USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.695 (180deg=-0.258!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc=-0.00296 (180deg=-0.148) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000244 USER MOD Single : A 12 GLN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0301) USER MOD Single : A 28 SER OG : rot 144:sc= -0.176 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= -0.477 (180deg=-1.77!) USER MOD Single : A 43 HIS : no HD1:sc= -0.731 K(o=-0.73,f=-0.11) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 120:sc= -0.272 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.14 (180deg=-0.905) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.35! C(o=-2.3!,f=-2.1!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 67 SER OG : rot 64:sc= 1.03 USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -0.0109 (180deg=-0.261) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.798 USER MOD Single : A 76 THR OG1 : rot -56:sc= -2.73! USER MOD Single : A 78 GLN : amide:sc= -3.83! C(o=-3.8!,f=-2.8!) USER MOD Single : A 81 LYS NZ :NH3+ -139:sc= -3.81! (180deg=-4.16) USER MOD Single : A 82 LYS NZ :NH3+ -114:sc= 0.937 (180deg=-1.23) USER MOD Single : A 84 GLN : amide:sc= -0.0862 X(o=-0.086,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 103:sc= 0.608 USER MOD Single : A 93 ASN : amide:sc= -3.31! K(o=-3.3!,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.189 (180deg=-0.542) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -0.157 (180deg=-0.894) USER MOD Single : A 100 THR OG1 : rot 81:sc= 0.296 USER MOD Single : A 102 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.6) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 9:sc= -2.16 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.191! C(o=-0.19!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.292 -3.518 7.934 1.00 0.73 N ATOM 2 CA MET A 1 -6.560 -2.448 8.670 1.00 0.31 C ATOM 3 C MET A 1 -5.180 -2.250 8.037 1.00 0.24 C ATOM 4 O MET A 1 -5.007 -2.405 6.844 1.00 0.21 O ATOM 5 CB MET A 1 -6.402 -2.852 10.139 1.00 0.70 C ATOM 6 CG MET A 1 -7.780 -3.111 10.759 1.00 1.55 C ATOM 7 SD MET A 1 -8.378 -4.742 10.249 1.00 2.25 S ATOM 8 CE MET A 1 -10.077 -4.560 10.845 1.00 2.89 C ATOM 0 H1 MET A 1 -8.202 -3.146 7.595 1.00 0.73 H new ATOM 0 H2 MET A 1 -6.723 -3.833 7.122 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.462 -4.323 8.570 1.00 0.73 H new ATOM 0 HA MET A 1 -7.122 -1.516 8.613 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.785 -3.747 10.215 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.888 -2.064 10.689 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.717 -3.059 11.846 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.483 -2.340 10.444 1.00 1.55 H new ATOM 0 HE1 MET A 1 -10.637 -5.470 10.630 1.00 2.89 H new ATOM 0 HE2 MET A 1 -10.068 -4.385 11.921 1.00 2.89 H new ATOM 0 HE3 MET A 1 -10.550 -3.715 10.344 1.00 2.89 H new ATOM 20 N VAL A 2 -4.196 -1.908 8.826 1.00 0.24 N ATOM 21 CA VAL A 2 -2.823 -1.696 8.274 1.00 0.19 C ATOM 22 C VAL A 2 -2.013 -2.987 8.414 1.00 0.22 C ATOM 23 O VAL A 2 -2.330 -3.851 9.208 1.00 0.28 O ATOM 24 CB VAL A 2 -2.133 -0.574 9.053 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.726 -0.340 8.491 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.954 0.711 8.923 1.00 0.30 C ATOM 0 H VAL A 2 -4.283 -1.766 9.832 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.890 -1.422 7.221 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.057 -0.857 10.103 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.240 0.460 9.049 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.141 -1.255 8.583 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.796 -0.058 7.440 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.465 1.513 9.477 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.029 0.990 7.872 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.953 0.547 9.327 1.00 0.30 H new ATOM 36 N LYS A 3 -0.963 -3.125 7.648 1.00 0.18 N ATOM 37 CA LYS A 3 -0.127 -4.358 7.732 1.00 0.22 C ATOM 38 C LYS A 3 1.286 -4.043 7.244 1.00 0.16 C ATOM 39 O LYS A 3 1.486 -3.611 6.126 1.00 0.13 O ATOM 40 CB LYS A 3 -0.732 -5.456 6.848 1.00 0.26 C ATOM 41 CG LYS A 3 0.017 -6.786 7.051 1.00 0.34 C ATOM 42 CD LYS A 3 -0.509 -7.514 8.295 1.00 0.81 C ATOM 43 CE LYS A 3 0.175 -8.879 8.413 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.485 -9.674 9.487 1.00 1.97 N ATOM 0 H LYS A 3 -0.648 -2.435 6.966 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.095 -4.702 8.766 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.787 -5.585 7.090 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.679 -5.158 5.801 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.108 -7.418 6.172 1.00 0.34 H new ATOM 0 HG3 LYS A 3 1.085 -6.596 7.158 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.314 -6.919 9.187 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.589 -7.641 8.226 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.116 -9.411 7.463 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.233 -8.749 8.640 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.021 -10.601 9.568 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.406 -9.168 10.392 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.489 -9.809 9.252 1.00 1.97 H new ATOM 58 N GLN A 4 2.269 -4.266 8.071 1.00 0.18 N ATOM 59 CA GLN A 4 3.672 -3.992 7.655 1.00 0.15 C ATOM 60 C GLN A 4 4.255 -5.251 7.010 1.00 0.13 C ATOM 61 O GLN A 4 4.118 -6.346 7.519 1.00 0.14 O ATOM 62 CB GLN A 4 4.501 -3.600 8.885 1.00 0.20 C ATOM 63 CG GLN A 4 6.001 -3.673 8.555 1.00 0.21 C ATOM 64 CD GLN A 4 6.801 -2.850 9.568 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.390 -2.686 10.699 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.939 -2.321 9.206 1.00 0.98 N ATOM 0 H GLN A 4 2.161 -4.627 9.019 1.00 0.18 H new ATOM 0 HA GLN A 4 3.695 -3.173 6.936 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.239 -2.591 9.203 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.271 -4.266 9.716 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.335 -4.710 8.572 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.179 -3.297 7.547 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.286 -2.458 8.257 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.481 -1.771 9.873 1.00 0.98 H new ATOM 75 N ILE A 5 4.909 -5.091 5.892 1.00 0.10 N ATOM 76 CA ILE A 5 5.524 -6.253 5.188 1.00 0.10 C ATOM 77 C ILE A 5 7.044 -6.167 5.352 1.00 0.10 C ATOM 78 O ILE A 5 7.684 -5.313 4.772 1.00 0.11 O ATOM 79 CB ILE A 5 5.191 -6.174 3.697 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.689 -5.895 3.486 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.609 -7.470 2.991 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.807 -6.908 4.232 1.00 0.19 C ATOM 0 H ILE A 5 5.045 -4.192 5.430 1.00 0.10 H new ATOM 0 HA ILE A 5 5.143 -7.186 5.604 1.00 0.10 H new ATOM 0 HB ILE A 5 5.750 -5.347 3.260 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.455 -4.888 3.830 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.460 -5.929 2.421 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.367 -7.401 1.931 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.682 -7.619 3.109 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.075 -8.312 3.431 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.757 -6.675 4.056 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.021 -7.913 3.869 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.017 -6.855 5.300 1.00 0.19 H new ATOM 94 N GLU A 6 7.623 -7.030 6.137 1.00 0.11 N ATOM 95 CA GLU A 6 9.100 -6.983 6.339 1.00 0.14 C ATOM 96 C GLU A 6 9.764 -8.049 5.466 1.00 0.14 C ATOM 97 O GLU A 6 10.967 -8.072 5.302 1.00 0.17 O ATOM 98 CB GLU A 6 9.407 -7.267 7.811 1.00 0.18 C ATOM 99 CG GLU A 6 8.469 -6.448 8.697 1.00 0.31 C ATOM 100 CD GLU A 6 8.823 -6.682 10.167 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.954 -7.051 10.435 1.00 1.96 O ATOM 102 OE2 GLU A 6 7.953 -6.489 11.002 1.00 1.97 O ATOM 0 H GLU A 6 7.138 -7.767 6.649 1.00 0.11 H new ATOM 0 HA GLU A 6 9.482 -6.000 6.064 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.285 -8.330 8.020 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.444 -7.015 8.032 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.555 -5.389 8.455 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.434 -6.734 8.511 1.00 0.31 H new ATOM 109 N SER A 7 8.985 -8.932 4.901 1.00 0.13 N ATOM 110 CA SER A 7 9.562 -9.997 4.032 1.00 0.15 C ATOM 111 C SER A 7 8.520 -10.433 3.000 1.00 0.14 C ATOM 112 O SER A 7 7.330 -10.334 3.222 1.00 0.12 O ATOM 113 CB SER A 7 9.965 -11.193 4.895 1.00 0.20 C ATOM 114 OG SER A 7 8.932 -11.466 5.832 1.00 0.23 O ATOM 0 H SER A 7 7.971 -8.961 5.005 1.00 0.13 H new ATOM 0 HA SER A 7 10.441 -9.612 3.515 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.142 -12.066 4.267 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.898 -10.981 5.417 1.00 0.20 H new ATOM 0 HG SER A 7 9.187 -12.233 6.386 1.00 0.23 H new ATOM 120 N LYS A 8 8.964 -10.915 1.873 1.00 0.15 N ATOM 121 CA LYS A 8 8.010 -11.360 0.817 1.00 0.14 C ATOM 122 C LYS A 8 6.997 -12.342 1.413 1.00 0.14 C ATOM 123 O LYS A 8 5.896 -12.489 0.920 1.00 0.13 O ATOM 124 CB LYS A 8 8.795 -12.045 -0.309 1.00 0.17 C ATOM 125 CG LYS A 8 7.951 -12.091 -1.585 1.00 0.21 C ATOM 126 CD LYS A 8 8.765 -12.730 -2.718 1.00 0.22 C ATOM 127 CE LYS A 8 7.831 -13.153 -3.858 1.00 1.06 C ATOM 128 NZ LYS A 8 7.115 -14.401 -3.472 1.00 1.90 N ATOM 0 H LYS A 8 9.950 -11.021 1.636 1.00 0.15 H new ATOM 0 HA LYS A 8 7.474 -10.498 0.420 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.723 -11.505 -0.497 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.070 -13.056 -0.009 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.040 -12.664 -1.410 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.645 -11.084 -1.867 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.507 -12.023 -3.088 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.310 -13.596 -2.342 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.114 -12.360 -4.069 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.404 -13.316 -4.771 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.698 -14.838 -4.319 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.786 -15.065 -3.035 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 6.361 -14.173 -2.793 1.00 1.90 H new ATOM 142 N THR A 9 7.361 -13.019 2.465 1.00 0.16 N ATOM 143 CA THR A 9 6.421 -13.994 3.087 1.00 0.18 C ATOM 144 C THR A 9 5.151 -13.270 3.546 1.00 0.16 C ATOM 145 O THR A 9 4.048 -13.709 3.289 1.00 0.17 O ATOM 146 CB THR A 9 7.102 -14.655 4.286 1.00 0.21 C ATOM 147 OG1 THR A 9 8.422 -15.036 3.925 1.00 0.24 O ATOM 148 CG2 THR A 9 6.310 -15.892 4.712 1.00 0.25 C ATOM 0 H THR A 9 8.269 -12.940 2.922 1.00 0.16 H new ATOM 0 HA THR A 9 6.150 -14.756 2.356 1.00 0.18 H new ATOM 0 HB THR A 9 7.139 -13.950 5.117 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.862 -15.459 4.692 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.798 -16.360 5.567 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.297 -15.598 4.989 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.269 -16.600 3.885 1.00 0.25 H new ATOM 156 N ALA A 10 5.299 -12.165 4.223 1.00 0.16 N ATOM 157 CA ALA A 10 4.103 -11.413 4.702 1.00 0.17 C ATOM 158 C ALA A 10 3.367 -10.803 3.508 1.00 0.15 C ATOM 159 O ALA A 10 2.177 -10.562 3.558 1.00 0.17 O ATOM 160 CB ALA A 10 4.550 -10.298 5.651 1.00 0.20 C ATOM 0 H ALA A 10 6.198 -11.749 4.466 1.00 0.16 H new ATOM 0 HA ALA A 10 3.434 -12.094 5.228 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.677 -9.747 6.002 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.072 -10.733 6.503 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.220 -9.619 5.124 1.00 0.20 H new ATOM 166 N PHE A 11 4.064 -10.546 2.434 1.00 0.12 N ATOM 167 CA PHE A 11 3.397 -9.945 1.245 1.00 0.11 C ATOM 168 C PHE A 11 2.284 -10.868 0.754 1.00 0.13 C ATOM 169 O PHE A 11 1.117 -10.548 0.850 1.00 0.16 O ATOM 170 CB PHE A 11 4.422 -9.741 0.124 1.00 0.10 C ATOM 171 CG PHE A 11 3.754 -9.083 -1.061 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.327 -7.748 -0.969 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.572 -9.796 -2.260 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.719 -7.126 -2.073 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.963 -9.173 -3.361 1.00 0.18 C ATOM 176 CZ PHE A 11 2.536 -7.839 -3.267 1.00 0.21 C ATOM 0 H PHE A 11 5.063 -10.726 2.329 1.00 0.12 H new ATOM 0 HA PHE A 11 2.970 -8.982 1.526 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.246 -9.122 0.479 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.848 -10.700 -0.172 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.466 -7.199 -0.049 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.901 -10.822 -2.334 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.393 -6.099 -2.002 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.823 -9.721 -4.281 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.066 -7.362 -4.114 1.00 0.21 H new ATOM 186 N GLN A 12 2.633 -12.006 0.220 1.00 0.15 N ATOM 187 CA GLN A 12 1.588 -12.936 -0.295 1.00 0.19 C ATOM 188 C GLN A 12 0.579 -13.249 0.813 1.00 0.17 C ATOM 189 O GLN A 12 -0.614 -13.296 0.583 1.00 0.16 O ATOM 190 CB GLN A 12 2.249 -14.234 -0.779 1.00 0.24 C ATOM 191 CG GLN A 12 3.313 -14.683 0.227 1.00 1.21 C ATOM 192 CD GLN A 12 3.861 -16.054 -0.179 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.602 -16.668 0.563 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.525 -16.564 -1.333 1.00 2.47 N ATOM 0 H GLN A 12 3.594 -12.332 0.118 1.00 0.15 H new ATOM 0 HA GLN A 12 1.066 -12.465 -1.128 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.496 -15.013 -0.898 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.704 -14.078 -1.757 1.00 0.24 H new ATOM 0 HG2 GLN A 12 4.122 -13.954 0.265 1.00 1.21 H new ATOM 0 HG3 GLN A 12 2.883 -14.734 1.227 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.903 -16.049 -1.956 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.884 -17.477 -1.611 1.00 2.47 H new ATOM 203 N GLU A 13 1.042 -13.459 2.014 1.00 0.19 N ATOM 204 CA GLU A 13 0.106 -13.764 3.129 1.00 0.20 C ATOM 205 C GLU A 13 -0.888 -12.613 3.294 1.00 0.18 C ATOM 206 O GLU A 13 -2.055 -12.824 3.560 1.00 0.19 O ATOM 207 CB GLU A 13 0.906 -13.938 4.422 1.00 0.25 C ATOM 208 CG GLU A 13 1.677 -15.260 4.379 1.00 0.30 C ATOM 209 CD GLU A 13 2.634 -15.335 5.572 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.843 -14.314 6.205 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.143 -16.413 5.829 1.00 2.03 O ATOM 0 H GLU A 13 2.029 -13.432 2.270 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.440 -14.681 2.908 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.599 -13.106 4.547 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.235 -13.925 5.281 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.982 -16.099 4.404 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.236 -15.337 3.446 1.00 0.30 H new ATOM 218 N ALA A 14 -0.438 -11.398 3.145 1.00 0.18 N ATOM 219 CA ALA A 14 -1.361 -10.241 3.300 1.00 0.18 C ATOM 220 C ALA A 14 -2.475 -10.332 2.253 1.00 0.18 C ATOM 221 O ALA A 14 -3.638 -10.141 2.549 1.00 0.19 O ATOM 222 CB ALA A 14 -0.578 -8.942 3.106 1.00 0.20 C ATOM 0 H ALA A 14 0.528 -11.157 2.923 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.802 -10.255 4.297 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -1.250 -8.092 3.219 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.214 -8.880 3.852 1.00 0.20 H new ATOM 0 HB3 ALA A 14 -0.139 -8.927 2.109 1.00 0.20 H new ATOM 228 N LEU A 15 -2.125 -10.621 1.029 1.00 0.17 N ATOM 229 CA LEU A 15 -3.152 -10.721 -0.051 1.00 0.18 C ATOM 230 C LEU A 15 -4.117 -11.872 0.245 1.00 0.18 C ATOM 231 O LEU A 15 -5.319 -11.730 0.131 1.00 0.18 O ATOM 232 CB LEU A 15 -2.458 -10.969 -1.396 1.00 0.19 C ATOM 233 CG LEU A 15 -1.202 -10.096 -1.517 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.575 -10.301 -2.900 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.579 -8.618 -1.340 1.00 0.62 C ATOM 0 H LEU A 15 -1.166 -10.793 0.728 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.714 -9.788 -0.094 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.188 -12.021 -1.485 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.144 -10.746 -2.213 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.488 -10.379 -0.744 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.318 -9.682 -2.990 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.304 -11.349 -3.025 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.292 -10.017 -3.670 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.684 -8.001 -1.427 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.294 -8.330 -2.111 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -2.027 -8.472 -0.357 1.00 0.62 H new ATOM 247 N ASP A 16 -3.605 -13.016 0.604 1.00 0.19 N ATOM 248 CA ASP A 16 -4.501 -14.174 0.886 1.00 0.21 C ATOM 249 C ASP A 16 -5.384 -13.864 2.098 1.00 0.20 C ATOM 250 O ASP A 16 -6.565 -14.152 2.105 1.00 0.20 O ATOM 251 CB ASP A 16 -3.655 -15.417 1.173 1.00 0.24 C ATOM 252 CG ASP A 16 -4.565 -16.644 1.260 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.242 -16.786 2.264 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.570 -17.420 0.318 1.00 1.07 O ATOM 0 H ASP A 16 -2.608 -13.200 0.714 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.135 -14.357 0.018 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.914 -15.556 0.386 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.108 -15.290 2.107 1.00 0.24 H new ATOM 259 N ALA A 17 -4.823 -13.293 3.128 1.00 0.22 N ATOM 260 CA ALA A 17 -5.634 -12.978 4.341 1.00 0.24 C ATOM 261 C ALA A 17 -6.434 -11.694 4.114 1.00 0.21 C ATOM 262 O ALA A 17 -7.328 -11.370 4.872 1.00 0.22 O ATOM 263 CB ALA A 17 -4.704 -12.792 5.539 1.00 0.30 C ATOM 0 H ALA A 17 -3.839 -13.031 3.184 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.323 -13.800 4.535 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.295 -12.562 6.426 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -4.139 -13.709 5.707 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.014 -11.972 5.340 1.00 0.30 H new ATOM 269 N ALA A 18 -6.124 -10.953 3.085 1.00 0.21 N ATOM 270 CA ALA A 18 -6.871 -9.687 2.830 1.00 0.22 C ATOM 271 C ALA A 18 -8.311 -10.014 2.429 1.00 0.21 C ATOM 272 O ALA A 18 -9.149 -9.140 2.325 1.00 0.24 O ATOM 273 CB ALA A 18 -6.189 -8.905 1.704 1.00 0.23 C ATOM 0 H ALA A 18 -5.389 -11.168 2.412 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.877 -9.082 3.737 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.736 -7.981 1.520 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.165 -8.669 1.994 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.179 -9.508 0.796 1.00 0.23 H new ATOM 279 N GLY A 19 -8.612 -11.266 2.205 1.00 0.22 N ATOM 280 CA GLY A 19 -10.001 -11.641 1.814 1.00 0.24 C ATOM 281 C GLY A 19 -10.273 -11.185 0.378 1.00 0.20 C ATOM 282 O GLY A 19 -9.641 -11.636 -0.556 1.00 0.28 O ATOM 0 H GLY A 19 -7.956 -12.044 2.276 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.133 -12.720 1.894 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.718 -11.180 2.494 1.00 0.24 H new ATOM 286 N ASP A 20 -11.212 -10.296 0.196 1.00 0.13 N ATOM 287 CA ASP A 20 -11.538 -9.805 -1.177 1.00 0.18 C ATOM 288 C ASP A 20 -11.650 -8.279 -1.150 1.00 0.15 C ATOM 289 O ASP A 20 -11.966 -7.652 -2.140 1.00 0.22 O ATOM 290 CB ASP A 20 -12.872 -10.417 -1.625 1.00 0.26 C ATOM 291 CG ASP A 20 -13.378 -9.724 -2.895 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.553 -9.321 -3.699 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.583 -9.610 -3.041 1.00 2.21 O ATOM 0 H ASP A 20 -11.772 -9.885 0.943 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.754 -10.097 -1.875 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.746 -11.484 -1.811 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.611 -10.317 -0.830 1.00 0.26 H new ATOM 298 N LYS A 21 -11.375 -7.669 -0.029 1.00 0.12 N ATOM 299 CA LYS A 21 -11.456 -6.187 0.036 1.00 0.19 C ATOM 300 C LYS A 21 -10.335 -5.598 -0.814 1.00 0.15 C ATOM 301 O LYS A 21 -9.408 -6.284 -1.199 1.00 0.15 O ATOM 302 CB LYS A 21 -11.296 -5.731 1.487 1.00 0.27 C ATOM 303 CG LYS A 21 -12.610 -5.948 2.238 1.00 0.29 C ATOM 304 CD LYS A 21 -12.384 -5.709 3.733 1.00 0.30 C ATOM 305 CE LYS A 21 -13.720 -5.433 4.426 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.552 -6.669 4.419 1.00 1.90 N ATOM 0 H LYS A 21 -11.100 -8.131 0.838 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.422 -5.849 -0.340 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.493 -6.290 1.968 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.016 -4.678 1.520 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.374 -5.268 1.861 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.974 -6.962 2.071 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.906 -6.580 4.181 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.709 -4.865 3.877 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.548 -5.104 5.451 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.246 -4.626 3.916 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.398 -6.521 5.005 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.840 -6.888 3.444 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.999 -7.462 4.803 1.00 1.90 H new ATOM 320 N LEU A 22 -10.411 -4.334 -1.114 1.00 0.13 N ATOM 321 CA LEU A 22 -9.347 -3.706 -1.938 1.00 0.11 C ATOM 322 C LEU A 22 -8.031 -3.771 -1.156 1.00 0.10 C ATOM 323 O LEU A 22 -8.030 -3.901 0.052 1.00 0.11 O ATOM 324 CB LEU A 22 -9.739 -2.246 -2.223 1.00 0.12 C ATOM 325 CG LEU A 22 -9.508 -1.876 -3.697 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.768 -0.376 -3.875 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.067 -2.200 -4.118 1.00 0.11 C ATOM 0 H LEU A 22 -11.164 -3.709 -0.824 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.226 -4.228 -2.887 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.788 -2.094 -1.969 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.157 -1.581 -1.585 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.188 -2.455 -4.322 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.607 -0.100 -4.917 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.796 -0.149 -3.594 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.085 0.189 -3.241 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.924 -1.931 -5.165 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.371 -1.633 -3.499 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.881 -3.266 -3.989 1.00 0.11 H new ATOM 339 N VAL A 23 -6.912 -3.692 -1.829 1.00 0.08 N ATOM 340 CA VAL A 23 -5.602 -3.758 -1.114 1.00 0.09 C ATOM 341 C VAL A 23 -4.619 -2.789 -1.769 1.00 0.08 C ATOM 342 O VAL A 23 -4.118 -3.032 -2.848 1.00 0.09 O ATOM 343 CB VAL A 23 -5.043 -5.186 -1.197 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.878 -5.350 -0.213 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.153 -6.186 -0.857 1.00 0.10 C ATOM 0 H VAL A 23 -6.849 -3.585 -2.841 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.744 -3.485 -0.068 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.681 -5.374 -2.208 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.487 -6.365 -0.278 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.089 -4.641 -0.462 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.229 -5.161 0.801 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.759 -7.201 -0.915 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.518 -5.996 0.152 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.973 -6.074 -1.566 1.00 0.10 H new ATOM 355 N VAL A 24 -4.330 -1.696 -1.110 1.00 0.08 N ATOM 356 CA VAL A 24 -3.366 -0.703 -1.669 1.00 0.08 C ATOM 357 C VAL A 24 -2.033 -0.850 -0.933 1.00 0.08 C ATOM 358 O VAL A 24 -1.990 -0.956 0.276 1.00 0.08 O ATOM 359 CB VAL A 24 -3.915 0.714 -1.479 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.114 1.697 -2.339 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.388 0.754 -1.895 1.00 0.09 C ATOM 0 H VAL A 24 -4.724 -1.448 -0.202 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.221 -0.881 -2.735 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.826 0.996 -0.430 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.507 2.704 -2.202 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.066 1.672 -2.040 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.198 1.415 -3.388 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.777 1.763 -1.759 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.478 0.468 -2.943 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.959 0.059 -1.279 1.00 0.09 H new ATOM 371 N VAL A 25 -0.950 -0.883 -1.661 1.00 0.09 N ATOM 372 CA VAL A 25 0.392 -1.055 -1.027 1.00 0.09 C ATOM 373 C VAL A 25 1.191 0.237 -1.166 1.00 0.10 C ATOM 374 O VAL A 25 1.263 0.821 -2.227 1.00 0.17 O ATOM 375 CB VAL A 25 1.140 -2.183 -1.743 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.339 -2.635 -0.903 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.193 -3.362 -1.956 1.00 0.09 C ATOM 0 H VAL A 25 -0.936 -0.797 -2.677 1.00 0.09 H new ATOM 0 HA VAL A 25 0.269 -1.297 0.029 1.00 0.09 H new ATOM 0 HB VAL A 25 1.498 -1.820 -2.706 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.864 -3.437 -1.421 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.017 -1.794 -0.754 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.990 -2.995 0.065 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.723 -4.167 -2.466 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.167 -3.719 -0.991 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.654 -3.043 -2.564 1.00 0.09 H new ATOM 387 N ASP A 26 1.806 0.674 -0.102 1.00 0.08 N ATOM 388 CA ASP A 26 2.620 1.919 -0.160 1.00 0.08 C ATOM 389 C ASP A 26 4.104 1.550 -0.162 1.00 0.08 C ATOM 390 O ASP A 26 4.677 1.235 0.862 1.00 0.09 O ATOM 391 CB ASP A 26 2.301 2.786 1.061 1.00 0.09 C ATOM 392 CG ASP A 26 3.253 3.983 1.113 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.968 4.972 0.457 1.00 0.93 O ATOM 394 OD2 ASP A 26 4.248 3.890 1.811 1.00 0.96 O ATOM 0 H ASP A 26 1.779 0.219 0.810 1.00 0.08 H new ATOM 0 HA ASP A 26 2.386 2.475 -1.068 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.269 3.133 1.012 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.396 2.195 1.972 1.00 0.09 H new ATOM 399 N PHE A 27 4.734 1.599 -1.304 1.00 0.08 N ATOM 400 CA PHE A 27 6.185 1.269 -1.373 1.00 0.09 C ATOM 401 C PHE A 27 6.969 2.544 -1.068 1.00 0.11 C ATOM 402 O PHE A 27 7.449 3.219 -1.955 1.00 0.13 O ATOM 403 CB PHE A 27 6.530 0.797 -2.789 1.00 0.10 C ATOM 404 CG PHE A 27 6.123 -0.647 -2.983 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.799 -0.971 -3.324 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.078 -1.668 -2.844 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.432 -2.313 -3.523 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.712 -3.008 -3.045 1.00 0.21 C ATOM 409 CZ PHE A 27 5.389 -3.330 -3.383 1.00 0.23 C ATOM 0 H PHE A 27 4.305 1.854 -2.194 1.00 0.08 H new ATOM 0 HA PHE A 27 6.433 0.483 -0.660 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.022 1.425 -3.521 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.600 0.905 -2.964 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.063 -0.188 -3.433 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.096 -1.421 -2.582 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.414 -2.562 -3.784 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.448 -3.791 -2.940 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.107 -4.361 -3.536 1.00 0.23 H new ATOM 419 N SER A 28 7.073 2.885 0.187 1.00 0.11 N ATOM 420 CA SER A 28 7.794 4.127 0.582 1.00 0.12 C ATOM 421 C SER A 28 9.136 3.758 1.212 1.00 0.10 C ATOM 422 O SER A 28 9.607 2.644 1.097 1.00 0.11 O ATOM 423 CB SER A 28 6.942 4.884 1.604 1.00 0.17 C ATOM 424 OG SER A 28 5.854 5.509 0.937 1.00 1.03 O ATOM 0 H SER A 28 6.685 2.350 0.964 1.00 0.11 H new ATOM 0 HA SER A 28 7.968 4.752 -0.294 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.571 4.198 2.365 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.547 5.632 2.117 1.00 0.17 H new ATOM 0 HG SER A 28 5.061 5.486 1.512 1.00 1.03 H new ATOM 430 N ALA A 29 9.744 4.691 1.886 1.00 0.10 N ATOM 431 CA ALA A 29 11.052 4.424 2.547 1.00 0.15 C ATOM 432 C ALA A 29 11.066 5.142 3.899 1.00 0.18 C ATOM 433 O ALA A 29 10.857 6.336 3.981 1.00 0.26 O ATOM 434 CB ALA A 29 12.182 4.946 1.655 1.00 0.19 C ATOM 0 H ALA A 29 9.387 5.639 2.009 1.00 0.10 H new ATOM 0 HA ALA A 29 11.194 3.354 2.702 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.142 4.753 2.134 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.149 4.438 0.691 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.061 6.019 1.504 1.00 0.19 H new ATOM 440 N THR A 30 11.273 4.413 4.959 1.00 0.18 N ATOM 441 CA THR A 30 11.259 5.039 6.314 1.00 0.23 C ATOM 442 C THR A 30 12.395 6.055 6.445 1.00 0.26 C ATOM 443 O THR A 30 12.326 6.971 7.242 1.00 0.31 O ATOM 444 CB THR A 30 11.425 3.948 7.377 1.00 0.26 C ATOM 445 OG1 THR A 30 11.311 4.527 8.669 1.00 0.32 O ATOM 446 CG2 THR A 30 12.800 3.286 7.234 1.00 0.28 C ATOM 0 H THR A 30 11.452 3.409 4.948 1.00 0.18 H new ATOM 0 HA THR A 30 10.309 5.555 6.456 1.00 0.23 H new ATOM 0 HB THR A 30 10.649 3.195 7.243 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.415 3.830 9.350 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.912 2.511 7.993 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.887 2.839 6.244 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.580 4.036 7.364 1.00 0.28 H new ATOM 454 N TRP A 31 13.445 5.900 5.685 1.00 0.26 N ATOM 455 CA TRP A 31 14.588 6.856 5.789 1.00 0.32 C ATOM 456 C TRP A 31 14.364 8.044 4.851 1.00 0.32 C ATOM 457 O TRP A 31 15.013 9.064 4.964 1.00 0.36 O ATOM 458 CB TRP A 31 15.888 6.134 5.413 1.00 0.34 C ATOM 459 CG TRP A 31 15.922 5.858 3.943 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.547 4.697 3.359 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.349 6.737 2.867 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.727 4.805 1.992 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.214 6.046 1.637 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.838 8.058 2.836 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.553 6.646 0.418 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.178 8.664 1.614 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.036 7.960 0.406 1.00 0.40 C ATOM 0 H TRP A 31 13.562 5.155 4.998 1.00 0.26 H new ATOM 0 HA TRP A 31 14.659 7.225 6.812 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.746 6.744 5.695 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.966 5.199 5.967 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.169 3.827 3.876 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.524 4.058 1.327 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.952 8.609 3.758 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.443 6.099 -0.507 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.551 9.678 1.603 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.299 8.432 -0.529 1.00 0.40 H new ATOM 478 N CYS A 32 13.455 7.919 3.922 1.00 0.28 N ATOM 479 CA CYS A 32 13.200 9.036 2.964 1.00 0.30 C ATOM 480 C CYS A 32 12.023 9.886 3.458 1.00 0.31 C ATOM 481 O CYS A 32 10.970 9.381 3.793 1.00 0.29 O ATOM 482 CB CYS A 32 12.891 8.437 1.586 1.00 0.28 C ATOM 483 SG CYS A 32 13.424 9.575 0.281 1.00 0.32 S ATOM 0 H CYS A 32 12.876 7.090 3.784 1.00 0.28 H new ATOM 0 HA CYS A 32 14.078 9.678 2.892 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.399 7.479 1.475 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.822 8.243 1.496 1.00 0.28 H new ATOM 488 N GLY A 33 12.213 11.177 3.523 1.00 0.34 N ATOM 489 CA GLY A 33 11.136 12.084 4.015 1.00 0.36 C ATOM 490 C GLY A 33 10.000 12.204 2.990 1.00 0.35 C ATOM 491 O GLY A 33 8.855 11.996 3.334 1.00 0.33 O ATOM 0 H GLY A 33 13.078 11.646 3.253 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.740 11.705 4.957 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.552 13.071 4.218 1.00 0.36 H new ATOM 495 N PRO A 34 10.331 12.561 1.770 1.00 0.37 N ATOM 496 CA PRO A 34 9.317 12.745 0.709 1.00 0.38 C ATOM 497 C PRO A 34 8.355 11.554 0.651 1.00 0.35 C ATOM 498 O PRO A 34 7.182 11.710 0.371 1.00 0.36 O ATOM 499 CB PRO A 34 10.137 12.875 -0.590 1.00 0.42 C ATOM 500 CG PRO A 34 11.615 13.092 -0.176 1.00 0.44 C ATOM 501 CD PRO A 34 11.725 12.797 1.333 1.00 0.40 C ATOM 0 HA PRO A 34 8.688 13.618 0.883 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.036 11.978 -1.201 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.778 13.711 -1.190 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.272 12.433 -0.744 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.926 14.114 -0.390 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.352 11.926 1.522 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.172 13.634 1.869 1.00 0.40 H new ATOM 509 N ALA A 35 8.829 10.370 0.920 1.00 0.33 N ATOM 510 CA ALA A 35 7.924 9.185 0.888 1.00 0.32 C ATOM 511 C ALA A 35 7.094 9.151 2.176 1.00 0.39 C ATOM 512 O ALA A 35 5.878 9.191 2.146 1.00 0.81 O ATOM 513 CB ALA A 35 8.768 7.913 0.772 1.00 0.36 C ATOM 0 H ALA A 35 9.800 10.171 1.160 1.00 0.33 H new ATOM 0 HA ALA A 35 7.252 9.249 0.032 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.113 7.042 0.748 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.357 7.949 -0.145 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.436 7.840 1.630 1.00 0.36 H new ATOM 519 N LYS A 36 7.743 9.091 3.306 1.00 0.30 N ATOM 520 CA LYS A 36 7.009 9.070 4.604 1.00 0.28 C ATOM 521 C LYS A 36 6.144 10.328 4.731 1.00 0.24 C ATOM 522 O LYS A 36 5.206 10.370 5.502 1.00 0.25 O ATOM 523 CB LYS A 36 8.032 9.032 5.745 1.00 0.35 C ATOM 524 CG LYS A 36 7.317 9.090 7.101 1.00 0.38 C ATOM 525 CD LYS A 36 8.324 8.848 8.238 1.00 0.49 C ATOM 526 CE LYS A 36 9.215 10.083 8.430 1.00 1.22 C ATOM 527 NZ LYS A 36 10.029 9.919 9.668 1.00 1.92 N ATOM 0 H LYS A 36 8.759 9.055 3.387 1.00 0.30 H new ATOM 0 HA LYS A 36 6.365 8.192 4.651 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.628 8.122 5.679 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.721 9.871 5.653 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.839 10.061 7.228 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.528 8.339 7.137 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.792 8.627 9.163 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.940 7.978 8.009 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.868 10.212 7.567 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.601 10.981 8.502 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 10.633 10.755 9.799 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.397 9.816 10.488 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.625 9.071 9.582 1.00 1.92 H new ATOM 541 N MET A 37 6.466 11.358 3.998 1.00 0.23 N ATOM 542 CA MET A 37 5.678 12.618 4.094 1.00 0.24 C ATOM 543 C MET A 37 4.210 12.342 3.763 1.00 0.20 C ATOM 544 O MET A 37 3.333 13.104 4.122 1.00 0.20 O ATOM 545 CB MET A 37 6.248 13.649 3.111 1.00 0.29 C ATOM 546 CG MET A 37 5.572 15.013 3.311 1.00 1.31 C ATOM 547 SD MET A 37 4.015 15.066 2.388 1.00 2.12 S ATOM 548 CE MET A 37 3.318 16.523 3.205 1.00 3.13 C ATOM 0 H MET A 37 7.242 11.381 3.336 1.00 0.23 H new ATOM 0 HA MET A 37 5.743 13.009 5.110 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.324 13.745 3.258 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.095 13.307 2.087 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.383 15.184 4.371 1.00 1.31 H new ATOM 0 HG3 MET A 37 6.234 15.810 2.972 1.00 1.31 H new ATOM 0 HE1 MET A 37 2.337 16.742 2.783 1.00 3.13 H new ATOM 0 HE2 MET A 37 3.219 16.329 4.273 1.00 3.13 H new ATOM 0 HE3 MET A 37 3.978 17.377 3.052 1.00 3.13 H new ATOM 558 N ILE A 38 3.934 11.269 3.068 1.00 0.18 N ATOM 559 CA ILE A 38 2.520 10.962 2.692 1.00 0.15 C ATOM 560 C ILE A 38 1.914 9.967 3.682 1.00 0.16 C ATOM 561 O ILE A 38 0.783 9.549 3.533 1.00 0.16 O ATOM 562 CB ILE A 38 2.491 10.364 1.278 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.521 11.092 0.408 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.092 10.535 0.662 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.352 10.667 -1.052 1.00 0.28 C ATOM 0 H ILE A 38 4.625 10.592 2.744 1.00 0.18 H new ATOM 0 HA ILE A 38 1.936 11.882 2.716 1.00 0.15 H new ATOM 0 HB ILE A 38 2.729 9.302 1.330 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.393 12.170 0.500 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.530 10.860 0.750 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.081 10.108 -0.341 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.356 10.023 1.282 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.846 11.595 0.607 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.085 11.186 -1.669 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.502 9.591 -1.137 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.348 10.921 -1.391 1.00 0.28 H new ATOM 577 N LYS A 39 2.643 9.571 4.694 1.00 0.19 N ATOM 578 CA LYS A 39 2.057 8.595 5.649 1.00 0.22 C ATOM 579 C LYS A 39 0.803 9.172 6.331 1.00 0.20 C ATOM 580 O LYS A 39 -0.100 8.418 6.624 1.00 0.21 O ATOM 581 CB LYS A 39 3.092 8.113 6.702 1.00 0.31 C ATOM 582 CG LYS A 39 3.257 9.121 7.855 1.00 0.34 C ATOM 583 CD LYS A 39 3.894 8.444 9.081 1.00 0.45 C ATOM 584 CE LYS A 39 2.934 7.422 9.712 1.00 1.16 C ATOM 585 NZ LYS A 39 3.322 6.054 9.267 1.00 1.62 N ATOM 0 H LYS A 39 3.596 9.875 4.895 1.00 0.19 H new ATOM 0 HA LYS A 39 1.759 7.721 5.070 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.777 7.150 7.105 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.056 7.956 6.217 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.879 9.955 7.530 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.285 9.534 8.125 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.817 7.946 8.786 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.162 9.200 9.819 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.973 7.490 10.799 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.907 7.637 9.416 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.475 5.537 8.956 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.995 6.124 8.477 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.768 5.545 10.057 1.00 1.62 H new ATOM 599 N PRO A 40 0.745 10.464 6.611 1.00 0.20 N ATOM 600 CA PRO A 40 -0.433 11.005 7.312 1.00 0.21 C ATOM 601 C PRO A 40 -1.688 10.843 6.456 1.00 0.17 C ATOM 602 O PRO A 40 -2.782 11.127 6.893 1.00 0.20 O ATOM 603 CB PRO A 40 -0.114 12.483 7.568 1.00 0.24 C ATOM 604 CG PRO A 40 1.288 12.771 6.975 1.00 0.25 C ATOM 605 CD PRO A 40 1.767 11.489 6.264 1.00 0.21 C ATOM 0 HA PRO A 40 -0.633 10.478 8.245 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.865 13.122 7.103 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.129 12.698 8.636 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.243 13.604 6.273 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.986 13.055 7.763 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.833 11.634 5.186 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.758 11.192 6.606 1.00 0.21 H new ATOM 613 N PHE A 41 -1.536 10.389 5.240 1.00 0.14 N ATOM 614 CA PHE A 41 -2.720 10.196 4.352 1.00 0.14 C ATOM 615 C PHE A 41 -2.934 8.699 4.133 1.00 0.11 C ATOM 616 O PHE A 41 -3.846 8.105 4.670 1.00 0.13 O ATOM 617 CB PHE A 41 -2.458 10.871 3.005 1.00 0.15 C ATOM 618 CG PHE A 41 -2.693 12.356 3.129 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.697 13.177 3.683 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.904 12.915 2.690 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.913 14.559 3.796 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.119 14.298 2.802 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.123 15.120 3.357 1.00 0.27 C ATOM 0 H PHE A 41 -0.639 10.143 4.822 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.605 10.635 4.813 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.434 10.680 2.684 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.114 10.451 2.243 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.767 12.745 4.021 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.669 12.282 2.267 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.148 15.192 4.221 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.049 14.730 2.462 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.288 16.184 3.446 1.00 0.27 H new ATOM 633 N PHE A 42 -2.090 8.092 3.347 1.00 0.10 N ATOM 634 CA PHE A 42 -2.226 6.634 3.068 1.00 0.11 C ATOM 635 C PHE A 42 -2.489 5.862 4.366 1.00 0.11 C ATOM 636 O PHE A 42 -3.472 5.158 4.490 1.00 0.12 O ATOM 637 CB PHE A 42 -0.927 6.142 2.422 1.00 0.13 C ATOM 638 CG PHE A 42 -0.964 4.642 2.275 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.706 4.070 1.234 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.251 3.819 3.165 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.736 2.680 1.076 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.284 2.425 3.010 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.027 1.855 1.964 1.00 0.10 C ATOM 0 H PHE A 42 -1.305 8.547 2.882 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.068 6.466 2.397 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.796 6.609 1.446 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.073 6.436 3.032 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.256 4.702 0.552 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.322 4.260 3.967 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.305 2.241 0.270 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.261 1.792 3.694 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.053 0.782 1.842 1.00 0.10 H new ATOM 653 N HIS A 43 -1.623 5.983 5.332 1.00 0.14 N ATOM 654 CA HIS A 43 -1.831 5.249 6.615 1.00 0.16 C ATOM 655 C HIS A 43 -3.063 5.801 7.344 1.00 0.16 C ATOM 656 O HIS A 43 -3.757 5.079 8.033 1.00 0.18 O ATOM 657 CB HIS A 43 -0.564 5.379 7.478 1.00 0.21 C ATOM 658 CG HIS A 43 -0.900 5.261 8.939 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.802 4.063 9.628 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.380 6.177 9.843 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.221 4.284 10.887 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.586 5.556 11.072 1.00 0.39 N ATOM 0 H HIS A 43 -0.781 6.557 5.291 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.011 4.193 6.416 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.151 4.605 7.201 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.085 6.339 7.287 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.569 7.219 9.633 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.258 3.526 11.655 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.940 5.981 11.929 1.00 0.39 H new ATOM 670 N SER A 44 -3.346 7.067 7.199 1.00 0.20 N ATOM 671 CA SER A 44 -4.540 7.643 7.886 1.00 0.25 C ATOM 672 C SER A 44 -5.821 6.999 7.344 1.00 0.20 C ATOM 673 O SER A 44 -6.746 6.728 8.084 1.00 0.21 O ATOM 674 CB SER A 44 -4.592 9.152 7.643 1.00 0.34 C ATOM 675 OG SER A 44 -5.920 9.617 7.846 1.00 0.97 O ATOM 0 H SER A 44 -2.806 7.726 6.638 1.00 0.20 H new ATOM 0 HA SER A 44 -4.463 7.444 8.955 1.00 0.25 H new ATOM 0 HB2 SER A 44 -3.908 9.664 8.320 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.266 9.380 6.628 1.00 0.34 H new ATOM 0 HG SER A 44 -5.955 10.584 7.692 1.00 0.97 H new ATOM 681 N LEU A 45 -5.894 6.764 6.059 1.00 0.18 N ATOM 682 CA LEU A 45 -7.130 6.153 5.484 1.00 0.18 C ATOM 683 C LEU A 45 -7.505 4.899 6.277 1.00 0.16 C ATOM 684 O LEU A 45 -8.594 4.377 6.146 1.00 0.23 O ATOM 685 CB LEU A 45 -6.891 5.770 4.018 1.00 0.19 C ATOM 686 CG LEU A 45 -6.464 6.999 3.202 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.155 6.559 1.769 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.588 8.048 3.189 1.00 0.50 C ATOM 0 H LEU A 45 -5.155 6.968 5.386 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.941 6.879 5.542 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.121 5.001 3.958 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.800 5.344 3.595 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.578 7.444 3.656 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.851 7.424 1.180 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.349 5.825 1.779 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.045 6.113 1.325 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.271 8.913 2.607 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.483 7.617 2.740 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.808 8.358 4.210 1.00 0.50 H new ATOM 700 N SER A 46 -6.620 4.414 7.102 1.00 0.20 N ATOM 701 CA SER A 46 -6.938 3.199 7.905 1.00 0.25 C ATOM 702 C SER A 46 -8.190 3.454 8.751 1.00 0.17 C ATOM 703 O SER A 46 -8.999 2.570 8.955 1.00 0.15 O ATOM 704 CB SER A 46 -5.761 2.869 8.823 1.00 0.36 C ATOM 705 OG SER A 46 -4.570 2.802 8.052 1.00 0.51 O ATOM 0 H SER A 46 -5.691 4.805 7.256 1.00 0.20 H new ATOM 0 HA SER A 46 -7.120 2.361 7.233 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.664 3.630 9.598 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.934 1.919 9.329 1.00 0.36 H new ATOM 0 HG SER A 46 -3.931 3.469 8.379 1.00 0.51 H new ATOM 711 N GLU A 47 -8.349 4.651 9.255 1.00 0.21 N ATOM 712 CA GLU A 47 -9.541 4.959 10.103 1.00 0.21 C ATOM 713 C GLU A 47 -10.661 5.554 9.244 1.00 0.18 C ATOM 714 O GLU A 47 -11.807 5.587 9.647 1.00 0.18 O ATOM 715 CB GLU A 47 -9.142 5.965 11.188 1.00 0.32 C ATOM 716 CG GLU A 47 -7.809 5.542 11.810 1.00 0.39 C ATOM 717 CD GLU A 47 -7.532 6.387 13.057 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.685 7.595 12.976 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.174 5.810 14.071 1.00 2.00 O ATOM 0 H GLU A 47 -7.705 5.429 9.116 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.899 4.039 10.564 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.055 6.963 10.759 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.914 6.014 11.955 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.839 4.485 12.074 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.003 5.667 11.087 1.00 0.39 H new ATOM 726 N LYS A 48 -10.346 6.020 8.064 1.00 0.18 N ATOM 727 CA LYS A 48 -11.402 6.607 7.187 1.00 0.17 C ATOM 728 C LYS A 48 -11.988 5.505 6.302 1.00 0.15 C ATOM 729 O LYS A 48 -13.102 5.601 5.830 1.00 0.18 O ATOM 730 CB LYS A 48 -10.781 7.702 6.310 1.00 0.21 C ATOM 731 CG LYS A 48 -11.880 8.623 5.769 1.00 0.26 C ATOM 732 CD LYS A 48 -11.242 9.767 4.977 1.00 1.09 C ATOM 733 CE LYS A 48 -12.341 10.628 4.348 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.348 10.981 5.388 1.00 2.16 N ATOM 0 H LYS A 48 -9.405 6.020 7.670 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.194 7.041 7.798 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.062 8.281 6.890 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.233 7.251 5.483 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.560 8.059 5.130 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.473 9.022 6.592 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.620 10.375 5.634 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.590 9.367 4.201 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -11.910 11.534 3.921 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.819 10.087 3.531 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.891 11.812 5.078 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -13.995 10.179 5.531 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.863 11.198 6.282 1.00 2.16 H new ATOM 748 N TYR A 49 -11.240 4.455 6.084 1.00 0.13 N ATOM 749 CA TYR A 49 -11.735 3.325 5.242 1.00 0.13 C ATOM 750 C TYR A 49 -11.405 2.003 5.934 1.00 0.11 C ATOM 751 O TYR A 49 -10.543 1.263 5.501 1.00 0.11 O ATOM 752 CB TYR A 49 -11.058 3.374 3.867 1.00 0.15 C ATOM 753 CG TYR A 49 -11.742 4.418 3.014 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.024 4.166 2.504 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.105 5.640 2.741 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.671 5.132 1.721 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.753 6.609 1.959 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.036 6.356 1.448 1.00 0.21 C ATOM 759 OH TYR A 49 -13.674 7.306 0.678 1.00 0.24 O ATOM 0 H TYR A 49 -10.299 4.331 6.457 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.814 3.409 5.111 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.000 3.613 3.977 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.116 2.398 3.385 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.513 3.227 2.715 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.117 5.834 3.133 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.657 4.936 1.327 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.265 7.549 1.750 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.098 8.094 0.586 1.00 0.24 H new ATOM 769 N SER A 50 -12.087 1.698 7.001 1.00 0.12 N ATOM 770 CA SER A 50 -11.818 0.421 7.718 1.00 0.13 C ATOM 771 C SER A 50 -12.231 -0.750 6.822 1.00 0.13 C ATOM 772 O SER A 50 -12.056 -1.901 7.166 1.00 0.14 O ATOM 773 CB SER A 50 -12.629 0.388 9.014 1.00 0.16 C ATOM 774 OG SER A 50 -14.013 0.468 8.705 1.00 0.17 O ATOM 0 H SER A 50 -12.820 2.278 7.409 1.00 0.12 H new ATOM 0 HA SER A 50 -10.757 0.344 7.955 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.420 -0.530 9.564 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.340 1.218 9.658 1.00 0.16 H new ATOM 0 HG SER A 50 -14.535 0.445 9.534 1.00 0.17 H new ATOM 780 N ASN A 51 -12.784 -0.456 5.673 1.00 0.13 N ATOM 781 CA ASN A 51 -13.224 -1.535 4.740 1.00 0.15 C ATOM 782 C ASN A 51 -12.126 -1.796 3.706 1.00 0.13 C ATOM 783 O ASN A 51 -12.263 -2.642 2.845 1.00 0.14 O ATOM 784 CB ASN A 51 -14.506 -1.079 4.032 1.00 0.17 C ATOM 785 CG ASN A 51 -15.112 -2.237 3.234 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.521 -2.716 2.288 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.284 -2.703 3.571 1.00 0.32 N ATOM 0 H ASN A 51 -12.951 0.493 5.339 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.415 -2.454 5.294 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.226 -0.718 4.766 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.285 -0.245 3.366 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.701 -3.468 3.040 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.783 -2.303 4.365 1.00 0.32 H new ATOM 794 N VAL A 52 -11.034 -1.080 3.786 1.00 0.11 N ATOM 795 CA VAL A 52 -9.918 -1.278 2.807 1.00 0.10 C ATOM 796 C VAL A 52 -8.687 -1.819 3.535 1.00 0.10 C ATOM 797 O VAL A 52 -8.454 -1.526 4.690 1.00 0.11 O ATOM 798 CB VAL A 52 -9.571 0.065 2.162 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.374 -0.106 1.214 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.784 0.581 1.379 1.00 0.12 C ATOM 0 H VAL A 52 -10.865 -0.362 4.491 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.228 -1.988 2.041 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.308 0.783 2.939 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.131 0.854 0.758 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.513 -0.468 1.776 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.627 -0.825 0.435 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.539 1.538 0.918 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.049 -0.138 0.604 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.627 0.710 2.058 1.00 0.12 H new ATOM 810 N ILE A 53 -7.896 -2.610 2.858 1.00 0.09 N ATOM 811 CA ILE A 53 -6.669 -3.182 3.488 1.00 0.09 C ATOM 812 C ILE A 53 -5.449 -2.377 3.020 1.00 0.09 C ATOM 813 O ILE A 53 -5.204 -2.240 1.838 1.00 0.14 O ATOM 814 CB ILE A 53 -6.517 -4.644 3.048 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.885 -5.357 3.060 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.525 -5.373 3.964 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.613 -5.163 4.399 1.00 0.17 C ATOM 0 H ILE A 53 -8.049 -2.886 1.888 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.746 -3.133 4.574 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.129 -4.662 2.029 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.504 -4.971 2.250 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.743 -6.421 2.874 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.426 -6.409 3.641 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.553 -4.882 3.912 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.890 -5.346 4.991 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.573 -5.679 4.370 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.005 -5.572 5.206 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.778 -4.100 4.573 1.00 0.17 H new ATOM 829 N PHE A 54 -4.687 -1.839 3.938 1.00 0.08 N ATOM 830 CA PHE A 54 -3.484 -1.031 3.559 1.00 0.08 C ATOM 831 C PHE A 54 -2.216 -1.770 3.979 1.00 0.08 C ATOM 832 O PHE A 54 -2.103 -2.249 5.090 1.00 0.11 O ATOM 833 CB PHE A 54 -3.540 0.321 4.274 1.00 0.08 C ATOM 834 CG PHE A 54 -4.739 1.093 3.781 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.754 1.580 2.465 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.838 1.320 4.627 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.864 2.296 1.994 1.00 0.10 C ATOM 838 CE2 PHE A 54 -6.949 2.036 4.155 1.00 0.09 C ATOM 839 CZ PHE A 54 -6.961 2.526 2.838 1.00 0.09 C ATOM 0 H PHE A 54 -4.846 -1.925 4.942 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.474 -0.879 2.480 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.605 0.173 5.352 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.626 0.884 4.084 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.910 1.403 1.815 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.828 0.944 5.639 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.874 2.671 0.981 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.795 2.210 4.804 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.815 3.080 2.476 1.00 0.09 H new ATOM 849 N LEU A 55 -1.263 -1.869 3.091 1.00 0.08 N ATOM 850 CA LEU A 55 0.010 -2.581 3.410 1.00 0.09 C ATOM 851 C LEU A 55 1.160 -1.564 3.403 1.00 0.09 C ATOM 852 O LEU A 55 0.989 -0.423 3.021 1.00 0.10 O ATOM 853 CB LEU A 55 0.268 -3.649 2.335 1.00 0.10 C ATOM 854 CG LEU A 55 -0.557 -4.921 2.602 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.043 -4.579 2.809 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.413 -5.868 1.403 1.00 0.12 C ATOM 0 H LEU A 55 -1.312 -1.483 2.148 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.059 -3.055 4.389 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.015 -3.248 1.353 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.329 -3.899 2.314 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.186 -5.398 3.509 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.604 -5.494 2.996 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.147 -3.909 3.663 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.432 -4.091 1.915 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.994 -6.773 1.582 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.779 -5.374 0.503 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.637 -6.131 1.271 1.00 0.12 H new ATOM 868 N GLU A 56 2.333 -1.972 3.817 1.00 0.09 N ATOM 869 CA GLU A 56 3.506 -1.043 3.828 1.00 0.09 C ATOM 870 C GLU A 56 4.759 -1.845 3.469 1.00 0.09 C ATOM 871 O GLU A 56 4.903 -2.986 3.861 1.00 0.10 O ATOM 872 CB GLU A 56 3.652 -0.420 5.226 1.00 0.09 C ATOM 873 CG GLU A 56 4.583 0.801 5.174 1.00 0.11 C ATOM 874 CD GLU A 56 4.437 1.614 6.464 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.150 1.016 7.489 1.00 1.24 O ATOM 876 OE2 GLU A 56 4.612 2.820 6.405 1.00 1.31 O ATOM 0 H GLU A 56 2.531 -2.916 4.150 1.00 0.09 H new ATOM 0 HA GLU A 56 3.365 -0.240 3.104 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.673 -0.123 5.603 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.050 -1.159 5.921 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.617 0.478 5.051 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.338 1.421 4.312 1.00 0.11 H new ATOM 883 N VAL A 57 5.649 -1.278 2.693 1.00 0.08 N ATOM 884 CA VAL A 57 6.869 -2.033 2.272 1.00 0.08 C ATOM 885 C VAL A 57 8.098 -1.117 2.311 1.00 0.09 C ATOM 886 O VAL A 57 8.056 0.017 1.875 1.00 0.14 O ATOM 887 CB VAL A 57 6.663 -2.542 0.831 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.011 -2.923 0.203 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.740 -3.770 0.833 1.00 0.09 C ATOM 0 H VAL A 57 5.584 -0.326 2.333 1.00 0.08 H new ATOM 0 HA VAL A 57 7.029 -2.870 2.952 1.00 0.08 H new ATOM 0 HB VAL A 57 6.206 -1.744 0.245 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.850 -3.281 -0.814 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.662 -2.049 0.182 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.479 -3.710 0.795 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.601 -4.122 -0.189 1.00 0.09 H new ATOM 0 HG22 VAL A 57 6.190 -4.562 1.432 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.774 -3.498 1.258 1.00 0.09 H new ATOM 899 N ASP A 58 9.202 -1.632 2.789 1.00 0.09 N ATOM 900 CA ASP A 58 10.468 -0.840 2.817 1.00 0.09 C ATOM 901 C ASP A 58 11.302 -1.255 1.601 1.00 0.10 C ATOM 902 O ASP A 58 11.800 -2.361 1.528 1.00 0.11 O ATOM 903 CB ASP A 58 11.238 -1.149 4.107 1.00 0.11 C ATOM 904 CG ASP A 58 12.242 -0.028 4.396 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.816 1.015 4.864 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.418 -0.233 4.147 1.00 1.08 O ATOM 0 H ASP A 58 9.281 -2.577 3.165 1.00 0.09 H new ATOM 0 HA ASP A 58 10.256 0.229 2.787 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.543 -1.250 4.940 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.760 -2.101 4.010 1.00 0.11 H new ATOM 911 N VAL A 59 11.419 -0.398 0.627 1.00 0.12 N ATOM 912 CA VAL A 59 12.172 -0.764 -0.609 1.00 0.15 C ATOM 913 C VAL A 59 13.661 -0.964 -0.309 1.00 0.18 C ATOM 914 O VAL A 59 14.406 -1.429 -1.147 1.00 0.27 O ATOM 915 CB VAL A 59 12.002 0.350 -1.647 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.548 0.376 -2.128 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.357 1.704 -1.017 1.00 0.22 C ATOM 0 H VAL A 59 11.026 0.543 0.631 1.00 0.12 H new ATOM 0 HA VAL A 59 11.774 -1.703 -0.995 1.00 0.15 H new ATOM 0 HB VAL A 59 12.665 0.162 -2.492 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.423 1.168 -2.867 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.297 -0.584 -2.579 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.888 0.563 -1.281 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.235 2.494 -1.758 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.697 1.896 -0.171 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.391 1.686 -0.674 1.00 0.22 H new ATOM 927 N ASP A 60 14.108 -0.599 0.863 1.00 0.16 N ATOM 928 CA ASP A 60 15.559 -0.747 1.192 1.00 0.18 C ATOM 929 C ASP A 60 15.787 -1.950 2.110 1.00 0.17 C ATOM 930 O ASP A 60 16.753 -2.672 1.964 1.00 0.18 O ATOM 931 CB ASP A 60 16.034 0.518 1.902 1.00 0.21 C ATOM 932 CG ASP A 60 16.100 1.674 0.904 1.00 0.24 C ATOM 933 OD1 ASP A 60 17.116 1.800 0.245 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.134 2.412 0.817 1.00 1.11 O ATOM 0 H ASP A 60 13.533 -0.205 1.607 1.00 0.16 H new ATOM 0 HA ASP A 60 16.117 -0.902 0.268 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.354 0.767 2.717 1.00 0.21 H new ATOM 0 HB3 ASP A 60 17.016 0.351 2.346 1.00 0.21 H new ATOM 939 N ASP A 61 14.924 -2.159 3.066 1.00 0.17 N ATOM 940 CA ASP A 61 15.112 -3.302 4.008 1.00 0.17 C ATOM 941 C ASP A 61 14.329 -4.518 3.502 1.00 0.16 C ATOM 942 O ASP A 61 14.550 -5.630 3.938 1.00 0.18 O ATOM 943 CB ASP A 61 14.615 -2.893 5.398 1.00 0.19 C ATOM 944 CG ASP A 61 14.744 -4.074 6.362 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.887 -4.941 6.322 1.00 1.07 O ATOM 946 OD2 ASP A 61 15.697 -4.089 7.124 1.00 1.12 O ATOM 0 H ASP A 61 14.096 -1.588 3.237 1.00 0.17 H new ATOM 0 HA ASP A 61 16.168 -3.565 4.067 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.194 -2.046 5.767 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.576 -2.569 5.342 1.00 0.19 H new ATOM 951 N ALA A 62 13.435 -4.315 2.568 1.00 0.16 N ATOM 952 CA ALA A 62 12.649 -5.455 2.001 1.00 0.16 C ATOM 953 C ALA A 62 12.814 -5.459 0.479 1.00 0.16 C ATOM 954 O ALA A 62 11.855 -5.525 -0.264 1.00 0.15 O ATOM 955 CB ALA A 62 11.168 -5.286 2.356 1.00 0.17 C ATOM 0 H ALA A 62 13.214 -3.402 2.170 1.00 0.16 H new ATOM 0 HA ALA A 62 13.010 -6.396 2.416 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.597 -6.117 1.942 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.053 -5.271 3.440 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.799 -4.349 1.939 1.00 0.17 H new ATOM 961 N GLN A 63 14.031 -5.375 0.014 1.00 0.20 N ATOM 962 CA GLN A 63 14.279 -5.357 -1.457 1.00 0.22 C ATOM 963 C GLN A 63 13.657 -6.593 -2.113 1.00 0.20 C ATOM 964 O GLN A 63 13.569 -6.681 -3.322 1.00 0.20 O ATOM 965 CB GLN A 63 15.791 -5.350 -1.715 1.00 0.29 C ATOM 966 CG GLN A 63 16.471 -6.394 -0.820 1.00 0.90 C ATOM 967 CD GLN A 63 17.877 -6.691 -1.347 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.647 -5.786 -1.604 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.245 -7.930 -1.522 1.00 2.22 N ATOM 0 H GLN A 63 14.869 -5.318 0.593 1.00 0.20 H new ATOM 0 HA GLN A 63 13.825 -4.463 -1.884 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.992 -5.569 -2.764 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.200 -4.360 -1.512 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.527 -6.027 0.205 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.880 -7.309 -0.799 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.599 -8.689 -1.306 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.179 -8.140 -1.874 1.00 2.22 H new ATOM 978 N ASP A 64 13.230 -7.552 -1.338 1.00 0.19 N ATOM 979 CA ASP A 64 12.630 -8.776 -1.939 1.00 0.20 C ATOM 980 C ASP A 64 11.277 -8.429 -2.564 1.00 0.17 C ATOM 981 O ASP A 64 10.944 -8.889 -3.637 1.00 0.19 O ATOM 982 CB ASP A 64 12.439 -9.839 -0.853 1.00 0.22 C ATOM 983 CG ASP A 64 11.882 -9.184 0.413 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.666 -8.616 1.156 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.682 -9.263 0.618 1.00 1.09 O ATOM 0 H ASP A 64 13.270 -7.541 -0.319 1.00 0.19 H new ATOM 0 HA ASP A 64 13.294 -9.164 -2.711 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.757 -10.614 -1.204 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.390 -10.326 -0.635 1.00 0.22 H new ATOM 990 N VAL A 65 10.499 -7.614 -1.906 1.00 0.15 N ATOM 991 CA VAL A 65 9.175 -7.234 -2.471 1.00 0.16 C ATOM 992 C VAL A 65 9.392 -6.249 -3.623 1.00 0.16 C ATOM 993 O VAL A 65 8.824 -6.387 -4.688 1.00 0.19 O ATOM 994 CB VAL A 65 8.327 -6.577 -1.375 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.856 -6.549 -1.804 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.471 -7.375 -0.074 1.00 0.18 C ATOM 0 H VAL A 65 10.723 -7.196 -1.003 1.00 0.15 H new ATOM 0 HA VAL A 65 8.657 -8.119 -2.841 1.00 0.16 H new ATOM 0 HB VAL A 65 8.671 -5.555 -1.215 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.258 -6.081 -1.022 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.757 -5.978 -2.727 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.506 -7.568 -1.968 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.869 -6.910 0.707 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.130 -8.398 -0.235 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.517 -7.386 0.232 1.00 0.18 H new ATOM 1006 N ALA A 66 10.223 -5.262 -3.418 1.00 0.16 N ATOM 1007 CA ALA A 66 10.494 -4.274 -4.500 1.00 0.18 C ATOM 1008 C ALA A 66 11.145 -4.990 -5.686 1.00 0.19 C ATOM 1009 O ALA A 66 11.003 -4.585 -6.824 1.00 0.20 O ATOM 1010 CB ALA A 66 11.437 -3.190 -3.970 1.00 0.22 C ATOM 0 H ALA A 66 10.726 -5.098 -2.546 1.00 0.16 H new ATOM 0 HA ALA A 66 9.560 -3.814 -4.823 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.638 -2.465 -4.759 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.972 -2.685 -3.123 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.373 -3.647 -3.650 1.00 0.22 H new ATOM 1016 N SER A 67 11.861 -6.050 -5.428 1.00 0.21 N ATOM 1017 CA SER A 67 12.526 -6.792 -6.536 1.00 0.26 C ATOM 1018 C SER A 67 11.462 -7.384 -7.465 1.00 0.26 C ATOM 1019 O SER A 67 11.434 -7.104 -8.647 1.00 0.29 O ATOM 1020 CB SER A 67 13.383 -7.918 -5.953 1.00 0.31 C ATOM 1021 OG SER A 67 14.566 -7.362 -5.396 1.00 1.29 O ATOM 0 H SER A 67 12.014 -6.435 -4.496 1.00 0.21 H new ATOM 0 HA SER A 67 13.161 -6.110 -7.102 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.825 -8.458 -5.188 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.636 -8.639 -6.731 1.00 0.31 H new ATOM 0 HG SER A 67 14.331 -6.777 -4.646 1.00 1.29 H new ATOM 1027 N GLU A 68 10.590 -8.201 -6.942 1.00 0.26 N ATOM 1028 CA GLU A 68 9.534 -8.809 -7.799 1.00 0.30 C ATOM 1029 C GLU A 68 8.637 -7.706 -8.366 1.00 0.31 C ATOM 1030 O GLU A 68 8.086 -7.833 -9.441 1.00 0.36 O ATOM 1031 CB GLU A 68 8.692 -9.776 -6.958 1.00 0.31 C ATOM 1032 CG GLU A 68 7.786 -10.612 -7.873 1.00 0.39 C ATOM 1033 CD GLU A 68 8.622 -11.657 -8.620 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.817 -11.720 -8.379 1.00 2.19 O ATOM 1035 OE2 GLU A 68 8.051 -12.379 -9.419 1.00 2.20 O ATOM 0 H GLU A 68 10.563 -8.474 -5.959 1.00 0.26 H new ATOM 0 HA GLU A 68 9.999 -9.353 -8.621 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.344 -10.431 -6.380 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.087 -9.218 -6.244 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.014 -11.105 -7.283 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.277 -9.964 -8.586 1.00 0.39 H new ATOM 1042 N ALA A 69 8.483 -6.623 -7.651 1.00 0.29 N ATOM 1043 CA ALA A 69 7.620 -5.513 -8.150 1.00 0.31 C ATOM 1044 C ALA A 69 8.456 -4.562 -9.013 1.00 0.29 C ATOM 1045 O ALA A 69 7.939 -3.644 -9.616 1.00 0.33 O ATOM 1046 CB ALA A 69 7.043 -4.748 -6.955 1.00 0.31 C ATOM 0 H ALA A 69 8.918 -6.459 -6.743 1.00 0.29 H new ATOM 0 HA ALA A 69 6.807 -5.922 -8.750 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.411 -3.935 -7.314 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.449 -5.426 -6.342 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.857 -4.338 -6.358 1.00 0.31 H new ATOM 1052 N GLU A 70 9.743 -4.783 -9.078 1.00 0.27 N ATOM 1053 CA GLU A 70 10.625 -3.902 -9.903 1.00 0.29 C ATOM 1054 C GLU A 70 10.253 -2.431 -9.694 1.00 0.25 C ATOM 1055 O GLU A 70 10.021 -1.700 -10.636 1.00 0.26 O ATOM 1056 CB GLU A 70 10.475 -4.260 -11.386 1.00 0.38 C ATOM 1057 CG GLU A 70 10.939 -5.705 -11.620 1.00 1.18 C ATOM 1058 CD GLU A 70 11.211 -5.926 -13.111 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.264 -6.178 -13.837 1.00 2.06 O ATOM 1060 OE2 GLU A 70 12.365 -5.838 -13.500 1.00 2.34 O ATOM 0 H GLU A 70 10.225 -5.540 -8.593 1.00 0.27 H new ATOM 0 HA GLU A 70 11.659 -4.055 -9.593 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.435 -4.148 -11.694 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.064 -3.576 -11.996 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.841 -5.905 -11.042 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.177 -6.402 -11.272 1.00 1.18 H new ATOM 1067 N VAL A 71 10.204 -1.989 -8.466 1.00 0.22 N ATOM 1068 CA VAL A 71 9.857 -0.562 -8.197 1.00 0.19 C ATOM 1069 C VAL A 71 11.082 0.315 -8.478 1.00 0.23 C ATOM 1070 O VAL A 71 12.186 -0.010 -8.094 1.00 0.28 O ATOM 1071 CB VAL A 71 9.433 -0.407 -6.734 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.856 0.994 -6.523 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.362 -1.447 -6.393 1.00 0.19 C ATOM 0 H VAL A 71 10.389 -2.554 -7.637 1.00 0.22 H new ATOM 0 HA VAL A 71 9.034 -0.254 -8.842 1.00 0.19 H new ATOM 0 HB VAL A 71 10.300 -0.554 -6.089 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.552 1.110 -5.483 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.613 1.740 -6.765 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.990 1.132 -7.171 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.063 -1.333 -5.351 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.495 -1.301 -7.037 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.765 -2.448 -6.548 1.00 0.19 H new ATOM 1083 N LYS A 72 10.894 1.416 -9.164 1.00 0.24 N ATOM 1084 CA LYS A 72 12.048 2.311 -9.497 1.00 0.29 C ATOM 1085 C LYS A 72 11.775 3.734 -8.998 1.00 0.26 C ATOM 1086 O LYS A 72 12.589 4.620 -9.164 1.00 0.27 O ATOM 1087 CB LYS A 72 12.240 2.343 -11.016 1.00 0.35 C ATOM 1088 CG LYS A 72 12.346 0.915 -11.555 1.00 0.43 C ATOM 1089 CD LYS A 72 12.776 0.952 -13.026 1.00 1.16 C ATOM 1090 CE LYS A 72 12.718 -0.458 -13.620 1.00 1.66 C ATOM 1091 NZ LYS A 72 11.295 -0.861 -13.805 1.00 2.40 N ATOM 0 H LYS A 72 9.989 1.735 -9.509 1.00 0.24 H new ATOM 0 HA LYS A 72 12.946 1.927 -9.013 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.403 2.858 -11.487 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.141 2.904 -11.266 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.068 0.347 -10.969 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.387 0.407 -11.459 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.124 1.620 -13.588 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.787 1.350 -13.109 1.00 1.16 H new ATOM 0 HE2 LYS A 72 13.241 -0.483 -14.576 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.224 -1.163 -12.961 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 11.245 -1.670 -14.457 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 10.888 -1.131 -12.887 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 10.757 -0.064 -14.201 1.00 2.40 H new ATOM 1105 N ALA A 73 10.639 3.966 -8.393 1.00 0.22 N ATOM 1106 CA ALA A 73 10.322 5.341 -7.891 1.00 0.20 C ATOM 1107 C ALA A 73 9.395 5.234 -6.674 1.00 0.18 C ATOM 1108 O ALA A 73 8.432 4.499 -6.692 1.00 0.16 O ATOM 1109 CB ALA A 73 9.623 6.138 -9.001 1.00 0.21 C ATOM 0 H ALA A 73 9.917 3.266 -8.224 1.00 0.22 H new ATOM 0 HA ALA A 73 11.242 5.849 -7.604 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.391 7.140 -8.639 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.281 6.209 -9.867 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.700 5.632 -9.286 1.00 0.21 H new ATOM 1115 N THR A 74 9.678 5.963 -5.618 1.00 0.18 N ATOM 1116 CA THR A 74 8.807 5.901 -4.398 1.00 0.17 C ATOM 1117 C THR A 74 8.204 7.293 -4.144 1.00 0.17 C ATOM 1118 O THR A 74 8.828 8.285 -4.460 1.00 0.19 O ATOM 1119 CB THR A 74 9.649 5.494 -3.174 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.817 6.297 -3.117 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.061 4.015 -3.253 1.00 0.19 C ATOM 0 H THR A 74 10.474 6.598 -5.548 1.00 0.18 H new ATOM 0 HA THR A 74 8.016 5.167 -4.556 1.00 0.17 H new ATOM 0 HB THR A 74 9.044 5.640 -2.279 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.353 6.040 -2.338 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.654 3.755 -2.376 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.169 3.390 -3.285 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.653 3.850 -4.153 1.00 0.19 H new ATOM 1129 N PRO A 75 7.027 7.348 -3.551 1.00 0.17 N ATOM 1130 CA PRO A 75 6.232 6.164 -3.150 1.00 0.16 C ATOM 1131 C PRO A 75 5.566 5.534 -4.380 1.00 0.14 C ATOM 1132 O PRO A 75 5.145 6.227 -5.286 1.00 0.14 O ATOM 1133 CB PRO A 75 5.157 6.729 -2.206 1.00 0.17 C ATOM 1134 CG PRO A 75 5.194 8.272 -2.330 1.00 0.20 C ATOM 1135 CD PRO A 75 6.408 8.639 -3.199 1.00 0.19 C ATOM 0 HA PRO A 75 6.842 5.391 -2.681 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.172 6.346 -2.474 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.350 6.422 -1.178 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.274 8.642 -2.782 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.274 8.734 -1.346 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.104 9.188 -4.091 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.105 9.276 -2.655 1.00 0.19 H new ATOM 1143 N THR A 76 5.440 4.232 -4.403 1.00 0.13 N ATOM 1144 CA THR A 76 4.760 3.560 -5.553 1.00 0.12 C ATOM 1145 C THR A 76 3.486 2.919 -5.026 1.00 0.12 C ATOM 1146 O THR A 76 3.532 2.026 -4.204 1.00 0.18 O ATOM 1147 CB THR A 76 5.658 2.464 -6.149 1.00 0.12 C ATOM 1148 OG1 THR A 76 7.002 2.910 -6.152 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.225 2.152 -7.587 1.00 0.13 C ATOM 0 H THR A 76 5.779 3.604 -3.674 1.00 0.13 H new ATOM 0 HA THR A 76 4.545 4.293 -6.331 1.00 0.12 H new ATOM 0 HB THR A 76 5.568 1.561 -5.545 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.065 3.757 -6.641 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.868 1.374 -8.000 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.191 1.807 -7.589 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.308 3.052 -8.196 1.00 0.13 H new ATOM 1157 N PHE A 77 2.350 3.356 -5.486 1.00 0.09 N ATOM 1158 CA PHE A 77 1.083 2.749 -4.997 1.00 0.09 C ATOM 1159 C PHE A 77 0.678 1.638 -5.951 1.00 0.09 C ATOM 1160 O PHE A 77 0.379 1.868 -7.105 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.026 3.799 -4.934 1.00 0.10 C ATOM 1162 CG PHE A 77 0.271 4.772 -3.822 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.003 4.409 -2.494 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.812 6.038 -4.110 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.262 5.313 -1.454 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.078 6.940 -3.068 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.803 6.578 -1.740 1.00 0.12 C ATOM 0 H PHE A 77 2.243 4.101 -6.174 1.00 0.09 H new ATOM 0 HA PHE A 77 1.237 2.350 -3.994 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.097 4.327 -5.885 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -0.989 3.318 -4.764 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.417 3.436 -2.273 1.00 0.09 H new ATOM 0 HD2 PHE A 77 1.023 6.316 -5.132 1.00 0.14 H new ATOM 0 HE1 PHE A 77 0.050 5.036 -0.432 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.494 7.912 -3.288 1.00 0.15 H new ATOM 0 HZ PHE A 77 1.007 7.272 -0.938 1.00 0.12 H new ATOM 1177 N GLN A 78 0.659 0.435 -5.461 1.00 0.07 N ATOM 1178 CA GLN A 78 0.263 -0.721 -6.304 1.00 0.07 C ATOM 1179 C GLN A 78 -1.011 -1.300 -5.703 1.00 0.06 C ATOM 1180 O GLN A 78 -1.176 -1.340 -4.500 1.00 0.07 O ATOM 1181 CB GLN A 78 1.389 -1.760 -6.295 1.00 0.08 C ATOM 1182 CG GLN A 78 2.738 -1.048 -6.432 1.00 0.12 C ATOM 1183 CD GLN A 78 3.830 -2.072 -6.746 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.592 -3.036 -7.445 1.00 0.81 O ATOM 1185 NE2 GLN A 78 5.027 -1.900 -6.256 1.00 1.03 N ATOM 0 H GLN A 78 0.904 0.200 -4.499 1.00 0.07 H new ATOM 0 HA GLN A 78 0.087 -0.423 -7.337 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.361 -2.335 -5.369 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.253 -2.467 -7.114 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.687 -0.301 -7.224 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.976 -0.519 -5.509 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.226 -1.090 -5.669 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.764 -2.576 -6.460 1.00 1.03 H new ATOM 1194 N PHE A 79 -1.935 -1.692 -6.530 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.234 -2.205 -6.013 1.00 0.07 C ATOM 1196 C PHE A 79 -3.336 -3.704 -6.266 1.00 0.07 C ATOM 1197 O PHE A 79 -3.074 -4.186 -7.350 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.362 -1.469 -6.739 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.346 -0.014 -6.327 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.294 0.817 -6.741 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.367 0.507 -5.517 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.261 2.164 -6.351 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.333 1.853 -5.120 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.280 2.682 -5.537 1.00 0.11 C ATOM 0 H PHE A 79 -1.848 -1.680 -7.546 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.308 -2.033 -4.939 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.235 -1.556 -7.818 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.324 -1.919 -6.494 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.506 0.418 -7.363 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.180 -0.129 -5.199 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.452 2.802 -6.677 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.117 2.251 -4.493 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.254 3.718 -5.232 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.717 -4.441 -5.259 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.849 -5.917 -5.400 1.00 0.08 C ATOM 1216 C PHE A 80 -5.245 -6.320 -4.937 1.00 0.11 C ATOM 1217 O PHE A 80 -5.879 -5.633 -4.158 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.795 -6.610 -4.531 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.442 -6.532 -5.205 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.078 -7.493 -6.163 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.549 -5.501 -4.874 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.179 -7.422 -6.786 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.706 -5.431 -5.496 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.070 -6.391 -6.452 1.00 0.14 C ATOM 0 H PHE A 80 -3.945 -4.078 -4.334 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.700 -6.213 -6.439 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.751 -6.136 -3.550 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.071 -7.652 -4.370 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.764 -8.286 -6.420 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.829 -4.761 -4.139 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.460 -8.161 -7.522 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.392 -4.638 -5.239 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.036 -6.336 -6.931 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.735 -7.421 -5.424 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.092 -7.877 -5.028 1.00 0.14 C ATOM 1236 C LYS A 81 -7.160 -9.386 -5.262 1.00 0.14 C ATOM 1237 O LYS A 81 -6.903 -9.861 -6.349 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.135 -7.137 -5.878 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.505 -7.153 -5.182 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.456 -6.170 -5.881 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.673 -5.903 -4.991 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.233 -5.268 -3.717 1.00 1.48 N ATOM 0 H LYS A 81 -5.250 -8.029 -6.084 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.297 -7.663 -3.979 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.816 -6.108 -6.042 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.213 -7.606 -6.859 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.924 -8.159 -5.207 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.393 -6.881 -4.133 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.937 -5.235 -6.092 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.777 -6.580 -6.839 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.378 -5.253 -5.508 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.195 -6.837 -4.782 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -11.766 -5.677 -2.923 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -10.217 -5.439 -3.577 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -11.409 -4.244 -3.761 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.471 -10.141 -4.245 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.527 -11.624 -4.397 1.00 0.20 C ATOM 1258 C LYS A 82 -6.167 -12.164 -4.851 1.00 0.20 C ATOM 1259 O LYS A 82 -6.086 -13.213 -5.460 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.581 -12.010 -5.439 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.986 -11.674 -4.925 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.035 -12.281 -5.870 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.353 -11.508 -5.754 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.166 -10.129 -6.284 1.00 1.67 N ATOM 0 H LYS A 82 -7.690 -9.794 -3.311 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.789 -12.054 -3.430 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.391 -11.479 -6.372 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.512 -13.075 -5.659 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.119 -12.066 -3.917 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.115 -10.593 -4.867 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.673 -12.248 -6.898 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.196 -13.330 -5.622 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -13.138 -12.020 -6.311 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.674 -11.469 -4.713 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.267 -9.443 -5.509 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -11.217 -10.043 -6.702 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.883 -9.937 -7.012 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.097 -11.474 -4.562 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.755 -11.977 -4.983 1.00 0.21 C ATOM 1280 C GLY A 83 -3.479 -11.565 -6.429 1.00 0.19 C ATOM 1281 O GLY A 83 -2.471 -11.930 -7.002 1.00 0.22 O ATOM 0 H GLY A 83 -5.092 -10.589 -4.056 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.983 -11.575 -4.327 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.718 -13.062 -4.891 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.364 -10.810 -7.026 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.153 -10.373 -8.441 1.00 0.17 C ATOM 1287 C GLN A 84 -3.943 -8.861 -8.487 1.00 0.16 C ATOM 1288 O GLN A 84 -4.496 -8.120 -7.700 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.385 -10.724 -9.273 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.651 -12.227 -9.183 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.974 -12.556 -9.875 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.016 -13.378 -10.769 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.063 -11.947 -9.496 1.00 2.08 N ATOM 0 H GLN A 84 -5.226 -10.476 -6.595 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.276 -10.880 -8.843 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.251 -10.169 -8.912 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.230 -10.433 -10.312 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.837 -12.779 -9.652 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.688 -12.538 -8.139 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.027 -11.257 -8.745 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.951 -12.160 -9.950 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.147 -8.398 -9.412 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.894 -6.933 -9.525 1.00 0.17 C ATOM 1304 C LYS A 85 -3.984 -6.300 -10.394 1.00 0.16 C ATOM 1305 O LYS A 85 -4.437 -6.886 -11.357 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.519 -6.706 -10.156 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.032 -5.293 -9.808 1.00 0.25 C ATOM 1308 CD LYS A 85 0.244 -4.951 -10.587 1.00 0.30 C ATOM 1309 CE LYS A 85 1.286 -6.069 -10.435 1.00 0.89 C ATOM 1310 NZ LYS A 85 2.638 -5.535 -10.769 1.00 1.70 N ATOM 0 H LYS A 85 -2.659 -8.974 -10.098 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.913 -6.473 -8.537 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.810 -7.449 -9.789 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.577 -6.828 -11.238 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.811 -4.567 -10.040 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -0.840 -5.223 -8.737 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.006 -4.809 -11.641 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.657 -4.010 -10.224 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.277 -6.454 -9.415 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.040 -6.903 -11.092 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 3.345 -6.291 -10.667 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 2.642 -5.188 -11.749 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.871 -4.753 -10.124 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.423 -5.117 -10.047 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.504 -4.446 -10.834 1.00 0.16 C ATOM 1326 C VAL A 86 -4.984 -3.134 -11.430 1.00 0.18 C ATOM 1327 O VAL A 86 -5.296 -2.791 -12.553 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.690 -4.157 -9.910 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.287 -5.477 -9.418 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.218 -3.327 -8.709 1.00 0.17 C ATOM 0 H VAL A 86 -4.078 -4.584 -9.249 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.819 -5.101 -11.647 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.448 -3.598 -10.458 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.131 -5.272 -8.760 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.626 -6.063 -10.272 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.529 -6.038 -8.871 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.064 -3.123 -8.053 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.458 -3.882 -8.159 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.796 -2.386 -9.061 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.199 -2.391 -10.695 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.675 -1.102 -11.239 1.00 0.18 C ATOM 1342 C GLY A 87 -2.515 -0.606 -10.376 1.00 0.10 C ATOM 1343 O GLY A 87 -2.098 -1.263 -9.442 1.00 0.08 O ATOM 0 H GLY A 87 -3.899 -2.618 -9.747 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.341 -1.240 -12.267 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.470 -0.356 -11.259 1.00 0.18 H new ATOM 1347 N GLU A 88 -1.983 0.547 -10.686 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.842 1.079 -9.888 1.00 0.10 C ATOM 1349 C GLU A 88 -0.520 2.512 -10.319 1.00 0.10 C ATOM 1350 O GLU A 88 -0.793 2.916 -11.432 1.00 0.11 O ATOM 1351 CB GLU A 88 0.398 0.203 -10.109 1.00 0.17 C ATOM 1352 CG GLU A 88 0.690 0.060 -11.610 1.00 0.25 C ATOM 1353 CD GLU A 88 -0.311 -0.908 -12.248 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.414 -2.024 -11.767 1.00 1.94 O ATOM 1355 OE2 GLU A 88 -0.957 -0.514 -13.204 1.00 2.04 O ATOM 0 H GLU A 88 -2.289 1.142 -11.456 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.120 1.070 -8.834 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.258 0.644 -9.605 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.240 -0.781 -9.667 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.627 1.034 -12.096 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.706 -0.305 -11.758 1.00 0.25 H new ATOM 1362 N PHE A 89 0.091 3.270 -9.449 1.00 0.09 N ATOM 1363 CA PHE A 89 0.474 4.668 -9.802 1.00 0.09 C ATOM 1364 C PHE A 89 1.403 5.229 -8.721 1.00 0.09 C ATOM 1365 O PHE A 89 1.141 5.114 -7.543 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.780 5.549 -9.965 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.377 5.948 -8.626 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.725 6.894 -7.813 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.605 5.401 -8.208 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.293 7.284 -6.592 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.171 5.793 -6.984 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.515 6.734 -6.177 1.00 0.11 C ATOM 0 H PHE A 89 0.343 2.980 -8.504 1.00 0.09 H new ATOM 0 HA PHE A 89 1.003 4.667 -10.755 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.521 6.446 -10.528 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.527 5.011 -10.548 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.215 7.320 -8.130 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.113 4.679 -8.830 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.789 8.009 -5.970 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.112 5.370 -6.664 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.951 7.035 -5.236 1.00 0.11 H new ATOM 1382 N SER A 90 2.496 5.829 -9.118 1.00 0.13 N ATOM 1383 CA SER A 90 3.454 6.406 -8.123 1.00 0.14 C ATOM 1384 C SER A 90 3.275 7.925 -8.092 1.00 0.14 C ATOM 1385 O SER A 90 2.270 8.448 -8.529 1.00 0.17 O ATOM 1386 CB SER A 90 4.888 6.067 -8.540 1.00 0.15 C ATOM 1387 OG SER A 90 5.308 6.965 -9.559 1.00 0.16 O ATOM 0 H SER A 90 2.769 5.945 -10.094 1.00 0.13 H new ATOM 0 HA SER A 90 3.261 5.990 -7.134 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.555 6.137 -7.681 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.940 5.040 -8.901 1.00 0.15 H new ATOM 0 HG SER A 90 5.908 7.638 -9.175 1.00 0.16 H new ATOM 1393 N GLY A 91 4.242 8.640 -7.587 1.00 0.12 N ATOM 1394 CA GLY A 91 4.122 10.128 -7.539 1.00 0.13 C ATOM 1395 C GLY A 91 3.295 10.534 -6.319 1.00 0.13 C ATOM 1396 O GLY A 91 2.298 9.919 -6.002 1.00 0.13 O ATOM 0 H GLY A 91 5.109 8.261 -7.206 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.112 10.582 -7.488 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.650 10.495 -8.450 1.00 0.13 H new ATOM 1400 N ALA A 92 3.710 11.557 -5.622 1.00 0.15 N ATOM 1401 CA ALA A 92 2.950 11.987 -4.411 1.00 0.17 C ATOM 1402 C ALA A 92 1.565 12.508 -4.802 1.00 0.15 C ATOM 1403 O ALA A 92 1.385 13.681 -5.061 1.00 0.16 O ATOM 1404 CB ALA A 92 3.716 13.100 -3.690 1.00 0.20 C ATOM 0 H ALA A 92 4.538 12.112 -5.837 1.00 0.15 H new ATOM 0 HA ALA A 92 2.835 11.126 -3.753 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.159 13.412 -2.807 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.696 12.731 -3.389 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.839 13.951 -4.360 1.00 0.20 H new ATOM 1410 N ASN A 93 0.581 11.651 -4.804 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.807 12.092 -5.128 1.00 0.13 C ATOM 1412 C ASN A 93 -1.760 11.407 -4.144 1.00 0.12 C ATOM 1413 O ASN A 93 -2.437 10.452 -4.472 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.150 11.704 -6.572 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.314 12.563 -7.075 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.585 12.604 -8.259 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.020 13.254 -6.222 1.00 1.15 N ATOM 0 H ASN A 93 0.679 10.658 -4.594 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.899 13.174 -5.039 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.279 11.843 -7.213 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.417 10.648 -6.622 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.798 13.827 -6.550 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.794 13.221 -5.228 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.780 11.871 -2.923 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.643 11.237 -1.886 1.00 0.20 C ATOM 1426 C LYS A 94 -4.118 11.358 -2.270 1.00 0.18 C ATOM 1427 O LYS A 94 -4.913 10.484 -1.982 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.406 11.926 -0.532 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.268 13.449 -0.728 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.785 13.857 -0.806 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.213 14.052 0.604 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.274 14.133 0.530 1.00 1.19 N ATOM 0 H LYS A 94 -1.232 12.667 -2.598 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.386 10.180 -1.813 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.235 11.712 0.143 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.504 11.529 -0.066 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.782 13.751 -1.641 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.751 13.972 0.097 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.217 13.091 -1.334 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.684 14.779 -1.378 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.616 14.962 1.049 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.511 13.224 1.247 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.680 13.926 1.465 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.625 13.440 -0.161 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.555 15.090 0.235 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.499 12.429 -2.905 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.928 12.589 -3.287 1.00 0.20 C ATOM 1448 C GLU A 95 -6.300 11.501 -4.296 1.00 0.17 C ATOM 1449 O GLU A 95 -7.444 11.105 -4.403 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.132 13.965 -3.924 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.716 15.062 -2.939 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.730 15.140 -1.794 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.573 14.399 -0.837 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -7.645 15.940 -1.894 1.00 1.86 O ATOM 0 H GLU A 95 -3.886 13.198 -3.175 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.559 12.502 -2.402 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.544 14.043 -4.838 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.177 14.094 -4.205 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -4.722 14.851 -2.544 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.658 16.022 -3.452 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.341 11.014 -5.032 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.632 9.949 -6.031 1.00 0.14 C ATOM 1463 C LYS A 96 -6.017 8.660 -5.303 1.00 0.12 C ATOM 1464 O LYS A 96 -6.891 7.936 -5.735 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.390 9.709 -6.894 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.783 8.987 -8.185 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.540 8.787 -9.055 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.953 8.253 -10.428 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.816 9.257 -11.109 1.00 2.05 N ATOM 0 H LYS A 96 -4.366 11.308 -4.985 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.459 10.260 -6.670 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.912 10.660 -7.130 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.662 9.114 -6.342 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.236 8.023 -7.952 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.530 9.568 -8.727 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.006 9.731 -9.167 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.855 8.089 -8.573 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.069 8.048 -11.032 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.490 7.311 -10.318 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.755 9.126 -12.139 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.802 9.132 -10.802 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -4.495 10.215 -10.862 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.374 8.363 -4.204 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.718 7.116 -3.459 1.00 0.11 C ATOM 1485 C LEU A 97 -7.225 7.088 -3.214 1.00 0.11 C ATOM 1486 O LEU A 97 -7.858 6.052 -3.277 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.993 7.088 -2.103 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.476 7.245 -2.294 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.832 7.657 -0.963 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.857 5.917 -2.765 1.00 0.13 C ATOM 0 H LEU A 97 -4.630 8.926 -3.792 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.410 6.251 -4.047 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.369 7.890 -1.467 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.205 6.149 -1.591 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.294 8.011 -3.048 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.756 7.768 -1.098 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.256 8.605 -0.632 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.026 6.891 -0.212 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.782 6.043 -2.896 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.044 5.144 -2.019 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.306 5.622 -3.713 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.804 8.223 -2.938 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.272 8.271 -2.691 1.00 0.14 C ATOM 1504 C GLU A 98 -10.015 7.912 -3.982 1.00 0.13 C ATOM 1505 O GLU A 98 -10.797 6.983 -4.025 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.660 9.685 -2.246 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.182 9.788 -2.093 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.537 11.101 -1.391 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.626 12.109 -2.072 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -11.709 11.076 -0.183 1.00 2.05 O ATOM 0 H GLU A 98 -7.324 9.120 -2.873 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.541 7.558 -1.911 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.174 9.923 -1.300 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.310 10.414 -2.977 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.660 9.746 -3.072 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.558 8.942 -1.517 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.783 8.654 -5.029 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.481 8.376 -6.315 1.00 0.14 C ATOM 1519 C ALA A 99 -10.171 6.954 -6.795 1.00 0.12 C ATOM 1520 O ALA A 99 -11.035 6.265 -7.297 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.015 9.382 -7.370 1.00 0.15 C ATOM 0 H ALA A 99 -9.138 9.444 -5.049 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.556 8.468 -6.162 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.524 9.182 -8.313 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.251 10.393 -7.038 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.938 9.288 -7.511 1.00 0.15 H new ATOM 1527 N THR A 100 -8.947 6.518 -6.667 1.00 0.11 N ATOM 1528 CA THR A 100 -8.588 5.149 -7.145 1.00 0.11 C ATOM 1529 C THR A 100 -9.280 4.094 -6.281 1.00 0.10 C ATOM 1530 O THR A 100 -9.840 3.140 -6.784 1.00 0.11 O ATOM 1531 CB THR A 100 -7.071 4.961 -7.063 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.429 6.076 -7.662 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.669 3.685 -7.805 1.00 0.12 C ATOM 0 H THR A 100 -8.180 7.048 -6.253 1.00 0.11 H new ATOM 0 HA THR A 100 -8.916 5.035 -8.178 1.00 0.11 H new ATOM 0 HB THR A 100 -6.771 4.880 -6.018 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.398 6.818 -7.022 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.589 3.554 -7.745 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.164 2.828 -7.349 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.967 3.763 -8.851 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.248 4.251 -4.987 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.912 3.250 -4.103 1.00 0.11 C ATOM 1543 C ILE A 101 -11.408 3.218 -4.427 1.00 0.13 C ATOM 1544 O ILE A 101 -11.976 2.170 -4.664 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.691 3.640 -2.630 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.244 3.295 -2.225 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.678 2.878 -1.732 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.893 3.927 -0.869 1.00 0.18 C ATOM 0 H ILE A 101 -8.793 5.026 -4.504 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.487 2.260 -4.270 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.859 4.710 -2.509 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.125 2.213 -2.169 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.553 3.652 -2.988 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.515 3.159 -0.692 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.699 3.128 -2.020 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.521 1.806 -1.847 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.868 3.671 -0.603 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.990 5.011 -0.936 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.572 3.549 -0.105 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.049 4.354 -4.448 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.507 4.379 -4.763 1.00 0.17 C ATOM 1562 C ASN A 102 -13.734 3.832 -6.175 1.00 0.18 C ATOM 1563 O ASN A 102 -14.836 3.473 -6.542 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.027 5.817 -4.678 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.557 5.807 -4.624 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.209 5.613 -5.631 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.158 6.004 -3.483 1.00 1.03 N ATOM 0 H ASN A 102 -11.628 5.264 -4.261 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.044 3.760 -4.044 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.625 6.308 -3.792 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.687 6.389 -5.541 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.177 5.995 -3.435 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.609 6.167 -2.639 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.702 3.770 -6.970 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.854 3.249 -8.359 1.00 0.18 C ATOM 1576 C GLU A 103 -12.941 1.722 -8.329 1.00 0.19 C ATOM 1577 O GLU A 103 -13.897 1.131 -8.794 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.638 3.675 -9.193 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.972 3.599 -10.688 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.897 4.757 -11.071 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.518 5.893 -10.838 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.967 4.487 -11.591 1.00 2.02 O ATOM 0 H GLU A 103 -11.757 4.058 -6.717 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.764 3.653 -8.802 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.344 4.691 -8.929 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.789 3.029 -8.969 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.056 3.643 -11.277 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.452 2.647 -10.915 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.931 1.079 -7.807 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.917 -0.413 -7.765 1.00 0.19 C ATOM 1591 C LEU A 104 -12.493 -0.914 -6.437 1.00 0.19 C ATOM 1592 O LEU A 104 -12.250 -2.033 -6.030 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.470 -0.891 -7.909 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.897 -0.413 -9.251 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.390 -0.675 -9.280 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.569 -1.164 -10.413 1.00 0.35 C ATOM 0 H LEU A 104 -11.108 1.527 -7.404 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.528 -0.806 -8.578 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.866 -0.506 -7.087 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.429 -1.979 -7.852 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.089 0.654 -9.360 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.980 -0.337 -10.232 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.911 -0.133 -8.465 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.204 -1.743 -9.164 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.154 -0.816 -11.359 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.387 -2.234 -10.308 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.642 -0.975 -10.396 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.261 -0.103 -5.761 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.859 -0.547 -4.468 1.00 0.22 C ATOM 1610 C VAL A 105 -14.806 -1.722 -4.728 1.00 0.26 C ATOM 1611 O VAL A 105 -15.124 -2.422 -3.781 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.639 0.613 -3.841 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.703 1.106 -4.829 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.316 0.148 -2.545 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.197 -1.898 -5.869 1.00 1.18 O ATOM 0 H VAL A 105 -13.500 0.846 -6.047 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.068 -0.860 -3.786 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.950 1.426 -3.611 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.258 1.931 -4.384 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.219 1.446 -5.745 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.389 0.291 -5.062 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.869 0.978 -2.105 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.003 -0.669 -2.766 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.558 -0.196 -1.842 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.359 1.407 6.884 1.00 0.00 N ATOM 1627 CA PHE B 1 22.353 1.960 5.499 1.00 0.00 C ATOM 1628 C PHE B 1 21.146 1.406 4.736 1.00 0.00 C ATOM 1629 O PHE B 1 21.012 0.212 4.552 1.00 0.00 O ATOM 1630 CB PHE B 1 23.648 1.563 4.783 1.00 0.00 C ATOM 1631 CG PHE B 1 23.529 1.875 3.308 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.507 3.211 2.880 1.00 0.00 C ATOM 1633 CD2 PHE B 1 23.423 0.834 2.369 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.381 3.508 1.514 1.00 0.00 C ATOM 1635 CE2 PHE B 1 23.300 1.133 1.003 1.00 0.00 C ATOM 1636 CZ PHE B 1 23.277 2.470 0.576 1.00 0.00 C ATOM 0 H1 PHE B 1 23.178 1.782 7.404 1.00 0.00 H new ATOM 0 H2 PHE B 1 21.483 1.683 7.372 1.00 0.00 H new ATOM 0 H3 PHE B 1 22.420 0.370 6.843 1.00 0.00 H new ATOM 0 HA PHE B 1 22.286 3.047 5.539 1.00 0.00 H new ATOM 0 HB2 PHE B 1 24.493 2.102 5.212 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.843 0.500 4.926 1.00 0.00 H new ATOM 0 HD1 PHE B 1 23.587 4.011 3.601 1.00 0.00 H new ATOM 0 HD2 PHE B 1 23.436 -0.195 2.698 1.00 0.00 H new ATOM 0 HE1 PHE B 1 23.364 4.536 1.185 1.00 0.00 H new ATOM 0 HE2 PHE B 1 23.223 0.334 0.280 1.00 0.00 H new ATOM 0 HZ PHE B 1 23.179 2.700 -0.475 1.00 0.00 H new ATOM 1648 N ARG B 2 20.266 2.266 4.294 1.00 0.00 N ATOM 1649 CA ARG B 2 19.062 1.798 3.547 1.00 0.00 C ATOM 1650 C ARG B 2 18.713 2.826 2.462 1.00 0.00 C ATOM 1651 O ARG B 2 17.768 3.577 2.586 1.00 0.00 O ATOM 1652 CB ARG B 2 17.883 1.644 4.529 1.00 0.00 C ATOM 1653 CG ARG B 2 17.873 0.232 5.162 1.00 0.00 C ATOM 1654 CD ARG B 2 18.772 0.176 6.417 1.00 0.00 C ATOM 1655 NE ARG B 2 17.972 -0.202 7.629 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.831 0.377 7.912 1.00 0.00 C ATOM 1657 NH1 ARG B 2 16.394 1.371 7.190 1.00 0.00 N ATOM 1658 NH2 ARG B 2 16.141 -0.024 8.949 1.00 0.00 N ATOM 0 H ARG B 2 20.330 3.276 4.419 1.00 0.00 H new ATOM 0 HA ARG B 2 19.264 0.835 3.078 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.956 2.398 5.313 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.943 1.819 4.005 1.00 0.00 H new ATOM 0 HG2 ARG B 2 16.853 -0.042 5.430 1.00 0.00 H new ATOM 0 HG3 ARG B 2 18.218 -0.499 4.431 1.00 0.00 H new ATOM 0 HD2 ARG B 2 19.573 -0.547 6.264 1.00 0.00 H new ATOM 0 HD3 ARG B 2 19.244 1.146 6.575 1.00 0.00 H new ATOM 0 HE ARG B 2 18.326 -0.930 8.250 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.942 1.705 6.397 1.00 0.00 H new ATOM 0 HH12 ARG B 2 15.505 1.815 7.418 1.00 0.00 H new ATOM 0 HH21 ARG B 2 16.492 -0.784 9.532 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.252 0.423 9.174 1.00 0.00 H new ATOM 1672 N PHE B 3 19.470 2.855 1.391 1.00 0.00 N ATOM 1673 CA PHE B 3 19.196 3.820 0.278 1.00 0.00 C ATOM 1674 C PHE B 3 19.035 3.041 -1.024 1.00 0.00 C ATOM 1675 O PHE B 3 19.928 2.334 -1.448 1.00 0.00 O ATOM 1676 CB PHE B 3 20.367 4.793 0.146 1.00 0.00 C ATOM 1677 CG PHE B 3 20.384 5.715 1.341 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.776 5.224 2.595 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.004 7.059 1.199 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.791 6.076 3.709 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.018 7.912 2.313 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.412 7.421 3.567 1.00 0.00 C ATOM 0 H PHE B 3 20.274 2.246 1.239 1.00 0.00 H new ATOM 0 HA PHE B 3 18.285 4.379 0.491 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.306 4.244 0.082 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.273 5.371 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.066 4.189 2.703 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.701 7.436 0.233 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.094 5.698 4.675 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.726 8.946 2.205 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.424 8.078 4.424 1.00 0.00 H new ATOM 1692 N ARG B 4 17.893 3.144 -1.651 1.00 0.00 N ATOM 1693 CA ARG B 4 17.655 2.391 -2.917 1.00 0.00 C ATOM 1694 C ARG B 4 17.653 3.373 -4.099 1.00 0.00 C ATOM 1695 O ARG B 4 18.669 3.586 -4.730 1.00 0.00 O ATOM 1696 CB ARG B 4 16.303 1.654 -2.809 1.00 0.00 C ATOM 1697 CG ARG B 4 16.477 0.138 -3.018 1.00 0.00 C ATOM 1698 CD ARG B 4 17.231 -0.157 -4.329 1.00 0.00 C ATOM 1699 NE ARG B 4 16.474 -1.150 -5.157 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.991 -2.249 -4.633 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.240 -2.555 -3.389 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.282 -3.063 -5.372 1.00 0.00 N ATOM 0 H ARG B 4 17.111 3.720 -1.339 1.00 0.00 H new ATOM 0 HA ARG B 4 18.445 1.658 -3.081 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.861 1.841 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.610 2.049 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.023 -0.288 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.500 -0.344 -3.040 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.368 0.766 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.225 -0.544 -4.105 1.00 0.00 H new ATOM 0 HE ARG B 4 16.332 -0.966 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG B 4 16.815 -1.936 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.860 -3.413 -2.989 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.107 -2.841 -6.352 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.904 -3.920 -4.968 1.00 0.00 H new ATOM 1716 N TYR B 5 16.529 3.979 -4.404 1.00 0.00 N ATOM 1717 CA TYR B 5 16.482 4.950 -5.543 1.00 0.00 C ATOM 1718 C TYR B 5 15.849 6.272 -5.087 1.00 0.00 C ATOM 1719 O TYR B 5 15.726 6.543 -3.910 1.00 0.00 O ATOM 1720 CB TYR B 5 15.704 4.349 -6.726 1.00 0.00 C ATOM 1721 CG TYR B 5 14.515 3.556 -6.241 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.664 2.204 -5.892 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.254 4.161 -6.167 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.552 1.461 -5.463 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.145 3.417 -5.744 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.293 2.070 -5.390 1.00 0.00 C ATOM 1727 OH TYR B 5 11.196 1.344 -4.977 1.00 0.00 O ATOM 0 H TYR B 5 15.645 3.843 -3.914 1.00 0.00 H new ATOM 0 HA TYR B 5 17.500 5.154 -5.874 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.368 5.147 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.362 3.705 -7.310 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.635 1.735 -5.954 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.137 5.200 -6.436 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.668 0.422 -5.190 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.173 3.884 -5.691 1.00 0.00 H new ATOM 0 HH TYR B 5 11.489 0.472 -4.639 1.00 0.00 H new ATOM 1737 N VAL B 6 15.512 7.126 -6.019 1.00 0.00 N ATOM 1738 CA VAL B 6 14.964 8.470 -5.665 1.00 0.00 C ATOM 1739 C VAL B 6 13.519 8.385 -5.165 1.00 0.00 C ATOM 1740 O VAL B 6 12.729 7.590 -5.635 1.00 0.00 O ATOM 1741 CB VAL B 6 14.993 9.361 -6.913 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.935 10.833 -6.501 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.278 9.097 -7.702 1.00 0.00 C ATOM 0 H VAL B 6 15.594 6.948 -7.020 1.00 0.00 H new ATOM 0 HA VAL B 6 15.580 8.883 -4.866 1.00 0.00 H new ATOM 0 HB VAL B 6 14.131 9.131 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.956 11.461 -7.392 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.015 11.020 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.793 11.068 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.297 9.731 -8.589 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.142 9.322 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.311 8.050 -8.004 1.00 0.00 H new ATOM 1753 N CYS B 7 13.163 9.254 -4.250 1.00 0.00 N ATOM 1754 CA CYS B 7 11.760 9.302 -3.745 1.00 0.00 C ATOM 1755 C CYS B 7 11.042 10.462 -4.437 1.00 0.00 C ATOM 1756 O CYS B 7 11.162 11.603 -4.038 1.00 0.00 O ATOM 1757 CB CYS B 7 11.749 9.529 -2.228 1.00 0.00 C ATOM 1758 SG CYS B 7 13.067 8.572 -1.439 1.00 0.00 S ATOM 0 H CYS B 7 13.793 9.937 -3.829 1.00 0.00 H new ATOM 0 HA CYS B 7 11.259 8.358 -3.959 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.881 10.589 -2.011 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.783 9.237 -1.817 1.00 0.00 H new ATOM 1763 N GLU B 8 10.309 10.188 -5.483 1.00 0.00 N ATOM 1764 CA GLU B 8 9.606 11.290 -6.200 1.00 0.00 C ATOM 1765 C GLU B 8 8.283 11.605 -5.495 1.00 0.00 C ATOM 1766 O GLU B 8 7.255 11.794 -6.120 1.00 0.00 O ATOM 1767 CB GLU B 8 9.336 10.872 -7.651 1.00 0.00 C ATOM 1768 CG GLU B 8 8.870 9.410 -7.688 1.00 0.00 C ATOM 1769 CD GLU B 8 8.024 9.169 -8.942 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.598 8.825 -9.962 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.818 9.330 -8.858 1.00 0.00 O ATOM 0 H GLU B 8 10.167 9.255 -5.870 1.00 0.00 H new ATOM 0 HA GLU B 8 10.234 12.181 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.576 11.518 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.240 10.991 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.732 8.743 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.288 9.181 -6.795 1.00 0.00 H new ATOM 1778 N GLY B 9 8.309 11.704 -4.194 1.00 0.00 N ATOM 1779 CA GLY B 9 7.066 12.060 -3.457 1.00 0.00 C ATOM 1780 C GLY B 9 6.746 13.526 -3.777 1.00 0.00 C ATOM 1781 O GLY B 9 6.750 13.891 -4.935 1.00 0.00 O ATOM 0 H GLY B 9 9.134 11.554 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.242 11.413 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.203 11.922 -2.384 1.00 0.00 H new ATOM 1785 N PRO B 10 6.497 14.350 -2.780 1.00 0.00 N ATOM 1786 CA PRO B 10 6.209 15.774 -3.041 1.00 0.00 C ATOM 1787 C PRO B 10 7.436 16.445 -3.667 1.00 0.00 C ATOM 1788 O PRO B 10 7.561 17.653 -3.678 1.00 0.00 O ATOM 1789 CB PRO B 10 5.887 16.378 -1.663 1.00 0.00 C ATOM 1790 CG PRO B 10 6.038 15.252 -0.609 1.00 0.00 C ATOM 1791 CD PRO B 10 6.467 13.969 -1.348 1.00 0.00 C ATOM 0 HA PRO B 10 5.383 15.915 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.562 17.204 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.875 16.782 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.780 15.527 0.140 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.097 15.093 -0.082 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.444 13.625 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.764 13.156 -1.170 1.00 0.00 H new ATOM 1799 N SER B 11 8.340 15.661 -4.188 1.00 0.00 N ATOM 1800 CA SER B 11 9.567 16.225 -4.817 1.00 0.00 C ATOM 1801 C SER B 11 9.236 16.727 -6.228 1.00 0.00 C ATOM 1802 O SER B 11 9.832 17.664 -6.719 1.00 0.00 O ATOM 1803 CB SER B 11 10.642 15.134 -4.888 1.00 0.00 C ATOM 1804 OG SER B 11 11.924 15.742 -4.967 1.00 0.00 O ATOM 0 H SER B 11 8.280 14.643 -4.205 1.00 0.00 H new ATOM 0 HA SER B 11 9.937 17.060 -4.222 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.584 14.493 -4.008 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.474 14.498 -5.757 1.00 0.00 H new ATOM 0 HG SER B 11 12.614 15.047 -5.011 1.00 0.00 H new ATOM 1810 N HIS B 12 8.290 16.109 -6.882 1.00 0.00 N ATOM 1811 CA HIS B 12 7.921 16.552 -8.257 1.00 0.00 C ATOM 1812 C HIS B 12 7.261 17.931 -8.187 1.00 0.00 C ATOM 1813 O HIS B 12 6.964 18.434 -7.123 1.00 0.00 O ATOM 1814 CB HIS B 12 6.941 15.545 -8.867 1.00 0.00 C ATOM 1815 CG HIS B 12 6.578 15.973 -10.262 1.00 0.00 C ATOM 1816 ND1 HIS B 12 7.509 16.509 -11.138 1.00 0.00 N ATOM 1817 CD2 HIS B 12 5.388 15.950 -10.948 1.00 0.00 C ATOM 1818 CE1 HIS B 12 6.871 16.784 -12.290 1.00 0.00 C ATOM 1819 NE2 HIS B 12 5.576 16.462 -12.228 1.00 0.00 N ATOM 0 H HIS B 12 7.757 15.317 -6.524 1.00 0.00 H new ATOM 0 HA HIS B 12 8.816 16.610 -8.876 1.00 0.00 H new ATOM 0 HB2 HIS B 12 7.390 14.552 -8.886 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.044 15.478 -8.252 1.00 0.00 H new ATOM 0 HD2 HIS B 12 4.449 15.589 -10.554 1.00 0.00 H new ATOM 0 HE1 HIS B 12 7.348 17.213 -13.159 1.00 0.00 H new ATOM 0 HE2 HIS B 12 4.875 16.569 -12.962 1.00 0.00 H new ATOM 1827 N GLY B 13 7.030 18.547 -9.315 1.00 0.00 N ATOM 1828 CA GLY B 13 6.391 19.893 -9.314 1.00 0.00 C ATOM 1829 C GLY B 13 7.377 20.926 -8.764 1.00 0.00 C ATOM 1830 O GLY B 13 7.042 21.572 -7.786 1.00 0.00 O ATOM 1831 OXT GLY B 13 8.450 21.051 -9.331 1.00 0.00 O ATOM 0 H GLY B 13 7.257 18.175 -10.237 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.090 20.165 -10.326 1.00 0.00 H new ATOM 0 HA3 GLY B 13 5.487 19.878 -8.705 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.826 -10.401 -1.503 1.00 0.24 O HETATM 1839 O HOH A 107 8.560 -2.958 5.208 1.00 0.40 O HETATM 1842 O HOH A 108 12.690 1.475 2.093 1.00 0.32 O HETATM 1845 O HOH A 109 -8.988 -8.647 -0.150 1.00 0.26 O HETATM 1848 O HOH A 110 -7.943 -13.173 0.306 1.00 0.21 O HETATM 1851 O HOH A 111 -12.175 -2.625 0.351 1.00 0.37 O