.162 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.815 0.504 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.542 0.691 9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.399 2.190 9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.974 3.126 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.058 4.013 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.820 3.594 7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.986 2.789 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.951 1.421 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.178 1.077 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.078 1.158 8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.081 2.484 8.480 1.00 0.00 H new ATOM 580 N VAL A 38 -8.402 3.198 7.498 1.00 0.00 N ATOM 581 CA VAL A 38 -7.155 3.810 7.904 1.00 0.00 C ATOM 582 C VAL A 38 -7.383 5.206 8.482 1.00 0.00 C ATOM 583 O VAL A 38 -8.508 5.726 8.479 1.00 0.00 O ATOM 584 CB VAL A 38 -6.173 3.906 6.704 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.791 2.520 6.207 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.777 4.728 5.571 1.00 0.00 C ATOM 0 H VAL A 38 -8.986 3.790 6.907 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.721 3.177 8.678 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.270 4.410 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.103 2.612 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.309 1.965 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.687 1.989 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.070 4.780 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.700 4.257 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.994 5.735 5.927 1.00 0.00 H new HETATM 596 OH ALY A 39 -5.541 10.554 11.497 1.00 0.00 O HETATM 597 CH ALY A 39 -4.898 10.393 12.531 1.00 0.00 C HETATM 598 CH3 ALY A 39 -4.242 11.543 13.241 1.00 0.00 C HETATM 599 NZ ALY A 39 -4.722 9.198 13.064 1.00 0.00 N HETATM 600 CE ALY A 39 -3.482 8.440 12.946 1.00 0.00 C HETATM 601 CD ALY A 39 -3.700 7.029 12.399 1.00 0.00 C HETATM 602 CG ALY A 39 -4.241 7.036 10.967 1.00 0.00 C HETATM 603 CB ALY A 39 -5.750 7.268 10.920 1.00 0.00 C HETATM 604 CA ALY A 39 -6.392 7.157 9.514 1.00 0.00 C HETATM 605 N ALY A 39 -6.325 5.804 9.007 1.00 0.00 N HETATM 606 C ALY A 39 -5.716 8.090 8.511 1.00 0.00 C HETATM 607 O ALY A 39 -5.521 7.726 7.351 1.00 0.00 O HETATM 0 HH33 ALY A 39 -3.521 12.018 12.575 1.00 0.00 H new HETATM 0 HH32 ALY A 39 -5.000 12.270 13.534 1.00 0.00 H new HETATM 0 HH31 ALY A 39 -3.728 11.177 14.130 1.00 0.00 H new HETATM 0 HZ ALY A 39 -5.494 8.783 13.586 1.00 0.00 H new HETATM 0 HG3 ALY A 39 -4.006 6.086 10.487 1.00 0.00 H new HETATM 0 HG2 ALY A 39 -3.738 7.815 10.394 1.00 0.00 H new HETATM 0 HE3 ALY A 39 -3.006 8.376 13.925 1.00 0.00 H new HETATM 0 HE2 ALY A 39 -2.795 8.976 12.292 1.00 0.00 H new HETATM 0 HD3 ALY A 39 -4.397 6.495 13.045 1.00 0.00 H new HETATM 0 HD2 ALY A 39 -2.758 6.482 12.426 1.00 0.00 H new HETATM 0 HCA ALY A 39 -7.436 7.449 9.629 1.00 0.00 H new HETATM 0 HB3 ALY A 39 -5.962 8.259 11.321 1.00 0.00 H new HETATM 0 HB2 ALY A 39 -6.233 6.547 11.580 1.00 0.00 H new HETATM 0 H ALY A 39 -5.892 5.070 9.568 1.00 0.00 H new ATOM 622 N MET A 40 -5.310 9.257 8.945 1.00 0.00 N ATOM 623 CA MET A 40 -4.744 10.231 8.032 1.00 0.00 C ATOM 624 C MET A 40 -3.285 9.899 7.725 1.00 0.00 C ATOM 625 O MET A 40 -2.837 10.002 6.586 1.00 0.00 O ATOM 626 CB MET A 40 -4.871 11.648 8.610 1.00 0.00 C ATOM 627 CG MET A 40 -4.394 12.775 7.687 1.00 0.00 C ATOM 628 SD MET A 40 -5.605 13.274 6.414 1.00 0.00 S ATOM 629 CE MET A 40 -5.699 11.826 5.357 1.00 0.00 C ATOM 0 H MET A 40 -5.358 9.559 9.918 1.00 0.00 H new ATOM 0 HA MET A 40 -5.304 10.192 7.097 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.916 11.827 8.865 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.303 11.696 9.539 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.145 13.645 8.295 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.476 12.459 7.193 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.825 12.140 4.321 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.781 11.246 5.451 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.548 11.212 5.656 1.00 0.00 H new ATOM 639 N THR A 41 -2.553 9.460 8.729 1.00 0.00 N ATOM 640 CA THR A 41 -1.138 9.194 8.568 1.00 0.00 C ATOM 641 C THR A 41 -0.801 7.688 8.616 1.00 0.00 C ATOM 642 O THR A 41 0.322 7.308 8.942 1.00 0.00 O ATOM 643 CB THR A 41 -0.334 9.939 9.648 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.834 9.593 10.947 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.444 11.444 9.457 1.00 0.00 C ATOM 0 H THR A 41 -2.915 9.280 9.665 1.00 0.00 H new ATOM 0 HA THR A 41 -0.861 9.555 7.577 1.00 0.00 H new ATOM 0 HB THR A 41 0.712 9.646 9.561 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.319 10.067 11.633 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.132 11.952 10.231 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.053 11.716 8.477 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.490 11.744 9.527 1.00 0.00 H new ATOM 653 N THR A 42 -1.760 6.832 8.262 1.00 0.00 N ATOM 654 CA THR A 42 -1.519 5.386 8.259 1.00 0.00 C ATOM 655 C THR A 42 -0.536 4.987 7.160 1.00 0.00 C ATOM 656 O THR A 42 -0.765 5.255 5.982 1.00 0.00 O ATOM 657 CB THR A 42 -2.827 4.587 8.050 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.745 4.864 9.101 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.547 3.090 8.016 1.00 0.00 C ATOM 0 H THR A 42 -2.700 7.108 7.977 1.00 0.00 H new ATOM 0 HA THR A 42 -1.099 5.147 9.236 1.00 0.00 H new ATOM 0 HB THR A 42 -3.257 4.891 7.096 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.526 4.313 9.881 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.481 2.548 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.864 2.866 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.095 2.783 8.959 1.00 0.00 H new ATOM 667 N HIS A 43 0.567 4.361 7.543 1.00 0.00 N ATOM 668 CA HIS A 43 1.510 3.848 6.562 1.00 0.00 C ATOM 669 C HIS A 43 0.927 2.613 5.870 1.00 0.00 C ATOM 670 O HIS A 43 0.682 1.582 6.495 1.00 0.00 O ATOM 671 CB HIS A 43 2.903 3.555 7.179 1.00 0.00 C ATOM 672 CG HIS A 43 2.895 2.842 8.512 1.00 0.00 C ATOM 673 ND1 HIS A 43 3.720 3.201 9.554 1.00 0.00 N ATOM 674 CD2 HIS A 43 2.179 1.785 8.960 1.00 0.00 C ATOM 675 CE1 HIS A 43 3.513 2.401 10.577 1.00 0.00 C ATOM 676 NE2 HIS A 43 2.583 1.536 10.244 1.00 0.00 N ATOM 0 H HIS A 43 0.829 4.197 8.515 1.00 0.00 H new ATOM 0 HA HIS A 43 1.669 4.624 5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.474 2.955 6.471 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.433 4.500 7.297 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.428 1.239 8.407 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.021 2.448 11.529 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.220 0.797 10.846 1.00 0.00 H new ATOM 685 N LEU A 44 0.692 2.730 4.576 1.00 0.00 N ATOM 686 CA LEU A 44 0.061 1.656 3.800 1.00 0.00 C ATOM 687 C LEU A 44 0.969 0.454 3.620 1.00 0.00 C ATOM 688 O LEU A 44 0.533 -0.596 3.147 1.00 0.00 O ATOM 689 CB LEU A 44 -0.403 2.170 2.446 1.00 0.00 C ATOM 690 CG LEU A 44 -1.458 3.267 2.489 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.914 3.612 1.089 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.640 2.846 3.351 1.00 0.00 C ATOM 0 H LEU A 44 0.927 3.559 4.030 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.804 1.324 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.464 2.545 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.799 1.331 1.874 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.013 4.155 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.668 4.398 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.062 3.960 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.340 2.727 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.381 3.645 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.089 1.943 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.297 2.648 4.367 1.00 0.00 H new ATOM 704 N LYS A 45 2.221 0.603 3.982 1.00 0.00 N ATOM 705 CA LYS A 45 3.183 -0.465 3.900 1.00 0.00 C ATOM 706 C LYS A 45 2.685 -1.709 4.645 1.00 0.00 C ATOM 707 O LYS A 45 2.725 -2.826 4.119 1.00 0.00 O ATOM 708 CB LYS A 45 4.499 0.021 4.473 1.00 0.00 C ATOM 709 CG LYS A 45 5.596 -1.004 4.499 1.00 0.00 C ATOM 710 CD LYS A 45 5.750 -1.689 3.166 1.00 0.00 C ATOM 711 CE LYS A 45 7.179 -2.116 2.946 1.00 0.00 C ATOM 712 NZ LYS A 45 7.786 -2.679 4.178 1.00 0.00 N ATOM 0 H LYS A 45 2.602 1.477 4.345 1.00 0.00 H new ATOM 0 HA LYS A 45 3.324 -0.749 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.837 0.878 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.327 0.374 5.490 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.536 -0.524 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.382 -1.747 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.095 -2.559 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.440 -1.015 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.217 -2.860 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.766 -1.261 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.549 -3.337 3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.176 -1.908 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.060 -3.187 4.722 1.00 0.00 H new ATOM 726 N LYS A 46 2.185 -1.509 5.859 1.00 0.00 N ATOM 727 CA LYS A 46 1.666 -2.602 6.667 1.00 0.00 C ATOM 728 C LYS A 46 0.451 -3.248 6.004 1.00 0.00 C ATOM 729 O LYS A 46 0.219 -4.451 6.137 1.00 0.00 O ATOM 730 CB LYS A 46 1.301 -2.108 8.080 1.00 0.00 C ATOM 731 CG LYS A 46 0.605 -3.153 8.959 1.00 0.00 C ATOM 732 CD LYS A 46 1.453 -4.409 9.138 1.00 0.00 C ATOM 733 CE LYS A 46 2.749 -4.118 9.883 1.00 0.00 C ATOM 734 NZ LYS A 46 2.504 -3.652 11.268 1.00 0.00 N ATOM 0 H LYS A 46 2.129 -0.594 6.306 1.00 0.00 H new ATOM 0 HA LYS A 46 2.450 -3.355 6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.210 -1.777 8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.652 -1.237 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.390 -2.719 9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.352 -3.423 8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.881 -5.159 9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.683 -4.834 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.363 -5.019 9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.316 -3.361 9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.403 -3.628 11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.091 -2.698 11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.845 -4.303 11.742 1.00 0.00 H new ATOM 748 N LEU A 47 -0.301 -2.466 5.251 1.00 0.00 N ATOM 749 CA LEU A 47 -1.487 -2.976 4.601 1.00 0.00 C ATOM 750 C LEU A 47 -1.054 -3.875 3.454 1.00 0.00 C ATOM 751 O LEU A 47 -1.550 -4.993 3.288 1.00 0.00 O ATOM 752 CB LEU A 47 -2.363 -1.808 4.086 1.00 0.00 C ATOM 753 CG LEU A 47 -3.815 -2.145 3.677 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.593 -0.873 3.388 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.857 -3.058 2.461 1.00 0.00 C ATOM 0 H LEU A 47 -0.110 -1.479 5.077 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.086 -3.549 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.399 -1.044 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.863 -1.364 3.225 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.276 -2.670 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.613 -1.128 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.612 -0.248 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.113 -0.330 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.894 -3.273 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.368 -2.566 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.339 -3.990 2.688 1.00 0.00 H new ATOM 767 N LYS A 48 -0.099 -3.393 2.675 1.00 0.00 N ATOM 768 CA LYS A 48 0.415 -4.134 1.543 1.00 0.00 C ATOM 769 C LYS A 48 1.032 -5.454 1.988 1.00 0.00 C ATOM 770 O LYS A 48 0.713 -6.507 1.445 1.00 0.00 O ATOM 771 CB LYS A 48 1.442 -3.305 0.772 1.00 0.00 C ATOM 772 CG LYS A 48 0.849 -2.384 -0.290 1.00 0.00 C ATOM 773 CD LYS A 48 -0.116 -1.368 0.289 1.00 0.00 C ATOM 774 CE LYS A 48 -0.591 -0.401 -0.776 1.00 0.00 C ATOM 775 NZ LYS A 48 -1.198 -1.109 -1.932 1.00 0.00 N ATOM 0 H LYS A 48 0.337 -2.481 2.812 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.423 -4.352 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.009 -2.702 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.149 -3.982 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.656 -1.861 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.332 -2.985 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.972 -1.882 0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.370 -0.817 1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.321 0.284 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.249 0.203 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.045 -0.595 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.510 -1.155 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.464 -2.073 -1.648 1.00 0.00 H new ATOM 789 N GLU A 49 1.925 -5.403 2.975 1.00 0.00 N ATOM 790 CA GLU A 49 2.557 -6.614 3.500 1.00 0.00 C ATOM 791 C GLU A 49 1.527 -7.623 4.013 1.00 0.00 C ATOM 792 O GLU A 49 1.691 -8.835 3.834 1.00 0.00 O ATOM 793 CB GLU A 49 3.565 -6.273 4.593 1.00 0.00 C ATOM 794 CG GLU A 49 4.836 -5.624 4.068 1.00 0.00 C ATOM 795 CD GLU A 49 5.813 -5.296 5.169 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.395 -6.228 5.754 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.003 -4.107 5.461 1.00 0.00 O ATOM 0 H GLU A 49 2.227 -4.540 3.427 1.00 0.00 H new ATOM 0 HA GLU A 49 3.088 -7.082 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.095 -5.603 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.828 -7.184 5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.312 -6.293 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.579 -4.711 3.531 1.00 0.00 H new ATOM 804 N SER A 50 0.460 -7.136 4.640 1.00 0.00 N ATOM 805 CA SER A 50 -0.603 -8.016 5.118 1.00 0.00 C ATOM 806 C SER A 50 -1.281 -8.710 3.933 1.00 0.00 C ATOM 807 O SER A 50 -1.585 -9.902 3.975 1.00 0.00 O ATOM 808 CB SER A 50 -1.624 -7.229 5.943 1.00 0.00 C ATOM 809 OG SER A 50 -1.000 -6.604 7.058 1.00 0.00 O ATOM 0 H SER A 50 0.308 -6.145 4.828 1.00 0.00 H new ATOM 0 HA SER A 50 -0.165 -8.778 5.763 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.100 -6.474 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.411 -7.898 6.289 1.00 0.00 H new ATOM 0 HG SER A 50 -0.453 -5.852 6.748 1.00 0.00 H new ATOM 815 N TYR A 51 -1.490 -7.957 2.859 1.00 0.00 N ATOM 816 CA TYR A 51 -2.069 -8.494 1.634 1.00 0.00 C ATOM 817 C TYR A 51 -1.143 -9.539 1.020 1.00 0.00 C ATOM 818 O TYR A 51 -1.594 -10.577 0.539 1.00 0.00 O ATOM 819 CB TYR A 51 -2.349 -7.347 0.632 1.00 0.00 C ATOM 820 CG TYR A 51 -1.979 -7.657 -0.814 1.00 0.00 C ATOM 821 CD1 TYR A 51 -2.819 -8.405 -1.633 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.779 -7.201 -1.349 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.468 -8.689 -2.942 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.425 -7.482 -2.652 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.267 -8.223 -3.441 1.00 0.00 C ATOM 826 OH TYR A 51 -0.900 -8.507 -4.736 1.00 0.00 O ATOM 0 H TYR A 51 -1.264 -6.963 2.813 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.014 -8.981 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.409 -7.096 0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.799 -6.462 0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.758 -8.769 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.112 -6.616 -0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.128 -9.271 -3.568 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.512 -7.120 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.027 -8.103 -4.925 1.00 0.00 H new ATOM 836 N CYS A 52 0.153 -9.281 1.057 1.00 0.00 N ATOM 837 CA CYS A 52 1.126 -10.181 0.464 1.00 0.00 C ATOM 838 C CYS A 52 1.178 -11.503 1.209 1.00 0.00 C ATOM 839 O CYS A 52 1.129 -12.564 0.607 1.00 0.00 O ATOM 840 CB CYS A 52 2.511 -9.536 0.448 1.00 0.00 C ATOM 841 SG CYS A 52 2.569 -7.932 -0.376 1.00 0.00 S ATOM 0 H CYS A 52 0.557 -8.452 1.493 1.00 0.00 H new ATOM 0 HA CYS A 52 0.814 -10.379 -0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.856 -9.417 1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.209 -10.212 -0.047 1.00 0.00 H new ATOM 0 HG CYS A 52 1.755 -7.110 0.217 1.00 0.00 H new ATOM 847 N GLN A 53 1.245 -11.445 2.527 1.00 0.00 N ATOM 848 CA GLN A 53 1.344 -12.654 3.332 1.00 0.00 C ATOM 849 C GLN A 53 0.044 -13.457 3.309 1.00 0.00 C ATOM 850 O GLN A 53 0.064 -14.682 3.316 1.00 0.00 O ATOM 851 CB GLN A 53 1.765 -12.327 4.767 1.00 0.00 C ATOM 852 CG GLN A 53 0.811 -11.411 5.502 1.00 0.00 C ATOM 853 CD GLN A 53 1.333 -11.000 6.858 1.00 0.00 C ATOM 854 OE1 GLN A 53 1.088 -11.668 7.861 1.00 0.00 O ATOM 855 NE2 GLN A 53 2.057 -9.902 6.897 1.00 0.00 N ATOM 0 H GLN A 53 1.233 -10.578 3.063 1.00 0.00 H new ATOM 0 HA GLN A 53 2.119 -13.278 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.860 -13.258 5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.752 -11.865 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.632 -10.520 4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.149 -11.913 5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.236 -9.378 6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.440 -9.575 7.784 1.00 0.00 H new ATOM 864 N ARG A 54 -1.092 -12.769 3.270 1.00 0.00 N ATOM 865 CA ARG A 54 -2.385 -13.441 3.223 1.00 0.00 C ATOM 866 C ARG A 54 -2.610 -14.110 1.861 1.00 0.00 C ATOM 867 O ARG A 54 -3.220 -15.176 1.768 1.00 0.00 O ATOM 868 CB ARG A 54 -3.509 -12.456 3.539 1.00 0.00 C ATOM 869 CG ARG A 54 -4.888 -13.080 3.521 1.00 0.00 C ATOM 870 CD ARG A 54 -5.938 -12.133 4.072 1.00 0.00 C ATOM 871 NE ARG A 54 -5.753 -11.860 5.505 1.00 0.00 N ATOM 872 CZ ARG A 54 -6.713 -11.389 6.310 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.917 -11.099 5.816 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.467 -11.195 7.603 1.00 0.00 N ATOM 0 H ARG A 54 -1.144 -11.750 3.270 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.390 -14.224 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.331 -12.018 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.479 -11.641 2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.149 -13.358 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.880 -13.998 4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.902 -11.194 3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.928 -12.560 3.912 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.835 -12.041 5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.107 -11.236 4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.648 -10.740 6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.544 -11.405 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.201 -10.836 8.214 1.00 0.00 H new ATOM 888 N GLN A 55 -2.107 -13.485 0.803 1.00 0.00 N ATOM 889 CA GLN A 55 -2.219 -14.039 -0.552 1.00 0.00 C ATOM 890 C GLN A 55 -1.072 -15.012 -0.811 1.00 0.00 C ATOM 891 O GLN A 55 -1.055 -15.753 -1.794 1.00 0.00 O ATOM 892 CB GLN A 55 -2.207 -12.908 -1.588 1.00 0.00 C ATOM 893 CG GLN A 55 -3.579 -12.289 -1.881 1.00 0.00 C ATOM 894 CD GLN A 55 -4.480 -12.188 -0.662 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.243 -13.104 -0.365 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.395 -11.083 0.048 1.00 0.00 N ATOM 0 H GLN A 55 -1.616 -12.592 0.852 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.162 -14.578 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.537 -12.122 -1.240 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.791 -13.292 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.436 -11.292 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.081 -12.885 -2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.749 -10.345 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.976 -10.964 0.878 1.00 0.00 H new ATOM 905 N GLY A 56 -0.123 -14.987 0.094 1.00 0.00 N ATOM 906 CA GLY A 56 1.031 -15.854 0.024 1.00 0.00 C ATOM 907 C GLY A 56 1.981 -15.482 -1.097 1.00 0.00 C ATOM 908 O GLY A 56 2.558 -16.352 -1.755 1.00 0.00 O ATOM 0 H GLY A 56 -0.128 -14.364 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.565 -15.817 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.698 -16.883 -0.115 1.00 0.00 H new ATOM 912 N VAL A 57 2.144 -14.196 -1.333 1.00 0.00 N ATOM 913 CA VAL A 57 3.075 -13.727 -2.341 1.00 0.00 C ATOM 914 C VAL A 57 4.223 -12.968 -1.716 1.00 0.00 C ATOM 915 O VAL A 57 4.030 -12.184 -0.781 1.00 0.00 O ATOM 916 CB VAL A 57 2.422 -12.842 -3.432 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.830 -13.693 -4.537 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.372 -11.923 -2.837 1.00 0.00 C ATOM 0 H VAL A 57 1.644 -13.456 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 57 3.441 -14.631 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 57 3.204 -12.219 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.378 -13.048 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.617 -14.291 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.069 -14.353 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.931 -11.314 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.593 -12.520 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.836 -11.274 -2.094 1.00 0.00 H new ATOM 928 N PRO A 58 5.434 -13.226 -2.198 1.00 0.00 N ATOM 929 CA PRO A 58 6.639 -12.531 -1.748 1.00 0.00 C ATOM 930 C PRO A 58 6.549 -11.026 -1.993 1.00 0.00 C ATOM 931 O PRO A 58 6.169 -10.581 -3.084 1.00 0.00 O ATOM 932 CB PRO A 58 7.749 -13.136 -2.621 1.00 0.00 C ATOM 933 CG PRO A 58 7.038 -13.802 -3.752 1.00 0.00 C ATOM 934 CD PRO A 58 5.728 -14.242 -3.211 1.00 0.00 C ATOM 0 HA PRO A 58 6.805 -12.651 -0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.429 -12.365 -2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.348 -13.851 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.904 -13.115 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.610 -14.651 -4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.961 -14.274 -3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.785 -15.240 -2.777 1.00 0.00 H new ATOM 942 N MET A 59 6.920 -10.235 -0.992 1.00 0.00 N ATOM 943 CA MET A 59 6.857 -8.779 -1.099 1.00 0.00 C ATOM 944 C MET A 59 7.878 -8.254 -2.108 1.00 0.00 C ATOM 945 O MET A 59 7.718 -7.183 -2.674 1.00 0.00 O ATOM 946 CB MET A 59 7.070 -8.103 0.264 1.00 0.00 C ATOM 947 CG MET A 59 8.388 -8.448 0.936 1.00 0.00 C ATOM 948 SD MET A 59 8.341 -10.030 1.792 1.00 0.00 S ATOM 949 CE MET A 59 10.008 -10.101 2.434 1.00 0.00 C ATOM 0 H MET A 59 7.268 -10.576 -0.096 1.00 0.00 H new ATOM 0 HA MET A 59 5.857 -8.528 -1.452 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.015 -7.022 0.133 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.253 -8.385 0.928 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.178 -8.469 0.186 1.00 0.00 H new ATOM 0 HG3 MET A 59 8.645 -7.663 1.647 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.143 -11.027 2.994 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.718 -10.070 1.607 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.181 -9.250 3.093 1.00 0.00 H new ATOM 959 N ASN A 60 8.930 -9.014 -2.324 1.00 0.00 N ATOM 960 CA ASN A 60 9.971 -8.623 -3.273 1.00 0.00 C ATOM 961 C ASN A 60 9.517 -8.854 -4.716 1.00 0.00 C ATOM 962 O ASN A 60 10.085 -8.301 -5.656 1.00 0.00 O ATOM 963 CB ASN A 60 11.274 -9.405 -3.004 1.00 0.00 C ATOM 964 CG ASN A 60 11.185 -10.879 -3.389 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.444 -11.253 -4.533 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.839 -11.721 -2.434 1.00 0.00 N ATOM 0 H ASN A 60 9.094 -9.907 -1.860 1.00 0.00 H new ATOM 0 HA ASN A 60 10.160 -7.558 -3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.089 -8.941 -3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.524 -9.328 -1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.779 -12.720 -2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.632 -11.373 -1.498 1.00 0.00 H new ATOM 973 N SER A 61 8.481 -9.653 -4.888 1.00 0.00 N ATOM 974 CA SER A 61 8.012 -10.021 -6.213 1.00 0.00 C ATOM 975 C SER A 61 6.857 -9.130 -6.677 1.00 0.00 C ATOM 976 O SER A 61 6.479 -9.140 -7.845 1.00 0.00 O ATOM 977 CB SER A 61 7.573 -11.483 -6.194 1.00 0.00 C ATOM 978 OG SER A 61 7.501 -12.030 -7.492 1.00 0.00 O ATOM 0 H SER A 61 7.945 -10.062 -4.123 1.00 0.00 H new ATOM 0 HA SER A 61 8.830 -9.882 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.273 -12.064 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.598 -11.563 -5.712 1.00 0.00 H new ATOM 0 HG SER A 61 6.574 -12.001 -7.808 1.00 0.00 H new ATOM 984 N LEU A 62 6.290 -8.367 -5.771 1.00 0.00 N ATOM 985 CA LEU A 62 5.175 -7.521 -6.112 1.00 0.00 C ATOM 986 C LEU A 62 5.513 -6.023 -5.904 1.00 0.00 C ATOM 987 O LEU A 62 6.439 -5.668 -5.172 1.00 0.00 O ATOM 988 CB LEU A 62 3.897 -8.004 -5.350 1.00 0.00 C ATOM 989 CG LEU A 62 3.493 -7.320 -4.034 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.664 -7.135 -3.106 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.777 -6.024 -4.305 1.00 0.00 C ATOM 0 H LEU A 62 6.583 -8.316 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 62 4.958 -7.609 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.055 -7.914 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.025 -9.066 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 62 2.798 -7.983 -3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.329 -6.648 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.093 -8.107 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.418 -6.516 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.500 -5.557 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.433 -5.355 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.878 -6.220 -4.890 1.00 0.00 H new ATOM 1003 N ARG A 63 4.775 -5.164 -6.573 1.00 0.00 N ATOM 1004 CA ARG A 63 4.999 -3.726 -6.495 1.00 0.00 C ATOM 1005 C ARG A 63 3.696 -2.956 -6.284 1.00 0.00 C ATOM 1006 O ARG A 63 2.664 -3.267 -6.885 1.00 0.00 O ATOM 1007 CB ARG A 63 5.714 -3.238 -7.754 1.00 0.00 C ATOM 1008 CG ARG A 63 5.017 -3.626 -9.047 1.00 0.00 C ATOM 1009 CD ARG A 63 5.831 -3.207 -10.251 1.00 0.00 C ATOM 1010 NE ARG A 63 5.162 -3.539 -11.514 1.00 0.00 N ATOM 1011 CZ ARG A 63 5.006 -2.687 -12.534 1.00 0.00 C ATOM 1012 NH1 ARG A 63 5.489 -1.451 -12.455 1.00 0.00 N ATOM 1013 NH2 ARG A 63 4.372 -3.075 -13.634 1.00 0.00 N ATOM 0 H ARG A 63 4.005 -5.435 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 63 5.631 -3.534 -5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.803 -2.152 -7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.727 -3.640 -7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.858 -4.704 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.033 -3.158 -9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.012 -2.133 -10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.804 -3.696 -10.218 1.00 0.00 H new ATOM 0 HE ARG A 63 4.791 -4.483 -11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.981 -1.148 -11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.368 -0.805 -13.235 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.003 -4.024 -13.702 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.254 -2.425 -14.411 1.00 0.00 H new ATOM 1027 N PHE A 64 3.745 -1.951 -5.415 1.00 0.00 N ATOM 1028 CA PHE A 64 2.576 -1.128 -5.109 1.00 0.00 C ATOM 1029 C PHE A 64 2.784 0.301 -5.553 1.00 0.00 C ATOM 1030 O PHE A 64 3.694 0.983 -5.086 1.00 0.00 O ATOM 1031 CB PHE A 64 2.270 -1.139 -3.605 1.00 0.00 C ATOM 1032 CG PHE A 64 3.248 -1.924 -2.780 1.00 0.00 C ATOM 1033 CD1 PHE A 64 3.046 -3.266 -2.567 1.00 0.00 C ATOM 1034 CD2 PHE A 64 4.363 -1.318 -2.220 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.925 -4.008 -1.817 1.00 0.00 C ATOM 1036 CE2 PHE A 64 5.255 -2.053 -1.462 1.00 0.00 C ATOM 1037 CZ PHE A 64 5.035 -3.402 -1.259 1.00 0.00 C ATOM 0 H PHE A 64 4.588 -1.684 -4.906 1.00 0.00 H new ATOM 0 HA PHE A 64 1.734 -1.557 -5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.250 -0.111 -3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.272 -1.550 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.180 -3.746 -2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.536 -0.264 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.749 -5.063 -1.663 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.121 -1.574 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.728 -3.981 -0.666 1.00 0.00 H new ATOM 1047 N LEU A 65 1.949 0.760 -6.447 1.00 0.00 N ATOM 1048 CA LEU A 65 2.033 2.119 -6.920 1.00 0.00 C ATOM 1049 C LEU A 65 0.663 2.782 -7.023 1.00 0.00 C ATOM 1050 O LEU A 65 -0.367 2.124 -7.105 1.00 0.00 O ATOM 1051 CB LEU A 65 2.804 2.185 -8.256 1.00 0.00 C ATOM 1052 CG LEU A 65 2.460 1.116 -9.299 1.00 0.00 C ATOM 1053 CD1 LEU A 65 1.086 1.345 -9.879 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.505 1.098 -10.394 1.00 0.00 C ATOM 0 H LEU A 65 1.198 0.210 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 65 2.593 2.689 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.630 3.164 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.870 2.118 -8.038 1.00 0.00 H new ATOM 0 HG LEU A 65 2.455 0.145 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.869 0.572 -10.616 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.343 1.306 -9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.052 2.323 -10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.249 0.334 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.539 2.073 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.480 0.874 -9.962 1.00 0.00 H new ATOM 1066 N PHE A 66 0.663 4.085 -6.983 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.541 4.874 -7.110 1.00 0.00 C ATOM 1068 C PHE A 66 -0.252 6.048 -8.008 1.00 0.00 C ATOM 1069 O PHE A 66 0.671 6.807 -7.750 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.024 5.357 -5.738 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.128 6.371 -5.813 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.365 6.028 -6.319 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.921 7.671 -5.382 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.376 6.958 -6.397 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.931 8.606 -5.456 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.162 8.248 -5.964 1.00 0.00 C ATOM 0 H PHE A 66 1.509 4.641 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.333 4.262 -7.542 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.368 4.499 -5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.182 5.788 -5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.542 5.018 -6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.958 7.955 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.338 6.676 -6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.759 9.617 -5.117 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.956 8.977 -6.022 1.00 0.00 H new ATOM 1086 N GLU A 67 -1.025 6.195 -9.074 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.817 7.255 -10.062 1.00 0.00 C ATOM 1088 C GLU A 67 0.617 7.269 -10.604 1.00 0.00 C ATOM 1089 O GLU A 67 1.116 8.293 -11.074 1.00 0.00 O ATOM 1090 CB GLU A 67 -1.208 8.619 -9.496 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.682 8.714 -9.152 1.00 0.00 C ATOM 1092 CD GLU A 67 -3.200 10.128 -9.171 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.132 10.808 -8.130 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.689 10.564 -10.238 1.00 0.00 O ATOM 0 H GLU A 67 -1.815 5.585 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.472 7.038 -10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.618 8.819 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.959 9.393 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.254 8.114 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.847 8.285 -8.163 1.00 0.00 H new ATOM 1101 N GLY A 68 1.269 6.118 -10.549 1.00 0.00 N ATOM 1102 CA GLY A 68 2.594 5.982 -11.095 1.00 0.00 C ATOM 1103 C GLY A 68 3.688 6.169 -10.069 1.00 0.00 C ATOM 1104 O GLY A 68 4.864 6.232 -10.417 1.00 0.00 O ATOM 0 H GLY A 68 0.894 5.267 -10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.694 4.995 -11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.727 6.712 -11.894 1.00 0.00 H new ATOM 1108 N GLN A 69 3.328 6.262 -8.801 1.00 0.00 N ATOM 1109 CA GLN A 69 4.323 6.426 -7.761 1.00 0.00 C ATOM 1110 C GLN A 69 4.297 5.238 -6.823 1.00 0.00 C ATOM 1111 O GLN A 69 3.235 4.795 -6.390 1.00 0.00 O ATOM 1112 CB GLN A 69 4.096 7.731 -6.996 1.00 0.00 C ATOM 1113 CG GLN A 69 2.904 7.721 -6.066 1.00 0.00 C ATOM 1114 CD GLN A 69 2.516 9.112 -5.623 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.367 9.987 -5.455 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.229 9.337 -5.474 1.00 0.00 N ATOM 0 H GLN A 69 2.364 6.227 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 69 5.308 6.478 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.991 7.956 -6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.971 8.541 -7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.058 7.252 -6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.133 7.113 -5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.559 8.583 -5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.901 10.266 -5.209 1.00 0.00 H new ATOM 1125 N ARG A 70 5.456 4.706 -6.527 1.00 0.00 N ATOM 1126 CA ARG A 70 5.558 3.549 -5.660 1.00 0.00 C ATOM 1127 C ARG A 70 5.318 3.924 -4.213 1.00 0.00 C ATOM 1128 O ARG A 70 5.786 4.962 -3.728 1.00 0.00 O ATOM 1129 CB ARG A 70 6.912 2.871 -5.832 1.00 0.00 C ATOM 1130 CG ARG A 70 7.151 2.371 -7.246 1.00 0.00 C ATOM 1131 CD ARG A 70 8.541 1.793 -7.412 1.00 0.00 C ATOM 1132 NE ARG A 70 8.737 0.567 -6.641 1.00 0.00 N ATOM 1133 CZ ARG A 70 9.857 -0.158 -6.669 1.00 0.00 C ATOM 1134 NH1 ARG A 70 10.890 0.240 -7.410 1.00 0.00 N ATOM 1135 NH2 ARG A 70 9.942 -1.277 -5.958 1.00 0.00 N ATOM 0 H ARG A 70 6.350 5.055 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 70 4.781 2.841 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.701 3.574 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.983 2.032 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.410 1.611 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.012 3.192 -7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.721 1.587 -8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.278 2.534 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 70 7.973 0.247 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.825 1.099 -7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.746 -0.314 -7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.151 -1.582 -5.391 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.798 -1.831 -5.979 1.00 0.00 H new ATOM 1149 N ILE A 71 4.560 3.103 -3.524 1.00 0.00 N ATOM 1150 CA ILE A 71 4.242 3.351 -2.139 1.00 0.00 C ATOM 1151 C ILE A 71 5.392 2.909 -1.237 1.00 0.00 C ATOM 1152 O ILE A 71 5.674 1.718 -1.103 1.00 0.00 O ATOM 1153 CB ILE A 71 2.941 2.628 -1.710 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.879 2.691 -2.825 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.396 3.258 -0.440 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.454 4.097 -3.204 1.00 0.00 C ATOM 0 H ILE A 71 4.149 2.251 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 71 4.087 4.425 -2.032 1.00 0.00 H new ATOM 0 HB ILE A 71 3.177 1.580 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.270 2.191 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.000 2.132 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.481 2.745 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.136 3.170 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.180 4.311 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.705 4.050 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.031 4.597 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.320 4.656 -3.558 1.00 0.00 H new ATOM 1168 N ALA A 72 6.071 3.882 -0.646 1.00 0.00 N ATOM 1169 CA ALA A 72 7.182 3.624 0.254 1.00 0.00 C ATOM 1170 C ALA A 72 6.696 3.047 1.576 1.00 0.00 C ATOM 1171 O ALA A 72 5.492 3.049 1.869 1.00 0.00 O ATOM 1172 CB ALA A 72 7.960 4.906 0.496 1.00 0.00 C ATOM 0 H ALA A 72 5.866 4.872 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 72 7.837 2.888 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.791 4.705 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.345 5.282 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.302 5.652 0.942 1.00 0.00 H new ATOM 1178 N ASP A 73 7.634 2.584 2.389 1.00 0.00 N ATOM 1179 CA ASP A 73 7.320 1.977 3.680 1.00 0.00 C ATOM 1180 C ASP A 73 6.669 2.989 4.618 1.00 0.00 C ATOM 1181 O ASP A 73 5.822 2.646 5.443 1.00 0.00 O ATOM 1182 CB ASP A 73 8.598 1.390 4.311 1.00 0.00 C ATOM 1183 CG ASP A 73 8.378 0.751 5.679 1.00 0.00 C ATOM 1184 OD1 ASP A 73 8.343 1.480 6.688 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.263 -0.493 5.746 1.00 0.00 O ATOM 0 H ASP A 73 8.631 2.617 2.176 1.00 0.00 H new ATOM 0 HA ASP A 73 6.606 1.170 3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.014 0.643 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.340 2.182 4.407 1.00 0.00 H new ATOM 1190 N ASN A 74 7.034 4.247 4.471 1.00 0.00 N ATOM 1191 CA ASN A 74 6.501 5.292 5.330 1.00 0.00 C ATOM 1192 C ASN A 74 5.499 6.166 4.582 1.00 0.00 C ATOM 1193 O ASN A 74 5.152 7.258 5.036 1.00 0.00 O ATOM 1194 CB ASN A 74 7.641 6.159 5.889 1.00 0.00 C ATOM 1195 CG ASN A 74 8.603 5.384 6.781 1.00 0.00 C ATOM 1196 OD1 ASN A 74 9.806 5.661 6.803 1.00 0.00 O ATOM 1197 ND2 ASN A 74 8.086 4.430 7.534 1.00 0.00 N ATOM 0 H ASN A 74 7.696 4.573 3.767 1.00 0.00 H new ATOM 0 HA ASN A 74 5.981 4.810 6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.197 6.596 5.059 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.215 6.986 6.457 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.686 3.894 8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.087 4.230 7.489 1.00 0.00 H new ATOM 1204 N HIS A 75 5.015 5.694 3.433 1.00 0.00 N ATOM 1205 CA HIS A 75 4.052 6.473 2.662 1.00 0.00 C ATOM 1206 C HIS A 75 2.652 6.325 3.225 1.00 0.00 C ATOM 1207 O HIS A 75 2.227 5.234 3.617 1.00 0.00 O ATOM 1208 CB HIS A 75 4.080 6.114 1.174 1.00 0.00 C ATOM 1209 CG HIS A 75 4.826 7.112 0.334 1.00 0.00 C ATOM 1210 ND1 HIS A 75 5.100 6.929 -1.009 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.343 8.323 0.654 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.753 7.980 -1.466 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.910 8.834 -0.479 1.00 0.00 N ATOM 0 H HIS A 75 5.268 4.795 3.024 1.00 0.00 H new ATOM 0 HA HIS A 75 4.348 7.518 2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.539 5.133 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.057 6.034 0.808 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.312 8.796 1.624 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.100 8.116 -2.480 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.381 9.736 -0.548 1.00 0.00 H new ATOM 1222 N THR A 76 1.924 7.426 3.251 1.00 0.00 N ATOM 1223 CA THR A 76 0.595 7.470 3.837 1.00 0.00 C ATOM 1224 C THR A 76 -0.385 8.128 2.865 1.00 0.00 C ATOM 1225 O THR A 76 0.041 8.750 1.883 1.00 0.00 O ATOM 1226 CB THR A 76 0.638 8.310 5.132 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.897 9.673 4.802 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.745 7.833 6.033 1.00 0.00 C ATOM 0 H THR A 76 2.237 8.317 2.866 1.00 0.00 H new ATOM 0 HA THR A 76 0.270 6.452 4.053 1.00 0.00 H new ATOM 0 HB THR A 76 -0.321 8.208 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.700 9.977 5.275 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.761 8.436 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.577 6.788 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.701 7.929 5.517 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.714 8.007 3.106 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.713 8.666 2.271 1.00 0.00 C ATOM 1238 C PRO A 77 -2.580 10.179 2.318 1.00 0.00 C ATOM 1239 O PRO A 77 -2.851 10.867 1.338 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.055 8.228 2.867 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.736 7.728 4.235 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.336 7.196 4.174 1.00 0.00 C ATOM 0 HA PRO A 77 -2.603 8.393 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.758 9.060 2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.518 7.449 2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.816 8.529 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.435 6.948 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.817 7.317 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.319 6.133 3.934 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.139 10.701 3.459 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.963 12.136 3.619 1.00 0.00 C ATOM 1252 C LYS A 78 -0.719 12.589 2.876 1.00 0.00 C ATOM 1253 O LYS A 78 -0.638 13.709 2.387 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.875 12.507 5.120 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.551 12.148 5.810 1.00 0.00 C ATOM 1256 CD LYS A 78 0.462 13.287 5.742 1.00 0.00 C ATOM 1257 CE LYS A 78 1.806 12.878 6.328 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.855 13.896 6.071 1.00 0.00 N ATOM 0 H LYS A 78 -1.898 10.151 4.283 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.827 12.649 3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.039 13.580 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.688 12.008 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.743 11.897 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.128 11.260 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.595 13.595 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.076 14.151 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.703 12.727 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.113 11.924 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.732 13.621 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.032 13.961 5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.537 14.820 6.427 1.00 0.00 H new ATOM 1272 N GLU A 79 0.249 11.690 2.776 1.00 0.00 N ATOM 1273 CA GLU A 79 1.500 11.994 2.135 1.00 0.00 C ATOM 1274 C GLU A 79 1.328 12.018 0.633 1.00 0.00 C ATOM 1275 O GLU A 79 1.873 12.870 -0.060 1.00 0.00 O ATOM 1276 CB GLU A 79 2.538 10.948 2.507 1.00 0.00 C ATOM 1277 CG GLU A 79 3.947 11.477 2.510 1.00 0.00 C ATOM 1278 CD GLU A 79 4.135 12.552 3.550 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.620 13.672 3.359 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.770 12.279 4.574 1.00 0.00 O ATOM 0 H GLU A 79 0.181 10.738 3.137 1.00 0.00 H new ATOM 0 HA GLU A 79 1.834 12.976 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.305 10.551 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.472 10.116 1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.642 10.660 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.188 11.877 1.525 1.00 0.00 H new ATOM 1287 N LEU A 80 0.569 11.070 0.135 1.00 0.00 N ATOM 1288 CA LEU A 80 0.330 10.935 -1.284 1.00 0.00 C ATOM 1289 C LEU A 80 -0.849 11.792 -1.744 1.00 0.00 C ATOM 1290 O LEU A 80 -1.095 11.936 -2.940 1.00 0.00 O ATOM 1291 CB LEU A 80 0.089 9.468 -1.602 1.00 0.00 C ATOM 1292 CG LEU A 80 1.243 8.540 -1.222 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.791 7.099 -1.217 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.412 8.732 -2.173 1.00 0.00 C ATOM 0 H LEU A 80 0.098 10.367 0.705 1.00 0.00 H new ATOM 0 HA LEU A 80 1.207 11.291 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.811 9.140 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.105 9.368 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 80 1.572 8.795 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.628 6.456 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.015 6.973 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.433 6.827 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.225 8.064 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.094 8.505 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.756 9.765 -2.123 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.583 12.356 -0.791 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.711 13.215 -1.125 1.00 0.00 C ATOM 1308 C GLY A 81 -3.891 12.449 -1.698 1.00 0.00 C ATOM 1309 O GLY A 81 -4.575 12.925 -2.602 1.00 0.00 O ATOM 0 H GLY A 81 -1.419 12.235 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.031 13.749 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.388 13.966 -1.846 1.00 0.00 H new ATOM 1313 N MET A 82 -4.139 11.264 -1.175 1.00 0.00 N ATOM 1314 CA MET A 82 -5.238 10.430 -1.654 1.00 0.00 C ATOM 1315 C MET A 82 -6.530 10.734 -0.901 1.00 0.00 C ATOM 1316 O MET A 82 -6.524 11.446 0.109 1.00 0.00 O ATOM 1317 CB MET A 82 -4.882 8.953 -1.515 1.00 0.00 C ATOM 1318 CG MET A 82 -3.653 8.563 -2.305 1.00 0.00 C ATOM 1319 SD MET A 82 -3.299 6.799 -2.245 1.00 0.00 S ATOM 1320 CE MET A 82 -2.900 6.589 -0.525 1.00 0.00 C ATOM 0 H MET A 82 -3.596 10.851 -0.416 1.00 0.00 H new ATOM 0 HA MET A 82 -5.399 10.658 -2.708 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.719 8.722 -0.462 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.727 8.349 -1.846 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.786 8.865 -3.344 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.793 9.112 -1.921 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.456 5.606 -0.372 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.192 7.359 -0.219 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.808 6.674 0.072 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.639 10.191 -1.385 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.939 10.415 -0.763 1.00 0.00 C ATOM 1332 C GLU A 83 -9.543 9.109 -0.264 1.00 0.00 C ATOM 1333 O GLU A 83 -8.894 8.065 -0.295 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.886 11.121 -1.728 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.477 12.550 -2.028 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.489 13.284 -2.864 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.626 13.478 -2.393 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.150 13.693 -3.991 1.00 0.00 O ATOM 0 H GLU A 83 -7.665 9.590 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.790 11.063 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.929 10.559 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.892 11.118 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.331 13.085 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.518 12.547 -2.546 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.785 9.158 0.197 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.425 7.981 0.753 1.00 0.00 C ATOM 1347 C GLU A 84 -11.895 6.997 -0.306 1.00 0.00 C ATOM 1348 O GLU A 84 -12.439 7.367 -1.344 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.545 8.336 1.738 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.385 9.563 1.371 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.289 9.346 0.174 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.269 8.581 0.298 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.038 9.949 -0.885 1.00 0.00 O ATOM 0 H GLU A 84 -11.365 9.997 0.196 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.649 7.468 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.210 7.477 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.102 8.502 2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.995 9.845 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.718 10.400 1.165 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.648 5.729 -0.018 1.00 0.00 N ATOM 1361 CA GLU A 85 -11.963 4.607 -0.878 1.00 0.00 C ATOM 1362 C GLU A 85 -11.232 4.730 -2.206 1.00 0.00 C ATOM 1363 O GLU A 85 -11.643 4.177 -3.234 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.474 4.423 -1.059 1.00 0.00 C ATOM 1365 CG GLU A 85 -13.846 3.096 -1.708 1.00 0.00 C ATOM 1366 CD GLU A 85 -15.238 2.650 -1.379 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.200 3.269 -1.872 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -15.379 1.680 -0.612 1.00 0.00 O ATOM 0 H GLU A 85 -11.205 5.446 0.856 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.608 3.700 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.961 4.493 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.862 5.239 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.746 3.187 -2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.140 2.330 -1.386 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.120 5.450 -2.176 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.295 5.603 -3.353 1.00 0.00 C ATOM 1377 C ASP A 86 -8.687 4.259 -3.702 1.00 0.00 C ATOM 1378 O ASP A 86 -8.706 3.322 -2.888 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.200 6.642 -3.130 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.952 7.483 -4.364 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.790 6.908 -5.470 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.934 8.728 -4.244 1.00 0.00 O ATOM 0 H ASP A 86 -9.773 5.935 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.914 5.955 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.480 7.291 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.277 6.139 -2.843 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.129 4.140 -4.879 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.624 2.859 -5.301 1.00 0.00 C ATOM 1389 C VAL A 87 -6.140 2.902 -5.634 1.00 0.00 C ATOM 1390 O VAL A 87 -5.673 3.728 -6.427 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.443 2.248 -6.481 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.932 2.293 -6.181 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.151 2.940 -7.804 1.00 0.00 C ATOM 0 H VAL A 87 -8.014 4.898 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.750 2.197 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.131 1.208 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.485 1.862 -7.016 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.138 1.721 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.243 3.328 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.744 2.480 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.407 3.997 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.092 2.840 -8.041 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.393 2.028 -4.991 1.00 0.00 N ATOM 1404 CA ILE A 88 -3.973 1.893 -5.239 1.00 0.00 C ATOM 1405 C ILE A 88 -3.760 0.699 -6.143 1.00 0.00 C ATOM 1406 O ILE A 88 -4.399 -0.339 -5.965 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.150 1.713 -3.915 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.060 3.030 -3.126 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.748 1.185 -4.205 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.377 3.527 -2.586 1.00 0.00 C ATOM 0 H ILE A 88 -5.754 1.391 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.617 2.809 -5.710 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.680 0.981 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.369 2.894 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.634 3.797 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.201 1.070 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.819 0.219 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.220 1.888 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.219 4.460 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.067 3.699 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.798 2.782 -1.911 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.847 0.818 -7.075 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.618 -0.218 -8.057 1.00 0.00 C ATOM 1424 C GLU A 89 -1.481 -1.116 -7.594 1.00 0.00 C ATOM 1425 O GLU A 89 -0.426 -0.641 -7.158 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.265 0.420 -9.391 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.223 -0.542 -10.555 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.595 -0.895 -11.052 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.328 0.029 -11.464 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.947 -2.088 -11.056 1.00 0.00 O ATOM 0 H GLU A 89 -2.242 1.633 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.521 -0.818 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.992 1.202 -9.609 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.293 0.905 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.647 -0.100 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.703 -1.451 -10.253 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.684 -2.400 -7.656 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.674 -3.334 -7.241 1.00 0.00 C ATOM 1439 C VAL A 90 -0.421 -4.378 -8.306 1.00 0.00 C ATOM 1440 O VAL A 90 -1.350 -4.952 -8.884 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.045 -4.022 -5.894 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.303 -5.335 -5.724 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.735 -3.103 -4.727 1.00 0.00 C ATOM 0 H VAL A 90 -2.546 -2.828 -7.993 1.00 0.00 H new ATOM 0 HA VAL A 90 0.242 -2.763 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.115 -4.231 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.583 -5.791 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.563 -6.008 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.771 -5.150 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.000 -3.599 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.329 -2.866 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.311 -2.183 -4.825 1.00 0.00 H new ATOM 1453 N TYR A 91 0.835 -4.625 -8.574 1.00 0.00 N ATOM 1454 CA TYR A 91 1.211 -5.621 -9.527 1.00 0.00 C ATOM 1455 C TYR A 91 2.014 -6.689 -8.846 1.00 0.00 C ATOM 1456 O TYR A 91 2.799 -6.407 -7.952 1.00 0.00 O ATOM 1457 CB TYR A 91 2.016 -5.019 -10.665 1.00 0.00 C ATOM 1458 CG TYR A 91 1.290 -3.942 -11.421 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.192 -4.247 -12.207 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.701 -2.623 -11.351 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.476 -3.268 -12.902 1.00 0.00 C ATOM 1462 CE2 TYR A 91 1.041 -1.637 -12.048 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.046 -1.964 -12.820 1.00 0.00 C ATOM 1464 OH TYR A 91 -0.701 -0.983 -13.526 1.00 0.00 O ATOM 0 H TYR A 91 1.619 -4.140 -8.137 1.00 0.00 H new ATOM 0 HA TYR A 91 0.303 -6.053 -9.948 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.942 -4.607 -10.264 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.295 -5.812 -11.359 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.145 -5.271 -12.275 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.553 -2.363 -10.740 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.333 -3.521 -13.509 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.376 -0.612 -11.988 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.273 -0.118 -13.358 1.00 0.00 H new ATOM 1474 N GLN A 92 1.819 -7.909 -9.248 1.00 0.00 N ATOM 1475 CA GLN A 92 2.541 -9.007 -8.671 1.00 0.00 C ATOM 1476 C GLN A 92 3.238 -9.808 -9.761 1.00 0.00 C ATOM 1477 O GLN A 92 2.605 -10.420 -10.622 1.00 0.00 O ATOM 1478 CB GLN A 92 1.617 -9.886 -7.808 1.00 0.00 C ATOM 1479 CG GLN A 92 0.500 -10.582 -8.580 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.448 -11.360 -7.691 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.955 -12.405 -8.083 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.729 -10.838 -6.508 1.00 0.00 N ATOM 0 H GLN A 92 1.160 -8.172 -9.980 1.00 0.00 H new ATOM 0 HA GLN A 92 3.309 -8.611 -8.007 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.221 -10.643 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.172 -9.267 -7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.066 -9.836 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.941 -11.260 -9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.286 -9.966 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.388 -11.307 -5.887 1.00 0.00 H new ATOM 1491 N GLU A 93 4.545 -9.764 -9.743 1.00 0.00 N ATOM 1492 CA GLU A 93 5.353 -10.453 -10.721 1.00 0.00 C ATOM 1493 C GLU A 93 5.728 -11.824 -10.191 1.00 0.00 C ATOM 1494 O GLU A 93 5.308 -12.198 -9.089 1.00 0.00 O ATOM 1495 CB GLU A 93 6.580 -9.610 -11.050 1.00 0.00 C ATOM 1496 CG GLU A 93 6.213 -8.232 -11.596 1.00 0.00 C ATOM 1497 CD GLU A 93 7.411 -7.379 -11.927 1.00 0.00 C ATOM 1498 OE1 GLU A 93 8.209 -7.779 -12.800 1.00 0.00 O ATOM 1499 OE2 GLU A 93 7.555 -6.288 -11.342 1.00 0.00 O ATOM 0 H GLU A 93 5.083 -9.248 -9.047 1.00 0.00 H new ATOM 0 HA GLU A 93 4.792 -10.597 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.187 -9.492 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.193 -10.136 -11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.605 -8.355 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.597 -7.711 -10.863 1.00 0.00 H new ATOM 1506 N GLN A 94 6.519 -12.588 -10.930 1.00 0.00 N ATOM 1507 CA GLN A 94 6.856 -13.943 -10.507 1.00 0.00 C ATOM 1508 C GLN A 94 8.235 -13.975 -9.878 1.00 0.00 C ATOM 1509 O GLN A 94 8.670 -15.000 -9.337 1.00 0.00 O ATOM 1510 CB GLN A 94 6.841 -14.885 -11.703 1.00 0.00 C ATOM 1511 CG GLN A 94 5.516 -14.948 -12.437 1.00 0.00 C ATOM 1512 CD GLN A 94 5.571 -15.850 -13.660 1.00 0.00 C ATOM 1513 OE1 GLN A 94 4.572 -16.456 -14.038 1.00 0.00 O ATOM 1514 NE2 GLN A 94 6.737 -15.948 -14.282 1.00 0.00 N ATOM 0 H GLN A 94 6.936 -12.299 -11.815 1.00 0.00 H new ATOM 0 HA GLN A 94 6.115 -14.263 -9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 94 7.616 -14.574 -12.404 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.102 -15.887 -11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.744 -15.309 -11.757 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.226 -13.943 -12.743 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.544 -15.428 -13.937 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.827 -16.543 -15.106 1.00 0.00 H new ATOM 1523 N THR A 95 8.934 -12.860 -9.953 1.00 0.00 N ATOM 1524 CA THR A 95 10.246 -12.748 -9.404 1.00 0.00 C ATOM 1525 C THR A 95 10.558 -11.287 -9.111 1.00 0.00 C ATOM 1526 O THR A 95 9.995 -10.371 -9.728 1.00 0.00 O ATOM 1527 CB THR A 95 11.322 -13.356 -10.349 1.00 0.00 C ATOM 1528 OG1 THR A 95 12.622 -13.264 -9.749 1.00 0.00 O ATOM 1529 CG2 THR A 95 11.335 -12.653 -11.699 1.00 0.00 C ATOM 0 H THR A 95 8.595 -12.009 -10.401 1.00 0.00 H new ATOM 0 HA THR A 95 10.273 -13.318 -8.475 1.00 0.00 H new ATOM 0 HB THR A 95 11.067 -14.404 -10.508 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.289 -13.652 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.098 -13.102 -12.336 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.359 -12.758 -12.173 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.558 -11.596 -11.556 1.00 0.00 H new ATOM 1537 N GLY A 96 11.445 -11.079 -8.180 1.00 0.00 N ATOM 1538 CA GLY A 96 11.822 -9.745 -7.776 1.00 0.00 C ATOM 1539 C GLY A 96 13.250 -9.686 -7.302 1.00 0.00 C ATOM 1540 O GLY A 96 13.668 -8.725 -6.650 1.00 0.00 O ATOM 0 H GLY A 96 11.929 -11.824 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.689 -9.060 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.160 -9.406 -6.979 1.00 0.00 H new ATOM 1544 N GLY A 97 14.012 -10.713 -7.622 1.00 0.00 N ATOM 1545 CA GLY A 97 15.395 -10.764 -7.224 1.00 0.00 C ATOM 1546 C GLY A 97 15.845 -12.180 -6.981 1.00 0.00 C ATOM 1547 O GLY A 97 15.009 -13.001 -6.544 1.00 0.00 O ATOM 1548 OXT GLY A 97 17.028 -12.485 -7.236 1.00 0.00 O ATOM 0 H GLY A 97 13.692 -11.521 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 97 16.015 -10.311 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.536 -10.175 -6.318 1.00 0.00 H new TER 1552 GLY A 97