USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 880 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 32 LYS NZ :NH3+ 171:sc= 2.6 (180deg=2.25) USER MOD Set 1.2: B 74 SER OG : rot 85:sc= 1.26 USER MOD Set 2.1: A 74 SER OG : rot 82:sc= 1.25 USER MOD Set 2.2: B 32 LYS NZ :NH3+ 157:sc= 2.59 (180deg=2.53) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0211 (180deg=-0.263) USER MOD Single : A 36 LYS NZ :NH3+ 169:sc=-0.00841 (180deg=-0.149) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 41 TYR OH : rot -22:sc= 0.56 USER MOD Single : A 43 MET CE :methyl -142:sc= -2.39! (180deg=-2.83!) USER MOD Single : A 44 GLN : amide:sc= 0.506 K(o=0.51,f=0) USER MOD Single : A 46 MET CE :methyl -148:sc= -0.48 (180deg=-1.82) USER MOD Single : A 47 ASN : amide:sc= 0.325 X(o=0.33,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 138:sc= -3.97! (180deg=-5.62!) USER MOD Single : A 53 SER OG : rot -35:sc= 0.16 USER MOD Single : A 54 SER OG : rot -25:sc= 0.31 USER MOD Single : A 57 ASN : amide:sc= -0.9 K(o=-0.9,f=-5.9!) USER MOD Single : A 59 SER OG : rot -9:sc= 1 USER MOD Single : A 63 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 64 HIS : no HE2:sc= -1.45 K(o=-1.4,f=-3.7!) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0103) USER MOD Single : A 80 MET CE :methyl -128:sc= -0.319 (180deg=-3.12!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : B -1 SER OG : rot 180:sc= 0 USER MOD Single : B -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ -165:sc= -0.013 (180deg=-0.258) USER MOD Single : B 36 LYS NZ :NH3+ 169:sc= -0.0168 (180deg=-0.162) USER MOD Single : B 38 THR OG1 : rot 180:sc= -0.178 USER MOD Single : B 41 TYR OH : rot -23:sc= 0.596 USER MOD Single : B 43 MET CE :methyl -144:sc= -2.36! (180deg=-2.87!) USER MOD Single : B 44 GLN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : B 46 MET CE :methyl -147:sc= -0.448 (180deg=-1.77) USER MOD Single : B 47 ASN : amide:sc= 0.299 X(o=0.3,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 MET CE :methyl 139:sc= -3.95! (180deg=-5.59!) USER MOD Single : B 53 SER OG : rot -25:sc= 0.136 USER MOD Single : B 54 SER OG : rot -24:sc= 0.306 USER MOD Single : B 57 ASN : amide:sc= -0.981 K(o=-0.98,f=-6!) USER MOD Single : B 59 SER OG : rot -8:sc= 0.973 USER MOD Single : B 63 THR OG1 : rot 84:sc= 1.21 USER MOD Single : B 64 HIS : no HE2:sc= -1.54 K(o=-1.5,f=-4!) USER MOD Single : B 78 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0149) USER MOD Single : B 80 MET CE :methyl -129:sc= -0.306 (180deg=-3.12!) USER MOD Single : B 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -10.421 -7.043 -16.507 1.00 7.36 N ATOM 2 CA GLY A -2 -9.308 -6.227 -15.969 1.00 7.04 C ATOM 3 C GLY A -2 -8.370 -7.049 -15.115 1.00 6.49 C ATOM 4 O GLY A -2 -8.797 -7.681 -14.148 1.00 6.41 O ATOM 0 H1 GLY A -2 -11.042 -6.444 -17.087 1.00 7.36 H new ATOM 0 H2 GLY A -2 -10.036 -7.812 -17.092 1.00 7.36 H new ATOM 0 H3 GLY A -2 -10.967 -7.447 -15.720 1.00 7.36 H new ATOM 0 HA2 GLY A -2 -8.752 -5.782 -16.794 1.00 7.04 H new ATOM 0 HA3 GLY A -2 -9.713 -5.406 -15.377 1.00 7.04 H new ATOM 10 N SER A -1 -7.097 -7.055 -15.477 1.00 6.40 N ATOM 11 CA SER A -1 -6.095 -7.804 -14.738 1.00 6.10 C ATOM 12 C SER A -1 -4.725 -7.153 -14.889 1.00 5.78 C ATOM 13 O SER A -1 -4.457 -6.478 -15.885 1.00 6.08 O ATOM 14 CB SER A -1 -6.066 -9.255 -15.224 1.00 6.39 C ATOM 15 OG SER A -1 -6.094 -9.322 -16.644 1.00 6.63 O ATOM 0 H SER A -1 -6.733 -6.546 -16.283 1.00 6.40 H new ATOM 0 HA SER A -1 -6.356 -7.798 -13.680 1.00 6.10 H new ATOM 0 HB2 SER A -1 -5.168 -9.748 -14.852 1.00 6.39 H new ATOM 0 HB3 SER A -1 -6.920 -9.796 -14.815 1.00 6.39 H new ATOM 0 HG SER A -1 -6.073 -10.260 -16.928 1.00 6.63 H new ATOM 21 N LYS A 32 -3.868 -7.353 -13.898 1.00 5.46 N ATOM 22 CA LYS A 32 -2.534 -6.764 -13.899 1.00 5.30 C ATOM 23 C LYS A 32 -1.514 -7.732 -13.310 1.00 4.83 C ATOM 24 O LYS A 32 -1.875 -8.806 -12.824 1.00 4.65 O ATOM 25 CB LYS A 32 -2.533 -5.435 -13.123 1.00 5.58 C ATOM 26 CG LYS A 32 -3.362 -5.439 -11.840 1.00 6.00 C ATOM 27 CD LYS A 32 -2.836 -6.425 -10.805 1.00 6.38 C ATOM 28 CE LYS A 32 -3.667 -6.389 -9.536 1.00 7.09 C ATOM 29 NZ LYS A 32 -3.499 -5.110 -8.806 1.00 7.47 N ATOM 0 H LYS A 32 -4.074 -7.922 -13.077 1.00 5.46 H new ATOM 0 HA LYS A 32 -2.250 -6.561 -14.932 1.00 5.30 H new ATOM 0 HB2 LYS A 32 -1.504 -5.178 -12.872 1.00 5.58 H new ATOM 0 HB3 LYS A 32 -2.908 -4.648 -13.778 1.00 5.58 H new ATOM 0 HG2 LYS A 32 -3.367 -4.437 -11.412 1.00 6.00 H new ATOM 0 HG3 LYS A 32 -4.396 -5.688 -12.081 1.00 6.00 H new ATOM 0 HD2 LYS A 32 -2.847 -7.432 -11.221 1.00 6.38 H new ATOM 0 HD3 LYS A 32 -1.798 -6.189 -10.569 1.00 6.38 H new ATOM 0 HE2 LYS A 32 -4.719 -6.530 -9.786 1.00 7.09 H new ATOM 0 HE3 LYS A 32 -3.379 -7.218 -8.889 1.00 7.09 H new ATOM 0 HZ1 LYS A 32 -4.192 -5.059 -8.032 1.00 7.47 H new ATOM 0 HZ2 LYS A 32 -2.537 -5.058 -8.414 1.00 7.47 H new ATOM 0 HZ3 LYS A 32 -3.650 -4.315 -9.459 1.00 7.47 H new ATOM 43 N GLU A 33 -0.247 -7.348 -13.358 1.00 4.81 N ATOM 44 CA GLU A 33 0.828 -8.165 -12.815 1.00 4.46 C ATOM 45 C GLU A 33 1.310 -7.596 -11.492 1.00 3.99 C ATOM 46 O GLU A 33 1.688 -6.425 -11.411 1.00 4.06 O ATOM 47 CB GLU A 33 2.000 -8.230 -13.791 1.00 4.70 C ATOM 48 CG GLU A 33 1.672 -8.912 -15.106 1.00 4.79 C ATOM 49 CD GLU A 33 2.832 -8.872 -16.077 1.00 4.98 C ATOM 50 OE1 GLU A 33 3.849 -9.549 -15.827 1.00 5.29 O ATOM 51 OE2 GLU A 33 2.735 -8.164 -17.099 1.00 5.18 O ATOM 0 H GLU A 33 0.063 -6.468 -13.771 1.00 4.81 H new ATOM 0 HA GLU A 33 0.438 -9.170 -12.656 1.00 4.46 H new ATOM 0 HB2 GLU A 33 2.346 -7.217 -13.996 1.00 4.70 H new ATOM 0 HB3 GLU A 33 2.826 -8.759 -13.316 1.00 4.70 H new ATOM 0 HG2 GLU A 33 1.395 -9.949 -14.916 1.00 4.79 H new ATOM 0 HG3 GLU A 33 0.806 -8.429 -15.558 1.00 4.79 H new ATOM 58 N LYS A 34 1.290 -8.425 -10.461 1.00 3.73 N ATOM 59 CA LYS A 34 1.765 -8.016 -9.147 1.00 3.43 C ATOM 60 C LYS A 34 3.277 -7.767 -9.188 1.00 3.03 C ATOM 61 O LYS A 34 4.030 -8.531 -9.803 1.00 3.00 O ATOM 62 CB LYS A 34 1.410 -9.067 -8.080 1.00 3.71 C ATOM 63 CG LYS A 34 2.278 -10.318 -8.092 1.00 4.14 C ATOM 64 CD LYS A 34 2.012 -11.197 -9.305 1.00 4.58 C ATOM 65 CE LYS A 34 2.935 -12.404 -9.328 1.00 5.29 C ATOM 66 NZ LYS A 34 4.364 -12.010 -9.439 1.00 5.78 N ATOM 0 H LYS A 34 0.950 -9.386 -10.507 1.00 3.73 H new ATOM 0 HA LYS A 34 1.267 -7.086 -8.873 1.00 3.43 H new ATOM 0 HB2 LYS A 34 1.483 -8.603 -7.097 1.00 3.71 H new ATOM 0 HB3 LYS A 34 0.370 -9.364 -8.216 1.00 3.71 H new ATOM 0 HG2 LYS A 34 3.329 -10.028 -8.080 1.00 4.14 H new ATOM 0 HG3 LYS A 34 2.096 -10.892 -7.184 1.00 4.14 H new ATOM 0 HD2 LYS A 34 0.974 -11.531 -9.294 1.00 4.58 H new ATOM 0 HD3 LYS A 34 2.150 -10.614 -10.216 1.00 4.58 H new ATOM 0 HE2 LYS A 34 2.790 -12.989 -8.420 1.00 5.29 H new ATOM 0 HE3 LYS A 34 2.670 -13.047 -10.167 1.00 5.29 H new ATOM 0 HZ1 LYS A 34 4.933 -12.839 -9.705 1.00 5.78 H new ATOM 0 HZ2 LYS A 34 4.465 -11.273 -10.166 1.00 5.78 H new ATOM 0 HZ3 LYS A 34 4.695 -11.642 -8.524 1.00 5.78 H new ATOM 80 N PRO A 35 3.729 -6.677 -8.554 1.00 2.87 N ATOM 81 CA PRO A 35 5.138 -6.275 -8.561 1.00 2.61 C ATOM 82 C PRO A 35 6.016 -7.195 -7.718 1.00 2.27 C ATOM 83 O PRO A 35 5.543 -7.845 -6.786 1.00 2.34 O ATOM 84 CB PRO A 35 5.107 -4.868 -7.959 1.00 2.80 C ATOM 85 CG PRO A 35 3.896 -4.851 -7.097 1.00 3.20 C ATOM 86 CD PRO A 35 2.896 -5.751 -7.770 1.00 3.15 C ATOM 0 HA PRO A 35 5.566 -6.319 -9.562 1.00 2.61 H new ATOM 0 HB2 PRO A 35 6.008 -4.666 -7.380 1.00 2.80 H new ATOM 0 HB3 PRO A 35 5.050 -4.106 -8.736 1.00 2.80 H new ATOM 0 HG2 PRO A 35 4.127 -5.206 -6.093 1.00 3.20 H new ATOM 0 HG3 PRO A 35 3.504 -3.839 -6.995 1.00 3.20 H new ATOM 0 HD2 PRO A 35 2.283 -6.283 -7.042 1.00 3.15 H new ATOM 0 HD3 PRO A 35 2.216 -5.187 -8.408 1.00 3.15 H new ATOM 94 N LYS A 36 7.295 -7.246 -8.055 1.00 2.07 N ATOM 95 CA LYS A 36 8.238 -8.092 -7.343 1.00 1.82 C ATOM 96 C LYS A 36 9.061 -7.269 -6.353 1.00 1.56 C ATOM 97 O LYS A 36 9.647 -6.248 -6.718 1.00 1.53 O ATOM 98 CB LYS A 36 9.159 -8.821 -8.330 1.00 1.80 C ATOM 99 CG LYS A 36 9.894 -7.895 -9.290 1.00 2.24 C ATOM 100 CD LYS A 36 10.829 -8.662 -10.214 1.00 2.52 C ATOM 101 CE LYS A 36 10.075 -9.629 -11.114 1.00 3.04 C ATOM 102 NZ LYS A 36 9.120 -8.931 -12.015 1.00 3.62 N ATOM 0 H LYS A 36 7.704 -6.709 -8.820 1.00 2.07 H new ATOM 0 HA LYS A 36 7.673 -8.837 -6.783 1.00 1.82 H new ATOM 0 HB2 LYS A 36 9.891 -9.400 -7.768 1.00 1.80 H new ATOM 0 HB3 LYS A 36 8.567 -9.531 -8.908 1.00 1.80 H new ATOM 0 HG2 LYS A 36 9.169 -7.340 -9.886 1.00 2.24 H new ATOM 0 HG3 LYS A 36 10.466 -7.162 -8.721 1.00 2.24 H new ATOM 0 HD2 LYS A 36 11.390 -7.957 -10.828 1.00 2.52 H new ATOM 0 HD3 LYS A 36 11.556 -9.214 -9.618 1.00 2.52 H new ATOM 0 HE2 LYS A 36 10.788 -10.196 -11.713 1.00 3.04 H new ATOM 0 HE3 LYS A 36 9.533 -10.347 -10.499 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 8.768 -9.598 -12.732 1.00 3.62 H new ATOM 0 HZ2 LYS A 36 8.320 -8.567 -11.458 1.00 3.62 H new ATOM 0 HZ3 LYS A 36 9.603 -8.139 -12.486 1.00 3.62 H new ATOM 116 N PRO A 37 9.080 -7.683 -5.078 1.00 1.50 N ATOM 117 CA PRO A 37 9.894 -7.034 -4.044 1.00 1.33 C ATOM 118 C PRO A 37 11.386 -7.059 -4.378 1.00 1.14 C ATOM 119 O PRO A 37 12.029 -8.109 -4.341 1.00 1.27 O ATOM 120 CB PRO A 37 9.617 -7.872 -2.793 1.00 1.52 C ATOM 121 CG PRO A 37 8.305 -8.522 -3.056 1.00 1.74 C ATOM 122 CD PRO A 37 8.282 -8.791 -4.530 1.00 1.75 C ATOM 0 HA PRO A 37 9.642 -5.979 -3.933 1.00 1.33 H new ATOM 0 HB2 PRO A 37 10.400 -8.613 -2.631 1.00 1.52 H new ATOM 0 HB3 PRO A 37 9.578 -7.249 -1.900 1.00 1.52 H new ATOM 0 HG2 PRO A 37 8.203 -9.446 -2.487 1.00 1.74 H new ATOM 0 HG3 PRO A 37 7.480 -7.874 -2.762 1.00 1.74 H new ATOM 0 HD2 PRO A 37 8.718 -9.761 -4.771 1.00 1.75 H new ATOM 0 HD3 PRO A 37 7.266 -8.791 -4.925 1.00 1.75 H new ATOM 130 N THR A 38 11.921 -5.897 -4.709 1.00 0.97 N ATOM 131 CA THR A 38 13.332 -5.752 -5.020 1.00 0.83 C ATOM 132 C THR A 38 13.926 -4.622 -4.185 1.00 0.72 C ATOM 133 O THR A 38 13.172 -3.869 -3.567 1.00 0.65 O ATOM 134 CB THR A 38 13.532 -5.446 -6.520 1.00 0.79 C ATOM 135 OG1 THR A 38 12.712 -4.332 -6.900 1.00 0.85 O ATOM 136 CG2 THR A 38 13.187 -6.655 -7.379 1.00 0.95 C ATOM 0 H THR A 38 11.390 -5.028 -4.770 1.00 0.97 H new ATOM 0 HA THR A 38 13.837 -6.689 -4.786 1.00 0.83 H new ATOM 0 HB THR A 38 14.582 -5.202 -6.681 1.00 0.79 H new ATOM 0 HG1 THR A 38 12.843 -4.139 -7.852 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.338 -6.409 -8.430 1.00 0.95 H new ATOM 0 HG22 THR A 38 13.831 -7.491 -7.106 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.145 -6.931 -7.217 1.00 0.95 H new ATOM 144 N PRO A 39 15.258 -4.480 -4.114 1.00 0.74 N ATOM 145 CA PRO A 39 15.872 -3.359 -3.402 1.00 0.70 C ATOM 146 C PRO A 39 15.382 -2.017 -3.931 1.00 0.62 C ATOM 147 O PRO A 39 15.034 -1.135 -3.158 1.00 0.56 O ATOM 148 CB PRO A 39 17.365 -3.525 -3.659 1.00 0.78 C ATOM 149 CG PRO A 39 17.538 -4.968 -3.991 1.00 0.87 C ATOM 150 CD PRO A 39 16.267 -5.396 -4.677 1.00 0.83 C ATOM 0 HA PRO A 39 15.620 -3.365 -2.342 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.698 -2.888 -4.478 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.950 -3.248 -2.782 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.400 -5.117 -4.641 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.712 -5.557 -3.090 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.341 -5.298 -5.760 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.027 -6.438 -4.467 1.00 0.83 H new ATOM 158 N ASP A 40 15.327 -1.878 -5.252 1.00 0.66 N ATOM 159 CA ASP A 40 14.811 -0.658 -5.875 1.00 0.64 C ATOM 160 C ASP A 40 13.401 -0.372 -5.383 1.00 0.58 C ATOM 161 O ASP A 40 13.043 0.771 -5.097 1.00 0.58 O ATOM 162 CB ASP A 40 14.806 -0.789 -7.398 1.00 0.72 C ATOM 163 CG ASP A 40 16.200 -0.847 -7.979 1.00 1.44 C ATOM 164 OD1 ASP A 40 16.733 0.215 -8.355 1.00 2.22 O ATOM 165 OD2 ASP A 40 16.769 -1.952 -8.063 1.00 2.15 O ATOM 0 H ASP A 40 15.632 -2.592 -5.913 1.00 0.66 H new ATOM 0 HA ASP A 40 15.465 0.168 -5.596 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.261 -1.690 -7.680 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.271 0.056 -7.830 1.00 0.72 H new ATOM 170 N TYR A 41 12.615 -1.431 -5.275 1.00 0.57 N ATOM 171 CA TYR A 41 11.256 -1.345 -4.769 1.00 0.54 C ATOM 172 C TYR A 41 11.263 -0.889 -3.309 1.00 0.46 C ATOM 173 O TYR A 41 10.453 -0.054 -2.908 1.00 0.43 O ATOM 174 CB TYR A 41 10.586 -2.715 -4.902 1.00 0.61 C ATOM 175 CG TYR A 41 9.079 -2.700 -4.797 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.442 -2.908 -3.580 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.293 -2.501 -5.922 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.063 -2.918 -3.490 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.915 -2.503 -5.839 1.00 0.88 C ATOM 180 CZ TYR A 41 6.304 -2.715 -4.624 1.00 0.73 C ATOM 181 OH TYR A 41 4.932 -2.722 -4.546 1.00 0.81 O ATOM 0 H TYR A 41 12.902 -2.374 -5.536 1.00 0.57 H new ATOM 0 HA TYR A 41 10.695 -0.612 -5.349 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.864 -3.147 -5.863 1.00 0.61 H new ATOM 0 HB3 TYR A 41 10.983 -3.374 -4.129 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.034 -3.064 -2.690 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.767 -2.342 -6.879 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.582 -3.084 -2.537 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.319 -2.339 -6.724 1.00 0.88 H new ATOM 0 HH TYR A 41 4.652 -3.219 -3.749 1.00 0.81 H new ATOM 191 N LEU A 42 12.215 -1.405 -2.538 1.00 0.44 N ATOM 192 CA LEU A 42 12.273 -1.153 -1.101 1.00 0.39 C ATOM 193 C LEU A 42 12.936 0.187 -0.776 1.00 0.37 C ATOM 194 O LEU A 42 12.548 0.861 0.176 1.00 0.34 O ATOM 195 CB LEU A 42 13.025 -2.287 -0.398 1.00 0.43 C ATOM 196 CG LEU A 42 13.208 -2.117 1.112 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.863 -1.980 1.805 1.00 0.37 C ATOM 198 CD2 LEU A 42 13.985 -3.288 1.691 1.00 0.48 C ATOM 0 H LEU A 42 12.962 -2.005 -2.887 1.00 0.44 H new ATOM 0 HA LEU A 42 11.246 -1.110 -0.738 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.492 -3.220 -0.579 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.009 -2.387 -0.857 1.00 0.43 H new ATOM 0 HG LEU A 42 13.778 -1.204 1.285 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.017 -1.860 2.877 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.339 -1.108 1.414 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.266 -2.874 1.622 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.105 -3.149 2.765 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.441 -4.214 1.503 1.00 0.48 H new ATOM 0 HD23 LEU A 42 14.967 -3.342 1.220 1.00 0.48 H new ATOM 210 N MET A 43 13.909 0.594 -1.580 1.00 0.40 N ATOM 211 CA MET A 43 14.671 1.802 -1.291 1.00 0.40 C ATOM 212 C MET A 43 13.829 3.021 -1.604 1.00 0.37 C ATOM 213 O MET A 43 13.913 4.045 -0.930 1.00 0.36 O ATOM 214 CB MET A 43 15.973 1.847 -2.101 1.00 0.47 C ATOM 215 CG MET A 43 17.209 1.407 -1.350 1.00 0.63 C ATOM 216 SD MET A 43 17.488 -0.378 -1.364 1.00 0.85 S ATOM 217 CE MET A 43 16.345 -0.946 -0.107 1.00 0.55 C ATOM 0 H MET A 43 14.188 0.109 -2.433 1.00 0.40 H new ATOM 0 HA MET A 43 14.932 1.796 -0.233 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.857 1.215 -2.982 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.126 2.866 -2.457 1.00 0.47 H new ATOM 0 HG2 MET A 43 18.078 1.903 -1.782 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.131 1.743 -0.316 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.801 -1.758 0.460 1.00 0.55 H new ATOM 0 HE2 MET A 43 16.106 -0.123 0.566 1.00 0.55 H new ATOM 0 HE3 MET A 43 15.431 -1.304 -0.581 1.00 0.55 H new ATOM 227 N GLN A 44 12.999 2.889 -2.625 1.00 0.36 N ATOM 228 CA GLN A 44 12.086 3.954 -3.000 1.00 0.35 C ATOM 229 C GLN A 44 10.908 3.996 -2.036 1.00 0.30 C ATOM 230 O GLN A 44 10.292 5.040 -1.849 1.00 0.30 O ATOM 231 CB GLN A 44 11.603 3.781 -4.440 1.00 0.42 C ATOM 232 CG GLN A 44 12.672 4.087 -5.477 1.00 0.52 C ATOM 233 CD GLN A 44 12.214 3.793 -6.890 1.00 0.64 C ATOM 234 OE1 GLN A 44 11.644 4.652 -7.566 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.466 2.580 -7.348 1.00 0.75 N ATOM 0 H GLN A 44 12.939 2.055 -3.209 1.00 0.36 H new ATOM 0 HA GLN A 44 12.620 4.903 -2.941 1.00 0.35 H new ATOM 0 HB2 GLN A 44 11.256 2.757 -4.578 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.746 4.434 -4.609 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.956 5.137 -5.402 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.564 3.499 -5.258 1.00 0.52 H new ATOM 0 HE21 GLN A 44 12.940 1.899 -6.755 1.00 0.75 H new ATOM 0 HE22 GLN A 44 12.186 2.324 -8.295 1.00 0.75 H new ATOM 244 N LEU A 45 10.593 2.853 -1.426 1.00 0.27 N ATOM 245 CA LEU A 45 9.566 2.803 -0.393 1.00 0.25 C ATOM 246 C LEU A 45 9.985 3.574 0.846 1.00 0.23 C ATOM 247 O LEU A 45 9.136 4.125 1.550 1.00 0.23 O ATOM 248 CB LEU A 45 9.249 1.356 -0.008 1.00 0.29 C ATOM 249 CG LEU A 45 8.173 0.665 -0.846 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.058 -0.804 -0.468 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.836 1.360 -0.652 1.00 0.31 C ATOM 0 H LEU A 45 11.033 1.956 -1.630 1.00 0.27 H new ATOM 0 HA LEU A 45 8.672 3.269 -0.808 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.167 0.772 -0.077 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.937 1.338 1.036 1.00 0.29 H new ATOM 0 HG LEU A 45 8.459 0.729 -1.896 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.287 -1.277 -1.076 1.00 0.38 H new ATOM 0 HD12 LEU A 45 9.013 -1.300 -0.642 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.792 -0.889 0.586 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.076 0.861 -1.253 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.553 1.317 0.400 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.919 2.401 -0.964 1.00 0.31 H new ATOM 263 N MET A 46 11.286 3.610 1.117 1.00 0.26 N ATOM 264 CA MET A 46 11.792 4.367 2.250 1.00 0.28 C ATOM 265 C MET A 46 11.396 5.825 2.082 1.00 0.27 C ATOM 266 O MET A 46 10.773 6.415 2.963 1.00 0.41 O ATOM 267 CB MET A 46 13.313 4.247 2.372 1.00 0.33 C ATOM 268 CG MET A 46 13.809 2.819 2.542 1.00 0.39 C ATOM 269 SD MET A 46 15.570 2.728 2.941 1.00 0.49 S ATOM 270 CE MET A 46 16.280 3.700 1.614 1.00 0.49 C ATOM 0 H MET A 46 12.001 3.128 0.572 1.00 0.26 H new ATOM 0 HA MET A 46 11.358 3.961 3.164 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.774 4.677 1.483 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.647 4.841 3.223 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.237 2.333 3.332 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.621 2.263 1.624 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.267 3.309 1.365 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.635 3.644 0.737 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.371 4.739 1.932 1.00 0.49 H new ATOM 280 N ASN A 47 11.777 6.390 0.936 1.00 0.24 N ATOM 281 CA ASN A 47 11.348 7.724 0.514 1.00 0.30 C ATOM 282 C ASN A 47 9.878 7.994 0.807 1.00 0.26 C ATOM 283 O ASN A 47 9.533 9.053 1.334 1.00 0.27 O ATOM 284 CB ASN A 47 11.603 7.888 -0.991 1.00 0.42 C ATOM 285 CG ASN A 47 11.029 9.173 -1.564 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.691 10.211 -1.582 1.00 1.61 O ATOM 287 ND2 ASN A 47 9.796 9.114 -2.052 1.00 1.42 N ATOM 0 H ASN A 47 12.397 5.931 0.269 1.00 0.24 H new ATOM 0 HA ASN A 47 11.930 8.445 1.088 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.677 7.865 -1.175 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.171 7.038 -1.520 1.00 0.42 H new ATOM 0 HD21 ASN A 47 9.368 9.946 -2.459 1.00 1.42 H new ATOM 0 HD22 ASN A 47 9.276 8.237 -2.020 1.00 1.42 H new ATOM 294 N ASP A 48 9.020 7.034 0.496 1.00 0.24 N ATOM 295 CA ASP A 48 7.583 7.247 0.582 1.00 0.24 C ATOM 296 C ASP A 48 7.135 7.287 2.036 1.00 0.25 C ATOM 297 O ASP A 48 6.492 8.241 2.475 1.00 0.30 O ATOM 298 CB ASP A 48 6.825 6.142 -0.158 1.00 0.25 C ATOM 299 CG ASP A 48 7.071 6.130 -1.655 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.578 7.135 -2.200 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.726 5.117 -2.306 1.00 0.74 O ATOM 0 H ASP A 48 9.293 6.102 0.183 1.00 0.24 H new ATOM 0 HA ASP A 48 7.358 8.205 0.112 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.113 5.176 0.256 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.757 6.261 0.025 1.00 0.25 H new ATOM 306 N LYS A 49 7.506 6.248 2.782 1.00 0.22 N ATOM 307 CA LYS A 49 7.145 6.123 4.195 1.00 0.27 C ATOM 308 C LYS A 49 7.730 7.279 5.006 1.00 0.32 C ATOM 309 O LYS A 49 7.197 7.663 6.047 1.00 0.44 O ATOM 310 CB LYS A 49 7.650 4.784 4.744 1.00 0.31 C ATOM 311 CG LYS A 49 6.718 4.133 5.762 1.00 0.59 C ATOM 312 CD LYS A 49 6.587 4.953 7.032 1.00 0.92 C ATOM 313 CE LYS A 49 7.853 4.902 7.874 1.00 1.45 C ATOM 314 NZ LYS A 49 7.688 5.623 9.162 1.00 2.10 N ATOM 0 H LYS A 49 8.063 5.471 2.427 1.00 0.22 H new ATOM 0 HA LYS A 49 6.059 6.159 4.282 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.798 4.096 3.912 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.624 4.938 5.207 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.733 4.000 5.315 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.092 3.140 6.011 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.364 5.988 6.774 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.746 4.582 7.618 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.117 3.863 8.070 1.00 1.45 H new ATOM 0 HE3 LYS A 49 8.679 5.341 7.315 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.572 5.566 9.708 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.461 6.620 8.975 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 6.916 5.188 9.707 1.00 2.10 H new ATOM 328 N LYS A 50 8.799 7.861 4.502 1.00 0.30 N ATOM 329 CA LYS A 50 9.475 8.938 5.199 1.00 0.37 C ATOM 330 C LYS A 50 8.810 10.261 4.852 1.00 0.39 C ATOM 331 O LYS A 50 8.527 11.078 5.729 1.00 0.43 O ATOM 332 CB LYS A 50 10.957 8.973 4.815 1.00 0.42 C ATOM 333 CG LYS A 50 11.762 10.007 5.583 1.00 1.14 C ATOM 334 CD LYS A 50 13.211 10.042 5.127 1.00 1.67 C ATOM 335 CE LYS A 50 14.025 11.027 5.949 1.00 2.35 C ATOM 336 NZ LYS A 50 15.424 11.140 5.459 1.00 3.05 N ATOM 0 H LYS A 50 9.220 7.606 3.609 1.00 0.30 H new ATOM 0 HA LYS A 50 9.403 8.770 6.274 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.391 7.988 4.986 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.042 9.178 3.748 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.314 10.991 5.447 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.721 9.782 6.649 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.646 9.046 5.214 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.256 10.319 4.074 1.00 1.67 H new ATOM 0 HE2 LYS A 50 13.549 12.007 5.916 1.00 2.35 H new ATOM 0 HE3 LYS A 50 14.031 10.711 6.992 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 15.944 11.822 6.048 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 15.887 10.211 5.515 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 15.421 11.467 4.472 1.00 3.05 H new ATOM 350 N LEU A 51 8.541 10.453 3.562 1.00 0.38 N ATOM 351 CA LEU A 51 7.914 11.673 3.077 1.00 0.44 C ATOM 352 C LEU A 51 6.514 11.829 3.658 1.00 0.42 C ATOM 353 O LEU A 51 6.120 12.931 4.035 1.00 0.47 O ATOM 354 CB LEU A 51 7.870 11.669 1.542 1.00 0.48 C ATOM 355 CG LEU A 51 7.541 13.011 0.875 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.163 13.073 -0.507 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.038 13.215 0.771 1.00 1.22 C ATOM 0 H LEU A 51 8.751 9.772 2.832 1.00 0.38 H new ATOM 0 HA LEU A 51 8.509 12.525 3.406 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.837 11.329 1.171 1.00 0.48 H new ATOM 0 HB3 LEU A 51 7.130 10.936 1.221 1.00 0.48 H new ATOM 0 HG LEU A 51 7.955 13.807 1.495 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.923 14.030 -0.971 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.245 12.971 -0.424 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.768 12.263 -1.120 1.00 1.10 H new ATOM 0 HD21 LEU A 51 5.833 14.174 0.295 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.602 12.413 0.175 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.600 13.205 1.769 1.00 1.22 H new ATOM 369 N MET A 52 5.767 10.732 3.761 1.00 0.39 N ATOM 370 CA MET A 52 4.416 10.789 4.306 1.00 0.37 C ATOM 371 C MET A 52 4.466 11.137 5.791 1.00 0.41 C ATOM 372 O MET A 52 3.580 11.809 6.317 1.00 0.47 O ATOM 373 CB MET A 52 3.688 9.450 4.099 1.00 0.33 C ATOM 374 CG MET A 52 4.316 8.287 4.852 1.00 1.29 C ATOM 375 SD MET A 52 3.498 6.713 4.533 1.00 1.25 S ATOM 376 CE MET A 52 3.697 6.580 2.758 1.00 0.31 C ATOM 0 H MET A 52 6.072 9.801 3.477 1.00 0.39 H new ATOM 0 HA MET A 52 3.863 11.565 3.777 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.651 9.558 4.416 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.673 9.216 3.035 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.367 8.207 4.573 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.285 8.495 5.921 1.00 1.29 H new ATOM 0 HE1 MET A 52 3.965 5.556 2.498 1.00 0.31 H new ATOM 0 HE2 MET A 52 2.762 6.847 2.266 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.486 7.256 2.429 1.00 0.31 H new ATOM 386 N SER A 53 5.526 10.687 6.451 1.00 0.40 N ATOM 387 CA SER A 53 5.730 10.957 7.865 1.00 0.47 C ATOM 388 C SER A 53 6.135 12.415 8.090 1.00 0.50 C ATOM 389 O SER A 53 6.178 12.891 9.225 1.00 0.62 O ATOM 390 CB SER A 53 6.798 10.010 8.421 1.00 0.52 C ATOM 391 OG SER A 53 6.920 10.128 9.830 1.00 1.15 O ATOM 0 H SER A 53 6.264 10.128 6.022 1.00 0.40 H new ATOM 0 HA SER A 53 4.792 10.787 8.393 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.544 8.982 8.162 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.758 10.228 7.953 1.00 0.52 H new ATOM 0 HG SER A 53 6.771 11.060 10.094 1.00 1.15 H new ATOM 397 N SER A 54 6.422 13.121 7.006 1.00 0.49 N ATOM 398 CA SER A 54 6.789 14.525 7.084 1.00 0.53 C ATOM 399 C SER A 54 5.584 15.396 6.735 1.00 0.53 C ATOM 400 O SER A 54 5.630 16.623 6.846 1.00 0.53 O ATOM 401 CB SER A 54 7.956 14.816 6.133 1.00 0.60 C ATOM 402 OG SER A 54 8.376 16.167 6.225 1.00 1.30 O ATOM 0 H SER A 54 6.407 12.742 6.059 1.00 0.49 H new ATOM 0 HA SER A 54 7.105 14.757 8.101 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.792 14.157 6.369 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.656 14.596 5.109 1.00 0.60 H new ATOM 0 HG SER A 54 7.633 16.719 6.547 1.00 1.30 H new ATOM 408 N LEU A 55 4.503 14.745 6.329 1.00 0.54 N ATOM 409 CA LEU A 55 3.292 15.447 5.934 1.00 0.57 C ATOM 410 C LEU A 55 2.282 15.448 7.073 1.00 0.65 C ATOM 411 O LEU A 55 1.870 14.390 7.551 1.00 0.65 O ATOM 412 CB LEU A 55 2.676 14.807 4.687 1.00 0.51 C ATOM 413 CG LEU A 55 3.554 14.831 3.433 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.810 14.225 2.257 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.996 16.250 3.106 1.00 0.64 C ATOM 0 H LEU A 55 4.441 13.729 6.265 1.00 0.54 H new ATOM 0 HA LEU A 55 3.559 16.477 5.699 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.428 13.771 4.916 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.739 15.317 4.463 1.00 0.51 H new ATOM 0 HG LEU A 55 4.445 14.235 3.630 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.446 14.249 1.372 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.546 13.193 2.486 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.902 14.798 2.066 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.618 16.240 2.211 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.119 16.873 2.931 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.568 16.655 3.941 1.00 0.64 H new ATOM 427 N PRO A 56 1.859 16.641 7.514 1.00 0.81 N ATOM 428 CA PRO A 56 0.929 16.785 8.631 1.00 0.94 C ATOM 429 C PRO A 56 -0.513 16.501 8.221 1.00 0.88 C ATOM 430 O PRO A 56 -1.385 16.300 9.068 1.00 1.19 O ATOM 431 CB PRO A 56 1.099 18.246 9.038 1.00 1.14 C ATOM 432 CG PRO A 56 1.493 18.946 7.782 1.00 1.26 C ATOM 433 CD PRO A 56 2.255 17.947 6.952 1.00 0.98 C ATOM 0 HA PRO A 56 1.136 16.079 9.436 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.174 18.654 9.445 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.862 18.356 9.809 1.00 1.14 H new ATOM 0 HG2 PRO A 56 0.614 19.304 7.246 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.110 19.818 8.002 1.00 1.26 H new ATOM 0 HD2 PRO A 56 1.994 18.023 5.896 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.331 18.104 7.026 1.00 0.98 H new ATOM 441 N ASN A 57 -0.757 16.492 6.916 1.00 0.63 N ATOM 442 CA ASN A 57 -2.081 16.195 6.391 1.00 0.62 C ATOM 443 C ASN A 57 -2.211 14.704 6.107 1.00 0.57 C ATOM 444 O ASN A 57 -3.310 14.195 5.872 1.00 0.59 O ATOM 445 CB ASN A 57 -2.372 17.003 5.115 1.00 0.68 C ATOM 446 CG ASN A 57 -1.453 16.654 3.956 1.00 1.32 C ATOM 447 OD1 ASN A 57 -0.283 16.316 4.148 1.00 2.22 O ATOM 448 ND2 ASN A 57 -1.977 16.740 2.742 1.00 1.73 N ATOM 0 H ASN A 57 -0.054 16.687 6.203 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.813 16.482 7.146 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -3.405 16.832 4.814 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.276 18.066 5.337 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -1.408 16.523 1.924 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -2.950 17.024 2.625 1.00 1.73 H new ATOM 455 N PHE A 58 -1.082 13.999 6.133 1.00 0.62 N ATOM 456 CA PHE A 58 -1.082 12.560 5.921 1.00 0.70 C ATOM 457 C PHE A 58 -1.538 11.854 7.185 1.00 0.90 C ATOM 458 O PHE A 58 -0.740 11.336 7.966 1.00 1.77 O ATOM 459 CB PHE A 58 0.291 12.055 5.519 1.00 0.69 C ATOM 460 CG PHE A 58 0.290 10.614 5.088 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.135 10.258 3.820 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.712 9.617 5.953 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.139 8.935 3.421 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.709 8.295 5.560 1.00 1.15 C ATOM 465 CZ PHE A 58 0.283 7.953 4.292 1.00 0.69 C ATOM 0 H PHE A 58 -0.160 14.403 6.299 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.772 12.342 5.106 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.673 12.671 4.705 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.976 12.176 6.359 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.467 11.023 3.134 1.00 0.89 H new ATOM 0 HD2 PHE A 58 1.047 9.878 6.946 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.472 8.671 2.428 1.00 0.90 H new ATOM 0 HE2 PHE A 58 1.040 7.527 6.244 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.280 6.918 3.983 1.00 0.69 H new ATOM 475 N SER A 59 -2.830 11.864 7.360 1.00 0.91 N ATOM 476 CA SER A 59 -3.505 11.254 8.498 1.00 1.02 C ATOM 477 C SER A 59 -4.996 11.204 8.190 1.00 1.10 C ATOM 478 O SER A 59 -5.664 10.195 8.412 1.00 1.84 O ATOM 479 CB SER A 59 -3.276 12.056 9.792 1.00 1.21 C ATOM 480 OG SER A 59 -1.902 12.129 10.138 1.00 1.84 O ATOM 0 H SER A 59 -3.471 12.307 6.702 1.00 0.91 H new ATOM 0 HA SER A 59 -3.101 10.254 8.655 1.00 1.02 H new ATOM 0 HB2 SER A 59 -3.672 13.064 9.668 1.00 1.21 H new ATOM 0 HB3 SER A 59 -3.831 11.593 10.608 1.00 1.21 H new ATOM 0 HG SER A 59 -1.387 11.527 9.561 1.00 1.84 H new ATOM 486 N GLY A 60 -5.490 12.312 7.650 1.00 0.91 N ATOM 487 CA GLY A 60 -6.883 12.412 7.284 1.00 0.87 C ATOM 488 C GLY A 60 -7.118 12.145 5.810 1.00 0.66 C ATOM 489 O GLY A 60 -8.153 11.590 5.440 1.00 0.73 O ATOM 0 H GLY A 60 -4.940 13.150 7.459 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -7.462 11.703 7.875 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -7.250 13.408 7.532 1.00 0.87 H new ATOM 493 N ILE A 61 -6.155 12.528 4.970 1.00 0.50 N ATOM 494 CA ILE A 61 -6.310 12.397 3.523 1.00 0.54 C ATOM 495 C ILE A 61 -6.486 10.944 3.088 1.00 0.73 C ATOM 496 O ILE A 61 -7.420 10.633 2.349 1.00 1.81 O ATOM 497 CB ILE A 61 -5.145 13.045 2.735 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.779 12.549 3.230 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.230 14.561 2.825 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.604 13.246 2.572 1.00 0.78 C ATOM 0 H ILE A 61 -5.265 12.929 5.266 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.223 12.942 3.282 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.241 12.746 1.691 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.719 12.694 4.309 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.703 11.477 3.047 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -4.406 15.005 2.267 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -6.177 14.898 2.403 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.168 14.868 3.869 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.673 12.844 2.971 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -2.639 13.080 1.495 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -2.655 14.316 2.776 1.00 0.78 H new ATOM 512 N PHE A 62 -5.613 10.050 3.536 1.00 0.58 N ATOM 513 CA PHE A 62 -5.732 8.644 3.184 1.00 0.50 C ATOM 514 C PHE A 62 -5.884 7.810 4.448 1.00 0.51 C ATOM 515 O PHE A 62 -5.320 8.144 5.491 1.00 0.76 O ATOM 516 CB PHE A 62 -4.493 8.179 2.421 1.00 0.50 C ATOM 517 CG PHE A 62 -4.061 9.099 1.315 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.868 9.326 0.213 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.831 9.725 1.376 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.454 10.161 -0.804 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.413 10.562 0.365 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.224 10.781 -0.726 1.00 0.59 C ATOM 0 H PHE A 62 -4.821 10.273 4.139 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.609 8.517 2.550 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.669 8.066 3.126 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -4.690 7.193 2.000 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.832 8.844 0.149 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -2.189 9.556 2.228 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.091 10.329 -1.659 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.450 11.046 0.428 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.898 11.437 -1.519 1.00 0.59 H new ATOM 532 N THR A 63 -6.641 6.729 4.343 1.00 0.34 N ATOM 533 CA THR A 63 -6.941 5.879 5.484 1.00 0.38 C ATOM 534 C THR A 63 -5.918 4.750 5.655 1.00 0.30 C ATOM 535 O THR A 63 -5.235 4.667 6.676 1.00 0.38 O ATOM 536 CB THR A 63 -8.339 5.255 5.324 1.00 0.48 C ATOM 537 OG1 THR A 63 -9.262 6.244 4.852 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.834 4.674 6.640 1.00 0.66 C ATOM 0 H THR A 63 -7.063 6.417 3.468 1.00 0.34 H new ATOM 0 HA THR A 63 -6.902 6.514 6.369 1.00 0.38 H new ATOM 0 HB THR A 63 -8.269 4.445 4.598 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.103 6.412 3.900 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.824 4.240 6.497 1.00 0.66 H new ATOM 0 HG22 THR A 63 -8.144 3.901 6.979 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.889 5.464 7.389 1.00 0.66 H new ATOM 546 N HIS A 64 -5.827 3.881 4.654 1.00 0.26 N ATOM 547 CA HIS A 64 -5.058 2.635 4.775 1.00 0.25 C ATOM 548 C HIS A 64 -3.627 2.765 4.261 1.00 0.25 C ATOM 549 O HIS A 64 -2.806 1.872 4.478 1.00 0.54 O ATOM 550 CB HIS A 64 -5.756 1.497 4.034 1.00 0.33 C ATOM 551 CG HIS A 64 -7.110 1.164 4.572 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.306 0.443 5.726 1.00 0.86 N ATOM 553 CD2 HIS A 64 -8.342 1.450 4.098 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.597 0.294 5.938 1.00 0.83 C ATOM 555 NE2 HIS A 64 -9.253 0.898 4.964 1.00 0.68 N ATOM 0 H HIS A 64 -6.275 4.011 3.747 1.00 0.26 H new ATOM 0 HA HIS A 64 -5.007 2.413 5.841 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.850 1.766 2.982 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.128 0.607 4.081 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.565 0.079 6.326 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -8.569 2.010 3.203 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -9.044 -0.233 6.768 1.00 0.83 H new ATOM 564 N LEU A 65 -3.338 3.867 3.583 1.00 0.32 N ATOM 565 CA LEU A 65 -2.096 4.012 2.817 1.00 0.22 C ATOM 566 C LEU A 65 -0.844 3.848 3.683 1.00 0.20 C ATOM 567 O LEU A 65 0.094 3.156 3.288 1.00 0.24 O ATOM 568 CB LEU A 65 -2.074 5.371 2.103 1.00 0.29 C ATOM 569 CG LEU A 65 -2.822 5.437 0.758 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.044 4.717 -0.329 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.213 4.840 0.870 1.00 0.99 C ATOM 0 H LEU A 65 -3.949 4.683 3.545 1.00 0.32 H new ATOM 0 HA LEU A 65 -2.078 3.209 2.080 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.502 6.118 2.772 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -1.035 5.653 1.933 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.916 6.490 0.491 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.592 4.777 -1.269 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.067 5.185 -0.448 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -1.914 3.671 -0.051 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.714 4.902 -0.096 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.137 3.796 1.173 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.788 5.393 1.613 1.00 0.99 H new ATOM 583 N GLU A 66 -0.833 4.478 4.854 1.00 0.30 N ATOM 584 CA GLU A 66 0.328 4.430 5.743 1.00 0.40 C ATOM 585 C GLU A 66 0.716 2.993 6.087 1.00 0.38 C ATOM 586 O GLU A 66 1.852 2.572 5.855 1.00 0.38 O ATOM 587 CB GLU A 66 0.040 5.200 7.033 1.00 0.53 C ATOM 588 CG GLU A 66 1.228 5.263 7.978 1.00 0.88 C ATOM 589 CD GLU A 66 0.889 5.931 9.291 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.248 5.281 10.144 1.00 1.75 O ATOM 591 OE2 GLU A 66 1.277 7.100 9.487 1.00 1.75 O ATOM 0 H GLU A 66 -1.614 5.028 5.211 1.00 0.30 H new ATOM 0 HA GLU A 66 1.162 4.893 5.215 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.268 6.215 6.780 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.799 4.731 7.547 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.589 4.253 8.171 1.00 0.88 H new ATOM 0 HG3 GLU A 66 2.042 5.806 7.497 1.00 0.88 H new ATOM 598 N ARG A 67 -0.230 2.244 6.638 1.00 0.42 N ATOM 599 CA ARG A 67 0.045 0.884 7.076 1.00 0.44 C ATOM 600 C ARG A 67 0.392 -0.020 5.903 1.00 0.39 C ATOM 601 O ARG A 67 1.050 -1.040 6.081 1.00 0.40 O ATOM 602 CB ARG A 67 -1.126 0.298 7.867 1.00 0.54 C ATOM 603 CG ARG A 67 -0.825 -1.081 8.444 1.00 0.74 C ATOM 604 CD ARG A 67 -1.822 -1.476 9.521 1.00 0.86 C ATOM 605 NE ARG A 67 -3.188 -1.585 9.016 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.270 -1.525 9.792 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.145 -1.305 11.095 1.00 1.71 N ATOM 608 NH2 ARG A 67 -5.476 -1.674 9.266 1.00 2.07 N ATOM 0 H ARG A 67 -1.190 2.554 6.791 1.00 0.42 H new ATOM 0 HA ARG A 67 0.910 0.935 7.737 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.384 0.977 8.679 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -1.999 0.231 7.217 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.843 -1.821 7.644 1.00 0.74 H new ATOM 0 HG3 ARG A 67 0.182 -1.088 8.862 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -1.523 -2.430 9.954 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -1.794 -0.739 10.323 1.00 0.86 H new ATOM 0 HE ARG A 67 -3.322 -1.714 8.013 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -3.219 -1.181 11.505 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -4.975 -1.260 11.686 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -5.579 -1.835 8.264 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -6.302 -1.628 9.863 1.00 2.07 H new ATOM 622 N LEU A 68 -0.018 0.354 4.701 1.00 0.35 N ATOM 623 CA LEU A 68 0.307 -0.445 3.528 1.00 0.34 C ATOM 624 C LEU A 68 1.797 -0.375 3.210 1.00 0.31 C ATOM 625 O LEU A 68 2.329 -1.248 2.532 1.00 0.40 O ATOM 626 CB LEU A 68 -0.534 -0.040 2.316 1.00 0.33 C ATOM 627 CG LEU A 68 -1.988 -0.513 2.358 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.635 -0.359 0.994 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.072 -1.957 2.827 1.00 0.61 C ATOM 0 H LEU A 68 -0.568 1.192 4.512 1.00 0.35 H new ATOM 0 HA LEU A 68 0.061 -1.481 3.763 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.522 1.047 2.230 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -0.064 -0.436 1.416 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.529 0.109 3.071 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.669 -0.700 1.041 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.612 0.689 0.697 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.089 -0.956 0.263 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.115 -2.272 2.849 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.515 -2.595 2.141 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.647 -2.040 3.827 1.00 0.61 H new ATOM 641 N LEU A 69 2.477 0.638 3.737 1.00 0.27 N ATOM 642 CA LEU A 69 3.931 0.698 3.622 1.00 0.24 C ATOM 643 C LEU A 69 4.552 -0.106 4.754 1.00 0.25 C ATOM 644 O LEU A 69 5.534 -0.836 4.572 1.00 0.26 O ATOM 645 CB LEU A 69 4.465 2.137 3.664 1.00 0.25 C ATOM 646 CG LEU A 69 4.387 2.928 2.354 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.697 3.637 2.090 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.042 2.030 1.185 1.00 0.30 C ATOM 0 H LEU A 69 2.054 1.418 4.240 1.00 0.27 H new ATOM 0 HA LEU A 69 4.204 0.279 2.653 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.913 2.685 4.428 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.507 2.106 3.984 1.00 0.25 H new ATOM 0 HG LEU A 69 3.593 3.667 2.460 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.627 4.195 1.156 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.910 4.325 2.908 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.499 2.903 2.015 1.00 0.25 H new ATOM 0 HD21 LEU A 69 3.995 2.623 0.272 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.807 1.261 1.079 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.075 1.558 1.361 1.00 0.30 H new ATOM 660 N ASP A 70 3.929 -0.030 5.918 1.00 0.29 N ATOM 661 CA ASP A 70 4.453 -0.726 7.075 1.00 0.35 C ATOM 662 C ASP A 70 4.371 -2.214 6.814 1.00 0.38 C ATOM 663 O ASP A 70 5.254 -2.975 7.190 1.00 0.43 O ATOM 664 CB ASP A 70 3.688 -0.361 8.346 1.00 0.43 C ATOM 665 CG ASP A 70 4.183 -1.135 9.551 1.00 0.91 C ATOM 666 OD1 ASP A 70 5.319 -0.882 9.998 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.441 -1.998 10.061 1.00 1.56 O ATOM 0 H ASP A 70 3.073 0.499 6.084 1.00 0.29 H new ATOM 0 HA ASP A 70 5.489 -0.427 7.233 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.789 0.708 8.535 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.626 -0.559 8.199 1.00 0.43 H new ATOM 672 N GLU A 71 3.295 -2.623 6.164 1.00 0.42 N ATOM 673 CA GLU A 71 3.144 -3.972 5.661 1.00 0.50 C ATOM 674 C GLU A 71 4.136 -4.297 4.550 1.00 0.45 C ATOM 675 O GLU A 71 4.977 -5.185 4.697 1.00 0.48 O ATOM 676 CB GLU A 71 1.734 -4.123 5.115 1.00 0.61 C ATOM 677 CG GLU A 71 0.662 -4.192 6.186 1.00 0.94 C ATOM 678 CD GLU A 71 0.966 -5.222 7.248 1.00 1.47 C ATOM 679 OE1 GLU A 71 0.762 -6.421 6.988 1.00 2.14 O ATOM 680 OE2 GLU A 71 1.412 -4.834 8.346 1.00 2.18 O ATOM 0 H GLU A 71 2.496 -2.020 5.970 1.00 0.42 H new ATOM 0 HA GLU A 71 3.336 -4.660 6.484 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.519 -3.283 4.454 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.685 -5.027 4.508 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.558 -3.213 6.654 1.00 0.94 H new ATOM 0 HG3 GLU A 71 -0.296 -4.427 5.721 1.00 0.94 H new ATOM 687 N GLU A 72 4.038 -3.554 3.451 1.00 0.43 N ATOM 688 CA GLU A 72 4.797 -3.856 2.239 1.00 0.45 C ATOM 689 C GLU A 72 6.293 -3.764 2.505 1.00 0.42 C ATOM 690 O GLU A 72 7.044 -4.683 2.207 1.00 0.47 O ATOM 691 CB GLU A 72 4.420 -2.889 1.113 1.00 0.46 C ATOM 692 CG GLU A 72 5.103 -3.194 -0.211 1.00 0.57 C ATOM 693 CD GLU A 72 4.493 -4.378 -0.934 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.137 -4.231 -2.120 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.358 -5.462 -0.322 1.00 1.33 O ATOM 0 H GLU A 72 3.437 -2.734 3.374 1.00 0.43 H new ATOM 0 HA GLU A 72 4.551 -4.873 1.935 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.340 -2.917 0.969 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.675 -1.874 1.418 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.047 -2.315 -0.853 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.160 -3.390 -0.031 1.00 0.57 H new ATOM 702 N ILE A 73 6.700 -2.665 3.119 1.00 0.35 N ATOM 703 CA ILE A 73 8.112 -2.408 3.383 1.00 0.34 C ATOM 704 C ILE A 73 8.680 -3.505 4.255 1.00 0.40 C ATOM 705 O ILE A 73 9.750 -4.049 3.976 1.00 0.45 O ATOM 706 CB ILE A 73 8.329 -1.036 4.069 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.134 0.088 3.056 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.708 -0.946 4.715 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.341 1.471 3.628 1.00 0.27 C ATOM 0 H ILE A 73 6.071 -1.931 3.446 1.00 0.35 H new ATOM 0 HA ILE A 73 8.629 -2.390 2.424 1.00 0.34 H new ATOM 0 HB ILE A 73 7.590 -0.932 4.863 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.827 -0.059 2.227 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.127 0.023 2.645 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.826 0.030 5.187 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.809 -1.728 5.468 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.476 -1.075 3.953 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.185 2.215 2.847 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.631 1.640 4.437 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.357 1.557 4.013 1.00 0.27 H new ATOM 721 N SER A 74 7.941 -3.850 5.292 1.00 0.41 N ATOM 722 CA SER A 74 8.386 -4.898 6.205 1.00 0.49 C ATOM 723 C SER A 74 8.462 -6.265 5.507 1.00 0.54 C ATOM 724 O SER A 74 9.404 -7.020 5.730 1.00 0.60 O ATOM 725 CB SER A 74 7.479 -4.978 7.431 1.00 0.52 C ATOM 726 OG SER A 74 7.517 -3.768 8.172 1.00 1.34 O ATOM 0 H SER A 74 7.041 -3.430 5.526 1.00 0.41 H new ATOM 0 HA SER A 74 9.391 -4.633 6.533 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.456 -5.185 7.118 1.00 0.52 H new ATOM 0 HB3 SER A 74 7.792 -5.807 8.066 1.00 0.52 H new ATOM 0 HG SER A 74 6.908 -3.116 7.766 1.00 1.34 H new ATOM 732 N ARG A 75 7.510 -6.558 4.622 1.00 0.55 N ATOM 733 CA ARG A 75 7.454 -7.884 3.999 1.00 0.63 C ATOM 734 C ARG A 75 8.503 -7.998 2.892 1.00 0.65 C ATOM 735 O ARG A 75 9.103 -9.057 2.702 1.00 0.72 O ATOM 736 CB ARG A 75 6.059 -8.205 3.446 1.00 0.74 C ATOM 737 CG ARG A 75 5.685 -7.413 2.208 1.00 0.76 C ATOM 738 CD ARG A 75 4.379 -7.891 1.604 1.00 1.25 C ATOM 739 NE ARG A 75 3.252 -7.746 2.522 1.00 1.84 N ATOM 740 CZ ARG A 75 2.240 -6.905 2.323 1.00 2.73 C ATOM 741 NH1 ARG A 75 2.263 -6.055 1.300 1.00 3.05 N ATOM 742 NH2 ARG A 75 1.217 -6.895 3.166 1.00 3.67 N ATOM 0 H ARG A 75 6.780 -5.911 4.323 1.00 0.55 H new ATOM 0 HA ARG A 75 7.672 -8.616 4.777 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.009 -9.269 3.212 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.319 -8.014 4.223 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.601 -6.357 2.464 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.480 -7.499 1.468 1.00 0.76 H new ATOM 0 HD2 ARG A 75 4.176 -7.328 0.693 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.477 -8.938 1.317 1.00 1.25 H new ATOM 0 HE ARG A 75 3.240 -8.322 3.364 1.00 1.84 H new ATOM 0 HH11 ARG A 75 3.059 -6.045 0.663 1.00 3.05 H new ATOM 0 HH12 ARG A 75 1.484 -5.413 1.153 1.00 3.05 H new ATOM 0 HH21 ARG A 75 1.207 -7.530 3.964 1.00 3.67 H new ATOM 0 HH22 ARG A 75 0.440 -6.252 3.017 1.00 3.67 H new ATOM 756 N VAL A 76 8.735 -6.893 2.185 1.00 0.62 N ATOM 757 CA VAL A 76 9.754 -6.830 1.140 1.00 0.67 C ATOM 758 C VAL A 76 11.129 -7.170 1.714 1.00 0.71 C ATOM 759 O VAL A 76 11.984 -7.730 1.031 1.00 0.84 O ATOM 760 CB VAL A 76 9.789 -5.425 0.479 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.999 -5.261 -0.422 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.513 -5.166 -0.312 1.00 0.58 C ATOM 0 H VAL A 76 8.224 -6.020 2.320 1.00 0.62 H new ATOM 0 HA VAL A 76 9.496 -7.564 0.376 1.00 0.67 H new ATOM 0 HB VAL A 76 9.862 -4.692 1.283 1.00 0.61 H new ATOM 0 HG11 VAL A 76 10.989 -4.266 -0.867 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.909 -5.388 0.164 1.00 0.64 H new ATOM 0 HG13 VAL A 76 10.969 -6.012 -1.212 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.561 -4.176 -0.766 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.410 -5.919 -1.094 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.654 -5.218 0.357 1.00 0.58 H new ATOM 772 N ARG A 77 11.312 -6.861 2.991 1.00 0.65 N ATOM 773 CA ARG A 77 12.579 -7.101 3.666 1.00 0.73 C ATOM 774 C ARG A 77 12.839 -8.596 3.849 1.00 0.86 C ATOM 775 O ARG A 77 13.970 -9.055 3.694 1.00 0.98 O ATOM 776 CB ARG A 77 12.600 -6.395 5.018 1.00 0.75 C ATOM 777 CG ARG A 77 12.628 -4.881 4.910 1.00 0.81 C ATOM 778 CD ARG A 77 12.584 -4.227 6.281 1.00 0.84 C ATOM 779 NE ARG A 77 13.679 -4.685 7.137 1.00 1.39 N ATOM 780 CZ ARG A 77 14.033 -4.100 8.279 1.00 1.71 C ATOM 781 NH1 ARG A 77 13.378 -3.029 8.717 1.00 1.45 N ATOM 782 NH2 ARG A 77 15.046 -4.590 8.984 1.00 2.73 N ATOM 0 H ARG A 77 10.594 -6.441 3.582 1.00 0.65 H new ATOM 0 HA ARG A 77 13.373 -6.696 3.039 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.721 -6.694 5.589 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.473 -6.728 5.579 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.531 -4.569 4.385 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.780 -4.541 4.316 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.639 -3.144 6.169 1.00 0.84 H new ATOM 0 HD3 ARG A 77 11.631 -4.450 6.760 1.00 0.84 H new ATOM 0 HE ARG A 77 14.205 -5.506 6.839 1.00 1.39 H new ATOM 0 HH11 ARG A 77 12.599 -2.651 8.177 1.00 1.45 H new ATOM 0 HH12 ARG A 77 13.654 -2.585 9.593 1.00 1.45 H new ATOM 0 HH21 ARG A 77 15.550 -5.412 8.650 1.00 2.73 H new ATOM 0 HH22 ARG A 77 15.321 -4.145 9.860 1.00 2.73 H new ATOM 796 N LYS A 78 11.795 -9.353 4.178 1.00 0.90 N ATOM 797 CA LYS A 78 11.932 -10.797 4.344 1.00 1.08 C ATOM 798 C LYS A 78 11.966 -11.463 2.988 1.00 1.11 C ATOM 799 O LYS A 78 12.682 -12.440 2.778 1.00 1.32 O ATOM 800 CB LYS A 78 10.783 -11.388 5.168 1.00 1.13 C ATOM 801 CG LYS A 78 10.797 -10.984 6.628 1.00 1.35 C ATOM 802 CD LYS A 78 10.244 -9.588 6.794 1.00 2.01 C ATOM 803 CE LYS A 78 10.613 -8.986 8.142 1.00 2.67 C ATOM 804 NZ LYS A 78 10.036 -9.759 9.274 1.00 3.44 N ATOM 0 H LYS A 78 10.853 -8.994 4.334 1.00 0.90 H new ATOM 0 HA LYS A 78 12.863 -10.981 4.881 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.836 -11.078 4.726 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.825 -12.475 5.103 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.205 -11.688 7.212 1.00 1.35 H new ATOM 0 HG3 LYS A 78 11.816 -11.027 7.014 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.624 -8.950 5.996 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.159 -9.613 6.693 1.00 2.01 H new ATOM 0 HE2 LYS A 78 11.698 -8.955 8.240 1.00 2.67 H new ATOM 0 HE3 LYS A 78 10.259 -7.956 8.188 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 10.254 -9.278 10.170 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 9.005 -9.826 9.159 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 10.445 -10.715 9.286 1.00 3.44 H new ATOM 818 N ASP A 79 11.178 -10.923 2.073 1.00 1.01 N ATOM 819 CA ASP A 79 11.113 -11.429 0.695 1.00 1.19 C ATOM 820 C ASP A 79 12.478 -11.375 -0.005 1.00 1.41 C ATOM 821 O ASP A 79 12.653 -11.935 -1.088 1.00 1.67 O ATOM 822 CB ASP A 79 10.081 -10.642 -0.115 1.00 1.23 C ATOM 823 CG ASP A 79 9.683 -11.351 -1.396 1.00 1.58 C ATOM 824 OD1 ASP A 79 10.293 -11.088 -2.454 1.00 2.21 O ATOM 825 OD2 ASP A 79 8.751 -12.181 -1.352 1.00 1.94 O ATOM 0 H ASP A 79 10.566 -10.127 2.254 1.00 1.01 H new ATOM 0 HA ASP A 79 10.810 -12.475 0.751 1.00 1.19 H new ATOM 0 HB2 ASP A 79 9.193 -10.477 0.496 1.00 1.23 H new ATOM 0 HB3 ASP A 79 10.487 -9.660 -0.358 1.00 1.23 H new ATOM 830 N MET A 80 13.456 -10.740 0.634 1.00 1.50 N ATOM 831 CA MET A 80 14.801 -10.647 0.075 1.00 1.83 C ATOM 832 C MET A 80 15.493 -12.001 0.165 1.00 2.15 C ATOM 833 O MET A 80 16.393 -12.311 -0.616 1.00 2.62 O ATOM 834 CB MET A 80 15.631 -9.599 0.820 1.00 2.04 C ATOM 835 CG MET A 80 15.101 -8.183 0.686 1.00 1.57 C ATOM 836 SD MET A 80 15.113 -7.594 -1.017 1.00 1.42 S ATOM 837 CE MET A 80 14.516 -5.923 -0.790 1.00 0.99 C ATOM 0 H MET A 80 13.343 -10.282 1.539 1.00 1.50 H new ATOM 0 HA MET A 80 14.717 -10.346 -0.969 1.00 1.83 H new ATOM 0 HB2 MET A 80 15.668 -9.864 1.877 1.00 2.04 H new ATOM 0 HB3 MET A 80 16.655 -9.630 0.448 1.00 2.04 H new ATOM 0 HG2 MET A 80 14.083 -8.142 1.073 1.00 1.57 H new ATOM 0 HG3 MET A 80 15.703 -7.514 1.302 1.00 1.57 H new ATOM 0 HE1 MET A 80 13.677 -5.742 -1.462 1.00 0.99 H new ATOM 0 HE2 MET A 80 14.190 -5.790 0.242 1.00 0.99 H new ATOM 0 HE3 MET A 80 15.317 -5.217 -1.011 1.00 0.99 H new ATOM 847 N TYR A 81 15.057 -12.800 1.128 1.00 2.56 N ATOM 848 CA TYR A 81 15.608 -14.127 1.343 1.00 3.12 C ATOM 849 C TYR A 81 14.484 -15.154 1.463 1.00 3.69 C ATOM 850 O TYR A 81 14.113 -15.519 2.594 1.00 4.24 O ATOM 851 CB TYR A 81 16.511 -14.140 2.591 1.00 3.70 C ATOM 852 CG TYR A 81 16.116 -13.140 3.662 1.00 4.11 C ATOM 853 CD1 TYR A 81 16.700 -11.879 3.705 1.00 4.28 C ATOM 854 CD2 TYR A 81 15.161 -13.449 4.623 1.00 4.77 C ATOM 855 CE1 TYR A 81 16.344 -10.959 4.670 1.00 4.93 C ATOM 856 CE2 TYR A 81 14.801 -12.533 5.594 1.00 5.51 C ATOM 857 CZ TYR A 81 15.394 -11.289 5.612 1.00 5.52 C ATOM 858 OH TYR A 81 15.029 -10.370 6.570 1.00 6.40 O ATOM 859 OXT TYR A 81 13.949 -15.571 0.414 1.00 4.07 O ATOM 0 H TYR A 81 14.314 -12.547 1.779 1.00 2.56 H new ATOM 0 HA TYR A 81 16.222 -14.397 0.484 1.00 3.12 H new ATOM 0 HB2 TYR A 81 16.498 -15.141 3.023 1.00 3.70 H new ATOM 0 HB3 TYR A 81 17.537 -13.938 2.284 1.00 3.70 H new ATOM 0 HD1 TYR A 81 17.446 -11.615 2.970 1.00 4.28 H new ATOM 0 HD2 TYR A 81 14.692 -14.422 4.611 1.00 4.77 H new ATOM 0 HE1 TYR A 81 16.808 -9.984 4.687 1.00 4.93 H new ATOM 0 HE2 TYR A 81 14.059 -12.791 6.335 1.00 5.51 H new ATOM 0 HH TYR A 81 14.348 -10.761 7.156 1.00 6.40 H new TER 869 TYR A 81 ATOM 870 N GLY B -2 10.937 -5.427 16.930 1.00 7.36 N ATOM 871 CA GLY B -2 9.742 -4.754 16.374 1.00 7.05 C ATOM 872 C GLY B -2 8.900 -5.697 15.544 1.00 6.50 C ATOM 873 O GLY B -2 9.393 -6.303 14.591 1.00 6.41 O ATOM 0 H1 GLY B -2 11.488 -4.747 17.492 1.00 7.36 H new ATOM 0 H2 GLY B -2 10.639 -6.218 17.537 1.00 7.36 H new ATOM 0 H3 GLY B -2 11.525 -5.789 16.152 1.00 7.36 H new ATOM 0 HA2 GLY B -2 9.140 -4.351 17.189 1.00 7.05 H new ATOM 0 HA3 GLY B -2 10.054 -3.909 15.760 1.00 7.05 H new ATOM 879 N SER B -1 7.634 -5.833 15.910 1.00 6.41 N ATOM 880 CA SER B -1 6.718 -6.703 15.195 1.00 6.10 C ATOM 881 C SER B -1 5.286 -6.196 15.324 1.00 5.79 C ATOM 882 O SER B -1 4.944 -5.518 16.297 1.00 6.09 O ATOM 883 CB SER B -1 6.838 -8.135 15.727 1.00 6.39 C ATOM 884 OG SER B -1 6.840 -8.161 17.149 1.00 6.64 O ATOM 0 H SER B -1 7.217 -5.347 16.704 1.00 6.41 H new ATOM 0 HA SER B -1 6.981 -6.700 14.137 1.00 6.10 H new ATOM 0 HB2 SER B -1 6.009 -8.735 15.352 1.00 6.39 H new ATOM 0 HB3 SER B -1 7.755 -8.589 15.352 1.00 6.39 H new ATOM 0 HG SER B -1 6.916 -9.088 17.459 1.00 6.64 H new ATOM 890 N LYS B 32 4.460 -6.513 14.337 1.00 5.47 N ATOM 891 CA LYS B 32 3.071 -6.072 14.323 1.00 5.31 C ATOM 892 C LYS B 32 2.163 -7.160 13.760 1.00 4.83 C ATOM 893 O LYS B 32 2.636 -8.201 13.299 1.00 4.65 O ATOM 894 CB LYS B 32 2.928 -4.773 13.513 1.00 5.58 C ATOM 895 CG LYS B 32 3.755 -4.720 12.229 1.00 6.01 C ATOM 896 CD LYS B 32 3.340 -5.781 11.221 1.00 6.39 C ATOM 897 CE LYS B 32 4.167 -5.695 9.952 1.00 7.09 C ATOM 898 NZ LYS B 32 3.867 -4.462 9.184 1.00 7.47 N ATOM 0 H LYS B 32 4.729 -7.077 13.531 1.00 5.47 H new ATOM 0 HA LYS B 32 2.764 -5.874 15.350 1.00 5.31 H new ATOM 0 HB2 LYS B 32 1.877 -4.636 13.257 1.00 5.58 H new ATOM 0 HB3 LYS B 32 3.214 -3.934 14.147 1.00 5.58 H new ATOM 0 HG2 LYS B 32 3.653 -3.734 11.776 1.00 6.01 H new ATOM 0 HG3 LYS B 32 4.809 -4.850 12.475 1.00 6.01 H new ATOM 0 HD2 LYS B 32 3.454 -6.770 11.664 1.00 6.39 H new ATOM 0 HD3 LYS B 32 2.284 -5.660 10.978 1.00 6.39 H new ATOM 0 HE2 LYS B 32 5.227 -5.717 10.206 1.00 7.09 H new ATOM 0 HE3 LYS B 32 3.971 -6.568 9.330 1.00 7.09 H new ATOM 0 HZ1 LYS B 32 4.674 -4.231 8.569 1.00 7.47 H new ATOM 0 HZ2 LYS B 32 3.020 -4.614 8.601 1.00 7.47 H new ATOM 0 HZ3 LYS B 32 3.697 -3.675 9.843 1.00 7.47 H new ATOM 912 N GLU B 33 0.863 -6.913 13.797 1.00 4.82 N ATOM 913 CA GLU B 33 -0.115 -7.856 13.277 1.00 4.46 C ATOM 914 C GLU B 33 -0.656 -7.379 11.941 1.00 4.00 C ATOM 915 O GLU B 33 -1.157 -6.258 11.832 1.00 4.07 O ATOM 916 CB GLU B 33 -1.272 -8.021 14.257 1.00 4.70 C ATOM 917 CG GLU B 33 -0.874 -8.629 15.586 1.00 4.79 C ATOM 918 CD GLU B 33 -2.031 -8.689 16.556 1.00 4.98 C ATOM 919 OE1 GLU B 33 -2.966 -9.482 16.324 1.00 5.29 O ATOM 920 OE2 GLU B 33 -2.008 -7.948 17.559 1.00 5.19 O ATOM 0 H GLU B 33 0.458 -6.061 14.185 1.00 4.82 H new ATOM 0 HA GLU B 33 0.383 -8.816 13.142 1.00 4.46 H new ATOM 0 HB2 GLU B 33 -1.724 -7.046 14.437 1.00 4.70 H new ATOM 0 HB3 GLU B 33 -2.037 -8.647 13.798 1.00 4.70 H new ATOM 0 HG2 GLU B 33 -0.487 -9.635 15.422 1.00 4.79 H new ATOM 0 HG3 GLU B 33 -0.065 -8.044 16.024 1.00 4.79 H new ATOM 927 N LYS B 34 -0.545 -8.224 10.930 1.00 3.73 N ATOM 928 CA LYS B 34 -1.058 -7.903 9.606 1.00 3.44 C ATOM 929 C LYS B 34 -2.588 -7.817 9.636 1.00 3.03 C ATOM 930 O LYS B 34 -3.258 -8.645 10.261 1.00 3.00 O ATOM 931 CB LYS B 34 -0.591 -8.940 8.568 1.00 3.71 C ATOM 932 CG LYS B 34 -1.320 -10.277 8.616 1.00 4.14 C ATOM 933 CD LYS B 34 -0.965 -11.089 9.853 1.00 4.59 C ATOM 934 CE LYS B 34 -1.751 -12.389 9.911 1.00 5.29 C ATOM 935 NZ LYS B 34 -3.216 -12.151 10.012 1.00 5.79 N ATOM 0 H LYS B 34 -0.103 -9.141 11.000 1.00 3.73 H new ATOM 0 HA LYS B 34 -0.661 -6.932 9.310 1.00 3.44 H new ATOM 0 HB2 LYS B 34 -0.712 -8.514 7.572 1.00 3.71 H new ATOM 0 HB3 LYS B 34 0.475 -9.120 8.711 1.00 3.71 H new ATOM 0 HG2 LYS B 34 -2.396 -10.102 8.596 1.00 4.14 H new ATOM 0 HG3 LYS B 34 -1.075 -10.853 7.724 1.00 4.14 H new ATOM 0 HD2 LYS B 34 0.103 -11.308 9.852 1.00 4.59 H new ATOM 0 HD3 LYS B 34 -1.168 -10.500 10.747 1.00 4.59 H new ATOM 0 HE2 LYS B 34 -1.540 -12.980 9.020 1.00 5.29 H new ATOM 0 HE3 LYS B 34 -1.419 -12.975 10.768 1.00 5.29 H new ATOM 0 HZ1 LYS B 34 -3.691 -13.030 10.302 1.00 5.79 H new ATOM 0 HZ2 LYS B 34 -3.399 -11.409 10.718 1.00 5.79 H new ATOM 0 HZ3 LYS B 34 -3.583 -11.848 9.087 1.00 5.79 H new ATOM 949 N PRO B 35 -3.151 -6.797 8.977 1.00 2.88 N ATOM 950 CA PRO B 35 -4.593 -6.550 8.976 1.00 2.61 C ATOM 951 C PRO B 35 -5.366 -7.585 8.163 1.00 2.27 C ATOM 952 O PRO B 35 -4.820 -8.216 7.256 1.00 2.34 O ATOM 953 CB PRO B 35 -4.715 -5.167 8.334 1.00 2.80 C ATOM 954 CG PRO B 35 -3.508 -5.041 7.472 1.00 3.20 C ATOM 955 CD PRO B 35 -2.419 -5.808 8.171 1.00 3.15 C ATOM 0 HA PRO B 35 -5.014 -6.610 9.980 1.00 2.61 H new ATOM 0 HB2 PRO B 35 -5.630 -5.082 7.748 1.00 2.80 H new ATOM 0 HB3 PRO B 35 -4.746 -4.382 9.089 1.00 2.80 H new ATOM 0 HG2 PRO B 35 -3.694 -5.446 6.478 1.00 3.20 H new ATOM 0 HG3 PRO B 35 -3.228 -3.996 7.343 1.00 3.20 H new ATOM 0 HD2 PRO B 35 -1.748 -6.289 7.459 1.00 3.15 H new ATOM 0 HD3 PRO B 35 -1.808 -5.156 8.795 1.00 3.15 H new ATOM 963 N LYS B 36 -6.633 -7.759 8.499 1.00 2.08 N ATOM 964 CA LYS B 36 -7.481 -8.721 7.810 1.00 1.82 C ATOM 965 C LYS B 36 -8.384 -8.019 6.799 1.00 1.56 C ATOM 966 O LYS B 36 -9.077 -7.056 7.136 1.00 1.53 O ATOM 967 CB LYS B 36 -8.322 -9.514 8.817 1.00 1.80 C ATOM 968 CG LYS B 36 -9.154 -8.648 9.751 1.00 2.24 C ATOM 969 CD LYS B 36 -10.003 -9.482 10.697 1.00 2.52 C ATOM 970 CE LYS B 36 -9.151 -10.333 11.626 1.00 3.04 C ATOM 971 NZ LYS B 36 -8.285 -9.507 12.509 1.00 3.62 N ATOM 0 H LYS B 36 -7.100 -7.246 9.247 1.00 2.08 H new ATOM 0 HA LYS B 36 -6.838 -9.417 7.271 1.00 1.82 H new ATOM 0 HB2 LYS B 36 -8.987 -10.183 8.271 1.00 1.80 H new ATOM 0 HB3 LYS B 36 -7.659 -10.140 9.414 1.00 1.80 H new ATOM 0 HG2 LYS B 36 -8.494 -8.002 10.330 1.00 2.24 H new ATOM 0 HG3 LYS B 36 -9.800 -7.997 9.162 1.00 2.24 H new ATOM 0 HD2 LYS B 36 -10.639 -8.824 11.289 1.00 2.52 H new ATOM 0 HD3 LYS B 36 -10.664 -10.127 10.118 1.00 2.52 H new ATOM 0 HE2 LYS B 36 -9.799 -10.959 12.239 1.00 3.04 H new ATOM 0 HE3 LYS B 36 -8.528 -11.003 11.033 1.00 3.04 H new ATOM 0 HZ1 LYS B 36 -7.865 -10.109 13.245 1.00 3.62 H new ATOM 0 HZ2 LYS B 36 -7.528 -9.072 11.944 1.00 3.62 H new ATOM 0 HZ3 LYS B 36 -8.856 -8.761 12.956 1.00 3.62 H new ATOM 985 N PRO B 37 -8.355 -8.467 5.537 1.00 1.50 N ATOM 986 CA PRO B 37 -9.232 -7.938 4.485 1.00 1.33 C ATOM 987 C PRO B 37 -10.711 -8.112 4.822 1.00 1.15 C ATOM 988 O PRO B 37 -11.240 -9.225 4.822 1.00 1.28 O ATOM 989 CB PRO B 37 -8.863 -8.775 3.258 1.00 1.52 C ATOM 990 CG PRO B 37 -7.490 -9.273 3.537 1.00 1.75 C ATOM 991 CD PRO B 37 -7.442 -9.500 5.018 1.00 1.75 C ATOM 0 HA PRO B 37 -9.095 -6.866 4.343 1.00 1.33 H new ATOM 0 HB2 PRO B 37 -9.562 -9.600 3.117 1.00 1.52 H new ATOM 0 HB3 PRO B 37 -8.889 -8.176 2.348 1.00 1.52 H new ATOM 0 HG2 PRO B 37 -7.288 -10.195 2.992 1.00 1.75 H new ATOM 0 HG3 PRO B 37 -6.738 -8.548 3.226 1.00 1.75 H new ATOM 0 HD2 PRO B 37 -7.774 -10.504 5.284 1.00 1.75 H new ATOM 0 HD3 PRO B 37 -6.433 -9.383 5.413 1.00 1.75 H new ATOM 999 N THR B 38 -11.367 -7.004 5.117 1.00 0.97 N ATOM 1000 CA THR B 38 -12.786 -6.999 5.427 1.00 0.84 C ATOM 1001 C THR B 38 -13.494 -5.962 4.560 1.00 0.72 C ATOM 1002 O THR B 38 -12.825 -5.147 3.927 1.00 0.66 O ATOM 1003 CB THR B 38 -13.023 -6.675 6.917 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.334 -5.467 7.269 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.548 -7.814 7.807 1.00 0.95 C ATOM 0 H THR B 38 -10.931 -6.082 5.148 1.00 0.97 H new ATOM 0 HA THR B 38 -13.188 -7.991 5.221 1.00 0.84 H new ATOM 0 HB THR B 38 -14.094 -6.543 7.070 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.490 -5.266 8.215 1.00 0.85 H new ATOM 0 HG21 THR B 38 -12.727 -7.559 8.851 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.094 -8.723 7.557 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.482 -7.977 7.651 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.835 -5.968 4.483 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.563 -4.940 3.739 1.00 0.70 C ATOM 1015 C PRO B 39 -15.220 -3.539 4.230 1.00 0.62 C ATOM 1016 O PRO B 39 -14.961 -2.647 3.433 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.030 -5.258 3.999 1.00 0.78 C ATOM 1018 CG PRO B 39 -17.047 -6.701 4.372 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.741 -6.969 5.072 1.00 0.83 C ATOM 0 HA PRO B 39 -15.309 -4.949 2.679 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.433 -4.638 4.800 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.638 -5.071 3.114 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.891 -6.925 5.024 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -17.151 -7.330 3.488 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.830 -6.847 6.151 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.389 -7.985 4.894 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.186 -3.360 5.548 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.805 -2.076 6.140 1.00 0.64 C ATOM 1029 C ASP B 40 -13.430 -1.651 5.644 1.00 0.57 C ATOM 1030 O ASP B 40 -13.192 -0.482 5.337 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.792 -2.165 7.668 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.173 -2.366 8.253 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -16.841 -1.363 8.568 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -16.601 -3.530 8.402 1.00 2.16 O ATOM 0 H ASP B 40 -15.417 -4.085 6.227 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.543 -1.333 5.836 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.149 -2.990 7.974 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -14.358 -1.253 8.077 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.536 -2.623 5.561 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.191 -2.406 5.053 1.00 0.54 C ATOM 1041 C TYR B 41 -11.242 -1.991 3.581 1.00 0.46 C ATOM 1042 O TYR B 41 -10.524 -1.088 3.156 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.380 -3.692 5.224 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.882 -3.520 5.116 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.225 -3.692 3.906 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.125 -3.206 6.236 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -6.852 -3.557 3.814 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.754 -3.065 6.152 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.122 -3.244 4.942 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.754 -3.106 4.862 1.00 0.82 O ATOM 0 H TYR B 41 -12.722 -3.585 5.844 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.712 -1.603 5.613 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.612 -4.124 6.198 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.704 -4.411 4.471 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -8.795 -3.935 3.022 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.616 -3.070 7.188 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.354 -3.696 2.866 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.180 -2.815 7.032 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.421 -3.594 4.080 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.132 -2.627 2.825 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.213 -2.424 1.381 1.00 0.39 C ATOM 1062 C LEU B 42 -13.014 -1.171 1.018 1.00 0.36 C ATOM 1063 O LEU B 42 -12.695 -0.486 0.048 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.839 -3.652 0.712 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.035 -3.544 -0.803 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.713 -3.282 -1.501 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.679 -4.807 -1.351 1.00 0.48 C ATOM 0 H LEU B 42 -12.813 -3.293 3.192 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.196 -2.282 1.015 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.211 -4.518 0.920 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.807 -3.843 1.174 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.699 -2.702 -0.998 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.877 -3.209 -2.576 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.287 -2.348 -1.135 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.024 -4.101 -1.294 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -13.810 -4.711 -2.429 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.039 -5.663 -1.138 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.651 -4.954 -0.879 1.00 0.48 H new ATOM 1079 N MET B 43 -14.030 -0.851 1.809 1.00 0.39 N ATOM 1080 CA MET B 43 -14.917 0.261 1.488 1.00 0.40 C ATOM 1081 C MET B 43 -14.212 1.574 1.772 1.00 0.36 C ATOM 1082 O MET B 43 -14.402 2.567 1.071 1.00 0.36 O ATOM 1083 CB MET B 43 -16.220 0.186 2.294 1.00 0.47 C ATOM 1084 CG MET B 43 -17.403 -0.401 1.558 1.00 0.63 C ATOM 1085 SD MET B 43 -17.490 -2.207 1.614 1.00 0.85 S ATOM 1086 CE MET B 43 -16.281 -2.679 0.382 1.00 0.54 C ATOM 0 H MET B 43 -14.260 -1.342 2.673 1.00 0.39 H new ATOM 0 HA MET B 43 -15.171 0.200 0.430 1.00 0.40 H new ATOM 0 HB2 MET B 43 -16.040 -0.408 3.190 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.481 1.191 2.625 1.00 0.47 H new ATOM 0 HG2 MET B 43 -18.320 0.009 1.982 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.363 -0.083 0.516 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.626 -3.569 -0.144 1.00 0.54 H new ATOM 0 HE2 MET B 43 -16.150 -1.864 -0.330 1.00 0.54 H new ATOM 0 HE3 MET B 43 -15.329 -2.891 0.869 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.372 1.557 2.797 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.579 2.724 3.142 1.00 0.35 C ATOM 1098 C GLN B 44 -11.412 2.866 2.176 1.00 0.30 C ATOM 1099 O GLN B 44 -10.916 3.966 1.952 1.00 0.30 O ATOM 1100 CB GLN B 44 -12.084 2.641 4.586 1.00 0.42 C ATOM 1101 CG GLN B 44 -13.182 2.861 5.613 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.701 2.648 7.033 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -12.229 3.575 7.693 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.824 1.425 7.514 1.00 0.75 N ATOM 0 H GLN B 44 -13.223 0.749 3.402 1.00 0.36 H new ATOM 0 HA GLN B 44 -13.210 3.609 3.058 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.632 1.663 4.752 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -11.301 3.384 4.737 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.570 3.874 5.513 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -14.009 2.181 5.407 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -13.220 0.686 6.933 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -12.523 1.219 8.466 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.974 1.746 1.598 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.946 1.776 0.566 1.00 0.25 C ATOM 1115 C LEU B 45 -10.443 2.464 -0.694 1.00 0.23 C ATOM 1116 O LEU B 45 -9.658 3.087 -1.412 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.473 0.361 0.219 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.330 -0.187 1.075 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.059 -1.645 0.737 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.074 0.643 0.862 1.00 0.31 C ATOM 0 H LEU B 45 -11.316 0.813 1.828 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.108 2.345 0.968 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.322 -0.317 0.304 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.158 0.349 -0.825 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.622 -0.125 2.123 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.243 -2.016 1.356 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.956 -2.235 0.926 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.784 -1.730 -0.314 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.266 0.245 1.476 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.785 0.603 -0.188 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.269 1.677 1.145 1.00 0.31 H new ATOM 1132 N MET B 46 -11.737 2.351 -0.965 1.00 0.26 N ATOM 1133 CA MET B 46 -12.317 3.019 -2.119 1.00 0.27 C ATOM 1134 C MET B 46 -12.080 4.515 -1.990 1.00 0.26 C ATOM 1135 O MET B 46 -11.519 5.145 -2.886 1.00 0.40 O ATOM 1136 CB MET B 46 -13.816 2.735 -2.234 1.00 0.33 C ATOM 1137 CG MET B 46 -14.153 1.260 -2.368 1.00 0.38 C ATOM 1138 SD MET B 46 -15.888 0.969 -2.768 1.00 0.49 S ATOM 1139 CE MET B 46 -16.708 1.894 -1.469 1.00 0.49 C ATOM 0 H MET B 46 -12.397 1.809 -0.407 1.00 0.26 H new ATOM 0 HA MET B 46 -11.839 2.638 -3.022 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.320 3.135 -1.354 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.212 3.268 -3.098 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.528 0.819 -3.144 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.910 0.751 -1.435 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.639 1.396 -1.200 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.059 1.947 -0.595 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.925 2.902 -1.822 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.525 5.067 -0.859 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.241 6.452 -0.476 1.00 0.30 C ATOM 1151 C ASN B 47 -10.807 6.869 -0.778 1.00 0.26 C ATOM 1152 O ASN B 47 -10.579 7.941 -1.340 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.518 6.633 1.023 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.082 7.990 1.554 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -12.843 8.957 1.519 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -10.856 8.072 2.057 1.00 1.43 N ATOM 0 H ASN B 47 -13.095 4.563 -0.180 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.894 7.090 -1.071 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.585 6.504 1.207 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.002 5.850 1.578 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -10.517 8.958 2.431 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -10.254 7.249 2.069 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.850 6.018 -0.437 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.443 6.381 -0.533 1.00 0.25 C ATOM 1165 C ASP B 48 -8.000 6.426 -1.988 1.00 0.25 C ATOM 1166 O ASP B 48 -7.461 7.431 -2.456 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.575 5.383 0.237 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.820 5.389 1.734 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.439 6.348 2.244 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.369 4.441 2.417 1.00 0.74 O ATOM 0 H ASP B 48 -10.021 5.073 -0.092 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.320 7.371 -0.093 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.761 4.381 -0.149 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.525 5.607 0.049 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.257 5.334 -2.704 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.878 5.209 -4.111 1.00 0.27 C ATOM 1177 C LYS B 49 -8.582 6.274 -4.954 1.00 0.33 C ATOM 1178 O LYS B 49 -8.094 6.681 -6.007 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.237 3.810 -4.625 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.239 3.234 -5.625 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.190 4.031 -6.916 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.437 3.823 -7.759 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.338 4.519 -9.068 1.00 2.10 N ATOM 0 H LYS B 49 -8.732 4.513 -2.328 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.801 5.357 -4.197 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.314 3.132 -3.775 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.221 3.849 -5.092 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.247 3.215 -5.174 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.507 2.201 -5.848 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.081 5.091 -6.684 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.311 3.738 -7.490 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -8.591 2.757 -7.925 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -9.308 4.190 -7.217 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -9.207 4.354 -9.615 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -8.216 5.540 -8.910 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -7.521 4.151 -9.596 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.707 6.752 -4.464 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.494 7.730 -5.191 1.00 0.37 C ATOM 1199 C LYS B 50 -9.973 9.126 -4.882 1.00 0.39 C ATOM 1200 O LYS B 50 -9.773 9.941 -5.783 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.972 7.619 -4.809 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.880 8.540 -5.605 1.00 1.14 C ATOM 1203 CD LYS B 50 -14.325 8.431 -5.148 1.00 1.67 C ATOM 1204 CE LYS B 50 -15.244 9.297 -5.994 1.00 2.35 C ATOM 1205 NZ LYS B 50 -16.646 9.266 -5.502 1.00 3.05 N ATOM 0 H LYS B 50 -10.099 6.479 -3.563 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.403 7.539 -6.260 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.299 6.589 -4.952 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.082 7.844 -3.748 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.540 9.570 -5.497 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.813 8.292 -6.664 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.648 7.392 -5.205 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.401 8.731 -4.103 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -14.880 10.325 -5.989 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -15.215 8.954 -7.028 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -17.239 9.869 -6.106 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -17.003 8.289 -5.531 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -16.678 9.617 -4.524 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.727 9.382 -3.600 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.237 10.676 -3.148 1.00 0.44 C ATOM 1221 C LEU B 51 -7.861 10.968 -3.733 1.00 0.43 C ATOM 1222 O LEU B 51 -7.587 12.096 -4.141 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.199 10.718 -1.614 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.018 12.105 -0.983 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.646 12.138 0.399 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.544 12.472 -0.885 1.00 1.22 C ATOM 0 H LEU B 51 -9.861 8.702 -2.852 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.920 11.449 -3.500 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -10.126 10.287 -1.236 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.386 10.077 -1.273 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.515 12.834 -1.624 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.511 13.127 0.836 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.711 11.918 0.320 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -9.168 11.392 1.034 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.444 13.459 -0.434 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -7.026 11.738 -0.268 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.104 12.482 -1.882 1.00 1.22 H new ATOM 1238 N MET B 52 -7.001 9.953 -3.807 1.00 0.39 N ATOM 1239 CA MET B 52 -5.662 10.138 -4.352 1.00 0.37 C ATOM 1240 C MET B 52 -5.742 10.436 -5.846 1.00 0.41 C ATOM 1241 O MET B 52 -4.927 11.179 -6.392 1.00 0.47 O ATOM 1242 CB MET B 52 -4.800 8.888 -4.108 1.00 0.33 C ATOM 1243 CG MET B 52 -5.296 7.644 -4.831 1.00 1.29 C ATOM 1244 SD MET B 52 -4.318 6.175 -4.469 1.00 1.25 S ATOM 1245 CE MET B 52 -4.504 6.070 -2.692 1.00 0.32 C ATOM 0 H MET B 52 -7.207 9.003 -3.499 1.00 0.39 H new ATOM 0 HA MET B 52 -5.196 10.983 -3.845 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.778 9.096 -4.424 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.767 8.685 -3.038 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.334 7.459 -4.553 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.282 7.826 -5.906 1.00 1.29 H new ATOM 0 HE1 MET B 52 -4.645 5.029 -2.402 1.00 0.32 H new ATOM 0 HE2 MET B 52 -3.610 6.463 -2.209 1.00 0.32 H new ATOM 0 HE3 MET B 52 -5.371 6.654 -2.382 1.00 0.32 H new ATOM 1255 N SER B 53 -6.746 9.859 -6.495 1.00 0.41 N ATOM 1256 CA SER B 53 -6.974 10.065 -7.916 1.00 0.47 C ATOM 1257 C SER B 53 -7.529 11.465 -8.178 1.00 0.51 C ATOM 1258 O SER B 53 -7.601 11.909 -9.323 1.00 0.62 O ATOM 1259 CB SER B 53 -7.937 8.995 -8.441 1.00 0.52 C ATOM 1260 OG SER B 53 -8.079 9.059 -9.850 1.00 1.15 O ATOM 0 H SER B 53 -7.422 9.237 -6.051 1.00 0.41 H new ATOM 0 HA SER B 53 -6.024 9.979 -8.443 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.573 8.008 -8.157 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.912 9.122 -7.971 1.00 0.52 H new ATOM 0 HG SER B 53 -7.881 9.968 -10.158 1.00 1.15 H new ATOM 1266 N SER B 54 -7.903 12.164 -7.114 1.00 0.49 N ATOM 1267 CA SER B 54 -8.416 13.519 -7.230 1.00 0.54 C ATOM 1268 C SER B 54 -7.311 14.522 -6.908 1.00 0.53 C ATOM 1269 O SER B 54 -7.485 15.732 -7.060 1.00 0.53 O ATOM 1270 CB SER B 54 -9.611 13.713 -6.287 1.00 0.60 C ATOM 1271 OG SER B 54 -10.171 15.010 -6.417 1.00 1.30 O ATOM 0 H SER B 54 -7.860 11.811 -6.158 1.00 0.49 H new ATOM 0 HA SER B 54 -8.753 13.687 -8.253 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.372 12.964 -6.504 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.292 13.555 -5.257 1.00 0.60 H new ATOM 0 HG SER B 54 -9.495 15.624 -6.773 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.168 14.003 -6.482 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.041 14.842 -6.106 1.00 0.57 C ATOM 1279 C LEU B 55 -4.034 14.923 -7.246 1.00 0.65 C ATOM 1280 O LEU B 55 -3.513 13.903 -7.700 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.362 14.307 -4.843 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.239 14.272 -3.588 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.438 13.779 -2.395 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.827 15.645 -3.302 1.00 0.65 C ATOM 0 H LEU B 55 -5.997 13.002 -6.388 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.419 15.843 -5.898 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.005 13.297 -5.044 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.485 14.920 -4.635 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.061 13.579 -3.765 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.076 13.760 -1.511 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.067 12.774 -2.596 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.596 14.449 -2.220 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.446 15.596 -2.406 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.020 16.361 -3.147 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.437 15.963 -4.148 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.742 16.143 -7.719 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.828 16.355 -8.839 1.00 0.95 C ATOM 1298 C PRO B 56 -1.366 16.233 -8.424 1.00 0.88 C ATOM 1299 O PRO B 56 -0.479 16.087 -9.267 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.151 17.778 -9.286 1.00 1.14 C ATOM 1301 CG PRO B 56 -3.621 18.468 -8.051 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.277 17.415 -7.193 1.00 0.98 C ATOM 0 HA PRO B 56 -2.956 15.610 -9.624 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.273 18.270 -9.704 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.919 17.785 -10.060 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -2.787 18.932 -7.525 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.326 19.263 -8.295 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.030 17.547 -6.140 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.363 17.455 -7.273 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.123 16.286 -7.119 1.00 0.63 N ATOM 1311 CA ASN B 57 0.225 16.146 -6.588 1.00 0.62 C ATOM 1312 C ASN B 57 0.515 14.685 -6.268 1.00 0.57 C ATOM 1313 O ASN B 57 1.666 14.302 -6.034 1.00 0.59 O ATOM 1314 CB ASN B 57 0.424 17.012 -5.334 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.456 16.594 -4.168 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -1.572 16.109 -4.354 1.00 2.22 O ATOM 1317 ND2 ASN B 57 0.046 16.777 -2.955 1.00 1.73 N ATOM 0 H ASN B 57 -1.843 16.425 -6.410 1.00 0.63 H new ATOM 0 HA ASN B 57 0.924 16.491 -7.350 1.00 0.62 H new ATOM 0 HB2 ASN B 57 1.469 16.961 -5.028 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.215 18.052 -5.583 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -0.497 16.513 -2.133 1.00 1.73 H new ATOM 0 HD22 ASN B 57 0.975 17.182 -2.843 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.532 13.864 -6.266 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.379 12.439 -6.015 1.00 0.70 C ATOM 1326 C PHE B 58 0.148 11.749 -7.261 1.00 0.90 C ATOM 1327 O PHE B 58 -0.595 11.127 -8.024 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.691 11.803 -5.599 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.540 10.381 -5.128 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.083 10.106 -3.851 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.850 9.321 -5.964 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.938 8.802 -3.415 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.707 8.019 -5.536 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.251 7.758 -4.259 1.00 0.69 C ATOM 0 H PHE B 58 -1.492 14.163 -6.435 1.00 0.62 H new ATOM 0 HA PHE B 58 0.331 12.319 -5.197 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.138 12.397 -4.802 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.382 11.828 -6.441 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.836 10.921 -3.186 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.208 9.517 -6.964 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.580 8.602 -2.416 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.952 7.203 -6.199 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.140 6.738 -3.922 1.00 0.69 H new ATOM 1344 N SER B 59 1.434 11.891 -7.438 1.00 0.91 N ATOM 1345 CA SER B 59 2.174 11.325 -8.556 1.00 1.02 C ATOM 1346 C SER B 59 3.660 11.444 -8.247 1.00 1.10 C ATOM 1347 O SER B 59 4.436 10.509 -8.441 1.00 1.84 O ATOM 1348 CB SER B 59 1.866 12.060 -9.872 1.00 1.21 C ATOM 1349 OG SER B 59 0.492 11.981 -10.213 1.00 1.84 O ATOM 0 H SER B 59 2.023 12.419 -6.793 1.00 0.91 H new ATOM 0 HA SER B 59 1.879 10.283 -8.684 1.00 1.02 H new ATOM 0 HB2 SER B 59 2.158 13.106 -9.780 1.00 1.21 H new ATOM 0 HB3 SER B 59 2.465 11.632 -10.676 1.00 1.21 H new ATOM 0 HG SER B 59 0.040 11.356 -9.608 1.00 1.84 H new ATOM 1355 N GLY B 60 4.030 12.613 -7.736 1.00 0.91 N ATOM 1356 CA GLY B 60 5.405 12.870 -7.375 1.00 0.88 C ATOM 1357 C GLY B 60 5.664 12.677 -5.895 1.00 0.67 C ATOM 1358 O GLY B 60 6.752 12.254 -5.508 1.00 0.74 O ATOM 0 H GLY B 60 3.393 13.391 -7.566 1.00 0.91 H new ATOM 0 HA2 GLY B 60 6.056 12.206 -7.944 1.00 0.88 H new ATOM 0 HA3 GLY B 60 5.666 13.890 -7.656 1.00 0.88 H new ATOM 1362 N ILE B 61 4.662 12.975 -5.066 1.00 0.51 N ATOM 1363 CA ILE B 61 4.826 12.903 -3.616 1.00 0.54 C ATOM 1364 C ILE B 61 5.154 11.488 -3.140 1.00 0.73 C ATOM 1365 O ILE B 61 6.107 11.298 -2.388 1.00 1.81 O ATOM 1366 CB ILE B 61 3.596 13.445 -2.847 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.293 12.794 -3.327 1.00 0.64 C ATOM 1368 CG2 ILE B 61 3.521 14.959 -2.978 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.049 13.378 -2.687 1.00 0.79 C ATOM 0 H ILE B 61 3.734 13.267 -5.373 1.00 0.51 H new ATOM 0 HA ILE B 61 5.675 13.549 -3.390 1.00 0.54 H new ATOM 0 HB ILE B 61 3.719 13.186 -1.795 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.220 12.903 -4.409 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.332 11.725 -3.116 1.00 0.64 H new ATOM 0 HG21 ILE B 61 2.652 15.329 -2.433 1.00 0.79 H new ATOM 0 HG22 ILE B 61 4.425 15.405 -2.565 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.431 15.229 -4.030 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.167 12.868 -3.075 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.099 13.245 -1.606 1.00 0.79 H new ATOM 0 HD13 ILE B 61 0.985 14.441 -2.919 1.00 0.79 H new ATOM 1381 N PHE B 62 4.384 10.494 -3.567 1.00 0.58 N ATOM 1382 CA PHE B 62 4.651 9.119 -3.174 1.00 0.50 C ATOM 1383 C PHE B 62 4.897 8.270 -4.414 1.00 0.51 C ATOM 1384 O PHE B 62 4.302 8.509 -5.466 1.00 0.76 O ATOM 1385 CB PHE B 62 3.467 8.545 -2.399 1.00 0.50 C ATOM 1386 CG PHE B 62 2.935 9.442 -1.317 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.711 9.783 -0.221 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.647 9.933 -1.397 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.207 10.599 0.772 1.00 0.53 C ATOM 1390 CE2 PHE B 62 1.139 10.749 -0.409 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.919 11.082 0.677 1.00 0.59 C ATOM 0 H PHE B 62 3.577 10.614 -4.180 1.00 0.58 H new ATOM 0 HA PHE B 62 5.534 9.106 -2.535 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.662 8.326 -3.100 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.767 7.597 -1.952 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.720 9.407 -0.143 1.00 0.48 H new ATOM 0 HD2 PHE B 62 1.030 9.674 -2.245 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.821 10.859 1.622 1.00 0.53 H new ATOM 0 HE2 PHE B 62 0.130 11.127 -0.486 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.522 11.720 1.453 1.00 0.59 H new ATOM 1401 N THR B 63 5.764 7.280 -4.281 1.00 0.35 N ATOM 1402 CA THR B 63 6.157 6.436 -5.397 1.00 0.38 C ATOM 1403 C THR B 63 5.257 5.202 -5.535 1.00 0.30 C ATOM 1404 O THR B 63 4.582 5.024 -6.546 1.00 0.38 O ATOM 1405 CB THR B 63 7.615 5.971 -5.223 1.00 0.49 C ATOM 1406 OG1 THR B 63 8.421 7.064 -4.762 1.00 0.79 O ATOM 1407 CG2 THR B 63 8.179 5.426 -6.529 1.00 0.66 C ATOM 0 H THR B 63 6.214 7.039 -3.398 1.00 0.35 H new ATOM 0 HA THR B 63 6.055 7.037 -6.301 1.00 0.38 H new ATOM 0 HB THR B 63 7.631 5.168 -4.486 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.342 7.141 -3.788 1.00 0.79 H new ATOM 0 HG21 THR B 63 9.209 5.106 -6.375 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.580 4.576 -6.857 1.00 0.66 H new ATOM 0 HG23 THR B 63 8.151 6.205 -7.291 1.00 0.66 H new ATOM 1415 N HIS B 64 5.257 4.355 -4.512 1.00 0.26 N ATOM 1416 CA HIS B 64 4.627 3.034 -4.600 1.00 0.25 C ATOM 1417 C HIS B 64 3.189 3.023 -4.093 1.00 0.25 C ATOM 1418 O HIS B 64 2.468 2.044 -4.291 1.00 0.54 O ATOM 1419 CB HIS B 64 5.440 1.997 -3.828 1.00 0.34 C ATOM 1420 CG HIS B 64 6.823 1.795 -4.360 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.095 1.063 -5.494 1.00 0.86 N ATOM 1422 CD2 HIS B 64 8.016 2.223 -3.896 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.396 1.045 -5.702 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.982 1.742 -4.747 1.00 0.68 N ATOM 0 H HIS B 64 5.686 4.556 -3.609 1.00 0.26 H new ATOM 0 HA HIS B 64 4.605 2.781 -5.660 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.504 2.303 -2.784 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.910 1.045 -3.849 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.398 0.606 -6.082 1.00 0.86 H new ATOM 0 HD2 HIS B 64 8.181 2.831 -3.019 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.898 0.544 -6.517 1.00 0.83 H new ATOM 1433 N LEU B 65 2.782 4.104 -3.444 1.00 0.32 N ATOM 1434 CA LEU B 65 1.529 4.136 -2.682 1.00 0.22 C ATOM 1435 C LEU B 65 0.306 3.815 -3.542 1.00 0.21 C ATOM 1436 O LEU B 65 -0.553 3.036 -3.129 1.00 0.24 O ATOM 1437 CB LEU B 65 1.361 5.502 -2.005 1.00 0.29 C ATOM 1438 CG LEU B 65 2.094 5.684 -0.663 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.395 4.916 0.445 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.542 5.236 -0.761 1.00 0.99 C ATOM 0 H LEU B 65 3.302 4.981 -3.427 1.00 0.32 H new ATOM 0 HA LEU B 65 1.594 3.356 -1.924 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.709 6.272 -2.694 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.297 5.676 -1.842 1.00 0.29 H new ATOM 0 HG LEU B 65 2.074 6.747 -0.424 1.00 0.36 H new ATOM 0 HD11 LEU B 65 1.932 5.061 1.383 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.373 5.281 0.552 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.377 3.855 0.197 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.032 5.377 0.202 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.579 4.182 -1.036 1.00 0.99 H new ATOM 0 HD23 LEU B 65 4.055 5.827 -1.519 1.00 0.99 H new ATOM 1452 N GLU B 66 0.229 4.412 -4.728 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.915 4.216 -5.617 1.00 0.40 C ATOM 1454 C GLU B 66 -1.146 2.737 -5.920 1.00 0.38 C ATOM 1455 O GLU B 66 -2.229 2.201 -5.673 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.706 4.976 -6.928 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.893 4.887 -7.874 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.632 5.559 -9.203 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -0.943 4.955 -10.050 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -2.120 6.688 -9.412 1.00 1.75 O ATOM 0 H GLU B 66 0.946 5.037 -5.097 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.795 4.603 -5.104 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.507 6.024 -6.704 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.179 4.584 -7.429 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -2.139 3.839 -8.044 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.762 5.347 -7.404 1.00 0.88 H new ATOM 1467 N ARG B 67 -0.123 2.078 -6.454 1.00 0.42 N ATOM 1468 CA ARG B 67 -0.253 0.684 -6.854 1.00 0.44 C ATOM 1469 C ARG B 67 -0.505 -0.220 -5.655 1.00 0.39 C ATOM 1470 O ARG B 67 -1.052 -1.307 -5.807 1.00 0.40 O ATOM 1471 CB ARG B 67 0.975 0.204 -7.629 1.00 0.54 C ATOM 1472 CG ARG B 67 0.822 -1.214 -8.166 1.00 0.74 C ATOM 1473 CD ARG B 67 1.860 -1.534 -9.231 1.00 0.86 C ATOM 1474 NE ARG B 67 3.228 -1.477 -8.722 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.299 -1.322 -9.501 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.154 -1.152 -10.809 1.00 1.71 N ATOM 1477 NH2 ARG B 67 5.514 -1.325 -8.967 1.00 2.07 N ATOM 0 H ARG B 67 0.798 2.484 -6.618 1.00 0.42 H new ATOM 0 HA ARG B 67 -1.118 0.625 -7.515 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.162 0.884 -8.461 1.00 0.54 H new ATOM 0 HB3 ARG B 67 1.849 0.248 -6.979 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.914 -1.925 -7.345 1.00 0.74 H new ATOM 0 HG3 ARG B 67 -0.177 -1.338 -8.584 1.00 0.74 H new ATOM 0 HD2 ARG B 67 1.668 -2.529 -9.632 1.00 0.86 H new ATOM 0 HD3 ARG B 67 1.755 -0.831 -10.057 1.00 0.86 H new ATOM 0 HE ARG B 67 3.372 -1.560 -7.716 1.00 1.08 H new ATOM 0 HH11 ARG B 67 3.221 -1.140 -11.221 1.00 1.71 H new ATOM 0 HH12 ARG B 67 4.975 -1.034 -11.402 1.00 1.71 H new ATOM 0 HH21 ARG B 67 5.628 -1.446 -7.961 1.00 2.07 H new ATOM 0 HH22 ARG B 67 6.333 -1.206 -9.563 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.139 0.227 -4.463 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.381 -0.570 -3.270 1.00 0.34 C ATOM 1493 C LEU B 68 -1.870 -0.649 -2.953 1.00 0.31 C ATOM 1494 O LEU B 68 -2.308 -1.552 -2.247 1.00 0.41 O ATOM 1495 CB LEU B 68 0.408 -0.043 -2.070 1.00 0.33 C ATOM 1496 CG LEU B 68 1.904 -0.360 -2.098 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.526 -0.097 -0.741 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.143 -1.801 -2.524 1.00 0.62 C ATOM 0 H LEU B 68 0.320 1.123 -4.297 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.027 -1.580 -3.477 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.281 1.038 -2.016 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.021 -0.461 -1.159 1.00 0.33 H new ATOM 0 HG LEU B 68 2.378 0.294 -2.830 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.591 -0.328 -0.778 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.391 0.952 -0.476 1.00 0.37 H new ATOM 0 HD13 LEU B 68 2.044 -0.726 0.008 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.214 -2.004 -2.537 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.655 -2.474 -1.820 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.732 -1.959 -3.521 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.653 0.269 -3.510 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.105 0.177 -3.395 1.00 0.24 C ATOM 1512 C LEU B 69 -4.635 -0.719 -4.503 1.00 0.25 C ATOM 1513 O LEU B 69 -5.533 -1.543 -4.301 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.791 1.548 -3.475 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.801 2.380 -2.186 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.179 2.952 -1.940 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.364 1.555 -0.992 1.00 0.30 C ATOM 0 H LEU B 69 -2.314 1.073 -4.038 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.332 -0.241 -2.414 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.300 2.131 -4.255 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.823 1.396 -3.792 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.090 3.197 -2.313 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.170 3.540 -1.022 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.463 3.590 -2.777 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.899 2.139 -1.843 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.382 2.175 -0.095 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.043 0.712 -0.864 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.352 1.185 -1.156 1.00 0.30 H new ATOM 1529 N ASP B 70 -4.023 -0.608 -5.671 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.465 -1.388 -6.807 1.00 0.35 C ATOM 1531 C ASP B 70 -4.225 -2.851 -6.505 1.00 0.38 C ATOM 1532 O ASP B 70 -5.022 -3.713 -6.858 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.740 -0.972 -8.084 1.00 0.43 C ATOM 1534 CG ASP B 70 -4.131 -1.833 -9.267 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -5.286 -1.736 -9.724 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -3.281 -2.615 -9.745 1.00 1.56 O ATOM 0 H ASP B 70 -3.230 0.007 -5.853 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.528 -1.212 -6.974 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.966 0.071 -8.305 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.663 -1.039 -7.927 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.113 -3.127 -5.845 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.822 -4.437 -5.302 1.00 0.50 C ATOM 1543 C GLU B 71 -3.776 -4.831 -4.181 1.00 0.46 C ATOM 1544 O GLU B 71 -4.522 -5.803 -4.300 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.404 -4.419 -4.752 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.326 -4.407 -5.820 1.00 0.94 C ATOM 1547 CD GLU B 71 -0.522 -5.495 -6.850 1.00 1.47 C ATOM 1548 OE1 GLU B 71 -0.188 -6.658 -6.556 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -1.020 -5.185 -7.953 1.00 2.18 O ATOM 0 H GLU B 71 -2.381 -2.438 -5.671 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.939 -5.167 -6.103 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.283 -3.540 -4.118 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.261 -5.293 -4.116 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.322 -3.437 -6.317 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.649 -4.528 -5.349 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.758 -4.053 -3.104 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.484 -4.401 -1.884 1.00 0.45 C ATOM 1558 C GLU B 72 -5.980 -4.477 -2.152 1.00 0.42 C ATOM 1559 O GLU B 72 -6.631 -5.462 -1.826 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.214 -3.371 -0.787 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.863 -3.713 0.547 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.132 -4.806 1.301 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -3.811 -4.592 2.489 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -3.859 -5.876 0.716 1.00 1.33 O ATOM 0 H GLU B 72 -3.246 -3.172 -3.050 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.133 -5.378 -1.552 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.137 -3.279 -0.644 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.576 -2.398 -1.118 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.902 -2.817 1.166 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.893 -4.026 0.374 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.501 -3.446 -2.795 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.932 -3.348 -3.066 1.00 0.35 C ATOM 1573 C ILE B 73 -8.379 -4.525 -3.904 1.00 0.40 C ATOM 1574 O ILE B 73 -9.387 -5.168 -3.611 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.293 -2.028 -3.789 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.220 -0.864 -2.807 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.670 -2.102 -4.435 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.571 0.473 -3.418 1.00 0.27 C ATOM 0 H ILE B 73 -5.954 -2.659 -3.142 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.450 -3.357 -2.107 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.569 -1.868 -4.588 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.895 -1.061 -1.974 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.212 -0.811 -2.395 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.889 -1.158 -4.933 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.686 -2.910 -5.166 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.422 -2.291 -3.669 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.496 1.251 -2.658 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.881 0.693 -4.232 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.590 0.440 -3.805 1.00 0.27 H new ATOM 1590 N SER B 74 -7.603 -4.819 -4.931 1.00 0.41 N ATOM 1591 CA SER B 74 -7.931 -5.934 -5.814 1.00 0.49 C ATOM 1592 C SER B 74 -7.862 -7.282 -5.084 1.00 0.54 C ATOM 1593 O SER B 74 -8.715 -8.138 -5.291 1.00 0.60 O ATOM 1594 CB SER B 74 -7.018 -5.945 -7.036 1.00 0.52 C ATOM 1595 OG SER B 74 -7.199 -4.767 -7.808 1.00 1.34 O ATOM 0 H SER B 74 -6.752 -4.312 -5.176 1.00 0.41 H new ATOM 0 HA SER B 74 -8.959 -5.790 -6.145 1.00 0.49 H new ATOM 0 HB2 SER B 74 -5.978 -6.022 -6.719 1.00 0.52 H new ATOM 0 HB3 SER B 74 -7.230 -6.822 -7.647 1.00 0.52 H new ATOM 0 HG SER B 74 -6.640 -4.049 -7.445 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.886 -7.448 -4.193 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.691 -8.740 -3.534 1.00 0.63 C ATOM 1603 C ARG B 75 -7.726 -8.935 -2.425 1.00 0.65 C ATOM 1604 O ARG B 75 -8.210 -10.045 -2.205 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.270 -8.893 -2.973 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.988 -8.032 -1.756 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.639 -8.350 -1.139 1.00 1.26 C ATOM 1608 NE ARG B 75 -2.532 -8.106 -2.063 1.00 1.84 N ATOM 1609 CZ ARG B 75 -1.612 -7.159 -1.888 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.726 -6.287 -0.889 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -0.594 -7.062 -2.733 1.00 3.67 N ATOM 0 H ARG B 75 -6.229 -6.720 -3.914 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.827 -9.514 -4.289 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.105 -9.938 -2.711 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.553 -8.643 -3.755 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -5.018 -6.980 -2.040 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.772 -8.184 -1.014 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.501 -7.745 -0.243 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.623 -9.394 -0.825 1.00 1.26 H new ATOM 0 HE ARG B 75 -2.460 -8.697 -2.891 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -2.521 -6.342 -0.252 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -1.018 -5.564 -0.760 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -0.517 -7.712 -3.515 1.00 3.67 H new ATOM 0 HH22 ARG B 75 0.111 -6.337 -2.601 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.076 -7.841 -1.750 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.099 -7.857 -0.706 1.00 0.67 C ATOM 1627 C VAL B 76 -10.430 -8.356 -1.269 1.00 0.71 C ATOM 1628 O VAL B 76 -11.225 -8.980 -0.567 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.284 -6.447 -0.085 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.508 -6.390 0.812 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.046 -6.035 0.700 1.00 0.59 C ATOM 0 H VAL B 76 -7.661 -6.923 -1.910 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.766 -8.538 0.077 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.431 -5.747 -0.908 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.607 -5.388 1.230 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.398 -6.629 0.229 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.400 -7.112 1.622 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.199 -5.043 1.126 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.869 -6.751 1.502 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.183 -6.015 0.034 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.642 -8.105 -2.553 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.873 -8.501 -3.222 1.00 0.73 C ATOM 1643 C ARG B 77 -11.969 -10.019 -3.362 1.00 0.87 C ATOM 1644 O ARG B 77 -13.041 -10.593 -3.191 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.965 -7.838 -4.593 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.153 -6.333 -4.526 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.175 -5.715 -5.914 1.00 0.84 C ATOM 1648 NE ARG B 77 -13.212 -6.308 -6.757 1.00 1.38 N ATOM 1649 CZ ARG B 77 -13.622 -5.793 -7.915 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -13.082 -4.672 -8.380 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -14.572 -6.404 -8.609 1.00 2.73 N ATOM 0 H ARG B 77 -9.973 -7.626 -3.155 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.709 -8.168 -2.607 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.058 -8.058 -5.156 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.797 -8.276 -5.145 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.085 -6.104 -4.009 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.347 -5.890 -3.941 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -12.344 -4.641 -5.831 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -11.202 -5.849 -6.387 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.650 -7.172 -6.438 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -12.349 -4.201 -7.850 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -13.400 -4.283 -9.267 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -14.987 -7.266 -8.256 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -14.888 -6.012 -9.496 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.849 -10.668 -3.670 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.832 -12.121 -3.797 1.00 1.08 C ATOM 1667 C LYS B 78 -10.798 -12.752 -2.424 1.00 1.12 C ATOM 1668 O LYS B 78 -11.405 -13.795 -2.189 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.625 -12.607 -4.604 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.678 -12.246 -6.074 1.00 1.35 C ATOM 1671 CD LYS B 78 -9.280 -10.805 -6.276 1.00 2.01 C ATOM 1672 CE LYS B 78 -9.701 -10.287 -7.643 1.00 2.67 C ATOM 1673 NZ LYS B 78 -9.034 -11.025 -8.748 1.00 3.44 N ATOM 0 H LYS B 78 -9.950 -10.215 -3.835 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.737 -12.417 -4.327 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.718 -12.186 -4.170 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.551 -13.690 -4.509 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.011 -12.897 -6.639 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -10.685 -12.409 -6.459 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.735 -10.190 -5.499 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -8.200 -10.708 -6.168 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -10.782 -10.377 -7.748 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -9.461 -9.226 -7.719 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -9.322 -10.618 -9.661 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -8.002 -10.947 -8.645 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -9.310 -12.027 -8.713 1.00 3.44 H new ATOM 1687 N ASP B 79 -10.074 -12.105 -1.525 1.00 1.02 N ATOM 1688 CA ASP B 79 -9.959 -12.566 -0.135 1.00 1.20 C ATOM 1689 C ASP B 79 -11.326 -12.643 0.559 1.00 1.42 C ATOM 1690 O ASP B 79 -11.448 -13.201 1.647 1.00 1.68 O ATOM 1691 CB ASP B 79 -9.020 -11.647 0.654 1.00 1.24 C ATOM 1692 CG ASP B 79 -8.558 -12.269 1.961 1.00 1.59 C ATOM 1693 OD1 ASP B 79 -9.189 -12.020 3.007 1.00 2.21 O ATOM 1694 OD2 ASP B 79 -7.554 -13.014 1.945 1.00 1.94 O ATOM 0 H ASP B 79 -9.551 -11.253 -1.727 1.00 1.02 H new ATOM 0 HA ASP B 79 -9.543 -13.573 -0.159 1.00 1.20 H new ATOM 0 HB2 ASP B 79 -8.150 -11.409 0.041 1.00 1.24 H new ATOM 0 HB3 ASP B 79 -9.529 -10.706 0.863 1.00 1.24 H new ATOM 1699 N MET B 80 -12.362 -12.128 -0.093 1.00 1.50 N ATOM 1700 CA MET B 80 -13.709 -12.163 0.465 1.00 1.83 C ATOM 1701 C MET B 80 -14.255 -13.583 0.410 1.00 2.16 C ATOM 1702 O MET B 80 -15.128 -13.963 1.193 1.00 2.63 O ATOM 1703 CB MET B 80 -14.643 -11.230 -0.307 1.00 2.04 C ATOM 1704 CG MET B 80 -14.270 -9.763 -0.208 1.00 1.58 C ATOM 1705 SD MET B 80 -14.362 -9.132 1.478 1.00 1.43 S ATOM 1706 CE MET B 80 -13.931 -7.418 1.206 1.00 0.99 C ATOM 0 H MET B 80 -12.295 -11.682 -1.008 1.00 1.50 H new ATOM 0 HA MET B 80 -13.658 -11.828 1.501 1.00 1.83 H new ATOM 0 HB2 MET B 80 -14.646 -11.523 -1.357 1.00 2.04 H new ATOM 0 HB3 MET B 80 -15.659 -11.362 0.064 1.00 2.04 H new ATOM 0 HG2 MET B 80 -13.258 -9.623 -0.589 1.00 1.58 H new ATOM 0 HG3 MET B 80 -14.934 -9.180 -0.846 1.00 1.58 H new ATOM 0 HE1 MET B 80 -13.134 -7.130 1.892 1.00 0.99 H new ATOM 0 HE2 MET B 80 -13.591 -7.287 0.179 1.00 0.99 H new ATOM 0 HE3 MET B 80 -14.805 -6.791 1.381 1.00 0.99 H new ATOM 1716 N TYR B 81 -13.730 -14.359 -0.528 1.00 2.56 N ATOM 1717 CA TYR B 81 -14.136 -15.742 -0.712 1.00 3.13 C ATOM 1718 C TYR B 81 -12.910 -16.650 -0.805 1.00 3.70 C ATOM 1719 O TYR B 81 -12.509 -17.022 -1.926 1.00 4.25 O ATOM 1720 CB TYR B 81 -15.029 -15.887 -1.957 1.00 3.71 C ATOM 1721 CG TYR B 81 -14.740 -14.879 -3.054 1.00 4.11 C ATOM 1722 CD1 TYR B 81 -15.456 -13.688 -3.127 1.00 4.28 C ATOM 1723 CD2 TYR B 81 -13.757 -15.109 -4.007 1.00 4.77 C ATOM 1724 CE1 TYR B 81 -15.198 -12.760 -4.115 1.00 4.93 C ATOM 1725 CE2 TYR B 81 -13.494 -14.184 -5.001 1.00 5.51 C ATOM 1726 CZ TYR B 81 -14.216 -13.011 -5.048 1.00 5.53 C ATOM 1727 OH TYR B 81 -13.953 -12.081 -6.030 1.00 6.40 O ATOM 1728 OXT TYR B 81 -12.336 -16.972 0.257 1.00 4.07 O ATOM 0 H TYR B 81 -13.012 -14.046 -1.181 1.00 2.56 H new ATOM 0 HA TYR B 81 -14.721 -16.049 0.155 1.00 3.13 H new ATOM 0 HB2 TYR B 81 -14.907 -16.892 -2.362 1.00 3.71 H new ATOM 0 HB3 TYR B 81 -16.072 -15.789 -1.655 1.00 3.71 H new ATOM 0 HD1 TYR B 81 -16.227 -13.487 -2.398 1.00 4.28 H new ATOM 0 HD2 TYR B 81 -13.188 -16.026 -3.972 1.00 4.77 H new ATOM 0 HE1 TYR B 81 -15.763 -11.841 -4.157 1.00 4.93 H new ATOM 0 HE2 TYR B 81 -12.727 -14.380 -5.736 1.00 5.51 H new ATOM 0 HH TYR B 81 -13.232 -12.409 -6.607 1.00 6.40 H new TER 1738 TYR B 81