USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 785 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 21 THR OG1 : rot 108:sc= 0.68 USER MOD Set 1.2: A 43 HIS : no HD1:sc= -0.678 X(o=0.0015,f=0.39) USER MOD Set 2.1: A 11 MET CE :methyl -116:sc= -0.672 (180deg=-0.786) USER MOD Set 2.2: A 26 THR OG1 : rot 130:sc= -0.59 USER MOD Set 3.1: A 23 SER OG : rot 41:sc= -0.47 USER MOD Set 3.2: A 25 HIS : no HE2:sc= -0.418 X(o=-0.89,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ -169:sc= -0.0626 (180deg=-0.194) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -107:sc= -0.589 (180deg=-1.77) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0722) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00745) USER MOD Single : A 20 ASN : amide:sc=-0.00436 X(o=-0.0044,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 27 MET CE :methyl -161:sc= -4.41! (180deg=-5.57!) USER MOD Single : A 28 SER OG : rot 180:sc= -1.69 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc=-0.00524 X(o=-0.0052,f=-0.36) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -70:sc= -1.24 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -2.59 K(o=-2.6,f=-3.4!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.055) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.24 F(o=-2,f=-1.2) USER MOD Single : A 61 HIS : no HD1:sc= -0.0954 X(o=-0.095,f=0.01) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0285 USER MOD Single : A 66 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 68 MET CE :methyl -169:sc= -1.56 (180deg=-2.04) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -0.0477 (180deg=-0.334) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.602 -3.011 -17.768 1.00 0.00 N ATOM 2 CA GLY A 1 -10.767 -1.836 -17.594 1.00 0.00 C ATOM 3 C GLY A 1 -9.756 -2.005 -16.478 1.00 0.00 C ATOM 4 O GLY A 1 -8.723 -1.335 -16.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.144 -2.924 -18.651 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.002 -3.860 -17.812 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.258 -3.092 -16.965 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.243 -1.625 -18.526 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.398 -0.973 -17.381 1.00 0.00 H new ATOM 8 N SER A 2 -10.052 -2.902 -15.543 1.00 0.00 N ATOM 9 CA SER A 2 -9.163 -3.152 -14.414 1.00 0.00 C ATOM 10 C SER A 2 -8.954 -4.649 -14.209 1.00 0.00 C ATOM 11 O SER A 2 -9.904 -5.432 -14.247 1.00 0.00 O ATOM 12 CB SER A 2 -9.733 -2.526 -13.140 1.00 0.00 C ATOM 13 OG SER A 2 -9.529 -1.123 -13.126 1.00 0.00 O ATOM 0 H SER A 2 -10.901 -3.468 -15.545 1.00 0.00 H new ATOM 0 HA SER A 2 -8.198 -2.695 -14.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.799 -2.742 -13.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.259 -2.974 -12.267 1.00 0.00 H new ATOM 0 HG SER A 2 -9.904 -0.746 -12.303 1.00 0.00 H new ATOM 19 N HIS A 3 -7.703 -5.042 -13.992 1.00 0.00 N ATOM 20 CA HIS A 3 -7.367 -6.445 -13.780 1.00 0.00 C ATOM 21 C HIS A 3 -7.825 -6.911 -12.401 1.00 0.00 C ATOM 22 O HIS A 3 -7.747 -6.164 -11.426 1.00 0.00 O ATOM 23 CB HIS A 3 -5.861 -6.660 -13.930 1.00 0.00 C ATOM 24 CG HIS A 3 -5.282 -6.011 -15.150 1.00 0.00 C ATOM 25 ND1 HIS A 3 -5.171 -6.656 -16.364 1.00 0.00 N ATOM 26 CD2 HIS A 3 -4.782 -4.768 -15.338 1.00 0.00 C ATOM 27 CE1 HIS A 3 -4.627 -5.837 -17.246 1.00 0.00 C ATOM 28 NE2 HIS A 3 -4.381 -4.685 -16.649 1.00 0.00 N ATOM 0 H HIS A 3 -6.905 -4.408 -13.958 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.887 -7.035 -14.535 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.357 -6.269 -13.046 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.657 -7.730 -13.966 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.711 -3.987 -14.596 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.419 -6.070 -18.280 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.961 -3.867 -17.090 1.00 0.00 H new ATOM 36 N MET A 4 -8.302 -8.149 -12.328 1.00 0.00 N ATOM 37 CA MET A 4 -8.771 -8.714 -11.068 1.00 0.00 C ATOM 38 C MET A 4 -8.168 -10.094 -10.832 1.00 0.00 C ATOM 39 O MET A 4 -7.917 -10.843 -11.777 1.00 0.00 O ATOM 40 CB MET A 4 -10.298 -8.804 -11.062 1.00 0.00 C ATOM 41 CG MET A 4 -10.856 -9.737 -12.125 1.00 0.00 C ATOM 42 SD MET A 4 -11.220 -8.887 -13.673 1.00 0.00 S ATOM 43 CE MET A 4 -13.005 -9.027 -13.724 1.00 0.00 C ATOM 0 H MET A 4 -8.374 -8.780 -13.126 1.00 0.00 H new ATOM 0 HA MET A 4 -8.450 -8.055 -10.262 1.00 0.00 H new ATOM 0 HB2 MET A 4 -10.630 -9.144 -10.081 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.713 -7.807 -11.211 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.139 -10.536 -12.314 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.766 -10.206 -11.750 1.00 0.00 H new ATOM 0 HE1 MET A 4 -13.382 -8.547 -14.627 1.00 0.00 H new ATOM 0 HE2 MET A 4 -13.287 -10.080 -13.728 1.00 0.00 H new ATOM 0 HE3 MET A 4 -13.433 -8.540 -12.848 1.00 0.00 H new ATOM 53 N VAL A 5 -7.935 -10.426 -9.566 1.00 0.00 N ATOM 54 CA VAL A 5 -7.362 -11.718 -9.207 1.00 0.00 C ATOM 55 C VAL A 5 -8.165 -12.387 -8.098 1.00 0.00 C ATOM 56 O VAL A 5 -9.197 -11.871 -7.667 1.00 0.00 O ATOM 57 CB VAL A 5 -5.898 -11.574 -8.750 1.00 0.00 C ATOM 58 CG1 VAL A 5 -5.036 -11.030 -9.880 1.00 0.00 C ATOM 59 CG2 VAL A 5 -5.809 -10.679 -7.523 1.00 0.00 C ATOM 0 H VAL A 5 -8.134 -9.818 -8.772 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.397 -12.339 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.521 -12.561 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.005 -10.935 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.075 -11.713 -10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.409 -10.052 -10.184 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.768 -10.588 -7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.204 -9.692 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.392 -11.115 -6.712 1.00 0.00 H new ATOM 69 N ASP A 6 -7.686 -13.538 -7.640 1.00 0.00 N ATOM 70 CA ASP A 6 -8.359 -14.278 -6.579 1.00 0.00 C ATOM 71 C ASP A 6 -7.362 -14.740 -5.521 1.00 0.00 C ATOM 72 O ASP A 6 -7.702 -15.515 -4.627 1.00 0.00 O ATOM 73 CB ASP A 6 -9.100 -15.483 -7.159 1.00 0.00 C ATOM 74 CG ASP A 6 -10.178 -15.080 -8.147 1.00 0.00 C ATOM 75 OD1 ASP A 6 -9.862 -14.946 -9.348 1.00 0.00 O ATOM 76 OD2 ASP A 6 -11.336 -14.898 -7.719 1.00 0.00 O ATOM 0 H ASP A 6 -6.834 -13.979 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.080 -13.611 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.386 -16.141 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.551 -16.054 -6.347 1.00 0.00 H new ATOM 81 N LYS A 7 -6.127 -14.260 -5.630 1.00 0.00 N ATOM 82 CA LYS A 7 -5.079 -14.623 -4.684 1.00 0.00 C ATOM 83 C LYS A 7 -4.815 -16.125 -4.713 1.00 0.00 C ATOM 84 O LYS A 7 -5.652 -16.918 -5.146 1.00 0.00 O ATOM 85 CB LYS A 7 -5.468 -14.190 -3.268 1.00 0.00 C ATOM 86 CG LYS A 7 -5.176 -12.728 -2.977 1.00 0.00 C ATOM 87 CD LYS A 7 -3.683 -12.471 -2.861 1.00 0.00 C ATOM 88 CE LYS A 7 -3.372 -10.982 -2.860 1.00 0.00 C ATOM 89 NZ LYS A 7 -2.005 -10.701 -2.341 1.00 0.00 N ATOM 0 H LYS A 7 -5.828 -13.619 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.165 -14.106 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.532 -14.376 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.933 -14.809 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.592 -12.108 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.670 -12.435 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.305 -12.923 -1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.164 -12.952 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.463 -10.591 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.107 -10.458 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.832 -9.676 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.926 -11.051 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.301 -11.180 -2.939 1.00 0.00 H new ATOM 103 N PRO A 8 -3.626 -16.527 -4.241 1.00 0.00 N ATOM 104 CA PRO A 8 -3.226 -17.937 -4.201 1.00 0.00 C ATOM 105 C PRO A 8 -4.016 -18.734 -3.168 1.00 0.00 C ATOM 106 O PRO A 8 -4.989 -18.240 -2.599 1.00 0.00 O ATOM 107 CB PRO A 8 -1.747 -17.875 -3.811 1.00 0.00 C ATOM 108 CG PRO A 8 -1.602 -16.588 -3.076 1.00 0.00 C ATOM 109 CD PRO A 8 -2.580 -15.637 -3.709 1.00 0.00 C ATOM 0 HA PRO A 8 -3.410 -18.440 -5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.467 -18.722 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.104 -17.903 -4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.815 -16.718 -2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.583 -16.208 -3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.984 -14.933 -2.982 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.114 -15.048 -4.499 1.00 0.00 H new ATOM 117 N LYS A 9 -3.591 -19.971 -2.931 1.00 0.00 N ATOM 118 CA LYS A 9 -4.257 -20.837 -1.966 1.00 0.00 C ATOM 119 C LYS A 9 -3.246 -21.714 -1.234 1.00 0.00 C ATOM 120 O LYS A 9 -2.147 -21.958 -1.731 1.00 0.00 O ATOM 121 CB LYS A 9 -5.295 -21.715 -2.668 1.00 0.00 C ATOM 122 CG LYS A 9 -4.786 -22.351 -3.950 1.00 0.00 C ATOM 123 CD LYS A 9 -5.505 -23.656 -4.248 1.00 0.00 C ATOM 124 CE LYS A 9 -6.724 -23.433 -5.129 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.066 -24.646 -5.922 1.00 0.00 N ATOM 0 H LYS A 9 -2.788 -20.396 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.760 -20.204 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.615 -22.501 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.174 -21.112 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.926 -21.659 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.715 -22.535 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.820 -24.346 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.812 -24.125 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.575 -23.154 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.536 -22.599 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.902 -24.453 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.264 -24.898 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.271 -25.436 -5.277 1.00 0.00 H new ATOM 139 N MET A 10 -3.626 -22.186 -0.051 1.00 0.00 N ATOM 140 CA MET A 10 -2.752 -23.039 0.748 1.00 0.00 C ATOM 141 C MET A 10 -3.533 -24.201 1.353 1.00 0.00 C ATOM 142 O MET A 10 -4.708 -24.061 1.692 1.00 0.00 O ATOM 143 CB MET A 10 -2.085 -22.224 1.857 1.00 0.00 C ATOM 144 CG MET A 10 -3.041 -21.300 2.593 1.00 0.00 C ATOM 145 SD MET A 10 -2.337 -20.641 4.116 1.00 0.00 S ATOM 146 CE MET A 10 -3.109 -21.705 5.333 1.00 0.00 C ATOM 0 H MET A 10 -4.532 -21.993 0.376 1.00 0.00 H new ATOM 0 HA MET A 10 -1.982 -23.445 0.092 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.629 -22.907 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.279 -21.630 1.425 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.318 -20.474 1.938 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.957 -21.843 2.826 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.872 -21.145 5.874 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.570 -22.556 4.832 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.355 -22.062 6.035 1.00 0.00 H new ATOM 156 N MET A 11 -2.872 -25.346 1.486 1.00 0.00 N ATOM 157 CA MET A 11 -3.505 -26.532 2.052 1.00 0.00 C ATOM 158 C MET A 11 -3.208 -26.647 3.544 1.00 0.00 C ATOM 159 O MET A 11 -2.106 -26.331 3.993 1.00 0.00 O ATOM 160 CB MET A 11 -3.023 -27.789 1.326 1.00 0.00 C ATOM 161 CG MET A 11 -4.026 -28.931 1.357 1.00 0.00 C ATOM 162 SD MET A 11 -3.536 -30.315 0.310 1.00 0.00 S ATOM 163 CE MET A 11 -3.617 -29.558 -1.311 1.00 0.00 C ATOM 0 H MET A 11 -1.899 -25.478 1.210 1.00 0.00 H new ATOM 0 HA MET A 11 -4.583 -26.436 1.920 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.803 -27.538 0.288 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.089 -28.124 1.778 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.142 -29.280 2.383 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.000 -28.563 1.034 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.389 -30.049 -1.904 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.857 -28.500 -1.207 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.654 -29.664 -1.811 1.00 0.00 H new ATOM 173 N ILE A 12 -4.197 -27.100 4.306 1.00 0.00 N ATOM 174 CA ILE A 12 -4.041 -27.257 5.747 1.00 0.00 C ATOM 175 C ILE A 12 -4.951 -28.357 6.283 1.00 0.00 C ATOM 176 O ILE A 12 -6.168 -28.311 6.105 1.00 0.00 O ATOM 177 CB ILE A 12 -4.347 -25.945 6.493 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.673 -25.355 6.009 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.215 -24.947 6.297 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.621 -24.998 7.132 1.00 0.00 C ATOM 0 H ILE A 12 -5.115 -27.365 3.950 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.001 -27.532 5.923 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.434 -26.162 7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.470 -24.462 5.418 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.160 -26.071 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.446 -24.025 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.288 -25.368 6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.099 -24.732 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.540 -24.586 6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.854 -25.893 7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.153 -24.258 7.782 1.00 0.00 H new ATOM 192 N ALA A 13 -4.352 -29.345 6.940 1.00 0.00 N ATOM 193 CA ALA A 13 -5.109 -30.455 7.505 1.00 0.00 C ATOM 194 C ALA A 13 -5.369 -30.242 8.992 1.00 0.00 C ATOM 195 O ALA A 13 -4.472 -29.850 9.740 1.00 0.00 O ATOM 196 CB ALA A 13 -4.370 -31.766 7.279 1.00 0.00 C ATOM 0 H ALA A 13 -3.345 -29.399 7.094 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.073 -30.501 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.946 -32.587 7.706 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.241 -31.931 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.393 -31.720 7.760 1.00 0.00 H new ATOM 202 N PHE A 14 -6.601 -30.501 9.416 1.00 0.00 N ATOM 203 CA PHE A 14 -6.980 -30.335 10.814 1.00 0.00 C ATOM 204 C PHE A 14 -7.647 -31.598 11.351 1.00 0.00 C ATOM 205 O PHE A 14 -8.471 -32.215 10.674 1.00 0.00 O ATOM 206 CB PHE A 14 -7.923 -29.141 10.971 1.00 0.00 C ATOM 207 CG PHE A 14 -9.365 -29.532 11.127 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.148 -29.800 10.016 1.00 0.00 C ATOM 209 CD2 PHE A 14 -9.937 -29.632 12.385 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.475 -30.161 10.156 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.263 -29.992 12.531 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.033 -30.256 11.415 1.00 0.00 C ATOM 0 H PHE A 14 -7.355 -30.827 8.811 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.073 -30.151 11.390 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.617 -28.558 11.840 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.823 -28.492 10.101 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.716 -29.726 9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.340 -29.426 13.261 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.074 -30.368 9.282 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.697 -30.067 13.517 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.070 -30.536 11.527 1.00 0.00 H new ATOM 222 N THR A 15 -7.284 -31.979 12.572 1.00 0.00 N ATOM 223 CA THR A 15 -7.844 -33.169 13.199 1.00 0.00 C ATOM 224 C THR A 15 -9.176 -32.860 13.873 1.00 0.00 C ATOM 225 O THR A 15 -9.221 -32.176 14.896 1.00 0.00 O ATOM 226 CB THR A 15 -6.879 -33.761 14.244 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.534 -33.701 13.757 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.245 -35.203 14.562 1.00 0.00 C ATOM 0 H THR A 15 -6.604 -31.480 13.146 1.00 0.00 H new ATOM 0 HA THR A 15 -8.001 -33.899 12.405 1.00 0.00 H new ATOM 0 HB THR A 15 -6.961 -33.172 15.158 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.926 -34.077 14.427 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.550 -35.600 15.302 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.259 -35.242 14.959 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.188 -35.802 13.653 1.00 0.00 H new ATOM 236 N CYS A 16 -10.259 -33.367 13.293 1.00 0.00 N ATOM 237 CA CYS A 16 -11.593 -33.145 13.838 1.00 0.00 C ATOM 238 C CYS A 16 -11.760 -33.858 15.176 1.00 0.00 C ATOM 239 O CYS A 16 -11.849 -35.085 15.231 1.00 0.00 O ATOM 240 CB CYS A 16 -12.657 -33.629 12.852 1.00 0.00 C ATOM 241 SG CYS A 16 -14.302 -32.935 13.141 1.00 0.00 S ATOM 0 H CYS A 16 -10.239 -33.934 12.446 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.718 -32.074 14.000 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.341 -33.377 11.840 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.719 -34.716 12.905 1.00 0.00 H new ATOM 246 N LYS A 17 -11.800 -33.082 16.254 1.00 0.00 N ATOM 247 CA LYS A 17 -11.956 -33.639 17.592 1.00 0.00 C ATOM 248 C LYS A 17 -13.370 -34.174 17.798 1.00 0.00 C ATOM 249 O LYS A 17 -13.648 -34.859 18.782 1.00 0.00 O ATOM 250 CB LYS A 17 -11.642 -32.577 18.648 1.00 0.00 C ATOM 251 CG LYS A 17 -10.411 -32.891 19.480 1.00 0.00 C ATOM 252 CD LYS A 17 -9.234 -32.014 19.086 1.00 0.00 C ATOM 253 CE LYS A 17 -9.361 -30.615 19.667 1.00 0.00 C ATOM 254 NZ LYS A 17 -9.084 -30.595 21.131 1.00 0.00 N ATOM 0 H LYS A 17 -11.726 -32.065 16.227 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.255 -34.467 17.698 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.500 -31.616 18.154 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.501 -32.471 19.311 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.637 -32.745 20.536 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.143 -33.940 19.354 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.307 -32.470 19.433 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.172 -31.953 17.999 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.668 -29.946 19.157 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.366 -30.235 19.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.980 -29.611 21.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.873 -31.043 21.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.206 -31.117 21.325 1.00 0.00 H new ATOM 268 N LYS A 18 -14.259 -33.857 16.863 1.00 0.00 N ATOM 269 CA LYS A 18 -15.644 -34.308 16.940 1.00 0.00 C ATOM 270 C LYS A 18 -15.743 -35.807 16.679 1.00 0.00 C ATOM 271 O LYS A 18 -16.275 -36.556 17.500 1.00 0.00 O ATOM 272 CB LYS A 18 -16.506 -33.546 15.931 1.00 0.00 C ATOM 273 CG LYS A 18 -16.356 -32.037 16.020 1.00 0.00 C ATOM 274 CD LYS A 18 -17.683 -31.330 15.796 1.00 0.00 C ATOM 275 CE LYS A 18 -17.876 -30.184 16.776 1.00 0.00 C ATOM 276 NZ LYS A 18 -16.845 -29.123 16.600 1.00 0.00 N ATOM 0 H LYS A 18 -14.045 -33.289 16.043 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.010 -34.107 17.947 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.244 -33.870 14.924 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.552 -33.809 16.088 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.960 -31.767 16.999 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.632 -31.698 15.279 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.726 -30.949 14.776 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.500 -32.044 15.904 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.868 -29.753 16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.832 -30.567 17.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.041 -28.337 17.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.904 -29.516 16.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.869 -28.775 15.620 1.00 0.00 H new ATOM 290 N CYS A 19 -15.228 -36.239 15.533 1.00 0.00 N ATOM 291 CA CYS A 19 -15.258 -37.650 15.165 1.00 0.00 C ATOM 292 C CYS A 19 -13.845 -38.200 15.001 1.00 0.00 C ATOM 293 O CYS A 19 -13.636 -39.214 14.336 1.00 0.00 O ATOM 294 CB CYS A 19 -16.048 -37.844 13.870 1.00 0.00 C ATOM 295 SG CYS A 19 -15.576 -36.712 12.541 1.00 0.00 S ATOM 0 H CYS A 19 -14.785 -35.633 14.843 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.750 -38.199 15.968 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.913 -38.869 13.525 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.110 -37.716 14.082 1.00 0.00 H new ATOM 300 N ASN A 20 -12.878 -37.522 15.610 1.00 0.00 N ATOM 301 CA ASN A 20 -11.483 -37.942 15.529 1.00 0.00 C ATOM 302 C ASN A 20 -11.084 -38.229 14.085 1.00 0.00 C ATOM 303 O ASN A 20 -10.285 -39.127 13.816 1.00 0.00 O ATOM 304 CB ASN A 20 -11.252 -39.184 16.391 1.00 0.00 C ATOM 305 CG ASN A 20 -9.831 -39.269 16.914 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.474 -38.602 17.885 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.012 -40.092 16.269 1.00 0.00 N ATOM 0 H ASN A 20 -13.034 -36.680 16.165 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.862 -37.128 15.903 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.946 -39.173 17.232 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.475 -40.076 15.805 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.044 -40.190 16.574 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.351 -40.626 15.469 1.00 0.00 H new ATOM 314 N THR A 21 -11.646 -37.460 13.157 1.00 0.00 N ATOM 315 CA THR A 21 -11.350 -37.632 11.741 1.00 0.00 C ATOM 316 C THR A 21 -10.488 -36.490 11.217 1.00 0.00 C ATOM 317 O THR A 21 -10.795 -35.317 11.434 1.00 0.00 O ATOM 318 CB THR A 21 -12.641 -37.712 10.903 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.460 -38.791 11.366 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.318 -37.910 9.430 1.00 0.00 C ATOM 0 H THR A 21 -12.309 -36.712 13.362 1.00 0.00 H new ATOM 0 HA THR A 21 -10.804 -38.570 11.644 1.00 0.00 H new ATOM 0 HB THR A 21 -13.181 -36.772 11.017 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.239 -38.431 11.839 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.245 -37.964 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.719 -37.072 9.073 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.758 -38.837 9.302 1.00 0.00 H new ATOM 328 N ARG A 22 -9.408 -36.839 10.525 1.00 0.00 N ATOM 329 CA ARG A 22 -8.500 -35.842 9.970 1.00 0.00 C ATOM 330 C ARG A 22 -8.672 -35.732 8.458 1.00 0.00 C ATOM 331 O ARG A 22 -8.933 -36.725 7.779 1.00 0.00 O ATOM 332 CB ARG A 22 -7.051 -36.198 10.305 1.00 0.00 C ATOM 333 CG ARG A 22 -6.137 -34.989 10.419 1.00 0.00 C ATOM 334 CD ARG A 22 -4.790 -35.363 11.018 1.00 0.00 C ATOM 335 NE ARG A 22 -3.705 -35.229 10.050 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.389 -36.169 9.166 1.00 0.00 C ATOM 337 NH1 ARG A 22 -4.073 -37.304 9.127 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.388 -35.974 8.317 1.00 0.00 N ATOM 0 H ARG A 22 -9.140 -37.805 10.335 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.742 -34.878 10.417 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.029 -36.749 11.245 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.663 -36.865 9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.988 -34.550 9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.613 -34.229 11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.587 -34.727 11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.827 -36.390 11.381 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.160 -34.367 10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.844 -37.457 9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.828 -38.024 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.860 -35.102 8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.146 -36.697 7.639 1.00 0.00 H new ATOM 352 N SER A 23 -8.525 -34.517 7.938 1.00 0.00 N ATOM 353 CA SER A 23 -8.668 -34.276 6.507 1.00 0.00 C ATOM 354 C SER A 23 -7.949 -32.995 6.097 1.00 0.00 C ATOM 355 O SER A 23 -7.769 -32.085 6.906 1.00 0.00 O ATOM 356 CB SER A 23 -10.148 -34.187 6.129 1.00 0.00 C ATOM 357 OG SER A 23 -10.856 -33.355 7.032 1.00 0.00 O ATOM 0 H SER A 23 -8.307 -33.685 8.486 1.00 0.00 H new ATOM 0 HA SER A 23 -8.214 -35.112 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.245 -33.795 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.587 -35.185 6.128 1.00 0.00 H new ATOM 0 HG SER A 23 -10.315 -32.565 7.242 1.00 0.00 H new ATOM 363 N SER A 24 -7.539 -32.932 4.834 1.00 0.00 N ATOM 364 CA SER A 24 -6.835 -31.765 4.316 1.00 0.00 C ATOM 365 C SER A 24 -7.785 -30.859 3.539 1.00 0.00 C ATOM 366 O SER A 24 -8.708 -31.331 2.875 1.00 0.00 O ATOM 367 CB SER A 24 -5.676 -32.199 3.417 1.00 0.00 C ATOM 368 OG SER A 24 -5.861 -33.525 2.951 1.00 0.00 O ATOM 0 H SER A 24 -7.682 -33.676 4.151 1.00 0.00 H new ATOM 0 HA SER A 24 -6.438 -31.205 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.596 -31.520 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.738 -32.132 3.969 1.00 0.00 H new ATOM 0 HG SER A 24 -5.108 -33.778 2.377 1.00 0.00 H new ATOM 374 N HIS A 25 -7.552 -29.553 3.627 1.00 0.00 N ATOM 375 CA HIS A 25 -8.386 -28.579 2.932 1.00 0.00 C ATOM 376 C HIS A 25 -7.541 -27.430 2.389 1.00 0.00 C ATOM 377 O HIS A 25 -6.657 -26.916 3.076 1.00 0.00 O ATOM 378 CB HIS A 25 -9.463 -28.036 3.872 1.00 0.00 C ATOM 379 CG HIS A 25 -9.990 -29.056 4.832 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.148 -29.772 4.610 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.510 -29.482 6.024 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.358 -30.592 5.624 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.378 -30.436 6.496 1.00 0.00 N ATOM 0 H HIS A 25 -6.793 -29.145 4.173 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.867 -29.081 2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.053 -27.197 4.435 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.290 -27.647 3.278 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.749 -29.682 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.611 -29.136 6.513 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.189 -31.274 5.723 1.00 0.00 H new ATOM 391 N THR A 26 -7.818 -27.031 1.152 1.00 0.00 N ATOM 392 CA THR A 26 -7.084 -25.945 0.516 1.00 0.00 C ATOM 393 C THR A 26 -7.970 -24.720 0.324 1.00 0.00 C ATOM 394 O THR A 26 -9.021 -24.796 -0.313 1.00 0.00 O ATOM 395 CB THR A 26 -6.518 -26.375 -0.851 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.175 -27.765 -0.825 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.291 -25.551 -1.212 1.00 0.00 C ATOM 0 H THR A 26 -8.547 -27.445 0.570 1.00 0.00 H new ATOM 0 HA THR A 26 -6.258 -25.691 1.180 1.00 0.00 H new ATOM 0 HB THR A 26 -7.285 -26.205 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.570 -28.214 -1.601 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.909 -25.873 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.562 -24.496 -1.261 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.521 -25.693 -0.453 1.00 0.00 H new ATOM 405 N MET A 27 -7.539 -23.591 0.877 1.00 0.00 N ATOM 406 CA MET A 27 -8.294 -22.349 0.765 1.00 0.00 C ATOM 407 C MET A 27 -7.365 -21.171 0.492 1.00 0.00 C ATOM 408 O MET A 27 -6.154 -21.264 0.693 1.00 0.00 O ATOM 409 CB MET A 27 -9.095 -22.096 2.044 1.00 0.00 C ATOM 410 CG MET A 27 -8.228 -21.762 3.247 1.00 0.00 C ATOM 411 SD MET A 27 -7.582 -23.232 4.067 1.00 0.00 S ATOM 412 CE MET A 27 -9.085 -23.925 4.753 1.00 0.00 C ATOM 0 H MET A 27 -6.671 -23.511 1.407 1.00 0.00 H new ATOM 0 HA MET A 27 -8.984 -22.447 -0.073 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.792 -21.277 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.692 -22.980 2.270 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.396 -21.134 2.927 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.812 -21.180 3.960 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.833 -24.623 5.551 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.705 -23.123 5.155 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.633 -24.450 3.971 1.00 0.00 H new ATOM 422 N SER A 28 -7.939 -20.064 0.032 1.00 0.00 N ATOM 423 CA SER A 28 -7.161 -18.869 -0.273 1.00 0.00 C ATOM 424 C SER A 28 -6.420 -18.373 0.965 1.00 0.00 C ATOM 425 O SER A 28 -7.026 -18.116 2.006 1.00 0.00 O ATOM 426 CB SER A 28 -8.072 -17.764 -0.812 1.00 0.00 C ATOM 427 OG SER A 28 -9.348 -17.811 -0.197 1.00 0.00 O ATOM 0 H SER A 28 -8.940 -19.970 -0.138 1.00 0.00 H new ATOM 0 HA SER A 28 -6.427 -19.129 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.614 -16.791 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.181 -17.872 -1.891 1.00 0.00 H new ATOM 0 HG SER A 28 -9.911 -17.094 -0.557 1.00 0.00 H new ATOM 433 N LYS A 29 -5.103 -18.240 0.845 1.00 0.00 N ATOM 434 CA LYS A 29 -4.276 -17.774 1.952 1.00 0.00 C ATOM 435 C LYS A 29 -4.687 -16.370 2.384 1.00 0.00 C ATOM 436 O LYS A 29 -4.605 -16.025 3.563 1.00 0.00 O ATOM 437 CB LYS A 29 -2.799 -17.785 1.553 1.00 0.00 C ATOM 438 CG LYS A 29 -2.424 -16.679 0.582 1.00 0.00 C ATOM 439 CD LYS A 29 -1.934 -15.439 1.311 1.00 0.00 C ATOM 440 CE LYS A 29 -0.419 -15.431 1.443 1.00 0.00 C ATOM 441 NZ LYS A 29 0.043 -14.472 2.484 1.00 0.00 N ATOM 0 H LYS A 29 -4.585 -18.449 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.423 -18.452 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.188 -17.692 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.560 -18.749 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.647 -17.035 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.288 -16.424 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.258 -14.548 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.387 -15.396 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.071 -16.433 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.028 -15.169 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.081 -14.497 2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.267 -13.511 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.362 -14.737 3.404 1.00 0.00 H new ATOM 455 N GLN A 30 -5.129 -15.565 1.423 1.00 0.00 N ATOM 456 CA GLN A 30 -5.553 -14.199 1.706 1.00 0.00 C ATOM 457 C GLN A 30 -6.852 -14.186 2.505 1.00 0.00 C ATOM 458 O GLN A 30 -7.004 -13.410 3.447 1.00 0.00 O ATOM 459 CB GLN A 30 -5.734 -13.419 0.402 1.00 0.00 C ATOM 460 CG GLN A 30 -5.448 -11.932 0.539 1.00 0.00 C ATOM 461 CD GLN A 30 -6.712 -11.095 0.569 1.00 0.00 C ATOM 462 OE1 GLN A 30 -7.456 -11.037 -0.410 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.962 -10.442 1.698 1.00 0.00 N ATOM 0 H GLN A 30 -5.203 -15.835 0.442 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.777 -13.721 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.075 -13.839 -0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.756 -13.553 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.880 -11.758 1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.822 -11.608 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.318 -10.519 2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.798 -9.864 1.778 1.00 0.00 H new ATOM 472 N ALA A 31 -7.785 -15.052 2.122 1.00 0.00 N ATOM 473 CA ALA A 31 -9.070 -15.141 2.804 1.00 0.00 C ATOM 474 C ALA A 31 -8.922 -15.805 4.169 1.00 0.00 C ATOM 475 O ALA A 31 -9.640 -15.472 5.112 1.00 0.00 O ATOM 476 CB ALA A 31 -10.069 -15.905 1.949 1.00 0.00 C ATOM 0 H ALA A 31 -7.675 -15.702 1.343 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.442 -14.128 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.024 -15.964 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.205 -15.388 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.694 -16.912 1.764 1.00 0.00 H new ATOM 482 N TYR A 32 -7.988 -16.744 4.267 1.00 0.00 N ATOM 483 CA TYR A 32 -7.749 -17.457 5.516 1.00 0.00 C ATOM 484 C TYR A 32 -6.976 -16.585 6.501 1.00 0.00 C ATOM 485 O TYR A 32 -7.345 -16.474 7.670 1.00 0.00 O ATOM 486 CB TYR A 32 -6.978 -18.751 5.249 1.00 0.00 C ATOM 487 CG TYR A 32 -6.459 -19.416 6.504 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.221 -19.074 7.034 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.207 -20.387 7.159 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.743 -19.680 8.180 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.737 -20.996 8.307 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.504 -20.640 8.813 1.00 0.00 C ATOM 493 OH TYR A 32 -5.032 -21.246 9.954 1.00 0.00 O ATOM 0 H TYR A 32 -7.384 -17.029 3.496 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.716 -17.702 5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.627 -19.449 4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.138 -18.534 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.622 -18.322 6.542 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.172 -20.670 6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.778 -19.403 8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.332 -21.747 8.806 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.690 -21.897 10.275 1.00 0.00 H new ATOM 503 N GLU A 33 -5.902 -15.968 6.018 1.00 0.00 N ATOM 504 CA GLU A 33 -5.076 -15.106 6.856 1.00 0.00 C ATOM 505 C GLU A 33 -5.757 -13.760 7.088 1.00 0.00 C ATOM 506 O GLU A 33 -5.488 -13.077 8.077 1.00 0.00 O ATOM 507 CB GLU A 33 -3.705 -14.892 6.211 1.00 0.00 C ATOM 508 CG GLU A 33 -2.829 -16.133 6.220 1.00 0.00 C ATOM 509 CD GLU A 33 -1.355 -15.807 6.076 1.00 0.00 C ATOM 510 OE1 GLU A 33 -1.035 -14.655 5.716 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.521 -16.703 6.323 1.00 0.00 O ATOM 0 H GLU A 33 -5.584 -16.049 5.052 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.943 -15.598 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.844 -14.563 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.188 -14.088 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.988 -16.678 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.132 -16.793 5.408 1.00 0.00 H new ATOM 518 N LYS A 34 -6.639 -13.383 6.169 1.00 0.00 N ATOM 519 CA LYS A 34 -7.360 -12.120 6.272 1.00 0.00 C ATOM 520 C LYS A 34 -8.792 -12.268 5.770 1.00 0.00 C ATOM 521 O LYS A 34 -9.142 -11.767 4.702 1.00 0.00 O ATOM 522 CB LYS A 34 -6.639 -11.031 5.473 1.00 0.00 C ATOM 523 CG LYS A 34 -5.126 -11.166 5.489 1.00 0.00 C ATOM 524 CD LYS A 34 -4.444 -9.834 5.225 1.00 0.00 C ATOM 525 CE LYS A 34 -3.221 -10.001 4.337 1.00 0.00 C ATOM 526 NZ LYS A 34 -2.051 -9.239 4.856 1.00 0.00 N ATOM 0 H LYS A 34 -6.872 -13.935 5.343 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.390 -11.833 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.987 -11.059 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.913 -10.056 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.805 -11.555 6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.816 -11.890 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.149 -9.151 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.149 -9.381 6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.964 -11.058 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.456 -9.663 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.238 -9.378 4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.287 -8.227 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.810 -9.579 5.809 1.00 0.00 H new ATOM 540 N GLY A 35 -9.619 -12.959 6.550 1.00 0.00 N ATOM 541 CA GLY A 35 -11.005 -13.159 6.168 1.00 0.00 C ATOM 542 C GLY A 35 -11.614 -14.386 6.818 1.00 0.00 C ATOM 543 O GLY A 35 -11.010 -14.994 7.703 1.00 0.00 O ATOM 0 H GLY A 35 -9.354 -13.383 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.586 -12.279 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.070 -13.256 5.084 1.00 0.00 H new ATOM 547 N THR A 36 -12.815 -14.751 6.381 1.00 0.00 N ATOM 548 CA THR A 36 -13.508 -15.910 6.928 1.00 0.00 C ATOM 549 C THR A 36 -13.310 -17.136 6.044 1.00 0.00 C ATOM 550 O THR A 36 -13.388 -17.050 4.819 1.00 0.00 O ATOM 551 CB THR A 36 -15.017 -15.642 7.084 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.245 -14.246 7.309 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.593 -16.448 8.238 1.00 0.00 C ATOM 0 H THR A 36 -13.328 -14.260 5.649 1.00 0.00 H new ATOM 0 HA THR A 36 -13.077 -16.100 7.911 1.00 0.00 H new ATOM 0 HB THR A 36 -15.516 -15.948 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.922 -14.001 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.660 -16.242 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.443 -17.511 8.050 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.090 -16.169 9.164 1.00 0.00 H new ATOM 561 N VAL A 37 -13.055 -18.279 6.674 1.00 0.00 N ATOM 562 CA VAL A 37 -12.848 -19.524 5.944 1.00 0.00 C ATOM 563 C VAL A 37 -13.509 -20.697 6.659 1.00 0.00 C ATOM 564 O VAL A 37 -13.304 -20.904 7.855 1.00 0.00 O ATOM 565 CB VAL A 37 -11.348 -19.826 5.764 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.738 -18.903 4.720 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.617 -19.700 7.092 1.00 0.00 C ATOM 0 H VAL A 37 -12.987 -18.368 7.688 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.306 -19.396 4.963 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.241 -20.852 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.678 -19.132 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.244 -19.048 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.854 -17.867 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.559 -19.917 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.731 -18.686 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.037 -20.407 7.807 1.00 0.00 H new ATOM 577 N LEU A 38 -14.304 -21.461 5.918 1.00 0.00 N ATOM 578 CA LEU A 38 -14.997 -22.615 6.481 1.00 0.00 C ATOM 579 C LEU A 38 -14.622 -23.892 5.735 1.00 0.00 C ATOM 580 O LEU A 38 -14.575 -23.913 4.505 1.00 0.00 O ATOM 581 CB LEU A 38 -16.511 -22.404 6.424 1.00 0.00 C ATOM 582 CG LEU A 38 -17.090 -21.427 7.448 1.00 0.00 C ATOM 583 CD1 LEU A 38 -16.691 -19.999 7.109 1.00 0.00 C ATOM 584 CD2 LEU A 38 -18.605 -21.558 7.512 1.00 0.00 C ATOM 0 H LEU A 38 -14.485 -21.303 4.927 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.690 -22.720 7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.771 -22.051 5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.998 -23.370 6.557 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.682 -21.673 8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.112 -19.318 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.604 -19.914 7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.070 -19.740 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.000 -20.855 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.031 -21.338 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.870 -22.574 7.803 1.00 0.00 H new ATOM 596 N ILE A 39 -14.359 -24.955 6.488 1.00 0.00 N ATOM 597 CA ILE A 39 -13.992 -26.237 5.898 1.00 0.00 C ATOM 598 C ILE A 39 -14.899 -27.354 6.403 1.00 0.00 C ATOM 599 O ILE A 39 -15.209 -27.426 7.592 1.00 0.00 O ATOM 600 CB ILE A 39 -12.528 -26.600 6.206 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.208 -26.317 7.676 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.587 -25.826 5.295 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.084 -27.168 8.225 1.00 0.00 C ATOM 0 H ILE A 39 -14.393 -24.954 7.507 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.112 -26.134 4.820 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.387 -27.665 6.021 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.943 -25.265 7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.104 -26.484 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.556 -26.094 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.802 -26.073 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.728 -24.756 5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.912 -26.913 9.271 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.354 -28.221 8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.175 -26.983 7.653 1.00 0.00 H new ATOM 615 N SER A 40 -15.319 -28.225 5.491 1.00 0.00 N ATOM 616 CA SER A 40 -16.192 -29.339 5.843 1.00 0.00 C ATOM 617 C SER A 40 -15.380 -30.602 6.112 1.00 0.00 C ATOM 618 O SER A 40 -14.416 -30.895 5.404 1.00 0.00 O ATOM 619 CB SER A 40 -17.202 -29.597 4.724 1.00 0.00 C ATOM 620 OG SER A 40 -17.951 -30.774 4.973 1.00 0.00 O ATOM 0 H SER A 40 -15.069 -28.181 4.503 1.00 0.00 H new ATOM 0 HA SER A 40 -16.729 -29.073 6.753 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.876 -28.745 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.679 -29.690 3.772 1.00 0.00 H new ATOM 0 HG SER A 40 -18.590 -30.915 4.244 1.00 0.00 H new ATOM 626 N CYS A 41 -15.776 -31.345 7.139 1.00 0.00 N ATOM 627 CA CYS A 41 -15.085 -32.577 7.503 1.00 0.00 C ATOM 628 C CYS A 41 -15.747 -33.785 6.849 1.00 0.00 C ATOM 629 O CYS A 41 -16.918 -34.084 7.081 1.00 0.00 O ATOM 630 CB CYS A 41 -15.071 -32.748 9.023 1.00 0.00 C ATOM 631 SG CYS A 41 -14.423 -34.342 9.580 1.00 0.00 S ATOM 0 H CYS A 41 -16.572 -31.116 7.735 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.058 -32.509 7.143 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.472 -31.951 9.462 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.086 -32.628 9.401 1.00 0.00 H new ATOM 636 N PRO A 42 -14.980 -34.497 6.009 1.00 0.00 N ATOM 637 CA PRO A 42 -15.472 -35.684 5.303 1.00 0.00 C ATOM 638 C PRO A 42 -15.707 -36.862 6.242 1.00 0.00 C ATOM 639 O PRO A 42 -15.032 -37.887 6.151 1.00 0.00 O ATOM 640 CB PRO A 42 -14.344 -36.003 4.318 1.00 0.00 C ATOM 641 CG PRO A 42 -13.121 -35.425 4.943 1.00 0.00 C ATOM 642 CD PRO A 42 -13.575 -34.199 5.685 1.00 0.00 C ATOM 0 HA PRO A 42 -16.436 -35.504 4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.242 -37.078 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.535 -35.561 3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.654 -36.140 5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.379 -35.171 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.982 -34.031 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.485 -33.302 5.072 1.00 0.00 H new ATOM 650 N HIS A 43 -16.671 -36.709 7.146 1.00 0.00 N ATOM 651 CA HIS A 43 -16.996 -37.761 8.102 1.00 0.00 C ATOM 652 C HIS A 43 -18.258 -37.412 8.885 1.00 0.00 C ATOM 653 O HIS A 43 -19.070 -38.285 9.193 1.00 0.00 O ATOM 654 CB HIS A 43 -15.829 -37.983 9.065 1.00 0.00 C ATOM 655 CG HIS A 43 -15.907 -39.278 9.812 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.319 -40.442 9.364 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.508 -39.590 10.984 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.556 -41.414 10.227 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.275 -40.922 11.220 1.00 0.00 N ATOM 0 H HIS A 43 -17.240 -35.867 7.236 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.177 -38.680 7.545 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.895 -37.952 8.504 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.798 -37.162 9.781 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.067 -38.916 11.616 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.219 -42.436 10.136 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.604 -41.447 12.031 1.00 0.00 H new ATOM 667 N CYS A 44 -18.416 -36.132 9.204 1.00 0.00 N ATOM 668 CA CYS A 44 -19.578 -35.668 9.953 1.00 0.00 C ATOM 669 C CYS A 44 -20.360 -34.630 9.155 1.00 0.00 C ATOM 670 O CYS A 44 -21.210 -33.924 9.698 1.00 0.00 O ATOM 671 CB CYS A 44 -19.144 -35.077 11.295 1.00 0.00 C ATOM 672 SG CYS A 44 -17.646 -34.069 11.207 1.00 0.00 S ATOM 0 H CYS A 44 -17.754 -35.397 8.955 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.227 -36.524 10.135 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.956 -34.468 11.691 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.981 -35.890 12.002 1.00 0.00 H new ATOM 677 N LYS A 45 -20.065 -34.540 7.863 1.00 0.00 N ATOM 678 CA LYS A 45 -20.739 -33.587 6.988 1.00 0.00 C ATOM 679 C LYS A 45 -21.095 -32.312 7.745 1.00 0.00 C ATOM 680 O LYS A 45 -22.270 -31.978 7.902 1.00 0.00 O ATOM 681 CB LYS A 45 -22.004 -34.213 6.397 1.00 0.00 C ATOM 682 CG LYS A 45 -22.976 -34.725 7.446 1.00 0.00 C ATOM 683 CD LYS A 45 -22.685 -36.169 7.818 1.00 0.00 C ATOM 684 CE LYS A 45 -23.043 -36.454 9.269 1.00 0.00 C ATOM 685 NZ LYS A 45 -23.023 -37.913 9.568 1.00 0.00 N ATOM 0 H LYS A 45 -19.363 -35.116 7.398 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.057 -33.329 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.509 -33.473 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.720 -35.038 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.914 -34.099 8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.996 -34.644 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.250 -36.835 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.629 -36.382 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.341 -35.939 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.033 -36.052 9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.272 -38.066 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.711 -38.401 8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.071 -38.292 9.387 1.00 0.00 H new ATOM 699 N VAL A 46 -20.073 -31.601 8.211 1.00 0.00 N ATOM 700 CA VAL A 46 -20.279 -30.360 8.949 1.00 0.00 C ATOM 701 C VAL A 46 -19.087 -29.423 8.791 1.00 0.00 C ATOM 702 O VAL A 46 -17.935 -29.845 8.890 1.00 0.00 O ATOM 703 CB VAL A 46 -20.510 -30.630 10.448 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.222 -31.090 11.113 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.061 -29.389 11.134 1.00 0.00 C ATOM 0 H VAL A 46 -19.095 -31.863 8.091 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.168 -29.887 8.531 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.246 -31.428 10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.405 -31.276 12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.875 -32.008 10.638 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.461 -30.317 11.007 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.218 -29.598 12.192 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.351 -28.569 11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.009 -29.110 10.674 1.00 0.00 H new ATOM 715 N ARG A 47 -19.372 -28.148 8.546 1.00 0.00 N ATOM 716 CA ARG A 47 -18.323 -27.150 8.374 1.00 0.00 C ATOM 717 C ARG A 47 -17.942 -26.526 9.713 1.00 0.00 C ATOM 718 O ARG A 47 -18.754 -26.468 10.637 1.00 0.00 O ATOM 719 CB ARG A 47 -18.782 -26.060 7.403 1.00 0.00 C ATOM 720 CG ARG A 47 -19.371 -26.603 6.112 1.00 0.00 C ATOM 721 CD ARG A 47 -19.160 -25.640 4.954 1.00 0.00 C ATOM 722 NE ARG A 47 -20.410 -25.025 4.518 1.00 0.00 N ATOM 723 CZ ARG A 47 -21.231 -25.578 3.632 1.00 0.00 C ATOM 724 NH1 ARG A 47 -20.936 -26.752 3.092 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.352 -24.956 3.286 1.00 0.00 N ATOM 0 H ARG A 47 -20.320 -27.782 8.462 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.445 -27.648 7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.526 -25.435 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.934 -25.418 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.911 -27.563 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.437 -26.785 6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.458 -24.861 5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.707 -26.173 4.118 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.667 -24.121 4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -20.077 -27.233 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -21.568 -27.174 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.583 -24.053 3.701 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.982 -25.381 2.606 1.00 0.00 H new ATOM 739 N HIS A 48 -16.700 -26.060 9.811 1.00 0.00 N ATOM 740 CA HIS A 48 -16.211 -25.440 11.037 1.00 0.00 C ATOM 741 C HIS A 48 -15.371 -24.205 10.723 1.00 0.00 C ATOM 742 O HIS A 48 -14.739 -24.122 9.669 1.00 0.00 O ATOM 743 CB HIS A 48 -15.384 -26.441 11.845 1.00 0.00 C ATOM 744 CG HIS A 48 -15.289 -27.792 11.206 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.114 -28.844 11.544 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.460 -28.261 10.244 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.796 -29.901 10.819 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.796 -29.574 10.022 1.00 0.00 N ATOM 0 H HIS A 48 -16.015 -26.100 9.056 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.073 -25.131 11.628 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.379 -26.042 11.983 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.824 -26.547 12.837 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -16.854 -28.811 12.245 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.680 -27.706 9.744 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.273 -30.869 10.870 1.00 0.00 H new ATOM 756 N LEU A 49 -15.370 -23.247 11.644 1.00 0.00 N ATOM 757 CA LEU A 49 -14.609 -22.015 11.465 1.00 0.00 C ATOM 758 C LEU A 49 -13.152 -22.212 11.871 1.00 0.00 C ATOM 759 O LEU A 49 -12.863 -22.791 12.919 1.00 0.00 O ATOM 760 CB LEU A 49 -15.232 -20.885 12.286 1.00 0.00 C ATOM 761 CG LEU A 49 -14.925 -19.464 11.813 1.00 0.00 C ATOM 762 CD1 LEU A 49 -15.270 -19.306 10.340 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.683 -18.446 12.653 1.00 0.00 C ATOM 0 H LEU A 49 -15.887 -23.300 12.522 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.639 -21.747 10.409 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.314 -21.019 12.290 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.895 -20.984 13.318 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.857 -19.283 11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.045 -18.288 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.682 -20.010 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.331 -19.507 10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.452 -17.440 12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.754 -18.625 12.562 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.386 -18.543 13.697 1.00 0.00 H new ATOM 775 N ILE A 50 -12.240 -21.724 11.037 1.00 0.00 N ATOM 776 CA ILE A 50 -10.814 -21.844 11.312 1.00 0.00 C ATOM 777 C ILE A 50 -10.184 -20.476 11.554 1.00 0.00 C ATOM 778 O ILE A 50 -9.509 -20.262 12.560 1.00 0.00 O ATOM 779 CB ILE A 50 -10.074 -22.539 10.153 1.00 0.00 C ATOM 780 CG1 ILE A 50 -10.981 -22.636 8.925 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.600 -23.920 10.580 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.301 -23.243 7.718 1.00 0.00 C ATOM 0 H ILE A 50 -12.463 -21.242 10.166 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.716 -22.451 12.212 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.201 -21.943 9.889 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.857 -23.233 9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.338 -21.639 8.668 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.079 -24.398 9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.922 -23.826 11.428 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.459 -24.527 10.867 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.003 -23.280 6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.441 -22.634 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.968 -24.253 7.957 1.00 0.00 H new ATOM 794 N ALA A 51 -10.412 -19.553 10.626 1.00 0.00 N ATOM 795 CA ALA A 51 -9.871 -18.204 10.740 1.00 0.00 C ATOM 796 C ALA A 51 -10.975 -17.158 10.633 1.00 0.00 C ATOM 797 O ALA A 51 -11.457 -16.861 9.540 1.00 0.00 O ATOM 798 CB ALA A 51 -8.812 -17.968 9.673 1.00 0.00 C ATOM 0 H ALA A 51 -10.968 -19.715 9.786 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.409 -18.107 11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.417 -16.957 9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.003 -18.687 9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.257 -18.090 8.685 1.00 0.00 H new ATOM 804 N ASP A 52 -11.373 -16.605 11.774 1.00 0.00 N ATOM 805 CA ASP A 52 -12.421 -15.592 11.807 1.00 0.00 C ATOM 806 C ASP A 52 -11.822 -14.189 11.764 1.00 0.00 C ATOM 807 O ASP A 52 -11.160 -13.755 12.707 1.00 0.00 O ATOM 808 CB ASP A 52 -13.277 -15.755 13.064 1.00 0.00 C ATOM 809 CG ASP A 52 -12.443 -16.006 14.305 1.00 0.00 C ATOM 810 OD1 ASP A 52 -11.953 -15.024 14.898 1.00 0.00 O ATOM 811 OD2 ASP A 52 -12.280 -17.186 14.682 1.00 0.00 O ATOM 0 H ASP A 52 -10.986 -16.841 12.688 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.050 -15.727 10.927 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.878 -14.857 13.209 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.971 -16.584 12.922 1.00 0.00 H new ATOM 816 N HIS A 53 -12.058 -13.484 10.662 1.00 0.00 N ATOM 817 CA HIS A 53 -11.542 -12.131 10.495 1.00 0.00 C ATOM 818 C HIS A 53 -12.672 -11.151 10.195 1.00 0.00 C ATOM 819 O HIS A 53 -12.642 -10.000 10.631 1.00 0.00 O ATOM 820 CB HIS A 53 -10.506 -12.092 9.370 1.00 0.00 C ATOM 821 CG HIS A 53 -9.091 -12.056 9.860 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.453 -10.892 10.234 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.190 -13.051 10.039 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.221 -11.172 10.619 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.036 -12.475 10.510 1.00 0.00 N ATOM 0 H HIS A 53 -12.603 -13.828 9.872 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.065 -11.834 11.429 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.639 -12.967 8.734 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.689 -11.215 8.749 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.349 -14.102 9.847 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.489 -10.457 10.964 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.176 -12.973 10.739 1.00 0.00 H new ATOM 833 N LEU A 54 -13.667 -11.615 9.447 1.00 0.00 N ATOM 834 CA LEU A 54 -14.808 -10.780 9.088 1.00 0.00 C ATOM 835 C LEU A 54 -15.880 -10.826 10.172 1.00 0.00 C ATOM 836 O LEU A 54 -16.849 -10.068 10.135 1.00 0.00 O ATOM 837 CB LEU A 54 -15.398 -11.234 7.751 1.00 0.00 C ATOM 838 CG LEU A 54 -14.391 -11.522 6.637 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.111 -11.815 5.330 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.432 -10.353 6.469 1.00 0.00 C ATOM 0 H LEU A 54 -13.707 -12.565 9.077 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.458 -9.752 8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.986 -12.135 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.087 -10.465 7.401 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.813 -12.403 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.379 -12.018 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.756 -12.684 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.715 -10.953 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.723 -10.576 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.994 -9.455 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.891 -10.189 7.401 1.00 0.00 H new ATOM 852 N LYS A 55 -15.699 -11.721 11.137 1.00 0.00 N ATOM 853 CA LYS A 55 -16.648 -11.865 12.235 1.00 0.00 C ATOM 854 C LYS A 55 -18.081 -11.892 11.715 1.00 0.00 C ATOM 855 O LYS A 55 -18.933 -11.130 12.175 1.00 0.00 O ATOM 856 CB LYS A 55 -16.479 -10.721 13.237 1.00 0.00 C ATOM 857 CG LYS A 55 -15.199 -10.808 14.049 1.00 0.00 C ATOM 858 CD LYS A 55 -14.911 -9.506 14.779 1.00 0.00 C ATOM 859 CE LYS A 55 -15.858 -9.304 15.952 1.00 0.00 C ATOM 860 NZ LYS A 55 -15.816 -7.906 16.464 1.00 0.00 N ATOM 0 H LYS A 55 -14.904 -12.358 11.181 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.444 -12.811 12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.494 -9.773 12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.331 -10.716 13.917 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.280 -11.621 14.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.365 -11.049 13.390 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.882 -9.508 15.137 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.005 -8.670 14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.875 -9.548 15.644 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.594 -9.993 16.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.475 -7.809 17.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.851 -7.681 16.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.092 -7.250 15.706 1.00 0.00 H new ATOM 874 N ILE A 56 -18.341 -12.773 10.755 1.00 0.00 N ATOM 875 CA ILE A 56 -19.673 -12.899 10.175 1.00 0.00 C ATOM 876 C ILE A 56 -20.616 -13.635 11.120 1.00 0.00 C ATOM 877 O ILE A 56 -21.715 -13.161 11.411 1.00 0.00 O ATOM 878 CB ILE A 56 -19.631 -13.644 8.827 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.511 -13.087 7.947 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.973 -13.533 8.119 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.336 -13.838 6.645 1.00 0.00 C ATOM 0 H ILE A 56 -17.648 -13.410 10.362 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.043 -11.887 10.011 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.428 -14.698 9.017 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.719 -12.040 7.728 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.574 -13.117 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.928 -14.064 7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.751 -13.972 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.203 -12.483 7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.525 -13.389 6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -18.097 -14.880 6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.260 -13.787 6.068 1.00 0.00 H new ATOM 893 N PHE A 57 -20.180 -14.795 11.599 1.00 0.00 N ATOM 894 CA PHE A 57 -20.985 -15.597 12.513 1.00 0.00 C ATOM 895 C PHE A 57 -20.862 -15.079 13.943 1.00 0.00 C ATOM 896 O PHE A 57 -21.554 -15.549 14.847 1.00 0.00 O ATOM 897 CB PHE A 57 -20.557 -17.064 12.451 1.00 0.00 C ATOM 898 CG PHE A 57 -20.242 -17.539 11.061 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.233 -17.598 10.094 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.956 -17.925 10.721 1.00 0.00 C ATOM 901 CE1 PHE A 57 -20.946 -18.034 8.814 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.663 -18.362 9.443 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.660 -18.416 8.488 1.00 0.00 C ATOM 0 H PHE A 57 -19.273 -15.201 11.369 1.00 0.00 H new ATOM 0 HA PHE A 57 -22.027 -15.517 12.205 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.679 -17.205 13.082 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -21.351 -17.684 12.867 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.241 -17.300 10.343 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.173 -17.884 11.463 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.727 -18.076 8.069 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.656 -18.661 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.434 -18.756 7.488 1.00 0.00 H new ATOM 913 N HIS A 58 -19.975 -14.109 14.141 1.00 0.00 N ATOM 914 CA HIS A 58 -19.759 -13.527 15.461 1.00 0.00 C ATOM 915 C HIS A 58 -21.061 -12.967 16.026 1.00 0.00 C ATOM 916 O HIS A 58 -21.309 -13.043 17.230 1.00 0.00 O ATOM 917 CB HIS A 58 -18.704 -12.423 15.388 1.00 0.00 C ATOM 918 CG HIS A 58 -18.159 -12.028 16.726 1.00 0.00 C ATOM 919 ND1 HIS A 58 -16.915 -12.416 17.176 1.00 0.00 N ATOM 920 CD2 HIS A 58 -18.695 -11.272 17.713 1.00 0.00 C ATOM 921 CE1 HIS A 58 -16.710 -11.918 18.383 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.775 -11.219 18.731 1.00 0.00 N ATOM 0 H HIS A 58 -19.394 -13.709 13.404 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.404 -14.315 16.126 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.883 -12.758 14.754 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -19.140 -11.546 14.909 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -19.666 -10.799 17.702 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -15.823 -12.059 18.982 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -17.895 -10.721 19.613 1.00 0.00 H new ATOM 930 N ASP A 59 -21.887 -12.405 15.151 1.00 0.00 N ATOM 931 CA ASP A 59 -23.163 -11.833 15.563 1.00 0.00 C ATOM 932 C ASP A 59 -24.259 -12.894 15.568 1.00 0.00 C ATOM 933 O ASP A 59 -25.436 -12.586 15.760 1.00 0.00 O ATOM 934 CB ASP A 59 -23.554 -10.682 14.634 1.00 0.00 C ATOM 935 CG ASP A 59 -22.348 -9.971 14.053 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.724 -10.525 13.124 1.00 0.00 O ATOM 937 OD2 ASP A 59 -22.026 -8.862 14.529 1.00 0.00 O ATOM 0 H ASP A 59 -21.696 -12.333 14.152 1.00 0.00 H new ATOM 0 HA ASP A 59 -23.050 -11.449 16.577 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.171 -11.068 13.822 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.164 -9.966 15.185 1.00 0.00 H new ATOM 942 N HIS A 60 -23.865 -14.145 15.354 1.00 0.00 N ATOM 943 CA HIS A 60 -24.814 -15.253 15.333 1.00 0.00 C ATOM 944 C HIS A 60 -26.151 -14.812 14.745 1.00 0.00 C ATOM 945 O HIS A 60 -27.211 -15.102 15.300 1.00 0.00 O ATOM 946 CB HIS A 60 -25.021 -15.802 16.745 1.00 0.00 C ATOM 947 CG HIS A 60 -25.260 -14.738 17.772 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.337 -13.950 17.995 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -24.324 -14.383 18.719 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -26.036 -13.141 19.063 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.815 -13.423 19.482 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.895 -14.417 15.193 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.401 -16.040 14.702 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.869 -16.487 16.739 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -24.144 -16.383 17.032 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.342 -14.821 18.821 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.690 -12.396 19.491 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -24.334 -12.976 20.262 1.00 0.00 H new ATOM 959 N HIS A 61 -26.093 -14.108 13.618 1.00 0.00 N ATOM 960 CA HIS A 61 -27.300 -13.627 12.955 1.00 0.00 C ATOM 961 C HIS A 61 -27.325 -14.060 11.492 1.00 0.00 C ATOM 962 O HIS A 61 -28.291 -13.801 10.774 1.00 0.00 O ATOM 963 CB HIS A 61 -27.385 -12.103 13.049 1.00 0.00 C ATOM 964 CG HIS A 61 -28.406 -11.621 14.034 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.576 -10.995 13.659 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.427 -11.677 15.386 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.272 -10.685 14.738 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.597 -11.089 15.799 1.00 0.00 N ATOM 0 H HIS A 61 -25.224 -13.858 13.146 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.162 -14.064 13.460 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.408 -11.709 13.328 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.622 -11.699 12.065 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.666 -12.104 16.022 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.230 -10.186 14.751 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.896 -10.982 16.768 1.00 0.00 H new ATOM 976 N VAL A 62 -26.257 -14.721 11.057 1.00 0.00 N ATOM 977 CA VAL A 62 -26.157 -15.190 9.680 1.00 0.00 C ATOM 978 C VAL A 62 -25.614 -16.613 9.623 1.00 0.00 C ATOM 979 O VAL A 62 -24.574 -16.918 10.208 1.00 0.00 O ATOM 980 CB VAL A 62 -25.250 -14.272 8.839 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.847 -14.226 9.424 1.00 0.00 C ATOM 982 CG2 VAL A 62 -25.217 -14.738 7.391 1.00 0.00 C ATOM 0 H VAL A 62 -25.449 -14.944 11.638 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.165 -15.172 9.265 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.661 -13.263 8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -23.221 -13.573 8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.890 -13.842 10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.423 -15.230 9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.572 -14.078 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.830 -15.756 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -26.225 -14.714 6.978 1.00 0.00 H new ATOM 992 N THR A 63 -26.325 -17.484 8.913 1.00 0.00 N ATOM 993 CA THR A 63 -25.916 -18.876 8.779 1.00 0.00 C ATOM 994 C THR A 63 -24.988 -19.064 7.584 1.00 0.00 C ATOM 995 O THR A 63 -25.016 -18.282 6.634 1.00 0.00 O ATOM 996 CB THR A 63 -27.133 -19.807 8.620 1.00 0.00 C ATOM 997 OG1 THR A 63 -26.701 -21.170 8.544 1.00 0.00 O ATOM 998 CG2 THR A 63 -27.927 -19.451 7.373 1.00 0.00 C ATOM 0 H THR A 63 -27.187 -17.249 8.422 1.00 0.00 H new ATOM 0 HA THR A 63 -25.384 -19.138 9.694 1.00 0.00 H new ATOM 0 HB THR A 63 -27.777 -19.679 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 63 -27.481 -21.755 8.445 1.00 0.00 H new ATOM 0 HG21 THR A 63 -28.781 -20.122 7.282 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.280 -18.422 7.448 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.290 -19.553 6.494 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.165 -20.107 7.638 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.229 -20.399 6.559 1.00 0.00 C ATOM 1008 C VAL A 64 -23.954 -20.538 5.225 1.00 0.00 C ATOM 1009 O VAL A 64 -23.409 -20.204 4.174 1.00 0.00 O ATOM 1010 CB VAL A 64 -22.437 -21.690 6.837 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -21.348 -21.884 5.792 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -21.844 -21.659 8.237 1.00 0.00 C ATOM 0 H VAL A 64 -24.128 -20.764 8.418 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.535 -19.560 6.506 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.121 -22.536 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -20.799 -22.801 6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.801 -21.953 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.663 -21.037 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.288 -22.579 8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.173 -20.805 8.329 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -22.646 -21.571 8.970 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.187 -21.032 5.277 1.00 0.00 N ATOM 1023 CA GLU A 65 -25.987 -21.215 4.071 1.00 0.00 C ATOM 1024 C GLU A 65 -26.324 -19.871 3.432 1.00 0.00 C ATOM 1025 O GLU A 65 -26.332 -19.739 2.209 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.275 -21.975 4.397 1.00 0.00 C ATOM 1027 CG GLU A 65 -27.176 -23.472 4.159 1.00 0.00 C ATOM 1028 CD GLU A 65 -26.480 -24.199 5.293 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -25.235 -24.292 5.262 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -27.179 -24.675 6.211 1.00 0.00 O ATOM 0 H GLU A 65 -25.653 -21.312 6.140 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.400 -21.798 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.537 -21.798 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.087 -21.572 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.177 -23.882 4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -26.635 -23.653 3.230 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.602 -18.878 4.270 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.941 -17.544 3.787 1.00 0.00 C ATOM 1039 C GLN A 66 -25.753 -16.904 3.076 1.00 0.00 C ATOM 1040 O GLN A 66 -25.922 -16.164 2.106 1.00 0.00 O ATOM 1041 CB GLN A 66 -27.393 -16.658 4.949 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.898 -16.656 5.164 1.00 0.00 C ATOM 1043 CD GLN A 66 -29.338 -15.645 6.204 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -30.065 -15.976 7.141 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.897 -14.402 6.046 1.00 0.00 N ATOM 0 H GLN A 66 -26.599 -18.971 5.286 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.759 -17.640 3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.904 -16.995 5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -27.059 -15.636 4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -29.396 -16.439 4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -29.218 -17.651 5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.296 -14.171 5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -29.159 -13.679 6.716 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.552 -17.194 3.564 1.00 0.00 N ATOM 1055 CA LEU A 67 -23.335 -16.646 2.975 1.00 0.00 C ATOM 1056 C LEU A 67 -23.202 -17.063 1.513 1.00 0.00 C ATOM 1057 O LEU A 67 -22.749 -16.284 0.675 1.00 0.00 O ATOM 1058 CB LEU A 67 -22.110 -17.112 3.763 1.00 0.00 C ATOM 1059 CG LEU A 67 -22.059 -16.695 5.233 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.690 -16.991 5.825 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.399 -15.219 5.381 1.00 0.00 C ATOM 0 H LEU A 67 -24.395 -17.805 4.365 1.00 0.00 H new ATOM 0 HA LEU A 67 -23.397 -15.559 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.063 -18.200 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.217 -16.731 3.267 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.802 -17.275 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.673 -16.687 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.486 -18.059 5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.928 -16.439 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.358 -14.940 6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.681 -14.622 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -23.402 -15.036 4.996 1.00 0.00 H new ATOM 1073 N MET A 68 -23.602 -18.295 1.216 1.00 0.00 N ATOM 1074 CA MET A 68 -23.531 -18.813 -0.145 1.00 0.00 C ATOM 1075 C MET A 68 -24.427 -18.008 -1.081 1.00 0.00 C ATOM 1076 O MET A 68 -24.076 -17.764 -2.236 1.00 0.00 O ATOM 1077 CB MET A 68 -23.938 -20.288 -0.174 1.00 0.00 C ATOM 1078 CG MET A 68 -22.984 -21.197 0.583 1.00 0.00 C ATOM 1079 SD MET A 68 -23.270 -22.944 0.241 1.00 0.00 S ATOM 1080 CE MET A 68 -24.386 -23.371 1.574 1.00 0.00 C ATOM 0 H MET A 68 -23.978 -18.953 1.899 1.00 0.00 H new ATOM 0 HA MET A 68 -22.501 -18.721 -0.489 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.937 -20.389 0.251 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.997 -20.620 -1.211 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.958 -20.942 0.317 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.090 -21.018 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.502 -24.454 1.619 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.979 -23.010 2.519 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.357 -22.909 1.397 1.00 0.00 H new ATOM 1090 N LYS A 69 -25.585 -17.598 -0.577 1.00 0.00 N ATOM 1091 CA LYS A 69 -26.532 -16.819 -1.367 1.00 0.00 C ATOM 1092 C LYS A 69 -25.917 -15.492 -1.800 1.00 0.00 C ATOM 1093 O LYS A 69 -26.300 -14.924 -2.822 1.00 0.00 O ATOM 1094 CB LYS A 69 -27.809 -16.563 -0.563 1.00 0.00 C ATOM 1095 CG LYS A 69 -28.630 -17.815 -0.311 1.00 0.00 C ATOM 1096 CD LYS A 69 -29.406 -18.232 -1.549 1.00 0.00 C ATOM 1097 CE LYS A 69 -30.602 -17.324 -1.790 1.00 0.00 C ATOM 1098 NZ LYS A 69 -31.181 -17.516 -3.148 1.00 0.00 N ATOM 0 H LYS A 69 -25.891 -17.792 0.376 1.00 0.00 H new ATOM 0 HA LYS A 69 -26.781 -17.393 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -27.542 -16.115 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -28.424 -15.837 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -27.971 -18.627 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -29.323 -17.637 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.748 -18.207 -2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -29.746 -19.261 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -31.366 -17.523 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -30.298 -16.284 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -31.994 -16.879 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -30.460 -17.302 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -31.494 -18.502 -3.256 1.00 0.00 H new ATOM 1112 N ALA A 70 -24.959 -15.005 -1.017 1.00 0.00 N ATOM 1113 CA ALA A 70 -24.289 -13.748 -1.322 1.00 0.00 C ATOM 1114 C ALA A 70 -23.569 -13.821 -2.665 1.00 0.00 C ATOM 1115 O ALA A 70 -23.438 -12.818 -3.365 1.00 0.00 O ATOM 1116 CB ALA A 70 -23.309 -13.390 -0.215 1.00 0.00 C ATOM 0 H ALA A 70 -24.630 -15.463 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 70 -25.047 -12.968 -1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -22.816 -12.448 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -23.847 -13.287 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -22.562 -14.178 -0.122 1.00 0.00 H new ATOM 1122 N ASN A 71 -23.105 -15.015 -3.018 1.00 0.00 N ATOM 1123 CA ASN A 71 -22.397 -15.218 -4.277 1.00 0.00 C ATOM 1124 C ASN A 71 -23.377 -15.493 -5.413 1.00 0.00 C ATOM 1125 O ASN A 71 -23.442 -14.742 -6.386 1.00 0.00 O ATOM 1126 CB ASN A 71 -21.409 -16.380 -4.149 1.00 0.00 C ATOM 1127 CG ASN A 71 -20.146 -15.985 -3.408 1.00 0.00 C ATOM 1128 OD1 ASN A 71 -19.281 -15.300 -3.954 1.00 0.00 O ATOM 1129 ND2 ASN A 71 -20.035 -16.417 -2.157 1.00 0.00 N ATOM 0 H ASN A 71 -23.206 -15.856 -2.450 1.00 0.00 H new ATOM 0 HA ASN A 71 -21.847 -14.306 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -21.890 -17.207 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -21.146 -16.741 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -19.208 -16.183 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -20.777 -16.982 -1.745 1.00 0.00 H new ATOM 1136 N GLY A 72 -24.139 -16.575 -5.283 1.00 0.00 N ATOM 1137 CA GLY A 72 -25.106 -16.930 -6.305 1.00 0.00 C ATOM 1138 C GLY A 72 -25.136 -18.419 -6.583 1.00 0.00 C ATOM 1139 O GLY A 72 -26.102 -18.932 -7.147 1.00 0.00 O ATOM 0 H GLY A 72 -24.104 -17.212 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -26.097 -16.602 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -24.869 -16.396 -7.226 1.00 0.00 H new ATOM 1143 N GLU A 73 -24.074 -19.115 -6.188 1.00 0.00 N ATOM 1144 CA GLU A 73 -23.983 -20.555 -6.401 1.00 0.00 C ATOM 1145 C GLU A 73 -25.148 -21.279 -5.732 1.00 0.00 C ATOM 1146 O GLU A 73 -25.386 -21.118 -4.535 1.00 0.00 O ATOM 1147 CB GLU A 73 -22.656 -21.090 -5.858 1.00 0.00 C ATOM 1148 CG GLU A 73 -22.491 -20.900 -4.359 1.00 0.00 C ATOM 1149 CD GLU A 73 -21.037 -20.802 -3.940 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -20.172 -21.333 -4.668 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -20.764 -20.195 -2.884 1.00 0.00 O ATOM 0 H GLU A 73 -23.266 -18.706 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 73 -24.030 -20.742 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.579 -22.152 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.835 -20.590 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -23.016 -19.995 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -22.960 -21.734 -3.837 1.00 0.00 H new ATOM 1158 N GLN A 74 -25.870 -22.074 -6.514 1.00 0.00 N ATOM 1159 CA GLN A 74 -27.011 -22.822 -5.998 1.00 0.00 C ATOM 1160 C GLN A 74 -26.559 -24.129 -5.355 1.00 0.00 C ATOM 1161 O GLN A 74 -27.199 -24.631 -4.431 1.00 0.00 O ATOM 1162 CB GLN A 74 -28.009 -23.110 -7.121 1.00 0.00 C ATOM 1163 CG GLN A 74 -28.736 -21.872 -7.621 1.00 0.00 C ATOM 1164 CD GLN A 74 -30.026 -22.205 -8.344 1.00 0.00 C ATOM 1165 OE1 GLN A 74 -30.030 -22.961 -9.316 1.00 0.00 O ATOM 1166 NE2 GLN A 74 -31.132 -21.642 -7.871 1.00 0.00 N ATOM 0 H GLN A 74 -25.686 -22.217 -7.507 1.00 0.00 H new ATOM 0 HA GLN A 74 -27.498 -22.213 -5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -27.481 -23.573 -7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -28.743 -23.834 -6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -28.955 -21.218 -6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -28.081 -21.317 -8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -31.083 -21.022 -7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -32.030 -21.830 -8.316 1.00 0.00 H new ATOM 1175 N VAL A 75 -25.454 -24.676 -5.851 1.00 0.00 N ATOM 1176 CA VAL A 75 -24.916 -25.924 -5.324 1.00 0.00 C ATOM 1177 C VAL A 75 -24.625 -25.812 -3.832 1.00 0.00 C ATOM 1178 O VAL A 75 -24.324 -24.730 -3.328 1.00 0.00 O ATOM 1179 CB VAL A 75 -23.625 -26.333 -6.058 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -22.511 -25.337 -5.775 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -23.207 -27.740 -5.657 1.00 0.00 C ATOM 0 H VAL A 75 -24.914 -24.274 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 75 -25.676 -26.689 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 75 -23.821 -26.328 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.607 -25.643 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.813 -24.347 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.314 -25.307 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -22.293 -28.013 -6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -23.029 -27.774 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -23.999 -28.443 -5.916 1.00 0.00 H new ATOM 1191 N SER A 76 -24.717 -26.937 -3.130 1.00 0.00 N ATOM 1192 CA SER A 76 -24.467 -26.964 -1.694 1.00 0.00 C ATOM 1193 C SER A 76 -23.475 -28.066 -1.336 1.00 0.00 C ATOM 1194 O SER A 76 -22.495 -27.827 -0.630 1.00 0.00 O ATOM 1195 CB SER A 76 -25.777 -27.174 -0.931 1.00 0.00 C ATOM 1196 OG SER A 76 -25.534 -27.687 0.368 1.00 0.00 O ATOM 0 H SER A 76 -24.963 -27.841 -3.532 1.00 0.00 H new ATOM 0 HA SER A 76 -24.037 -26.005 -1.407 1.00 0.00 H new ATOM 0 HB2 SER A 76 -26.314 -26.228 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 76 -26.417 -27.862 -1.483 1.00 0.00 H new ATOM 0 HG SER A 76 -26.386 -27.811 0.836 1.00 0.00 H new ATOM 1202 N GLN A 77 -23.737 -29.272 -1.828 1.00 0.00 N ATOM 1203 CA GLN A 77 -22.867 -30.412 -1.560 1.00 0.00 C ATOM 1204 C GLN A 77 -21.452 -30.147 -2.065 1.00 0.00 C ATOM 1205 O GLN A 77 -20.473 -30.474 -1.395 1.00 0.00 O ATOM 1206 CB GLN A 77 -23.428 -31.674 -2.217 1.00 0.00 C ATOM 1207 CG GLN A 77 -23.611 -31.548 -3.721 1.00 0.00 C ATOM 1208 CD GLN A 77 -24.725 -32.429 -4.250 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -25.444 -33.068 -3.481 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -24.875 -32.467 -5.569 1.00 0.00 N ATOM 0 H GLN A 77 -24.544 -29.486 -2.414 1.00 0.00 H new ATOM 0 HA GLN A 77 -22.826 -30.561 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -22.759 -32.509 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -24.389 -31.914 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -23.825 -30.509 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -22.678 -31.810 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -24.256 -31.921 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -25.609 -33.042 -5.982 1.00 0.00 H new ATOM 1219 N ASP A 78 -21.353 -29.555 -3.250 1.00 0.00 N ATOM 1220 CA ASP A 78 -20.058 -29.246 -3.844 1.00 0.00 C ATOM 1221 C ASP A 78 -19.383 -28.093 -3.108 1.00 0.00 C ATOM 1222 O ASP A 78 -18.207 -27.804 -3.330 1.00 0.00 O ATOM 1223 CB ASP A 78 -20.223 -28.897 -5.324 1.00 0.00 C ATOM 1224 CG ASP A 78 -18.991 -29.237 -6.140 1.00 0.00 C ATOM 1225 OD1 ASP A 78 -18.232 -30.136 -5.721 1.00 0.00 O ATOM 1226 OD2 ASP A 78 -18.786 -28.605 -7.197 1.00 0.00 O ATOM 0 H ASP A 78 -22.154 -29.280 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 78 -19.425 -30.129 -3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -21.082 -29.434 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -20.438 -27.833 -5.422 1.00 0.00 H new ATOM 1231 N VAL A 79 -20.137 -27.435 -2.233 1.00 0.00 N ATOM 1232 CA VAL A 79 -19.612 -26.313 -1.464 1.00 0.00 C ATOM 1233 C VAL A 79 -19.009 -26.784 -0.145 1.00 0.00 C ATOM 1234 O VAL A 79 -19.273 -26.210 0.910 1.00 0.00 O ATOM 1235 CB VAL A 79 -20.709 -25.271 -1.171 1.00 0.00 C ATOM 1236 CG1 VAL A 79 -20.092 -23.969 -0.684 1.00 0.00 C ATOM 1237 CG2 VAL A 79 -21.564 -25.037 -2.407 1.00 0.00 C ATOM 0 H VAL A 79 -21.113 -27.660 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 79 -18.834 -25.850 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 79 -21.352 -25.658 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -20.882 -23.245 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -19.527 -24.154 0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -19.425 -23.574 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -22.334 -24.299 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -20.936 -24.671 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -22.036 -25.973 -2.706 1.00 0.00 H new ATOM 1247 N GLY A 80 -18.196 -27.834 -0.214 1.00 0.00 N ATOM 1248 CA GLY A 80 -17.567 -28.365 0.981 1.00 0.00 C ATOM 1249 C GLY A 80 -16.483 -27.453 1.520 1.00 0.00 C ATOM 1250 O GLY A 80 -15.952 -27.683 2.606 1.00 0.00 O ATOM 0 H GLY A 80 -17.962 -28.326 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -18.325 -28.517 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.138 -29.342 0.758 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.153 -26.415 0.758 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.124 -25.465 1.165 1.00 0.00 C ATOM 1256 C ASP A 81 -15.397 -24.084 0.578 1.00 0.00 C ATOM 1257 O ASP A 81 -15.706 -23.951 -0.607 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.744 -25.956 0.726 1.00 0.00 C ATOM 1259 CG ASP A 81 -12.708 -24.849 0.728 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.563 -24.174 1.769 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.043 -24.656 -0.312 1.00 0.00 O ATOM 0 H ASP A 81 -16.583 -26.211 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.144 -25.388 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.418 -26.756 1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.815 -26.382 -0.275 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.283 -23.058 1.414 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.519 -21.686 0.979 1.00 0.00 C ATOM 1268 C LEU A 82 -14.533 -20.728 1.640 1.00 0.00 C ATOM 1269 O LEU A 82 -13.983 -21.023 2.700 1.00 0.00 O ATOM 1270 CB LEU A 82 -16.953 -21.265 1.306 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.383 -21.424 2.764 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -16.876 -20.258 3.600 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -18.897 -21.536 2.865 1.00 0.00 C ATOM 0 H LEU A 82 -15.028 -23.150 2.397 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.372 -21.643 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.077 -20.220 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.632 -21.846 0.682 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.944 -22.342 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.192 -20.388 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.788 -20.224 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -17.285 -19.326 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -19.185 -21.649 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.356 -20.636 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.236 -22.404 2.300 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.316 -19.580 1.006 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.397 -18.578 1.534 1.00 0.00 C ATOM 1287 C GLU A 83 -13.898 -17.168 1.234 1.00 0.00 C ATOM 1288 O GLU A 83 -14.398 -16.894 0.142 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.001 -18.772 0.940 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.012 -19.321 -0.477 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.704 -18.393 -1.456 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -12.131 -17.331 -1.775 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -13.820 -18.730 -1.904 1.00 0.00 O ATOM 0 H GLU A 83 -14.764 -19.321 0.127 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.345 -18.704 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.477 -17.816 0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.435 -19.450 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.986 -19.490 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.513 -20.289 -0.484 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.761 -16.277 2.210 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.201 -14.896 2.052 1.00 0.00 C ATOM 1302 C PHE A 84 -13.096 -13.924 2.458 1.00 0.00 C ATOM 1303 O PHE A 84 -12.457 -14.094 3.495 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.455 -14.639 2.890 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.664 -15.386 2.404 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.498 -14.833 1.445 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -16.966 -16.642 2.905 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.611 -15.518 0.997 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.078 -17.332 2.460 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.901 -16.770 1.504 1.00 0.00 C ATOM 0 H PHE A 84 -13.349 -16.487 3.119 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.436 -14.733 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.255 -14.920 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.672 -13.571 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.275 -13.856 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -16.325 -17.087 3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -19.254 -15.075 0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -18.303 -18.310 2.860 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.769 -17.308 1.153 1.00 0.00 H new ATOM 1320 N GLU A 85 -12.879 -12.906 1.631 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.852 -11.908 1.904 1.00 0.00 C ATOM 1322 C GLU A 85 -12.476 -10.537 2.149 1.00 0.00 C ATOM 1323 O GLU A 85 -11.845 -9.649 2.723 1.00 0.00 O ATOM 1324 CB GLU A 85 -10.864 -11.829 0.738 1.00 0.00 C ATOM 1325 CG GLU A 85 -11.524 -11.931 -0.627 1.00 0.00 C ATOM 1326 CD GLU A 85 -10.923 -10.975 -1.639 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -11.366 -9.809 -1.689 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -10.009 -11.393 -2.381 1.00 0.00 O ATOM 0 H GLU A 85 -13.400 -12.751 0.768 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.318 -12.211 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.318 -10.888 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.131 -12.630 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.429 -12.952 -0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.590 -11.726 -0.527 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.718 -10.372 1.709 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.429 -9.111 1.880 1.00 0.00 C ATOM 1337 C ASP A 86 -15.936 -9.316 1.763 1.00 0.00 C ATOM 1338 O ASP A 86 -16.491 -9.302 0.664 1.00 0.00 O ATOM 1339 CB ASP A 86 -13.959 -8.091 0.843 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.114 -6.661 1.324 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -14.011 -6.433 2.547 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -14.340 -5.771 0.477 1.00 0.00 O ATOM 0 H ASP A 86 -14.254 -11.096 1.231 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.209 -8.731 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.913 -8.279 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.527 -8.225 -0.077 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.593 -9.507 2.902 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.035 -9.715 2.927 1.00 0.00 C ATOM 1349 C ILE A 87 -18.762 -8.615 2.161 1.00 0.00 C ATOM 1350 O ILE A 87 -18.269 -7.496 2.015 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.573 -9.763 4.369 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.026 -8.585 5.180 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.204 -11.083 5.029 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.602 -8.493 6.575 1.00 0.00 C ATOM 0 H ILE A 87 -16.149 -9.522 3.820 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.223 -10.675 2.446 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.660 -9.686 4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.942 -8.674 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.237 -7.658 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.591 -11.101 6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.636 -11.907 4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.119 -11.188 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.170 -7.636 7.091 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.684 -8.373 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.368 -9.404 7.126 1.00 0.00 H new ATOM 1366 N PRO A 88 -19.965 -8.937 1.662 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.788 -7.989 0.905 1.00 0.00 C ATOM 1368 C PRO A 88 -21.342 -6.873 1.783 1.00 0.00 C ATOM 1369 O PRO A 88 -20.947 -6.726 2.940 1.00 0.00 O ATOM 1370 CB PRO A 88 -21.925 -8.859 0.364 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.017 -9.999 1.319 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.614 -10.252 1.799 1.00 0.00 C ATOM 0 HA PRO A 88 -20.215 -7.482 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.862 -8.303 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.711 -9.206 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.677 -9.758 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.428 -10.883 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.599 -10.602 2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.114 -11.012 1.198 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.260 -6.090 1.227 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.871 -4.987 1.961 1.00 0.00 C ATOM 1382 C ASP A 89 -24.293 -5.339 2.385 1.00 0.00 C ATOM 1383 O ASP A 89 -24.835 -4.751 3.321 1.00 0.00 O ATOM 1384 CB ASP A 89 -22.879 -3.720 1.105 1.00 0.00 C ATOM 1385 CG ASP A 89 -23.978 -3.732 0.061 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -23.817 -4.430 -0.961 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -25.000 -3.044 0.267 1.00 0.00 O ATOM 0 H ASP A 89 -22.598 -6.198 0.271 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.278 -4.806 2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.004 -2.850 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -21.914 -3.613 0.610 1.00 0.00 H new ATOM 1392 N SER A 90 -24.892 -6.299 1.689 1.00 0.00 N ATOM 1393 CA SER A 90 -26.254 -6.726 1.991 1.00 0.00 C ATOM 1394 C SER A 90 -26.297 -7.533 3.284 1.00 0.00 C ATOM 1395 O SER A 90 -27.245 -7.430 4.064 1.00 0.00 O ATOM 1396 CB SER A 90 -26.817 -7.559 0.837 1.00 0.00 C ATOM 1397 OG SER A 90 -26.540 -6.952 -0.413 1.00 0.00 O ATOM 0 H SER A 90 -24.456 -6.796 0.912 1.00 0.00 H new ATOM 0 HA SER A 90 -26.868 -5.834 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.385 -8.560 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 90 -27.894 -7.673 0.959 1.00 0.00 H new ATOM 0 HG SER A 90 -26.908 -7.504 -1.134 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.263 -8.338 3.506 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.181 -9.164 4.706 1.00 0.00 C ATOM 1405 C LEU A 91 -24.853 -8.315 5.930 1.00 0.00 C ATOM 1406 O LEU A 91 -25.577 -8.337 6.926 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.121 -10.252 4.527 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.358 -11.239 3.383 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.210 -12.232 3.288 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.681 -11.967 3.573 1.00 0.00 C ATOM 0 H LEU A 91 -24.471 -8.436 2.871 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.152 -9.633 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.157 -9.769 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -24.047 -10.816 5.457 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.405 -10.679 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.396 -12.926 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.279 -11.695 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -23.131 -12.787 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.834 -12.665 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.663 -12.515 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.496 -11.243 3.590 1.00 0.00 H new ATOM 1422 N LYS A 92 -23.759 -7.566 5.849 1.00 0.00 N ATOM 1423 CA LYS A 92 -23.336 -6.707 6.948 1.00 0.00 C ATOM 1424 C LYS A 92 -24.479 -5.806 7.406 1.00 0.00 C ATOM 1425 O LYS A 92 -24.552 -5.424 8.574 1.00 0.00 O ATOM 1426 CB LYS A 92 -22.139 -5.853 6.524 1.00 0.00 C ATOM 1427 CG LYS A 92 -22.503 -4.721 5.578 1.00 0.00 C ATOM 1428 CD LYS A 92 -21.273 -3.951 5.131 1.00 0.00 C ATOM 1429 CE LYS A 92 -21.626 -2.533 4.709 1.00 0.00 C ATOM 1430 NZ LYS A 92 -20.447 -1.806 4.162 1.00 0.00 N ATOM 0 H LYS A 92 -23.148 -7.537 5.032 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.043 -7.345 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -21.669 -5.434 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -21.399 -6.493 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -23.017 -5.125 4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -23.199 -4.042 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.547 -3.920 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -20.799 -4.472 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -22.414 -2.564 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -22.023 -1.988 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.730 -0.844 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.704 -1.754 4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.083 -2.312 3.329 1.00 0.00 H new ATOM 1444 N ASP A 93 -25.370 -5.473 6.479 1.00 0.00 N ATOM 1445 CA ASP A 93 -26.512 -4.619 6.788 1.00 0.00 C ATOM 1446 C ASP A 93 -27.335 -5.206 7.930 1.00 0.00 C ATOM 1447 O ASP A 93 -27.730 -4.494 8.854 1.00 0.00 O ATOM 1448 CB ASP A 93 -27.391 -4.439 5.550 1.00 0.00 C ATOM 1449 CG ASP A 93 -28.727 -3.802 5.876 1.00 0.00 C ATOM 1450 OD1 ASP A 93 -28.745 -2.828 6.657 1.00 0.00 O ATOM 1451 OD2 ASP A 93 -29.756 -4.278 5.351 1.00 0.00 O ATOM 0 H ASP A 93 -25.324 -5.781 5.508 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.133 -3.646 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -26.865 -3.821 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -27.559 -5.409 5.083 1.00 0.00 H new ATOM 1456 N VAL A 94 -27.591 -6.508 7.861 1.00 0.00 N ATOM 1457 CA VAL A 94 -28.367 -7.191 8.889 1.00 0.00 C ATOM 1458 C VAL A 94 -27.719 -7.036 10.260 1.00 0.00 C ATOM 1459 O VAL A 94 -28.384 -7.155 11.291 1.00 0.00 O ATOM 1460 CB VAL A 94 -28.522 -8.690 8.573 1.00 0.00 C ATOM 1461 CG1 VAL A 94 -27.274 -9.455 8.986 1.00 0.00 C ATOM 1462 CG2 VAL A 94 -29.756 -9.255 9.261 1.00 0.00 C ATOM 0 H VAL A 94 -27.272 -7.112 7.103 1.00 0.00 H new ATOM 0 HA VAL A 94 -29.353 -6.727 8.902 1.00 0.00 H new ATOM 0 HB VAL A 94 -28.650 -8.805 7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -27.402 -10.512 8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -26.413 -9.067 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -27.111 -9.335 10.057 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -29.850 -10.315 9.027 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -29.661 -9.129 10.340 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -30.642 -8.726 8.910 1.00 0.00 H new ATOM 1472 N LEU A 95 -26.417 -6.771 10.267 1.00 0.00 N ATOM 1473 CA LEU A 95 -25.678 -6.599 11.512 1.00 0.00 C ATOM 1474 C LEU A 95 -25.709 -5.144 11.968 1.00 0.00 C ATOM 1475 O LEU A 95 -25.400 -4.836 13.118 1.00 0.00 O ATOM 1476 CB LEU A 95 -24.229 -7.059 11.336 1.00 0.00 C ATOM 1477 CG LEU A 95 -24.021 -8.305 10.475 1.00 0.00 C ATOM 1478 CD1 LEU A 95 -22.551 -8.470 10.121 1.00 0.00 C ATOM 1479 CD2 LEU A 95 -24.541 -9.542 11.192 1.00 0.00 C ATOM 0 H LEU A 95 -25.852 -6.671 9.424 1.00 0.00 H new ATOM 0 HA LEU A 95 -26.157 -7.210 12.277 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -23.659 -6.240 10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -23.807 -7.249 12.323 1.00 0.00 H new ATOM 0 HG LEU A 95 -24.585 -8.182 9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -22.422 -9.362 9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -22.210 -7.596 9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -21.966 -8.570 11.035 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -24.385 -10.419 10.564 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -24.006 -9.669 12.133 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -25.606 -9.425 11.393 1.00 0.00 H new ATOM 1491 N GLY A 96 -26.086 -4.251 11.057 1.00 0.00 N ATOM 1492 CA GLY A 96 -26.154 -2.839 11.385 1.00 0.00 C ATOM 1493 C GLY A 96 -27.557 -2.393 11.743 1.00 0.00 C ATOM 1494 O GLY A 96 -27.886 -1.211 11.643 1.00 0.00 O ATOM 0 H GLY A 96 -26.345 -4.481 10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -25.486 -2.631 12.221 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -25.796 -2.255 10.537 1.00 0.00 H new ATOM 1498 N LYS A 97 -28.389 -3.342 12.160 1.00 0.00 N ATOM 1499 CA LYS A 97 -29.767 -3.042 12.533 1.00 0.00 C ATOM 1500 C LYS A 97 -29.939 -3.078 14.048 1.00 0.00 C ATOM 1501 O LYS A 97 -30.786 -2.377 14.603 1.00 0.00 O ATOM 1502 CB LYS A 97 -30.724 -4.039 11.876 1.00 0.00 C ATOM 1503 CG LYS A 97 -30.680 -5.424 12.497 1.00 0.00 C ATOM 1504 CD LYS A 97 -31.764 -5.599 13.548 1.00 0.00 C ATOM 1505 CE LYS A 97 -32.293 -7.025 13.571 1.00 0.00 C ATOM 1506 NZ LYS A 97 -33.704 -7.085 14.043 1.00 0.00 N ATOM 0 H LYS A 97 -28.133 -4.325 12.248 1.00 0.00 H new ATOM 0 HA LYS A 97 -30.002 -2.037 12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -31.741 -3.652 11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -30.482 -4.117 10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -30.802 -6.177 11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -29.703 -5.590 12.950 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -31.366 -5.342 14.529 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -32.583 -4.909 13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -32.226 -7.453 12.571 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -31.666 -7.635 14.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -34.028 -8.073 14.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -33.764 -6.699 15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -34.307 -6.524 13.408 1.00 0.00 H new ATOM 1520 N TYR A 98 -29.131 -3.897 14.712 1.00 0.00 N ATOM 1521 CA TYR A 98 -29.196 -4.025 16.163 1.00 0.00 C ATOM 1522 C TYR A 98 -28.604 -2.795 16.845 1.00 0.00 C ATOM 1523 O TYR A 98 -29.170 -2.271 17.804 1.00 0.00 O ATOM 1524 CB TYR A 98 -28.452 -5.281 16.619 1.00 0.00 C ATOM 1525 CG TYR A 98 -29.190 -6.072 17.675 1.00 0.00 C ATOM 1526 CD1 TYR A 98 -30.469 -6.560 17.439 1.00 0.00 C ATOM 1527 CD2 TYR A 98 -28.607 -6.332 18.910 1.00 0.00 C ATOM 1528 CE1 TYR A 98 -31.147 -7.282 18.402 1.00 0.00 C ATOM 1529 CE2 TYR A 98 -29.277 -7.054 19.878 1.00 0.00 C ATOM 1530 CZ TYR A 98 -30.547 -7.527 19.620 1.00 0.00 C ATOM 1531 OH TYR A 98 -31.218 -8.247 20.581 1.00 0.00 O ATOM 0 H TYR A 98 -28.423 -4.482 14.268 1.00 0.00 H new ATOM 0 HA TYR A 98 -30.245 -4.108 16.448 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -28.274 -5.922 15.755 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -27.476 -4.993 17.009 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -30.941 -6.372 16.486 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -27.613 -5.963 19.116 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -32.142 -7.653 18.202 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -28.809 -7.247 20.832 1.00 0.00 H new ATOM 0 HH TYR A 98 -30.655 -8.331 21.379 1.00 0.00 H new ATOM 1541 N ALA A 99 -27.462 -2.339 16.342 1.00 0.00 N ATOM 1542 CA ALA A 99 -26.794 -1.170 16.899 1.00 0.00 C ATOM 1543 C ALA A 99 -26.889 0.021 15.951 1.00 0.00 C ATOM 1544 O ALA A 99 -27.354 -0.110 14.818 1.00 0.00 O ATOM 1545 CB ALA A 99 -25.338 -1.489 17.205 1.00 0.00 C ATOM 0 H ALA A 99 -26.980 -2.762 15.549 1.00 0.00 H new ATOM 0 HA ALA A 99 -27.298 -0.903 17.828 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -24.852 -0.606 17.620 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -25.288 -2.304 17.927 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -24.830 -1.785 16.287 1.00 0.00 H new ATOM 1551 N LYS A 100 -26.446 1.182 16.420 1.00 0.00 N ATOM 1552 CA LYS A 100 -26.480 2.397 15.614 1.00 0.00 C ATOM 1553 C LYS A 100 -25.156 2.603 14.885 1.00 0.00 C ATOM 1554 O LYS A 100 -24.290 3.344 15.349 1.00 0.00 O ATOM 1555 CB LYS A 100 -26.783 3.610 16.496 1.00 0.00 C ATOM 1556 CG LYS A 100 -28.085 3.490 17.269 1.00 0.00 C ATOM 1557 CD LYS A 100 -28.019 4.236 18.591 1.00 0.00 C ATOM 1558 CE LYS A 100 -28.142 5.739 18.391 1.00 0.00 C ATOM 1559 NZ LYS A 100 -29.495 6.125 17.903 1.00 0.00 N ATOM 0 H LYS A 100 -26.059 1.308 17.355 1.00 0.00 H new ATOM 0 HA LYS A 100 -27.271 2.289 14.871 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -25.963 3.750 17.201 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -26.822 4.502 15.871 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -28.904 3.885 16.668 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -28.304 2.438 17.454 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -28.818 3.889 19.246 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -27.077 4.010 19.090 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -27.937 6.249 19.332 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -27.389 6.073 17.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -29.653 7.137 18.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -29.562 5.939 16.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -30.217 5.569 18.404 1.00 0.00 H new TER 1573 LYS A 100 HETATM 1574 ZN ZN A 101 -15.487 -34.515 11.617 1.00 0.00 ZN