USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0263 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 25 GLN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.948 K(o=-0.95,f=-0.1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0156) USER MOD Single : A 50 ASN : amide:sc= -0.0846 X(o=-0.085,f=0.043) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.093) USER MOD Single : A 61 HIS : no HE2:sc= -1.93 K(o=-1.9,f=-3.6) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.05) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0571 USER MOD Single : A 67 TYR OH : rot -165:sc= -3.48! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= -0.128 (180deg=-0.202) USER MOD Single : A 72 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.38) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 62:sc= 0.00107 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0949 X(o=-0.095,f=-0.44) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0282 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.014 15.386 7.819 1.00 0.00 N ATOM 2 CA GLY A 1 20.240 16.443 7.195 1.00 0.00 C ATOM 3 C GLY A 1 19.703 16.042 5.835 1.00 0.00 C ATOM 4 O GLY A 1 20.319 15.246 5.127 1.00 0.00 O ATOM 0 H1 GLY A 1 20.475 14.982 8.611 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.212 14.642 7.120 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.911 15.775 8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.408 16.713 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.863 17.331 7.089 1.00 0.00 H new ATOM 8 N SER A 2 18.550 16.593 5.471 1.00 0.00 N ATOM 9 CA SER A 2 17.926 16.285 4.189 1.00 0.00 C ATOM 10 C SER A 2 16.936 17.375 3.790 1.00 0.00 C ATOM 11 O SER A 2 16.400 18.084 4.642 1.00 0.00 O ATOM 12 CB SER A 2 17.213 14.933 4.258 1.00 0.00 C ATOM 13 OG SER A 2 16.856 14.611 5.591 1.00 0.00 O ATOM 0 H SER A 2 18.029 17.255 6.045 1.00 0.00 H new ATOM 0 HA SER A 2 18.710 16.237 3.433 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.319 14.958 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.862 14.156 3.854 1.00 0.00 H new ATOM 0 HG SER A 2 16.400 13.743 5.607 1.00 0.00 H new ATOM 19 N SER A 3 16.699 17.502 2.488 1.00 0.00 N ATOM 20 CA SER A 3 15.778 18.509 1.974 1.00 0.00 C ATOM 21 C SER A 3 15.111 18.028 0.689 1.00 0.00 C ATOM 22 O SER A 3 15.672 17.220 -0.050 1.00 0.00 O ATOM 23 CB SER A 3 16.516 19.824 1.718 1.00 0.00 C ATOM 24 OG SER A 3 17.799 19.589 1.164 1.00 0.00 O ATOM 0 H SER A 3 17.132 16.920 1.770 1.00 0.00 H new ATOM 0 HA SER A 3 15.005 18.676 2.724 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.932 20.446 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.615 20.377 2.652 1.00 0.00 H new ATOM 0 HG SER A 3 18.250 20.445 1.008 1.00 0.00 H new ATOM 30 N GLY A 4 13.908 18.532 0.429 1.00 0.00 N ATOM 31 CA GLY A 4 13.184 18.144 -0.767 1.00 0.00 C ATOM 32 C GLY A 4 11.681 18.171 -0.569 1.00 0.00 C ATOM 33 O GLY A 4 11.191 17.978 0.543 1.00 0.00 O ATOM 0 H GLY A 4 13.422 19.202 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.452 18.814 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.490 17.141 -1.064 1.00 0.00 H new ATOM 37 N SER A 5 10.948 18.414 -1.651 1.00 0.00 N ATOM 38 CA SER A 5 9.492 18.472 -1.590 1.00 0.00 C ATOM 39 C SER A 5 8.885 18.348 -2.984 1.00 0.00 C ATOM 40 O SER A 5 9.590 18.429 -3.990 1.00 0.00 O ATOM 41 CB SER A 5 9.039 19.780 -0.939 1.00 0.00 C ATOM 42 OG SER A 5 8.689 20.743 -1.918 1.00 0.00 O ATOM 0 H SER A 5 11.338 18.574 -2.580 1.00 0.00 H new ATOM 0 HA SER A 5 9.145 17.634 -0.985 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.184 19.590 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.837 20.172 -0.308 1.00 0.00 H new ATOM 0 HG SER A 5 8.402 21.569 -1.476 1.00 0.00 H new ATOM 48 N SER A 6 7.571 18.151 -3.035 1.00 0.00 N ATOM 49 CA SER A 6 6.868 18.011 -4.305 1.00 0.00 C ATOM 50 C SER A 6 5.359 18.118 -4.105 1.00 0.00 C ATOM 51 O SER A 6 4.866 18.074 -2.978 1.00 0.00 O ATOM 52 CB SER A 6 7.214 16.672 -4.959 1.00 0.00 C ATOM 53 OG SER A 6 7.386 15.658 -3.985 1.00 0.00 O ATOM 0 H SER A 6 6.972 18.085 -2.212 1.00 0.00 H new ATOM 0 HA SER A 6 7.188 18.821 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.421 16.386 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.127 16.775 -5.546 1.00 0.00 H new ATOM 0 HG SER A 6 7.605 14.812 -4.429 1.00 0.00 H new ATOM 59 N GLY A 7 4.631 18.258 -5.208 1.00 0.00 N ATOM 60 CA GLY A 7 3.185 18.369 -5.133 1.00 0.00 C ATOM 61 C GLY A 7 2.545 18.526 -6.498 1.00 0.00 C ATOM 62 O GLY A 7 1.808 19.482 -6.741 1.00 0.00 O ATOM 0 H GLY A 7 5.016 18.297 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.780 17.482 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.921 19.224 -4.511 1.00 0.00 H new ATOM 66 N THR A 8 2.827 17.586 -7.394 1.00 0.00 N ATOM 67 CA THR A 8 2.276 17.625 -8.743 1.00 0.00 C ATOM 68 C THR A 8 1.860 16.233 -9.208 1.00 0.00 C ATOM 69 O THR A 8 2.675 15.311 -9.243 1.00 0.00 O ATOM 70 CB THR A 8 3.288 18.208 -9.747 1.00 0.00 C ATOM 71 OG1 THR A 8 3.743 19.488 -9.295 1.00 0.00 O ATOM 72 CG2 THR A 8 2.663 18.344 -11.127 1.00 0.00 C ATOM 0 H THR A 8 3.434 16.788 -7.210 1.00 0.00 H new ATOM 0 HA THR A 8 1.398 18.270 -8.707 1.00 0.00 H new ATOM 0 HB THR A 8 4.135 17.525 -9.815 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.387 19.852 -9.938 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.396 18.758 -11.819 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.344 17.363 -11.480 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.801 19.008 -11.072 1.00 0.00 H new ATOM 80 N SER A 9 0.588 16.089 -9.565 1.00 0.00 N ATOM 81 CA SER A 9 0.064 14.809 -10.025 1.00 0.00 C ATOM 82 C SER A 9 0.507 14.523 -11.457 1.00 0.00 C ATOM 83 O SER A 9 1.143 13.506 -11.730 1.00 0.00 O ATOM 84 CB SER A 9 -1.463 14.799 -9.940 1.00 0.00 C ATOM 85 OG SER A 9 -1.996 16.089 -10.184 1.00 0.00 O ATOM 0 H SER A 9 -0.099 16.843 -9.544 1.00 0.00 H new ATOM 0 HA SER A 9 0.462 14.028 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.866 14.092 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.773 14.455 -8.953 1.00 0.00 H new ATOM 0 HG SER A 9 -2.974 16.055 -10.126 1.00 0.00 H new ATOM 91 N ALA A 10 0.166 15.430 -12.367 1.00 0.00 N ATOM 92 CA ALA A 10 0.530 15.277 -13.770 1.00 0.00 C ATOM 93 C ALA A 10 -0.045 13.989 -14.350 1.00 0.00 C ATOM 94 O ALA A 10 0.575 12.928 -14.265 1.00 0.00 O ATOM 95 CB ALA A 10 2.043 15.301 -13.929 1.00 0.00 C ATOM 0 H ALA A 10 -0.361 16.278 -12.158 1.00 0.00 H new ATOM 0 HA ALA A 10 0.105 16.115 -14.323 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.300 15.186 -14.982 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.432 16.251 -13.562 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.482 14.484 -13.357 1.00 0.00 H new ATOM 101 N LEU A 11 -1.232 14.088 -14.938 1.00 0.00 N ATOM 102 CA LEU A 11 -1.891 12.930 -15.531 1.00 0.00 C ATOM 103 C LEU A 11 -1.098 12.404 -16.723 1.00 0.00 C ATOM 104 O LEU A 11 -0.816 13.141 -17.668 1.00 0.00 O ATOM 105 CB LEU A 11 -3.310 13.295 -15.969 1.00 0.00 C ATOM 106 CG LEU A 11 -3.437 14.510 -16.889 1.00 0.00 C ATOM 107 CD1 LEU A 11 -3.927 14.088 -18.266 1.00 0.00 C ATOM 108 CD2 LEU A 11 -4.374 15.543 -16.281 1.00 0.00 C ATOM 0 H LEU A 11 -1.758 14.958 -15.017 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.941 12.145 -14.776 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.745 12.434 -16.476 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.909 13.476 -15.077 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.452 14.963 -17.000 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.011 14.966 -18.907 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.219 13.385 -18.705 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.903 13.611 -18.174 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.453 16.401 -16.949 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.360 15.101 -16.140 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.981 15.868 -15.318 1.00 0.00 H new ATOM 120 N ALA A 12 -0.743 11.124 -16.673 1.00 0.00 N ATOM 121 CA ALA A 12 0.014 10.498 -17.750 1.00 0.00 C ATOM 122 C ALA A 12 0.207 9.008 -17.492 1.00 0.00 C ATOM 123 O ALA A 12 0.177 8.542 -16.353 1.00 0.00 O ATOM 124 CB ALA A 12 1.361 11.185 -17.918 1.00 0.00 C ATOM 0 H ALA A 12 -0.968 10.500 -15.898 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.556 10.609 -18.673 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.915 10.707 -18.726 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.206 12.237 -18.158 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.929 11.104 -16.991 1.00 0.00 H new ATOM 130 N PRO A 13 0.409 8.240 -18.573 1.00 0.00 N ATOM 131 CA PRO A 13 0.610 6.791 -18.488 1.00 0.00 C ATOM 132 C PRO A 13 1.951 6.427 -17.859 1.00 0.00 C ATOM 133 O PRO A 13 2.908 6.099 -18.560 1.00 0.00 O ATOM 134 CB PRO A 13 0.566 6.340 -19.951 1.00 0.00 C ATOM 135 CG PRO A 13 0.973 7.543 -20.730 1.00 0.00 C ATOM 136 CD PRO A 13 0.456 8.728 -19.962 1.00 0.00 C ATOM 0 HA PRO A 13 -0.139 6.312 -17.857 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.244 5.505 -20.129 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.432 6.005 -20.232 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.057 7.590 -20.837 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.554 7.517 -21.736 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.115 9.591 -20.063 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.529 9.036 -20.313 1.00 0.00 H new ATOM 144 N VAL A 14 2.012 6.488 -16.533 1.00 0.00 N ATOM 145 CA VAL A 14 3.236 6.164 -15.809 1.00 0.00 C ATOM 146 C VAL A 14 3.326 4.669 -15.524 1.00 0.00 C ATOM 147 O VAL A 14 2.315 4.011 -15.279 1.00 0.00 O ATOM 148 CB VAL A 14 3.322 6.935 -14.478 1.00 0.00 C ATOM 149 CG1 VAL A 14 4.649 6.663 -13.788 1.00 0.00 C ATOM 150 CG2 VAL A 14 3.129 8.426 -14.713 1.00 0.00 C ATOM 0 H VAL A 14 1.229 6.759 -15.938 1.00 0.00 H new ATOM 0 HA VAL A 14 4.069 6.461 -16.447 1.00 0.00 H new ATOM 0 HB VAL A 14 2.522 6.587 -13.824 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.691 7.216 -12.850 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.741 5.596 -13.585 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.467 6.981 -14.434 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.193 8.955 -13.762 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.905 8.792 -15.385 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.150 8.600 -15.160 1.00 0.00 H new ATOM 160 N ALA A 15 4.544 4.138 -15.557 1.00 0.00 N ATOM 161 CA ALA A 15 4.767 2.721 -15.300 1.00 0.00 C ATOM 162 C ALA A 15 6.020 2.506 -14.459 1.00 0.00 C ATOM 163 O ALA A 15 6.918 1.759 -14.845 1.00 0.00 O ATOM 164 CB ALA A 15 4.873 1.957 -16.612 1.00 0.00 C ATOM 0 H ALA A 15 5.391 4.668 -15.759 1.00 0.00 H new ATOM 0 HA ALA A 15 3.914 2.341 -14.738 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.040 0.900 -16.405 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.949 2.075 -17.177 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.707 2.348 -17.195 1.00 0.00 H new ATOM 170 N ALA A 16 6.074 3.167 -13.307 1.00 0.00 N ATOM 171 CA ALA A 16 7.217 3.048 -12.410 1.00 0.00 C ATOM 172 C ALA A 16 6.972 3.797 -11.105 1.00 0.00 C ATOM 173 O ALA A 16 6.261 4.802 -11.080 1.00 0.00 O ATOM 174 CB ALA A 16 8.477 3.564 -13.089 1.00 0.00 C ATOM 0 H ALA A 16 5.339 3.791 -12.973 1.00 0.00 H new ATOM 0 HA ALA A 16 7.352 1.993 -12.172 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.322 3.469 -12.408 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.670 2.981 -13.990 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.343 4.612 -13.357 1.00 0.00 H new ATOM 180 N ILE A 17 7.563 3.301 -10.023 1.00 0.00 N ATOM 181 CA ILE A 17 7.408 3.925 -8.715 1.00 0.00 C ATOM 182 C ILE A 17 8.182 5.237 -8.636 1.00 0.00 C ATOM 183 O ILE A 17 9.266 5.364 -9.205 1.00 0.00 O ATOM 184 CB ILE A 17 7.886 2.992 -7.586 1.00 0.00 C ATOM 185 CG1 ILE A 17 7.124 1.666 -7.635 1.00 0.00 C ATOM 186 CG2 ILE A 17 7.706 3.663 -6.233 1.00 0.00 C ATOM 187 CD1 ILE A 17 7.679 0.616 -6.698 1.00 0.00 C ATOM 0 H ILE A 17 8.153 2.469 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 17 6.344 4.125 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 17 8.947 2.786 -7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.078 1.848 -7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.147 1.280 -8.654 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.048 2.992 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.289 4.584 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.652 3.895 -6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.090 -0.297 -6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.716 0.406 -6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.631 0.982 -5.672 1.00 0.00 H new ATOM 199 N ILE A 18 7.618 6.208 -7.926 1.00 0.00 N ATOM 200 CA ILE A 18 8.256 7.509 -7.770 1.00 0.00 C ATOM 201 C ILE A 18 8.768 7.703 -6.347 1.00 0.00 C ATOM 202 O ILE A 18 8.066 7.449 -5.368 1.00 0.00 O ATOM 203 CB ILE A 18 7.289 8.656 -8.118 1.00 0.00 C ATOM 204 CG1 ILE A 18 6.744 8.481 -9.536 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.988 10.000 -7.975 1.00 0.00 C ATOM 206 CD1 ILE A 18 5.711 9.518 -9.919 1.00 0.00 C ATOM 0 H ILE A 18 6.721 6.118 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 18 9.098 7.533 -8.462 1.00 0.00 H new ATOM 0 HB ILE A 18 6.451 8.628 -7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.572 8.527 -10.243 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.302 7.489 -9.627 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.292 10.801 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.331 10.124 -6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.843 10.039 -8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.369 9.332 -10.937 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.864 9.458 -9.235 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.154 10.512 -9.861 1.00 0.00 H new ATOM 218 N PRO A 19 10.020 8.168 -6.227 1.00 0.00 N ATOM 219 CA PRO A 19 10.654 8.410 -4.927 1.00 0.00 C ATOM 220 C PRO A 19 10.038 9.597 -4.195 1.00 0.00 C ATOM 221 O PRO A 19 10.300 10.757 -4.514 1.00 0.00 O ATOM 222 CB PRO A 19 12.111 8.703 -5.292 1.00 0.00 C ATOM 223 CG PRO A 19 12.056 9.215 -6.689 1.00 0.00 C ATOM 224 CD PRO A 19 10.915 8.493 -7.351 1.00 0.00 C ATOM 0 HA PRO A 19 10.533 7.565 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.548 9.439 -4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.725 7.805 -5.223 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.896 10.293 -6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.994 9.025 -7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.419 9.120 -8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.253 7.595 -7.868 1.00 0.00 H new ATOM 232 N PRO A 20 9.202 9.304 -3.188 1.00 0.00 N ATOM 233 CA PRO A 20 8.533 10.335 -2.389 1.00 0.00 C ATOM 234 C PRO A 20 9.504 11.093 -1.490 1.00 0.00 C ATOM 235 O PRO A 20 10.653 10.692 -1.299 1.00 0.00 O ATOM 236 CB PRO A 20 7.535 9.537 -1.545 1.00 0.00 C ATOM 237 CG PRO A 20 8.123 8.171 -1.454 1.00 0.00 C ATOM 238 CD PRO A 20 8.844 7.943 -2.753 1.00 0.00 C ATOM 0 HA PRO A 20 8.070 11.098 -3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.409 9.980 -0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.551 9.514 -2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.808 8.097 -0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.347 7.421 -1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.727 7.319 -2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.208 7.442 -3.483 1.00 0.00 H new ATOM 246 N PRO A 21 9.035 12.214 -0.924 1.00 0.00 N ATOM 247 CA PRO A 21 9.847 13.051 -0.035 1.00 0.00 C ATOM 248 C PRO A 21 10.125 12.375 1.303 1.00 0.00 C ATOM 249 O PRO A 21 9.505 11.373 1.661 1.00 0.00 O ATOM 250 CB PRO A 21 8.982 14.298 0.166 1.00 0.00 C ATOM 251 CG PRO A 21 7.586 13.831 -0.064 1.00 0.00 C ATOM 252 CD PRO A 21 7.676 12.751 -1.107 1.00 0.00 C ATOM 0 HA PRO A 21 10.830 13.260 -0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.103 14.706 1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.256 15.087 -0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.146 13.448 0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.952 14.650 -0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.917 11.983 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.533 13.149 -2.112 1.00 0.00 H new ATOM 260 N PRO A 22 11.080 12.933 2.062 1.00 0.00 N ATOM 261 CA PRO A 22 11.461 12.401 3.374 1.00 0.00 C ATOM 262 C PRO A 22 10.372 12.605 4.421 1.00 0.00 C ATOM 263 O PRO A 22 10.425 12.024 5.506 1.00 0.00 O ATOM 264 CB PRO A 22 12.710 13.210 3.735 1.00 0.00 C ATOM 265 CG PRO A 22 12.569 14.484 2.976 1.00 0.00 C ATOM 266 CD PRO A 22 11.860 14.128 1.699 1.00 0.00 C ATOM 0 HA PRO A 22 11.628 11.324 3.345 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.767 13.393 4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.620 12.680 3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.000 15.218 3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.544 14.926 2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.217 14.939 1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.564 13.919 0.894 1.00 0.00 H new ATOM 274 N ASP A 23 9.387 13.431 4.090 1.00 0.00 N ATOM 275 CA ASP A 23 8.284 13.710 5.002 1.00 0.00 C ATOM 276 C ASP A 23 7.188 12.657 4.869 1.00 0.00 C ATOM 277 O ASP A 23 6.426 12.416 5.805 1.00 0.00 O ATOM 278 CB ASP A 23 7.707 15.100 4.730 1.00 0.00 C ATOM 279 CG ASP A 23 8.157 16.125 5.753 1.00 0.00 C ATOM 280 OD1 ASP A 23 7.467 16.276 6.782 1.00 0.00 O ATOM 281 OD2 ASP A 23 9.199 16.775 5.524 1.00 0.00 O ATOM 0 H ASP A 23 9.329 13.920 3.197 1.00 0.00 H new ATOM 0 HA ASP A 23 8.672 13.679 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.009 15.427 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.618 15.045 4.730 1.00 0.00 H new ATOM 286 N VAL A 24 7.115 12.032 3.698 1.00 0.00 N ATOM 287 CA VAL A 24 6.113 11.004 3.441 1.00 0.00 C ATOM 288 C VAL A 24 6.745 9.617 3.408 1.00 0.00 C ATOM 289 O VAL A 24 6.069 8.612 3.625 1.00 0.00 O ATOM 290 CB VAL A 24 5.381 11.254 2.110 1.00 0.00 C ATOM 291 CG1 VAL A 24 4.335 10.177 1.864 1.00 0.00 C ATOM 292 CG2 VAL A 24 4.745 12.636 2.103 1.00 0.00 C ATOM 0 H VAL A 24 7.738 12.220 2.912 1.00 0.00 H new ATOM 0 HA VAL A 24 5.393 11.053 4.258 1.00 0.00 H new ATOM 0 HB VAL A 24 6.111 11.210 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.828 10.371 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.820 9.202 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.606 10.186 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.232 12.796 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.028 12.711 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.519 13.393 2.229 1.00 0.00 H new ATOM 302 N GLN A 25 8.045 9.571 3.136 1.00 0.00 N ATOM 303 CA GLN A 25 8.768 8.306 3.075 1.00 0.00 C ATOM 304 C GLN A 25 8.526 7.480 4.334 1.00 0.00 C ATOM 305 O GLN A 25 8.074 6.336 4.278 1.00 0.00 O ATOM 306 CB GLN A 25 10.266 8.559 2.896 1.00 0.00 C ATOM 307 CG GLN A 25 10.809 8.073 1.561 1.00 0.00 C ATOM 308 CD GLN A 25 12.289 8.358 1.396 1.00 0.00 C ATOM 309 OE1 GLN A 25 13.090 7.444 1.198 1.00 0.00 O ATOM 310 NE2 GLN A 25 12.660 9.630 1.474 1.00 0.00 N ATOM 0 H GLN A 25 8.619 10.394 2.954 1.00 0.00 H new ATOM 0 HA GLN A 25 8.397 7.745 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.460 9.627 2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.809 8.064 3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.637 7.000 1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.258 8.553 0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.962 10.356 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.643 9.882 1.369 1.00 0.00 H new ATOM 319 N PRO A 26 8.835 8.070 5.498 1.00 0.00 N ATOM 320 CA PRO A 26 8.660 7.406 6.793 1.00 0.00 C ATOM 321 C PRO A 26 7.191 7.230 7.160 1.00 0.00 C ATOM 322 O PRO A 26 6.854 6.465 8.064 1.00 0.00 O ATOM 323 CB PRO A 26 9.346 8.358 7.775 1.00 0.00 C ATOM 324 CG PRO A 26 9.281 9.693 7.117 1.00 0.00 C ATOM 325 CD PRO A 26 9.379 9.431 5.639 1.00 0.00 C ATOM 0 HA PRO A 26 9.076 6.398 6.794 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.837 8.367 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.377 8.059 7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.350 10.204 7.362 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.095 10.335 7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.803 10.156 5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.409 9.491 5.288 1.00 0.00 H new ATOM 333 N VAL A 27 6.319 7.942 6.453 1.00 0.00 N ATOM 334 CA VAL A 27 4.885 7.863 6.703 1.00 0.00 C ATOM 335 C VAL A 27 4.270 6.659 5.999 1.00 0.00 C ATOM 336 O VAL A 27 3.235 6.142 6.421 1.00 0.00 O ATOM 337 CB VAL A 27 4.163 9.141 6.237 1.00 0.00 C ATOM 338 CG1 VAL A 27 2.665 9.024 6.475 1.00 0.00 C ATOM 339 CG2 VAL A 27 4.730 10.361 6.946 1.00 0.00 C ATOM 0 H VAL A 27 6.581 8.580 5.702 1.00 0.00 H new ATOM 0 HA VAL A 27 4.757 7.755 7.780 1.00 0.00 H new ATOM 0 HB VAL A 27 4.328 9.262 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.171 9.936 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.273 8.173 5.917 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.476 8.879 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.208 11.255 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.596 10.251 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.792 10.452 6.720 1.00 0.00 H new ATOM 349 N ILE A 28 4.913 6.217 4.923 1.00 0.00 N ATOM 350 CA ILE A 28 4.430 5.072 4.161 1.00 0.00 C ATOM 351 C ILE A 28 5.059 3.775 4.658 1.00 0.00 C ATOM 352 O ILE A 28 4.364 2.789 4.902 1.00 0.00 O ATOM 353 CB ILE A 28 4.727 5.231 2.658 1.00 0.00 C ATOM 354 CG1 ILE A 28 4.078 6.508 2.120 1.00 0.00 C ATOM 355 CG2 ILE A 28 4.233 4.015 1.890 1.00 0.00 C ATOM 356 CD1 ILE A 28 4.477 6.835 0.698 1.00 0.00 C ATOM 0 H ILE A 28 5.770 6.635 4.559 1.00 0.00 H new ATOM 0 HA ILE A 28 3.351 5.028 4.307 1.00 0.00 H new ATOM 0 HB ILE A 28 5.806 5.309 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.994 6.404 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.348 7.343 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.450 4.142 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.737 3.122 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.157 3.908 2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.980 7.752 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.557 6.971 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.182 6.017 0.040 1.00 0.00 H new ATOM 368 N ASP A 29 6.379 3.785 4.808 1.00 0.00 N ATOM 369 CA ASP A 29 7.103 2.610 5.280 1.00 0.00 C ATOM 370 C ASP A 29 6.611 2.185 6.660 1.00 0.00 C ATOM 371 O ASP A 29 6.612 1.001 6.994 1.00 0.00 O ATOM 372 CB ASP A 29 8.605 2.894 5.326 1.00 0.00 C ATOM 373 CG ASP A 29 9.410 1.689 5.770 1.00 0.00 C ATOM 374 OD1 ASP A 29 9.451 1.419 6.989 1.00 0.00 O ATOM 375 OD2 ASP A 29 9.997 1.014 4.898 1.00 0.00 O ATOM 0 H ASP A 29 6.969 4.593 4.610 1.00 0.00 H new ATOM 0 HA ASP A 29 6.916 1.795 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.942 3.209 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.794 3.724 6.007 1.00 0.00 H new ATOM 380 N LYS A 30 6.191 3.161 7.458 1.00 0.00 N ATOM 381 CA LYS A 30 5.696 2.890 8.802 1.00 0.00 C ATOM 382 C LYS A 30 4.401 2.085 8.753 1.00 0.00 C ATOM 383 O LYS A 30 4.087 1.338 9.681 1.00 0.00 O ATOM 384 CB LYS A 30 5.464 4.202 9.557 1.00 0.00 C ATOM 385 CG LYS A 30 4.959 4.006 10.976 1.00 0.00 C ATOM 386 CD LYS A 30 5.787 4.794 11.976 1.00 0.00 C ATOM 387 CE LYS A 30 5.369 4.492 13.407 1.00 0.00 C ATOM 388 NZ LYS A 30 5.370 5.716 14.255 1.00 0.00 N ATOM 0 H LYS A 30 6.184 4.147 7.197 1.00 0.00 H new ATOM 0 HA LYS A 30 6.449 2.303 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.397 4.764 9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.745 4.807 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.917 4.319 11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.990 2.947 11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.842 4.554 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.677 5.861 11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.373 4.050 13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.046 3.753 13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.080 5.468 15.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.326 6.124 14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.705 6.412 13.861 1.00 0.00 H new ATOM 402 N LEU A 31 3.654 2.240 7.666 1.00 0.00 N ATOM 403 CA LEU A 31 2.394 1.525 7.495 1.00 0.00 C ATOM 404 C LEU A 31 2.620 0.177 6.818 1.00 0.00 C ATOM 405 O LEU A 31 1.977 -0.816 7.160 1.00 0.00 O ATOM 406 CB LEU A 31 1.417 2.365 6.670 1.00 0.00 C ATOM 407 CG LEU A 31 0.023 1.768 6.470 1.00 0.00 C ATOM 408 CD1 LEU A 31 -0.777 1.835 7.761 1.00 0.00 C ATOM 409 CD2 LEU A 31 -0.709 2.490 5.348 1.00 0.00 C ATOM 0 H LEU A 31 3.899 2.854 6.890 1.00 0.00 H new ATOM 0 HA LEU A 31 1.968 1.348 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.309 3.337 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.859 2.542 5.689 1.00 0.00 H new ATOM 0 HG LEU A 31 0.134 0.720 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.766 1.406 7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.260 1.273 8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.879 2.875 8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.699 2.053 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.809 3.546 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.144 2.389 4.421 1.00 0.00 H new ATOM 421 N ALA A 32 3.539 0.149 5.859 1.00 0.00 N ATOM 422 CA ALA A 32 3.853 -1.078 5.137 1.00 0.00 C ATOM 423 C ALA A 32 4.253 -2.193 6.098 1.00 0.00 C ATOM 424 O ALA A 32 3.749 -3.312 6.007 1.00 0.00 O ATOM 425 CB ALA A 32 4.962 -0.827 4.126 1.00 0.00 C ATOM 0 H ALA A 32 4.079 0.962 5.564 1.00 0.00 H new ATOM 0 HA ALA A 32 2.957 -1.396 4.605 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.186 -1.752 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.640 -0.068 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.856 -0.481 4.645 1.00 0.00 H new ATOM 431 N GLU A 33 5.161 -1.879 7.017 1.00 0.00 N ATOM 432 CA GLU A 33 5.628 -2.856 7.993 1.00 0.00 C ATOM 433 C GLU A 33 4.489 -3.299 8.908 1.00 0.00 C ATOM 434 O GLU A 33 4.479 -4.426 9.404 1.00 0.00 O ATOM 435 CB GLU A 33 6.769 -2.271 8.828 1.00 0.00 C ATOM 436 CG GLU A 33 7.702 -3.322 9.406 1.00 0.00 C ATOM 437 CD GLU A 33 7.417 -3.614 10.866 1.00 0.00 C ATOM 438 OE1 GLU A 33 7.291 -2.649 11.650 1.00 0.00 O ATOM 439 OE2 GLU A 33 7.322 -4.806 11.226 1.00 0.00 O ATOM 0 H GLU A 33 5.587 -0.957 7.106 1.00 0.00 H new ATOM 0 HA GLU A 33 5.994 -3.727 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.347 -1.586 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.347 -1.684 9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.608 -4.243 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.733 -2.984 9.301 1.00 0.00 H new ATOM 446 N TYR A 34 3.533 -2.403 9.128 1.00 0.00 N ATOM 447 CA TYR A 34 2.392 -2.699 9.986 1.00 0.00 C ATOM 448 C TYR A 34 1.396 -3.608 9.272 1.00 0.00 C ATOM 449 O TYR A 34 0.891 -4.570 9.851 1.00 0.00 O ATOM 450 CB TYR A 34 1.700 -1.403 10.414 1.00 0.00 C ATOM 451 CG TYR A 34 1.253 -1.405 11.859 1.00 0.00 C ATOM 452 CD1 TYR A 34 2.162 -1.192 12.888 1.00 0.00 C ATOM 453 CD2 TYR A 34 -0.078 -1.621 12.194 1.00 0.00 C ATOM 454 CE1 TYR A 34 1.758 -1.193 14.209 1.00 0.00 C ATOM 455 CE2 TYR A 34 -0.491 -1.623 13.513 1.00 0.00 C ATOM 456 CZ TYR A 34 0.431 -1.409 14.516 1.00 0.00 C ATOM 457 OH TYR A 34 0.024 -1.411 15.831 1.00 0.00 O ATOM 0 H TYR A 34 3.526 -1.466 8.724 1.00 0.00 H new ATOM 0 HA TYR A 34 2.760 -3.217 10.872 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.381 -0.567 10.254 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.834 -1.235 9.774 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.202 -1.023 12.651 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.802 -1.790 11.411 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.477 -1.026 14.997 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.530 -1.791 13.757 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.941 -1.576 15.875 1.00 0.00 H new ATOM 467 N VAL A 35 1.118 -3.296 8.010 1.00 0.00 N ATOM 468 CA VAL A 35 0.184 -4.085 7.215 1.00 0.00 C ATOM 469 C VAL A 35 0.742 -5.475 6.932 1.00 0.00 C ATOM 470 O VAL A 35 -0.009 -6.442 6.804 1.00 0.00 O ATOM 471 CB VAL A 35 -0.140 -3.391 5.879 1.00 0.00 C ATOM 472 CG1 VAL A 35 -1.105 -4.235 5.060 1.00 0.00 C ATOM 473 CG2 VAL A 35 -0.709 -2.002 6.124 1.00 0.00 C ATOM 0 H VAL A 35 1.526 -2.502 7.516 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.732 -4.177 7.799 1.00 0.00 H new ATOM 0 HB VAL A 35 0.784 -3.284 5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.323 -3.729 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.655 -5.206 4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.030 -4.375 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.932 -1.527 5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.623 -2.082 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.020 -1.401 6.667 1.00 0.00 H new ATOM 483 N ALA A 36 2.064 -5.568 6.836 1.00 0.00 N ATOM 484 CA ALA A 36 2.723 -6.841 6.570 1.00 0.00 C ATOM 485 C ALA A 36 2.702 -7.738 7.803 1.00 0.00 C ATOM 486 O ALA A 36 2.669 -8.963 7.690 1.00 0.00 O ATOM 487 CB ALA A 36 4.154 -6.608 6.109 1.00 0.00 C ATOM 0 H ALA A 36 2.700 -4.777 6.938 1.00 0.00 H new ATOM 0 HA ALA A 36 2.175 -7.347 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.634 -7.567 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.150 -6.012 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.705 -6.078 6.886 1.00 0.00 H new ATOM 493 N ARG A 37 2.722 -7.120 8.979 1.00 0.00 N ATOM 494 CA ARG A 37 2.707 -7.863 10.233 1.00 0.00 C ATOM 495 C ARG A 37 1.276 -8.176 10.663 1.00 0.00 C ATOM 496 O ARG A 37 0.921 -9.334 10.877 1.00 0.00 O ATOM 497 CB ARG A 37 3.418 -7.069 11.330 1.00 0.00 C ATOM 498 CG ARG A 37 4.888 -7.425 11.483 1.00 0.00 C ATOM 499 CD ARG A 37 5.108 -8.407 12.623 1.00 0.00 C ATOM 500 NE ARG A 37 5.891 -7.821 13.707 1.00 0.00 N ATOM 501 CZ ARG A 37 7.193 -7.570 13.621 1.00 0.00 C ATOM 502 NH1 ARG A 37 7.854 -7.853 12.507 1.00 0.00 N ATOM 503 NH2 ARG A 37 7.836 -7.035 14.651 1.00 0.00 N ATOM 0 H ARG A 37 2.749 -6.106 9.090 1.00 0.00 H new ATOM 0 HA ARG A 37 3.235 -8.804 10.075 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.331 -6.005 11.111 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.910 -7.241 12.279 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.258 -7.857 10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.466 -6.519 11.665 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.143 -8.736 13.009 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.619 -9.293 12.245 1.00 0.00 H new ATOM 0 HE ARG A 37 5.412 -7.592 14.578 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.363 -8.264 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.853 -7.659 12.444 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.331 -6.816 15.510 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.835 -6.843 14.584 1.00 0.00 H new ATOM 517 N ASN A 38 0.460 -7.134 10.787 1.00 0.00 N ATOM 518 CA ASN A 38 -0.931 -7.297 11.192 1.00 0.00 C ATOM 519 C ASN A 38 -1.720 -8.063 10.134 1.00 0.00 C ATOM 520 O ASN A 38 -2.462 -8.992 10.449 1.00 0.00 O ATOM 521 CB ASN A 38 -1.577 -5.931 11.436 1.00 0.00 C ATOM 522 CG ASN A 38 -1.245 -5.371 12.806 1.00 0.00 C ATOM 523 OD1 ASN A 38 -1.963 -5.609 13.776 1.00 0.00 O ATOM 524 ND2 ASN A 38 -0.151 -4.623 12.890 1.00 0.00 N ATOM 0 H ASN A 38 0.738 -6.168 10.613 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.948 -7.870 12.119 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.242 -5.232 10.670 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.659 -6.020 11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.123 -4.220 13.786 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.415 -4.452 12.059 1.00 0.00 H new ATOM 531 N GLY A 39 -1.552 -7.666 8.876 1.00 0.00 N ATOM 532 CA GLY A 39 -2.254 -8.325 7.791 1.00 0.00 C ATOM 533 C GLY A 39 -2.872 -7.341 6.817 1.00 0.00 C ATOM 534 O GLY A 39 -2.983 -6.151 7.112 1.00 0.00 O ATOM 0 H GLY A 39 -0.942 -6.900 8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.561 -8.975 7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.036 -8.963 8.203 1.00 0.00 H new ATOM 538 N LEU A 40 -3.274 -7.838 5.652 1.00 0.00 N ATOM 539 CA LEU A 40 -3.883 -6.993 4.630 1.00 0.00 C ATOM 540 C LEU A 40 -5.161 -6.344 5.151 1.00 0.00 C ATOM 541 O LEU A 40 -5.559 -5.274 4.690 1.00 0.00 O ATOM 542 CB LEU A 40 -4.188 -7.815 3.377 1.00 0.00 C ATOM 543 CG LEU A 40 -3.409 -7.433 2.117 1.00 0.00 C ATOM 544 CD1 LEU A 40 -3.035 -8.675 1.324 1.00 0.00 C ATOM 545 CD2 LEU A 40 -4.221 -6.474 1.259 1.00 0.00 C ATOM 0 H LEU A 40 -3.189 -8.821 5.392 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.175 -6.204 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.990 -8.864 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.253 -7.730 3.161 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.490 -6.930 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.482 -8.384 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.414 -9.326 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.941 -9.207 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.652 -6.213 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.156 -6.951 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.438 -5.570 1.829 1.00 0.00 H new ATOM 557 N LYS A 41 -5.800 -6.998 6.115 1.00 0.00 N ATOM 558 CA LYS A 41 -7.032 -6.485 6.701 1.00 0.00 C ATOM 559 C LYS A 41 -6.847 -5.051 7.188 1.00 0.00 C ATOM 560 O LYS A 41 -7.769 -4.237 7.118 1.00 0.00 O ATOM 561 CB LYS A 41 -7.478 -7.375 7.864 1.00 0.00 C ATOM 562 CG LYS A 41 -8.951 -7.743 7.819 1.00 0.00 C ATOM 563 CD LYS A 41 -9.188 -8.997 6.995 1.00 0.00 C ATOM 564 CE LYS A 41 -10.502 -8.923 6.233 1.00 0.00 C ATOM 565 NZ LYS A 41 -11.045 -10.276 5.931 1.00 0.00 N ATOM 0 H LYS A 41 -5.484 -7.885 6.507 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.802 -6.492 5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.884 -8.289 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.269 -6.863 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.319 -7.898 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.521 -6.916 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.366 -9.133 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.195 -9.868 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.230 -8.362 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.352 -8.376 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.941 -10.182 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.361 -10.803 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.213 -10.789 6.820 1.00 0.00 H new ATOM 579 N PHE A 42 -5.650 -4.747 7.679 1.00 0.00 N ATOM 580 CA PHE A 42 -5.344 -3.411 8.176 1.00 0.00 C ATOM 581 C PHE A 42 -5.474 -2.374 7.064 1.00 0.00 C ATOM 582 O PHE A 42 -6.010 -1.287 7.276 1.00 0.00 O ATOM 583 CB PHE A 42 -3.931 -3.373 8.761 1.00 0.00 C ATOM 584 CG PHE A 42 -3.729 -2.277 9.768 1.00 0.00 C ATOM 585 CD1 PHE A 42 -3.432 -0.987 9.358 1.00 0.00 C ATOM 586 CD2 PHE A 42 -3.835 -2.537 11.125 1.00 0.00 C ATOM 587 CE1 PHE A 42 -3.246 0.023 10.282 1.00 0.00 C ATOM 588 CE2 PHE A 42 -3.650 -1.530 12.054 1.00 0.00 C ATOM 589 CZ PHE A 42 -3.354 -0.249 11.632 1.00 0.00 C ATOM 0 H PHE A 42 -4.876 -5.408 7.743 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.061 -3.169 8.960 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.715 -4.332 9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.214 -3.247 7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.345 -0.769 8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.065 -3.537 11.461 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.016 1.024 9.949 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.737 -1.745 13.109 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.207 0.539 12.356 1.00 0.00 H new ATOM 599 N GLU A 43 -4.980 -2.720 5.879 1.00 0.00 N ATOM 600 CA GLU A 43 -5.040 -1.819 4.735 1.00 0.00 C ATOM 601 C GLU A 43 -6.472 -1.358 4.479 1.00 0.00 C ATOM 602 O GLU A 43 -6.703 -0.264 3.963 1.00 0.00 O ATOM 603 CB GLU A 43 -4.484 -2.507 3.486 1.00 0.00 C ATOM 604 CG GLU A 43 -4.348 -1.579 2.290 1.00 0.00 C ATOM 605 CD GLU A 43 -4.710 -2.256 0.983 1.00 0.00 C ATOM 606 OE1 GLU A 43 -5.905 -2.560 0.782 1.00 0.00 O ATOM 607 OE2 GLU A 43 -3.798 -2.483 0.160 1.00 0.00 O ATOM 0 H GLU A 43 -4.534 -3.617 5.687 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.430 -0.945 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.507 -2.931 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.137 -3.338 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.989 -0.710 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.323 -1.213 2.234 1.00 0.00 H new ATOM 614 N THR A 44 -7.433 -2.202 4.843 1.00 0.00 N ATOM 615 CA THR A 44 -8.843 -1.884 4.652 1.00 0.00 C ATOM 616 C THR A 44 -9.318 -0.859 5.676 1.00 0.00 C ATOM 617 O THR A 44 -10.075 0.054 5.348 1.00 0.00 O ATOM 618 CB THR A 44 -9.722 -3.144 4.757 1.00 0.00 C ATOM 619 OG1 THR A 44 -9.341 -4.093 3.755 1.00 0.00 O ATOM 620 CG2 THR A 44 -11.193 -2.792 4.597 1.00 0.00 C ATOM 0 H THR A 44 -7.260 -3.111 5.272 1.00 0.00 H new ATOM 0 HA THR A 44 -8.940 -1.465 3.650 1.00 0.00 H new ATOM 0 HB THR A 44 -9.575 -3.581 5.744 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.904 -4.892 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.794 -3.698 4.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.487 -2.093 5.380 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.353 -2.333 3.622 1.00 0.00 H new ATOM 628 N SER A 45 -8.869 -1.017 6.917 1.00 0.00 N ATOM 629 CA SER A 45 -9.252 -0.107 7.990 1.00 0.00 C ATOM 630 C SER A 45 -8.680 1.287 7.749 1.00 0.00 C ATOM 631 O SER A 45 -9.384 2.290 7.875 1.00 0.00 O ATOM 632 CB SER A 45 -8.769 -0.643 9.339 1.00 0.00 C ATOM 633 OG SER A 45 -9.823 -0.665 10.286 1.00 0.00 O ATOM 0 H SER A 45 -8.240 -1.767 7.204 1.00 0.00 H new ATOM 0 HA SER A 45 -10.340 -0.037 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.369 -1.649 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.955 -0.021 9.711 1.00 0.00 H new ATOM 0 HG SER A 45 -9.489 -1.013 11.139 1.00 0.00 H new ATOM 639 N VAL A 46 -7.398 1.343 7.403 1.00 0.00 N ATOM 640 CA VAL A 46 -6.730 2.612 7.143 1.00 0.00 C ATOM 641 C VAL A 46 -7.393 3.356 5.989 1.00 0.00 C ATOM 642 O VAL A 46 -7.401 4.586 5.953 1.00 0.00 O ATOM 643 CB VAL A 46 -5.239 2.406 6.817 1.00 0.00 C ATOM 644 CG1 VAL A 46 -5.077 1.507 5.601 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.552 3.745 6.596 1.00 0.00 C ATOM 0 H VAL A 46 -6.801 0.523 7.296 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.816 3.207 8.052 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.764 1.916 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.017 1.373 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.532 0.537 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.566 1.966 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.499 3.580 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.027 4.265 5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.636 4.351 7.498 1.00 0.00 H new ATOM 655 N ARG A 47 -7.949 2.601 5.047 1.00 0.00 N ATOM 656 CA ARG A 47 -8.614 3.189 3.891 1.00 0.00 C ATOM 657 C ARG A 47 -9.978 3.754 4.277 1.00 0.00 C ATOM 658 O ARG A 47 -10.360 4.836 3.834 1.00 0.00 O ATOM 659 CB ARG A 47 -8.777 2.144 2.784 1.00 0.00 C ATOM 660 CG ARG A 47 -8.514 2.689 1.390 1.00 0.00 C ATOM 661 CD ARG A 47 -8.526 1.580 0.348 1.00 0.00 C ATOM 662 NE ARG A 47 -8.835 2.087 -0.986 1.00 0.00 N ATOM 663 CZ ARG A 47 -9.201 1.311 -2.000 1.00 0.00 C ATOM 664 NH1 ARG A 47 -9.304 -0.001 -1.832 1.00 0.00 N ATOM 665 NH2 ARG A 47 -9.466 1.846 -3.185 1.00 0.00 N ATOM 0 H ARG A 47 -7.952 1.581 5.062 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.993 4.006 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.096 1.315 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.789 1.741 2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.270 3.433 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.549 3.196 1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.554 1.087 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.262 0.826 0.629 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.766 3.092 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.102 -0.416 -0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.585 -0.595 -2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.389 2.854 -3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.747 1.249 -3.963 1.00 0.00 H new ATOM 679 N ALA A 48 -10.707 3.012 5.104 1.00 0.00 N ATOM 680 CA ALA A 48 -12.027 3.440 5.551 1.00 0.00 C ATOM 681 C ALA A 48 -11.972 4.832 6.170 1.00 0.00 C ATOM 682 O ALA A 48 -12.957 5.571 6.149 1.00 0.00 O ATOM 683 CB ALA A 48 -12.597 2.440 6.546 1.00 0.00 C ATOM 0 H ALA A 48 -10.406 2.112 5.478 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.682 3.484 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.583 2.772 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.682 1.462 6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.935 2.368 7.409 1.00 0.00 H new ATOM 689 N LYS A 49 -10.816 5.185 6.722 1.00 0.00 N ATOM 690 CA LYS A 49 -10.632 6.489 7.347 1.00 0.00 C ATOM 691 C LYS A 49 -10.649 7.600 6.302 1.00 0.00 C ATOM 692 O LYS A 49 -11.262 8.647 6.506 1.00 0.00 O ATOM 693 CB LYS A 49 -9.314 6.524 8.123 1.00 0.00 C ATOM 694 CG LYS A 49 -9.160 5.382 9.113 1.00 0.00 C ATOM 695 CD LYS A 49 -8.286 5.779 10.290 1.00 0.00 C ATOM 696 CE LYS A 49 -6.819 5.480 10.021 1.00 0.00 C ATOM 697 NZ LYS A 49 -6.406 4.168 10.591 1.00 0.00 N ATOM 0 H LYS A 49 -9.992 4.585 6.749 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.458 6.652 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.485 6.495 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.243 7.470 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.142 5.078 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.724 4.519 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.410 6.842 10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.610 5.243 11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.639 5.481 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.203 6.271 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.414 3.978 10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.505 4.192 11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.010 3.415 10.203 1.00 0.00 H new ATOM 711 N ASN A 50 -9.972 7.364 5.183 1.00 0.00 N ATOM 712 CA ASN A 50 -9.911 8.345 4.105 1.00 0.00 C ATOM 713 C ASN A 50 -9.367 9.677 4.613 1.00 0.00 C ATOM 714 O ASN A 50 -9.715 10.739 4.097 1.00 0.00 O ATOM 715 CB ASN A 50 -11.298 8.549 3.493 1.00 0.00 C ATOM 716 CG ASN A 50 -11.852 7.276 2.881 1.00 0.00 C ATOM 717 OD1 ASN A 50 -12.649 6.572 3.501 1.00 0.00 O ATOM 718 ND2 ASN A 50 -11.431 6.976 1.658 1.00 0.00 N ATOM 0 H ASN A 50 -9.458 6.502 4.999 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.236 7.964 3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.982 8.907 4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.244 9.324 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.769 6.132 1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.769 7.589 1.182 1.00 0.00 H new ATOM 725 N ASP A 51 -8.511 9.612 5.627 1.00 0.00 N ATOM 726 CA ASP A 51 -7.917 10.812 6.204 1.00 0.00 C ATOM 727 C ASP A 51 -6.885 11.417 5.257 1.00 0.00 C ATOM 728 O ASP A 51 -6.247 10.704 4.482 1.00 0.00 O ATOM 729 CB ASP A 51 -7.264 10.488 7.549 1.00 0.00 C ATOM 730 CG ASP A 51 -7.606 11.507 8.618 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.760 11.985 8.637 1.00 0.00 O ATOM 732 OD2 ASP A 51 -6.719 11.826 9.438 1.00 0.00 O ATOM 0 H ASP A 51 -8.213 8.741 6.066 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.712 11.541 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.585 9.500 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.182 10.446 7.424 1.00 0.00 H new ATOM 737 N GLN A 52 -6.728 12.735 5.324 1.00 0.00 N ATOM 738 CA GLN A 52 -5.775 13.435 4.471 1.00 0.00 C ATOM 739 C GLN A 52 -4.367 12.882 4.659 1.00 0.00 C ATOM 740 O GLN A 52 -3.576 12.838 3.717 1.00 0.00 O ATOM 741 CB GLN A 52 -5.791 14.934 4.776 1.00 0.00 C ATOM 742 CG GLN A 52 -5.308 15.795 3.620 1.00 0.00 C ATOM 743 CD GLN A 52 -5.113 17.246 4.014 1.00 0.00 C ATOM 744 OE1 GLN A 52 -6.075 17.955 4.312 1.00 0.00 O ATOM 745 NE2 GLN A 52 -3.864 17.696 4.019 1.00 0.00 N ATOM 0 H GLN A 52 -7.248 13.339 5.960 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.072 13.278 3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.806 15.232 5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.165 15.126 5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.367 15.395 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.028 15.738 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.097 17.074 3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.672 18.664 4.277 1.00 0.00 H new ATOM 754 N ARG A 53 -4.060 12.460 5.882 1.00 0.00 N ATOM 755 CA ARG A 53 -2.747 11.910 6.193 1.00 0.00 C ATOM 756 C ARG A 53 -2.544 10.563 5.506 1.00 0.00 C ATOM 757 O ARG A 53 -1.415 10.162 5.224 1.00 0.00 O ATOM 758 CB ARG A 53 -2.582 11.753 7.706 1.00 0.00 C ATOM 759 CG ARG A 53 -2.714 13.060 8.472 1.00 0.00 C ATOM 760 CD ARG A 53 -2.337 12.888 9.935 1.00 0.00 C ATOM 761 NE ARG A 53 -2.055 14.167 10.581 1.00 0.00 N ATOM 762 CZ ARG A 53 -1.692 14.284 11.854 1.00 0.00 C ATOM 763 NH1 ARG A 53 -1.567 13.204 12.612 1.00 0.00 N ATOM 764 NH2 ARG A 53 -1.453 15.483 12.369 1.00 0.00 N ATOM 0 H ARG A 53 -4.703 12.489 6.673 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.993 12.604 5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.329 11.049 8.073 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.605 11.317 7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.074 13.816 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.739 13.424 8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.149 12.387 10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.462 12.243 10.010 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.141 15.017 10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.750 12.281 12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.288 13.296 13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.548 16.316 11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.174 15.572 13.346 1.00 0.00 H new ATOM 778 N PHE A 54 -3.646 9.868 5.241 1.00 0.00 N ATOM 779 CA PHE A 54 -3.589 8.565 4.589 1.00 0.00 C ATOM 780 C PHE A 54 -4.190 8.632 3.188 1.00 0.00 C ATOM 781 O PHE A 54 -4.996 7.785 2.806 1.00 0.00 O ATOM 782 CB PHE A 54 -4.331 7.520 5.425 1.00 0.00 C ATOM 783 CG PHE A 54 -3.646 7.192 6.720 1.00 0.00 C ATOM 784 CD1 PHE A 54 -2.567 6.324 6.748 1.00 0.00 C ATOM 785 CD2 PHE A 54 -4.082 7.752 7.911 1.00 0.00 C ATOM 786 CE1 PHE A 54 -1.934 6.020 7.939 1.00 0.00 C ATOM 787 CE2 PHE A 54 -3.452 7.452 9.104 1.00 0.00 C ATOM 788 CZ PHE A 54 -2.378 6.584 9.118 1.00 0.00 C ATOM 0 H PHE A 54 -4.588 10.185 5.468 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.542 8.275 4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.337 7.883 5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.439 6.607 4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.216 5.879 5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.923 8.430 7.906 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.093 5.342 7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.800 7.896 10.025 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.886 6.347 10.050 1.00 0.00 H new ATOM 798 N GLU A 55 -3.790 9.646 2.427 1.00 0.00 N ATOM 799 CA GLU A 55 -4.289 9.825 1.069 1.00 0.00 C ATOM 800 C GLU A 55 -3.429 9.059 0.067 1.00 0.00 C ATOM 801 O GLU A 55 -3.912 8.622 -0.977 1.00 0.00 O ATOM 802 CB GLU A 55 -4.318 11.310 0.703 1.00 0.00 C ATOM 803 CG GLU A 55 -2.959 11.985 0.793 1.00 0.00 C ATOM 804 CD GLU A 55 -3.003 13.441 0.373 1.00 0.00 C ATOM 805 OE1 GLU A 55 -4.061 14.079 0.554 1.00 0.00 O ATOM 806 OE2 GLU A 55 -1.979 13.943 -0.137 1.00 0.00 O ATOM 0 H GLU A 55 -3.122 10.356 2.728 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.304 9.429 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.702 11.418 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.015 11.825 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.591 11.917 1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.249 11.450 0.162 1.00 0.00 H new ATOM 813 N PHE A 56 -2.150 8.902 0.394 1.00 0.00 N ATOM 814 CA PHE A 56 -1.221 8.191 -0.476 1.00 0.00 C ATOM 815 C PHE A 56 -1.727 6.784 -0.779 1.00 0.00 C ATOM 816 O PHE A 56 -1.393 6.200 -1.811 1.00 0.00 O ATOM 817 CB PHE A 56 0.164 8.119 0.171 1.00 0.00 C ATOM 818 CG PHE A 56 0.181 7.362 1.468 1.00 0.00 C ATOM 819 CD1 PHE A 56 -0.133 7.996 2.660 1.00 0.00 C ATOM 820 CD2 PHE A 56 0.510 6.017 1.496 1.00 0.00 C ATOM 821 CE1 PHE A 56 -0.119 7.303 3.855 1.00 0.00 C ATOM 822 CE2 PHE A 56 0.526 5.318 2.689 1.00 0.00 C ATOM 823 CZ PHE A 56 0.212 5.962 3.869 1.00 0.00 C ATOM 0 H PHE A 56 -1.734 9.258 1.255 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.148 8.741 -1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.857 7.647 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.528 9.132 0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.392 9.045 2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.757 5.508 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.366 7.809 4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.784 4.269 2.698 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.225 5.418 4.802 1.00 0.00 H new ATOM 833 N LEU A 57 -2.534 6.244 0.128 1.00 0.00 N ATOM 834 CA LEU A 57 -3.086 4.905 -0.040 1.00 0.00 C ATOM 835 C LEU A 57 -4.131 4.882 -1.151 1.00 0.00 C ATOM 836 O LEU A 57 -4.366 3.846 -1.773 1.00 0.00 O ATOM 837 CB LEU A 57 -3.709 4.421 1.271 1.00 0.00 C ATOM 838 CG LEU A 57 -2.750 3.778 2.273 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.212 4.040 3.698 1.00 0.00 C ATOM 840 CD2 LEU A 57 -2.631 2.283 2.016 1.00 0.00 C ATOM 0 H LEU A 57 -2.820 6.713 0.987 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.272 4.235 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.193 5.269 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.492 3.700 1.034 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.766 4.228 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.517 3.575 4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.243 5.114 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.207 3.619 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.944 1.843 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.611 1.817 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.252 2.116 1.008 1.00 0.00 H new ATOM 852 N GLN A 58 -4.752 6.031 -1.396 1.00 0.00 N ATOM 853 CA GLN A 58 -5.770 6.143 -2.434 1.00 0.00 C ATOM 854 C GLN A 58 -5.236 5.649 -3.775 1.00 0.00 C ATOM 855 O GLN A 58 -4.033 5.665 -4.036 1.00 0.00 O ATOM 856 CB GLN A 58 -6.242 7.592 -2.562 1.00 0.00 C ATOM 857 CG GLN A 58 -6.991 8.098 -1.339 1.00 0.00 C ATOM 858 CD GLN A 58 -8.299 7.366 -1.113 1.00 0.00 C ATOM 859 OE1 GLN A 58 -9.343 7.763 -1.631 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.250 6.291 -0.335 1.00 0.00 N ATOM 0 H GLN A 58 -4.568 6.897 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.616 5.518 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.378 8.233 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.888 7.679 -3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.359 7.986 -0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.190 9.163 -1.454 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.363 5.997 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.099 5.759 -0.146 1.00 0.00 H new ATOM 869 N PRO A 59 -6.151 5.200 -4.647 1.00 0.00 N ATOM 870 CA PRO A 59 -5.795 4.693 -5.976 1.00 0.00 C ATOM 871 C PRO A 59 -5.309 5.799 -6.907 1.00 0.00 C ATOM 872 O PRO A 59 -4.274 5.662 -7.560 1.00 0.00 O ATOM 873 CB PRO A 59 -7.108 4.100 -6.492 1.00 0.00 C ATOM 874 CG PRO A 59 -8.173 4.840 -5.759 1.00 0.00 C ATOM 875 CD PRO A 59 -7.602 5.151 -4.403 1.00 0.00 C ATOM 0 HA PRO A 59 -4.975 3.976 -5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.205 4.231 -7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.163 3.029 -6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.447 5.754 -6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.078 4.238 -5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.977 6.099 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.861 4.385 -3.672 1.00 0.00 H new ATOM 883 N TRP A 60 -6.060 6.892 -6.962 1.00 0.00 N ATOM 884 CA TRP A 60 -5.704 8.022 -7.813 1.00 0.00 C ATOM 885 C TRP A 60 -4.322 8.558 -7.456 1.00 0.00 C ATOM 886 O TRP A 60 -3.620 9.107 -8.306 1.00 0.00 O ATOM 887 CB TRP A 60 -6.745 9.134 -7.681 1.00 0.00 C ATOM 888 CG TRP A 60 -6.868 9.671 -6.287 1.00 0.00 C ATOM 889 CD1 TRP A 60 -7.738 9.252 -5.321 1.00 0.00 C ATOM 890 CD2 TRP A 60 -6.097 10.728 -5.705 1.00 0.00 C ATOM 891 NE1 TRP A 60 -7.553 9.985 -4.173 1.00 0.00 N ATOM 892 CE2 TRP A 60 -6.552 10.896 -4.383 1.00 0.00 C ATOM 893 CE3 TRP A 60 -5.065 11.547 -6.171 1.00 0.00 C ATOM 894 CZ2 TRP A 60 -6.011 11.850 -3.525 1.00 0.00 C ATOM 895 CZ3 TRP A 60 -4.529 12.493 -5.318 1.00 0.00 C ATOM 896 CH2 TRP A 60 -5.001 12.638 -4.007 1.00 0.00 C ATOM 0 H TRP A 60 -6.919 7.021 -6.428 1.00 0.00 H new ATOM 0 HA TRP A 60 -5.683 7.674 -8.846 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.482 9.949 -8.355 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -7.715 8.754 -8.003 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.464 8.462 -5.441 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -8.076 9.869 -3.305 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -4.693 11.443 -7.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.376 11.964 -2.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.732 13.132 -5.668 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.560 13.386 -3.365 1.00 0.00 H new ATOM 907 N HIS A 61 -3.936 8.395 -6.195 1.00 0.00 N ATOM 908 CA HIS A 61 -2.636 8.862 -5.726 1.00 0.00 C ATOM 909 C HIS A 61 -1.506 8.087 -6.398 1.00 0.00 C ATOM 910 O HIS A 61 -1.646 6.901 -6.694 1.00 0.00 O ATOM 911 CB HIS A 61 -2.536 8.719 -4.208 1.00 0.00 C ATOM 912 CG HIS A 61 -2.046 9.956 -3.520 1.00 0.00 C ATOM 913 ND1 HIS A 61 -0.788 10.483 -3.725 1.00 0.00 N ATOM 914 CD2 HIS A 61 -2.654 10.773 -2.628 1.00 0.00 C ATOM 915 CE1 HIS A 61 -0.643 11.569 -2.987 1.00 0.00 C ATOM 916 NE2 HIS A 61 -1.761 11.767 -2.312 1.00 0.00 N ATOM 0 H HIS A 61 -4.505 7.943 -5.479 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.539 9.915 -5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.517 8.457 -3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.865 7.893 -3.973 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.080 10.095 -4.349 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.655 10.663 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.240 12.190 -2.943 1.00 0.00 H new ATOM 924 N GLN A 62 -0.388 8.766 -6.635 1.00 0.00 N ATOM 925 CA GLN A 62 0.764 8.141 -7.273 1.00 0.00 C ATOM 926 C GLN A 62 1.623 7.408 -6.247 1.00 0.00 C ATOM 927 O GLN A 62 2.173 6.344 -6.531 1.00 0.00 O ATOM 928 CB GLN A 62 1.604 9.192 -8.000 1.00 0.00 C ATOM 929 CG GLN A 62 2.080 10.320 -7.099 1.00 0.00 C ATOM 930 CD GLN A 62 2.952 11.322 -7.830 1.00 0.00 C ATOM 931 OE1 GLN A 62 2.742 11.601 -9.010 1.00 0.00 O ATOM 932 NE2 GLN A 62 3.939 11.871 -7.130 1.00 0.00 N ATOM 0 H GLN A 62 -0.256 9.748 -6.395 1.00 0.00 H new ATOM 0 HA GLN A 62 0.396 7.415 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.471 8.706 -8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.017 9.613 -8.816 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.215 10.834 -6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.638 9.901 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.078 11.611 -6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.558 12.552 -7.569 1.00 0.00 H new ATOM 941 N TYR A 63 1.732 7.984 -5.055 1.00 0.00 N ATOM 942 CA TYR A 63 2.526 7.386 -3.988 1.00 0.00 C ATOM 943 C TYR A 63 2.052 5.968 -3.685 1.00 0.00 C ATOM 944 O TYR A 63 2.819 5.135 -3.204 1.00 0.00 O ATOM 945 CB TYR A 63 2.447 8.244 -2.724 1.00 0.00 C ATOM 946 CG TYR A 63 3.128 9.587 -2.860 1.00 0.00 C ATOM 947 CD1 TYR A 63 4.367 9.700 -3.479 1.00 0.00 C ATOM 948 CD2 TYR A 63 2.534 10.743 -2.368 1.00 0.00 C ATOM 949 CE1 TYR A 63 4.993 10.925 -3.605 1.00 0.00 C ATOM 950 CE2 TYR A 63 3.152 11.972 -2.490 1.00 0.00 C ATOM 951 CZ TYR A 63 4.382 12.058 -3.109 1.00 0.00 C ATOM 952 OH TYR A 63 5.001 13.280 -3.232 1.00 0.00 O ATOM 0 H TYR A 63 1.281 8.864 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 63 3.562 7.339 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.400 8.402 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.900 7.699 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.849 8.815 -3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.572 10.679 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.956 10.995 -4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.675 12.861 -2.103 1.00 0.00 H new ATOM 0 HH TYR A 63 4.437 13.974 -2.832 1.00 0.00 H new ATOM 962 N ASN A 64 0.782 5.702 -3.970 1.00 0.00 N ATOM 963 CA ASN A 64 0.204 4.385 -3.729 1.00 0.00 C ATOM 964 C ASN A 64 1.059 3.292 -4.361 1.00 0.00 C ATOM 965 O ASN A 64 1.133 2.174 -3.851 1.00 0.00 O ATOM 966 CB ASN A 64 -1.220 4.321 -4.285 1.00 0.00 C ATOM 967 CG ASN A 64 -1.779 2.911 -4.281 1.00 0.00 C ATOM 968 OD1 ASN A 64 -1.704 2.199 -5.283 1.00 0.00 O ATOM 969 ND2 ASN A 64 -2.344 2.502 -3.151 1.00 0.00 N ATOM 0 H ASN A 64 0.133 6.381 -4.368 1.00 0.00 H new ATOM 0 HA ASN A 64 0.174 4.220 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.868 4.967 -3.693 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.227 4.709 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.738 1.563 -3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.384 3.126 -2.345 1.00 0.00 H new ATOM 976 N ALA A 65 1.703 3.622 -5.476 1.00 0.00 N ATOM 977 CA ALA A 65 2.555 2.670 -6.177 1.00 0.00 C ATOM 978 C ALA A 65 3.724 2.231 -5.302 1.00 0.00 C ATOM 979 O ALA A 65 4.095 1.057 -5.288 1.00 0.00 O ATOM 980 CB ALA A 65 3.064 3.274 -7.477 1.00 0.00 C ATOM 0 H ALA A 65 1.651 4.542 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 65 1.958 1.788 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.699 2.552 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.218 3.531 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.640 4.173 -7.259 1.00 0.00 H new ATOM 986 N TYR A 66 4.300 3.180 -4.574 1.00 0.00 N ATOM 987 CA TYR A 66 5.430 2.892 -3.698 1.00 0.00 C ATOM 988 C TYR A 66 5.001 2.012 -2.527 1.00 0.00 C ATOM 989 O TYR A 66 5.769 1.177 -2.049 1.00 0.00 O ATOM 990 CB TYR A 66 6.042 4.193 -3.175 1.00 0.00 C ATOM 991 CG TYR A 66 7.140 3.979 -2.158 1.00 0.00 C ATOM 992 CD1 TYR A 66 6.846 3.832 -0.809 1.00 0.00 C ATOM 993 CD2 TYR A 66 8.473 3.924 -2.547 1.00 0.00 C ATOM 994 CE1 TYR A 66 7.846 3.637 0.124 1.00 0.00 C ATOM 995 CE2 TYR A 66 9.480 3.729 -1.622 1.00 0.00 C ATOM 996 CZ TYR A 66 9.162 3.586 -0.287 1.00 0.00 C ATOM 997 OH TYR A 66 10.161 3.391 0.638 1.00 0.00 O ATOM 0 H TYR A 66 4.003 4.156 -4.573 1.00 0.00 H new ATOM 0 HA TYR A 66 6.179 2.354 -4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.442 4.760 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.256 4.800 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.817 3.871 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.726 4.036 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.599 3.525 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.511 3.689 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 66 11.029 3.379 0.184 1.00 0.00 H new ATOM 1007 N TYR A 67 3.769 2.206 -2.071 1.00 0.00 N ATOM 1008 CA TYR A 67 3.236 1.433 -0.955 1.00 0.00 C ATOM 1009 C TYR A 67 3.118 -0.043 -1.323 1.00 0.00 C ATOM 1010 O TYR A 67 3.396 -0.921 -0.507 1.00 0.00 O ATOM 1011 CB TYR A 67 1.870 1.977 -0.536 1.00 0.00 C ATOM 1012 CG TYR A 67 1.162 1.115 0.484 1.00 0.00 C ATOM 1013 CD1 TYR A 67 1.478 1.200 1.834 1.00 0.00 C ATOM 1014 CD2 TYR A 67 0.175 0.216 0.098 1.00 0.00 C ATOM 1015 CE1 TYR A 67 0.834 0.414 2.770 1.00 0.00 C ATOM 1016 CE2 TYR A 67 -0.475 -0.573 1.027 1.00 0.00 C ATOM 1017 CZ TYR A 67 -0.142 -0.471 2.362 1.00 0.00 C ATOM 1018 OH TYR A 67 -0.786 -1.255 3.291 1.00 0.00 O ATOM 0 H TYR A 67 3.120 2.892 -2.457 1.00 0.00 H new ATOM 0 HA TYR A 67 3.928 1.526 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.997 2.979 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.239 2.072 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.241 1.893 2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.088 0.133 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.093 0.492 3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.240 -1.266 0.710 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.262 -1.979 2.834 1.00 0.00 H new ATOM 1028 N GLU A 68 2.702 -0.307 -2.558 1.00 0.00 N ATOM 1029 CA GLU A 68 2.546 -1.676 -3.034 1.00 0.00 C ATOM 1030 C GLU A 68 3.882 -2.414 -3.017 1.00 0.00 C ATOM 1031 O GLU A 68 3.929 -3.631 -2.836 1.00 0.00 O ATOM 1032 CB GLU A 68 1.965 -1.684 -4.450 1.00 0.00 C ATOM 1033 CG GLU A 68 0.471 -1.955 -4.494 1.00 0.00 C ATOM 1034 CD GLU A 68 0.121 -3.159 -5.346 1.00 0.00 C ATOM 1035 OE1 GLU A 68 0.661 -3.270 -6.467 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -0.693 -3.991 -4.892 1.00 0.00 O ATOM 0 H GLU A 68 2.467 0.409 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 68 1.858 -2.190 -2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.165 -0.722 -4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.480 -2.441 -5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.104 -2.113 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.042 -1.077 -4.885 1.00 0.00 H new ATOM 1043 N PHE A 69 4.965 -1.668 -3.205 1.00 0.00 N ATOM 1044 CA PHE A 69 6.302 -2.251 -3.213 1.00 0.00 C ATOM 1045 C PHE A 69 6.804 -2.479 -1.790 1.00 0.00 C ATOM 1046 O PHE A 69 7.212 -3.584 -1.433 1.00 0.00 O ATOM 1047 CB PHE A 69 7.273 -1.341 -3.969 1.00 0.00 C ATOM 1048 CG PHE A 69 8.669 -1.890 -4.049 1.00 0.00 C ATOM 1049 CD1 PHE A 69 9.596 -1.612 -3.057 1.00 0.00 C ATOM 1050 CD2 PHE A 69 9.055 -2.684 -5.117 1.00 0.00 C ATOM 1051 CE1 PHE A 69 10.881 -2.116 -3.128 1.00 0.00 C ATOM 1052 CE2 PHE A 69 10.339 -3.191 -5.193 1.00 0.00 C ATOM 1053 CZ PHE A 69 11.253 -2.906 -4.198 1.00 0.00 C ATOM 0 H PHE A 69 4.944 -0.659 -3.354 1.00 0.00 H new ATOM 0 HA PHE A 69 6.249 -3.215 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.896 -1.180 -4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.301 -0.367 -3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.311 -0.994 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.345 -2.909 -5.899 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.593 -1.892 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.627 -3.810 -6.030 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.257 -3.300 -4.256 1.00 0.00 H new ATOM 1063 N LYS A 70 6.771 -1.425 -0.982 1.00 0.00 N ATOM 1064 CA LYS A 70 7.221 -1.508 0.403 1.00 0.00 C ATOM 1065 C LYS A 70 6.423 -2.555 1.173 1.00 0.00 C ATOM 1066 O LYS A 70 6.968 -3.272 2.013 1.00 0.00 O ATOM 1067 CB LYS A 70 7.087 -0.145 1.087 1.00 0.00 C ATOM 1068 CG LYS A 70 8.139 0.106 2.154 1.00 0.00 C ATOM 1069 CD LYS A 70 9.528 0.225 1.551 1.00 0.00 C ATOM 1070 CE LYS A 70 10.449 -0.877 2.052 1.00 0.00 C ATOM 1071 NZ LYS A 70 11.547 -1.164 1.087 1.00 0.00 N ATOM 0 H LYS A 70 6.437 -0.503 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 70 8.270 -1.805 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.153 0.639 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.098 -0.070 1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.897 1.020 2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.125 -0.708 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.459 0.177 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.952 1.197 1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.876 -0.585 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.870 -1.784 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.152 -1.920 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.141 -1.467 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.115 -0.305 0.943 1.00 0.00 H new ATOM 1085 N LYS A 71 5.130 -2.640 0.880 1.00 0.00 N ATOM 1086 CA LYS A 71 4.257 -3.602 1.542 1.00 0.00 C ATOM 1087 C LYS A 71 4.749 -5.028 1.318 1.00 0.00 C ATOM 1088 O LYS A 71 4.973 -5.773 2.272 1.00 0.00 O ATOM 1089 CB LYS A 71 2.823 -3.459 1.026 1.00 0.00 C ATOM 1090 CG LYS A 71 1.871 -4.507 1.577 1.00 0.00 C ATOM 1091 CD LYS A 71 0.433 -4.017 1.562 1.00 0.00 C ATOM 1092 CE LYS A 71 -0.246 -4.321 0.236 1.00 0.00 C ATOM 1093 NZ LYS A 71 -1.130 -5.515 0.326 1.00 0.00 N ATOM 0 H LYS A 71 4.663 -2.054 0.188 1.00 0.00 H new ATOM 0 HA LYS A 71 4.275 -3.395 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.449 -2.468 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.829 -3.522 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.952 -5.419 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.159 -4.761 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.122 -4.489 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.412 -2.943 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.833 -3.458 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.511 -4.487 -0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.651 -5.629 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.552 -6.362 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.805 -5.389 1.107 1.00 0.00 H new ATOM 1107 N GLN A 72 4.916 -5.400 0.053 1.00 0.00 N ATOM 1108 CA GLN A 72 5.383 -6.737 -0.294 1.00 0.00 C ATOM 1109 C GLN A 72 6.759 -7.006 0.307 1.00 0.00 C ATOM 1110 O GLN A 72 7.046 -8.118 0.752 1.00 0.00 O ATOM 1111 CB GLN A 72 5.437 -6.902 -1.814 1.00 0.00 C ATOM 1112 CG GLN A 72 5.114 -8.311 -2.284 1.00 0.00 C ATOM 1113 CD GLN A 72 5.936 -8.728 -3.488 1.00 0.00 C ATOM 1114 OE1 GLN A 72 7.153 -8.545 -3.516 1.00 0.00 O ATOM 1115 NE2 GLN A 72 5.274 -9.291 -4.491 1.00 0.00 N ATOM 0 H GLN A 72 4.735 -4.795 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 72 4.679 -7.459 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.735 -6.205 -2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.432 -6.630 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.291 -9.012 -1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.055 -8.373 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.265 -9.423 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.774 -9.591 -5.328 1.00 0.00 H new ATOM 1124 N PHE A 73 7.606 -5.982 0.317 1.00 0.00 N ATOM 1125 CA PHE A 73 8.952 -6.110 0.863 1.00 0.00 C ATOM 1126 C PHE A 73 8.910 -6.607 2.305 1.00 0.00 C ATOM 1127 O PHE A 73 9.586 -7.572 2.661 1.00 0.00 O ATOM 1128 CB PHE A 73 9.681 -4.766 0.796 1.00 0.00 C ATOM 1129 CG PHE A 73 11.048 -4.794 1.418 1.00 0.00 C ATOM 1130 CD1 PHE A 73 12.138 -5.267 0.706 1.00 0.00 C ATOM 1131 CD2 PHE A 73 11.243 -4.348 2.715 1.00 0.00 C ATOM 1132 CE1 PHE A 73 13.398 -5.294 1.275 1.00 0.00 C ATOM 1133 CE2 PHE A 73 12.500 -4.372 3.289 1.00 0.00 C ATOM 1134 CZ PHE A 73 13.578 -4.847 2.569 1.00 0.00 C ATOM 0 H PHE A 73 7.384 -5.055 -0.046 1.00 0.00 H new ATOM 0 HA PHE A 73 9.493 -6.841 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.771 -4.462 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.078 -4.009 1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.002 -5.619 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.403 -3.977 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.240 -5.664 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.639 -4.019 4.300 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.560 -4.869 3.017 1.00 0.00 H new ATOM 1144 N PHE A 74 8.111 -5.939 3.131 1.00 0.00 N ATOM 1145 CA PHE A 74 7.981 -6.311 4.535 1.00 0.00 C ATOM 1146 C PHE A 74 7.246 -7.641 4.680 1.00 0.00 C ATOM 1147 O PHE A 74 7.502 -8.407 5.609 1.00 0.00 O ATOM 1148 CB PHE A 74 7.239 -5.219 5.308 1.00 0.00 C ATOM 1149 CG PHE A 74 8.104 -4.044 5.665 1.00 0.00 C ATOM 1150 CD1 PHE A 74 9.278 -4.223 6.379 1.00 0.00 C ATOM 1151 CD2 PHE A 74 7.743 -2.761 5.287 1.00 0.00 C ATOM 1152 CE1 PHE A 74 10.075 -3.144 6.709 1.00 0.00 C ATOM 1153 CE2 PHE A 74 8.537 -1.678 5.614 1.00 0.00 C ATOM 1154 CZ PHE A 74 9.705 -1.870 6.326 1.00 0.00 C ATOM 0 H PHE A 74 7.544 -5.138 2.852 1.00 0.00 H new ATOM 0 HA PHE A 74 8.983 -6.422 4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.396 -4.871 4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.827 -5.648 6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.573 -5.217 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.831 -2.605 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.987 -3.297 7.266 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.245 -0.683 5.313 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.327 -1.026 6.583 1.00 0.00 H new ATOM 1164 N LEU A 75 6.331 -7.907 3.755 1.00 0.00 N ATOM 1165 CA LEU A 75 5.557 -9.144 3.778 1.00 0.00 C ATOM 1166 C LEU A 75 6.474 -10.361 3.732 1.00 0.00 C ATOM 1167 O LEU A 75 6.477 -11.182 4.649 1.00 0.00 O ATOM 1168 CB LEU A 75 4.583 -9.181 2.599 1.00 0.00 C ATOM 1169 CG LEU A 75 3.191 -8.604 2.860 1.00 0.00 C ATOM 1170 CD1 LEU A 75 2.505 -8.250 1.549 1.00 0.00 C ATOM 1171 CD2 LEU A 75 2.347 -9.587 3.658 1.00 0.00 C ATOM 0 H LEU A 75 6.106 -7.283 2.980 1.00 0.00 H new ATOM 0 HA LEU A 75 4.992 -9.173 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.030 -8.637 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.471 -10.217 2.279 1.00 0.00 H new ATOM 0 HG LEU A 75 3.301 -7.692 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.516 -7.841 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.100 -7.509 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.407 -9.146 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.360 -9.160 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.245 -10.517 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.831 -9.790 4.614 1.00 0.00 H new ATOM 1183 N GLN A 76 7.253 -10.470 2.660 1.00 0.00 N ATOM 1184 CA GLN A 76 8.176 -11.586 2.497 1.00 0.00 C ATOM 1185 C GLN A 76 9.536 -11.262 3.106 1.00 0.00 C ATOM 1186 O GLN A 76 9.972 -11.909 4.059 1.00 0.00 O ATOM 1187 CB GLN A 76 8.337 -11.930 1.015 1.00 0.00 C ATOM 1188 CG GLN A 76 7.515 -13.132 0.577 1.00 0.00 C ATOM 1189 CD GLN A 76 8.340 -14.401 0.487 1.00 0.00 C ATOM 1190 OE1 GLN A 76 8.997 -14.798 1.450 1.00 0.00 O ATOM 1191 NE2 GLN A 76 8.309 -15.046 -0.673 1.00 0.00 N ATOM 0 H GLN A 76 7.263 -9.799 1.892 1.00 0.00 H new ATOM 0 HA GLN A 76 7.760 -12.447 3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.049 -11.066 0.416 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.389 -12.125 0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.697 -13.284 1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.065 -12.926 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.751 -14.681 -1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.843 -15.907 -0.792 1.00 0.00 H new ATOM 1200 N LYS A 77 10.203 -10.256 2.550 1.00 0.00 N ATOM 1201 CA LYS A 77 11.514 -9.844 3.038 1.00 0.00 C ATOM 1202 C LYS A 77 12.502 -11.004 2.989 1.00 0.00 C ATOM 1203 O LYS A 77 12.574 -11.810 3.917 1.00 0.00 O ATOM 1204 CB LYS A 77 11.404 -9.314 4.470 1.00 0.00 C ATOM 1205 CG LYS A 77 12.748 -9.038 5.121 1.00 0.00 C ATOM 1206 CD LYS A 77 12.691 -7.817 6.023 1.00 0.00 C ATOM 1207 CE LYS A 77 12.934 -8.187 7.478 1.00 0.00 C ATOM 1208 NZ LYS A 77 14.377 -8.422 7.757 1.00 0.00 N ATOM 0 H LYS A 77 9.857 -9.711 1.761 1.00 0.00 H new ATOM 0 HA LYS A 77 11.882 -9.049 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.817 -8.396 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.858 -10.038 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.057 -9.907 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.503 -8.886 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.438 -7.091 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.717 -7.337 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.565 -7.389 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.366 -9.084 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.501 -8.672 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.724 -9.201 7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.916 -7.558 7.546 1.00 0.00 H new ATOM 1222 N GLU A 78 13.263 -11.082 1.902 1.00 0.00 N ATOM 1223 CA GLU A 78 14.248 -12.144 1.734 1.00 0.00 C ATOM 1224 C GLU A 78 15.666 -11.597 1.865 1.00 0.00 C ATOM 1225 O GLU A 78 16.597 -12.097 1.235 1.00 0.00 O ATOM 1226 CB GLU A 78 14.074 -12.820 0.372 1.00 0.00 C ATOM 1227 CG GLU A 78 12.799 -13.638 0.256 1.00 0.00 C ATOM 1228 CD GLU A 78 12.749 -14.465 -1.013 1.00 0.00 C ATOM 1229 OE1 GLU A 78 12.348 -13.920 -2.063 1.00 0.00 O ATOM 1230 OE2 GLU A 78 13.113 -15.659 -0.957 1.00 0.00 O ATOM 0 H GLU A 78 13.216 -10.423 1.125 1.00 0.00 H new ATOM 0 HA GLU A 78 14.088 -12.881 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.078 -12.057 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.930 -13.469 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.716 -14.299 1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.939 -12.969 0.283 1.00 0.00 H new ATOM 1237 N GLY A 79 15.823 -10.565 2.689 1.00 0.00 N ATOM 1238 CA GLY A 79 17.129 -9.966 2.888 1.00 0.00 C ATOM 1239 C GLY A 79 17.193 -9.118 4.143 1.00 0.00 C ATOM 1240 O GLY A 79 16.348 -8.250 4.357 1.00 0.00 O ATOM 0 H GLY A 79 15.068 -10.133 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.881 -10.753 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.378 -9.350 2.024 1.00 0.00 H new ATOM 1244 N GLY A 80 18.198 -9.371 4.976 1.00 0.00 N ATOM 1245 CA GLY A 80 18.349 -8.617 6.206 1.00 0.00 C ATOM 1246 C GLY A 80 19.234 -9.323 7.214 1.00 0.00 C ATOM 1247 O GLY A 80 18.809 -10.283 7.858 1.00 0.00 O ATOM 0 H GLY A 80 18.910 -10.085 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.771 -7.638 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.367 -8.446 6.647 1.00 0.00 H new ATOM 1251 N ASP A 81 20.467 -8.849 7.351 1.00 0.00 N ATOM 1252 CA ASP A 81 21.415 -9.442 8.288 1.00 0.00 C ATOM 1253 C ASP A 81 21.021 -9.132 9.728 1.00 0.00 C ATOM 1254 O ASP A 81 21.317 -9.901 10.643 1.00 0.00 O ATOM 1255 CB ASP A 81 22.828 -8.929 8.010 1.00 0.00 C ATOM 1256 CG ASP A 81 23.876 -10.016 8.141 1.00 0.00 C ATOM 1257 OD1 ASP A 81 24.396 -10.206 9.261 1.00 0.00 O ATOM 1258 OD2 ASP A 81 24.176 -10.677 7.125 1.00 0.00 O ATOM 0 H ASP A 81 20.834 -8.056 6.825 1.00 0.00 H new ATOM 0 HA ASP A 81 21.397 -10.523 8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 81 22.868 -8.510 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 81 23.060 -8.120 8.702 1.00 0.00 H new ATOM 1263 N SER A 82 20.353 -8.000 9.923 1.00 0.00 N ATOM 1264 CA SER A 82 19.923 -7.585 11.254 1.00 0.00 C ATOM 1265 C SER A 82 19.128 -6.285 11.187 1.00 0.00 C ATOM 1266 O SER A 82 19.296 -5.488 10.264 1.00 0.00 O ATOM 1267 CB SER A 82 21.134 -7.408 12.172 1.00 0.00 C ATOM 1268 OG SER A 82 21.086 -8.315 13.259 1.00 0.00 O ATOM 0 H SER A 82 20.098 -7.353 9.177 1.00 0.00 H new ATOM 0 HA SER A 82 19.279 -8.365 11.660 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.051 -7.564 11.604 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.163 -6.385 12.548 1.00 0.00 H new ATOM 0 HG SER A 82 21.120 -9.234 12.920 1.00 0.00 H new ATOM 1274 N MET A 83 18.260 -6.078 12.172 1.00 0.00 N ATOM 1275 CA MET A 83 17.438 -4.875 12.227 1.00 0.00 C ATOM 1276 C MET A 83 18.117 -3.790 13.057 1.00 0.00 C ATOM 1277 O MET A 83 17.877 -2.600 12.855 1.00 0.00 O ATOM 1278 CB MET A 83 16.063 -5.197 12.813 1.00 0.00 C ATOM 1279 CG MET A 83 15.086 -5.764 11.796 1.00 0.00 C ATOM 1280 SD MET A 83 14.277 -7.269 12.373 1.00 0.00 S ATOM 1281 CE MET A 83 12.555 -6.789 12.268 1.00 0.00 C ATOM 0 H MET A 83 18.108 -6.728 12.943 1.00 0.00 H new ATOM 0 HA MET A 83 17.313 -4.504 11.210 1.00 0.00 H new ATOM 0 HB2 MET A 83 16.183 -5.912 13.627 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.640 -4.290 13.245 1.00 0.00 H new ATOM 0 HG2 MET A 83 14.329 -5.014 11.568 1.00 0.00 H new ATOM 0 HG3 MET A 83 15.616 -5.974 10.867 1.00 0.00 H new ATOM 0 HE1 MET A 83 11.926 -7.618 12.593 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.378 -5.926 12.910 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.311 -6.531 11.237 1.00 0.00 H new ATOM 1291 N GLN A 84 18.964 -4.210 13.992 1.00 0.00 N ATOM 1292 CA GLN A 84 19.675 -3.273 14.853 1.00 0.00 C ATOM 1293 C GLN A 84 20.856 -2.646 14.118 1.00 0.00 C ATOM 1294 O GLN A 84 21.017 -1.426 14.110 1.00 0.00 O ATOM 1295 CB GLN A 84 20.165 -3.981 16.118 1.00 0.00 C ATOM 1296 CG GLN A 84 20.920 -3.069 17.072 1.00 0.00 C ATOM 1297 CD GLN A 84 22.246 -3.657 17.513 1.00 0.00 C ATOM 1298 OE1 GLN A 84 22.987 -4.220 16.707 1.00 0.00 O ATOM 1299 NE2 GLN A 84 22.553 -3.527 18.798 1.00 0.00 N ATOM 0 H GLN A 84 19.174 -5.192 14.172 1.00 0.00 H new ATOM 0 HA GLN A 84 18.982 -2.480 15.134 1.00 0.00 H new ATOM 0 HB2 GLN A 84 19.309 -4.409 16.639 1.00 0.00 H new ATOM 0 HB3 GLN A 84 20.812 -4.810 15.833 1.00 0.00 H new ATOM 0 HG2 GLN A 84 21.096 -2.108 16.588 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.303 -2.876 17.949 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.909 -3.053 19.431 1.00 0.00 H new ATOM 0 HE22 GLN A 84 23.433 -3.901 19.152 1.00 0.00 H new ATOM 1308 N ALA A 85 21.678 -3.489 13.502 1.00 0.00 N ATOM 1309 CA ALA A 85 22.842 -3.018 12.762 1.00 0.00 C ATOM 1310 C ALA A 85 22.426 -2.172 11.564 1.00 0.00 C ATOM 1311 O ALA A 85 21.819 -2.674 10.618 1.00 0.00 O ATOM 1312 CB ALA A 85 23.693 -4.195 12.310 1.00 0.00 C ATOM 0 H ALA A 85 21.559 -4.502 13.501 1.00 0.00 H new ATOM 0 HA ALA A 85 23.435 -2.391 13.428 1.00 0.00 H new ATOM 0 HB1 ALA A 85 24.559 -3.828 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 85 24.029 -4.757 13.181 1.00 0.00 H new ATOM 0 HB3 ALA A 85 23.102 -4.845 11.665 1.00 0.00 H new ATOM 1318 N VAL A 86 22.755 -0.885 11.610 1.00 0.00 N ATOM 1319 CA VAL A 86 22.415 0.031 10.527 1.00 0.00 C ATOM 1320 C VAL A 86 23.079 1.388 10.727 1.00 0.00 C ATOM 1321 O VAL A 86 23.073 1.937 11.829 1.00 0.00 O ATOM 1322 CB VAL A 86 20.892 0.227 10.416 1.00 0.00 C ATOM 1323 CG1 VAL A 86 20.353 0.940 11.647 1.00 0.00 C ATOM 1324 CG2 VAL A 86 20.545 0.997 9.150 1.00 0.00 C ATOM 0 H VAL A 86 23.257 -0.453 12.386 1.00 0.00 H new ATOM 0 HA VAL A 86 22.784 -0.418 9.605 1.00 0.00 H new ATOM 0 HB VAL A 86 20.421 -0.754 10.359 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.275 1.069 11.550 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.569 0.346 12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 86 20.829 1.916 11.739 1.00 0.00 H new ATOM 0 HG21 VAL A 86 19.465 1.126 9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 86 21.027 1.974 9.175 1.00 0.00 H new ATOM 0 HG23 VAL A 86 20.895 0.442 8.279 1.00 0.00 H new ATOM 1334 N SER A 87 23.649 1.926 9.654 1.00 0.00 N ATOM 1335 CA SER A 87 24.321 3.219 9.712 1.00 0.00 C ATOM 1336 C SER A 87 23.511 4.285 8.980 1.00 0.00 C ATOM 1337 O SER A 87 23.415 5.426 9.431 1.00 0.00 O ATOM 1338 CB SER A 87 25.721 3.119 9.103 1.00 0.00 C ATOM 1339 OG SER A 87 25.710 3.492 7.736 1.00 0.00 O ATOM 0 H SER A 87 23.659 1.487 8.734 1.00 0.00 H new ATOM 0 HA SER A 87 24.408 3.508 10.759 1.00 0.00 H new ATOM 0 HB2 SER A 87 26.407 3.763 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 87 26.092 2.099 9.202 1.00 0.00 H new ATOM 0 HG SER A 87 26.616 3.421 7.370 1.00 0.00 H new ATOM 1345 N ALA A 88 22.929 3.903 7.847 1.00 0.00 N ATOM 1346 CA ALA A 88 22.126 4.824 7.053 1.00 0.00 C ATOM 1347 C ALA A 88 20.950 4.105 6.402 1.00 0.00 C ATOM 1348 O ALA A 88 20.975 2.893 6.185 1.00 0.00 O ATOM 1349 CB ALA A 88 22.987 5.498 5.995 1.00 0.00 C ATOM 0 H ALA A 88 22.999 2.962 7.459 1.00 0.00 H new ATOM 0 HA ALA A 88 21.727 5.588 7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 88 22.374 6.183 5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 88 23.790 6.053 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 88 23.414 4.741 5.337 1.00 0.00 H new ATOM 1355 N PRO A 89 19.893 4.866 6.081 1.00 0.00 N ATOM 1356 CA PRO A 89 18.687 4.322 5.450 1.00 0.00 C ATOM 1357 C PRO A 89 18.933 3.886 4.010 1.00 0.00 C ATOM 1358 O PRO A 89 19.386 4.676 3.182 1.00 0.00 O ATOM 1359 CB PRO A 89 17.704 5.495 5.494 1.00 0.00 C ATOM 1360 CG PRO A 89 18.565 6.710 5.538 1.00 0.00 C ATOM 1361 CD PRO A 89 19.794 6.318 6.311 1.00 0.00 C ATOM 0 HA PRO A 89 18.328 3.428 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 89 17.055 5.501 4.618 1.00 0.00 H new ATOM 0 HB3 PRO A 89 17.057 5.437 6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.825 7.041 4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.047 7.538 6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 89 20.679 6.843 5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 89 19.693 6.551 7.371 1.00 0.00 H new ATOM 1369 N GLU A 90 18.631 2.625 3.718 1.00 0.00 N ATOM 1370 CA GLU A 90 18.821 2.086 2.377 1.00 0.00 C ATOM 1371 C GLU A 90 17.798 2.670 1.406 1.00 0.00 C ATOM 1372 O GLU A 90 17.332 3.794 1.584 1.00 0.00 O ATOM 1373 CB GLU A 90 18.708 0.560 2.396 1.00 0.00 C ATOM 1374 CG GLU A 90 20.026 -0.151 2.141 1.00 0.00 C ATOM 1375 CD GLU A 90 20.027 -1.580 2.650 1.00 0.00 C ATOM 1376 OE1 GLU A 90 19.496 -1.815 3.756 1.00 0.00 O ATOM 1377 OE2 GLU A 90 20.558 -2.462 1.944 1.00 0.00 O ATOM 0 H GLU A 90 18.254 1.958 4.392 1.00 0.00 H new ATOM 0 HA GLU A 90 19.819 2.365 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 90 18.316 0.245 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.985 0.248 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 90 20.234 -0.150 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 90 20.832 0.403 2.622 1.00 0.00 H new TER 1384 GLU A 90