USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 982 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 TYR OH : rot 32:sc= 0.0289 USER MOD Set 1.2: B 36 ASN : amide:sc= -1.28 K(o=-1.2,f=-2.4) USER MOD Set 2.1: A 14 TYR OH : rot 29:sc= 0.0323 USER MOD Set 2.2: A 36 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.5) USER MOD Single : A 5 SER OG : rot 72:sc= 1.11 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 8 THR OG1 : rot -80:sc= -1.15 USER MOD Single : A 23 HIS : no HD1:sc= -6.48! C(o=-6.5!,f=-6.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -170:sc= 0.0546 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0643 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.000316 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -3.49 X(o=-3.5,f=-3.1!) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 52 ASN : amide:sc= -4.71! C(o=-4.7!,f=-9.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= 0.13 (180deg=0.0359) USER MOD Single : A 61 TYR OH : rot 127:sc= 0.834 USER MOD Single : A 63 ASN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 64 SER OG : rot 96:sc= 0.726 USER MOD Single : B 5 SER OG : rot 71:sc= 1.16 USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.198 USER MOD Single : B 8 THR OG1 : rot -80:sc= -1.23 USER MOD Single : B 23 HIS : no HD1:sc= -6.33! C(o=-6.3!,f=-6.4!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -170:sc= 0.0475 USER MOD Single : B 31 SER OG : rot 180:sc= 0.0621 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc=-0.00661 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -3.5 X(o=-3.5,f=-3.3!) USER MOD Single : B 48 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : B 52 ASN : amide:sc= -4.94! C(o=-4.9!,f=-9.3!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 LYS NZ :NH3+ 159:sc= 0.128 (180deg=0.0362) USER MOD Single : B 61 TYR OH : rot 115:sc= 0.981 USER MOD Single : B 63 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : B 64 SER OG : rot 95:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 58 N SER A 5 12.871 -6.500 -2.631 1.00 0.00 N ATOM 59 CA SER A 5 13.271 -5.065 -2.660 1.00 0.00 C ATOM 60 C SER A 5 12.721 -4.415 -3.931 1.00 0.00 C ATOM 61 O SER A 5 13.447 -4.144 -4.867 1.00 0.00 O ATOM 62 CB SER A 5 14.798 -4.958 -2.650 1.00 0.00 C ATOM 63 OG SER A 5 15.311 -5.403 -3.896 1.00 0.00 O ATOM 0 HA SER A 5 12.869 -4.555 -1.784 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.100 -3.927 -2.468 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.210 -5.559 -1.839 1.00 0.00 H new ATOM 0 HG SER A 5 15.109 -4.740 -4.589 1.00 0.00 H new ATOM 69 N ASP A 6 11.440 -4.170 -3.974 1.00 0.00 N ATOM 70 CA ASP A 6 10.836 -3.547 -5.184 1.00 0.00 C ATOM 71 C ASP A 6 9.399 -3.132 -4.871 1.00 0.00 C ATOM 72 O ASP A 6 9.070 -2.820 -3.744 1.00 0.00 O ATOM 73 CB ASP A 6 10.863 -4.559 -6.335 1.00 0.00 C ATOM 74 CG ASP A 6 9.961 -5.750 -6.002 1.00 0.00 C ATOM 75 OD1 ASP A 6 10.455 -6.695 -5.409 1.00 0.00 O ATOM 76 OD2 ASP A 6 8.792 -5.698 -6.347 1.00 0.00 O ATOM 0 H ASP A 6 10.784 -4.375 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 6 11.403 -2.663 -5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.527 -4.084 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.884 -4.901 -6.506 1.00 0.00 H new ATOM 81 N THR A 7 8.541 -3.107 -5.854 1.00 0.00 N ATOM 82 CA THR A 7 7.144 -2.689 -5.591 1.00 0.00 C ATOM 83 C THR A 7 6.376 -3.837 -4.931 1.00 0.00 C ATOM 84 O THR A 7 6.881 -4.933 -4.788 1.00 0.00 O ATOM 85 CB THR A 7 6.463 -2.304 -6.907 1.00 0.00 C ATOM 86 OG1 THR A 7 5.143 -1.849 -6.642 1.00 0.00 O ATOM 87 CG2 THR A 7 6.404 -3.521 -7.834 1.00 0.00 C ATOM 0 H THR A 7 8.749 -3.357 -6.821 1.00 0.00 H new ATOM 0 HA THR A 7 7.148 -1.828 -4.923 1.00 0.00 H new ATOM 0 HB THR A 7 7.034 -1.510 -7.389 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.707 -1.601 -7.484 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.919 -3.243 -8.769 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.416 -3.871 -8.040 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.836 -4.317 -7.353 1.00 0.00 H new ATOM 95 N THR A 8 5.160 -3.593 -4.528 1.00 0.00 N ATOM 96 CA THR A 8 4.359 -4.667 -3.877 1.00 0.00 C ATOM 97 C THR A 8 2.863 -4.415 -4.132 1.00 0.00 C ATOM 98 O THR A 8 2.310 -3.463 -3.618 1.00 0.00 O ATOM 99 CB THR A 8 4.626 -4.659 -2.371 1.00 0.00 C ATOM 100 OG1 THR A 8 5.912 -4.110 -2.121 1.00 0.00 O ATOM 101 CG2 THR A 8 4.571 -6.091 -1.835 1.00 0.00 C ATOM 0 H THR A 8 4.686 -2.695 -4.622 1.00 0.00 H new ATOM 0 HA THR A 8 4.642 -5.634 -4.292 1.00 0.00 H new ATOM 0 HB THR A 8 3.869 -4.055 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.596 -4.794 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.761 -6.085 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.585 -6.514 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.328 -6.696 -2.334 1.00 0.00 H new ATOM 109 N PRO A 9 2.244 -5.273 -4.919 1.00 0.00 N ATOM 110 CA PRO A 9 0.813 -5.141 -5.241 1.00 0.00 C ATOM 111 C PRO A 9 -0.027 -5.222 -3.966 1.00 0.00 C ATOM 112 O PRO A 9 -0.277 -6.288 -3.442 1.00 0.00 O ATOM 113 CB PRO A 9 0.507 -6.333 -6.163 1.00 0.00 C ATOM 114 CG PRO A 9 1.821 -7.137 -6.344 1.00 0.00 C ATOM 115 CD PRO A 9 2.912 -6.432 -5.545 1.00 0.00 C ATOM 0 HA PRO A 9 0.581 -4.186 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.270 -6.962 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.135 -5.986 -7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.693 -8.162 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.094 -7.191 -7.398 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.339 -7.094 -4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.730 -6.114 -6.191 1.00 0.00 H new ATOM 123 N CYS A 10 -0.461 -4.100 -3.459 1.00 0.00 N ATOM 124 CA CYS A 10 -1.282 -4.116 -2.217 1.00 0.00 C ATOM 125 C CYS A 10 -2.314 -3.002 -2.261 1.00 0.00 C ATOM 126 O CYS A 10 -2.166 -2.028 -2.973 1.00 0.00 O ATOM 127 CB CYS A 10 -0.377 -3.910 -1.001 1.00 0.00 C ATOM 128 SG CYS A 10 0.882 -5.207 -0.948 1.00 0.00 S ATOM 0 H CYS A 10 -0.283 -3.175 -3.851 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.790 -5.078 -2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.099 -2.931 -1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.971 -3.929 -0.087 1.00 0.00 H new ATOM 133 N CYS A 11 -3.359 -3.139 -1.502 1.00 0.00 N ATOM 134 CA CYS A 11 -4.401 -2.089 -1.494 1.00 0.00 C ATOM 135 C CYS A 11 -4.141 -1.151 -0.301 1.00 0.00 C ATOM 136 O CYS A 11 -3.370 -1.459 0.586 1.00 0.00 O ATOM 137 CB CYS A 11 -5.799 -2.765 -1.447 1.00 0.00 C ATOM 138 SG CYS A 11 -6.875 -2.094 -0.144 1.00 0.00 S ATOM 0 H CYS A 11 -3.535 -3.934 -0.887 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.371 -1.483 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.288 -2.641 -2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.673 -3.836 -1.289 1.00 0.00 H new ATOM 143 N PHE A 12 -4.786 -0.016 -0.275 1.00 0.00 N ATOM 144 CA PHE A 12 -4.583 0.929 0.859 1.00 0.00 C ATOM 145 C PHE A 12 -5.829 0.928 1.748 1.00 0.00 C ATOM 146 O PHE A 12 -5.793 0.500 2.884 1.00 0.00 O ATOM 147 CB PHE A 12 -4.343 2.340 0.317 1.00 0.00 C ATOM 148 CG PHE A 12 -4.139 3.295 1.469 1.00 0.00 C ATOM 149 CD1 PHE A 12 -3.028 3.135 2.326 1.00 0.00 C ATOM 150 CD2 PHE A 12 -5.066 4.336 1.699 1.00 0.00 C ATOM 151 CE1 PHE A 12 -2.842 4.019 3.413 1.00 0.00 C ATOM 152 CE2 PHE A 12 -4.881 5.218 2.787 1.00 0.00 C ATOM 153 CZ PHE A 12 -3.769 5.060 3.644 1.00 0.00 C ATOM 0 H PHE A 12 -5.444 0.297 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.717 0.616 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.469 2.347 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.193 2.658 -0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.321 2.338 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.916 4.457 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.991 3.899 4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.590 6.013 2.964 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.628 5.735 4.475 1.00 0.00 H new ATOM 163 N ALA A 13 -6.934 1.404 1.240 1.00 0.00 N ATOM 164 CA ALA A 13 -8.181 1.429 2.056 1.00 0.00 C ATOM 165 C ALA A 13 -9.210 0.493 1.442 1.00 0.00 C ATOM 166 O ALA A 13 -9.178 0.201 0.263 1.00 0.00 O ATOM 167 CB ALA A 13 -8.739 2.852 2.101 1.00 0.00 C ATOM 0 H ALA A 13 -7.027 1.777 0.295 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.955 1.101 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.651 2.867 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.001 3.518 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.963 3.187 1.088 1.00 0.00 H new ATOM 173 N TYR A 14 -10.122 0.007 2.237 1.00 0.00 N ATOM 174 CA TYR A 14 -11.145 -0.923 1.694 1.00 0.00 C ATOM 175 C TYR A 14 -12.462 -0.172 1.488 1.00 0.00 C ATOM 176 O TYR A 14 -12.844 0.659 2.289 1.00 0.00 O ATOM 177 CB TYR A 14 -11.384 -2.098 2.659 1.00 0.00 C ATOM 178 CG TYR A 14 -10.144 -2.386 3.482 1.00 0.00 C ATOM 179 CD1 TYR A 14 -9.139 -3.238 2.973 1.00 0.00 C ATOM 180 CD2 TYR A 14 -9.998 -1.811 4.765 1.00 0.00 C ATOM 181 CE1 TYR A 14 -7.990 -3.518 3.748 1.00 0.00 C ATOM 182 CE2 TYR A 14 -8.849 -2.088 5.538 1.00 0.00 C ATOM 183 CZ TYR A 14 -7.845 -2.942 5.030 1.00 0.00 C ATOM 184 OH TYR A 14 -6.724 -3.216 5.787 1.00 0.00 O ATOM 0 H TYR A 14 -10.202 0.213 3.233 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.782 -1.315 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.218 -1.866 3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.664 -2.987 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.248 -3.676 1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.766 -1.159 5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.223 -4.172 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.738 -1.647 6.518 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.966 -3.403 5.194 1.00 0.00 H new ATOM 194 N ILE A 15 -13.164 -0.457 0.425 1.00 0.00 N ATOM 195 CA ILE A 15 -14.458 0.241 0.179 1.00 0.00 C ATOM 196 C ILE A 15 -15.542 -0.367 1.074 1.00 0.00 C ATOM 197 O ILE A 15 -15.823 -1.547 1.008 1.00 0.00 O ATOM 198 CB ILE A 15 -14.856 0.075 -1.289 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.193 0.777 -1.537 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.995 -1.414 -1.614 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.393 0.975 -3.040 1.00 0.00 C ATOM 0 H ILE A 15 -12.898 -1.142 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.349 1.301 0.408 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.089 0.517 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -17.009 0.183 -1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.211 1.740 -1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.279 -1.533 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.044 -1.915 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.762 -1.855 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.345 1.475 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -15.583 1.586 -3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.394 0.005 -3.538 1.00 0.00 H new ATOM 213 N ALA A 16 -16.153 0.429 1.909 1.00 0.00 N ATOM 214 CA ALA A 16 -17.219 -0.104 2.805 1.00 0.00 C ATOM 215 C ALA A 16 -18.503 -0.303 2.000 1.00 0.00 C ATOM 216 O ALA A 16 -19.373 0.546 1.975 1.00 0.00 O ATOM 217 CB ALA A 16 -17.478 0.890 3.940 1.00 0.00 C ATOM 0 H ALA A 16 -15.960 1.426 2.010 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.899 -1.058 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.257 0.500 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.562 1.035 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.799 1.844 3.522 1.00 0.00 H new ATOM 223 N ARG A 17 -18.626 -1.421 1.335 1.00 0.00 N ATOM 224 CA ARG A 17 -19.846 -1.691 0.520 1.00 0.00 C ATOM 225 C ARG A 17 -19.573 -2.909 -0.381 1.00 0.00 C ATOM 226 O ARG A 17 -18.776 -2.814 -1.293 1.00 0.00 O ATOM 227 CB ARG A 17 -20.164 -0.479 -0.362 1.00 0.00 C ATOM 228 CG ARG A 17 -21.493 0.140 0.079 1.00 0.00 C ATOM 229 CD ARG A 17 -22.594 -0.259 -0.906 1.00 0.00 C ATOM 230 NE ARG A 17 -23.822 -0.638 -0.151 1.00 0.00 N ATOM 231 CZ ARG A 17 -24.653 -1.509 -0.654 1.00 0.00 C ATOM 232 NH1 ARG A 17 -25.364 -1.203 -1.705 1.00 0.00 N ATOM 233 NH2 ARG A 17 -24.776 -2.687 -0.106 1.00 0.00 N ATOM 0 H ARG A 17 -17.928 -2.164 1.322 1.00 0.00 H new ATOM 0 HA ARG A 17 -20.692 -1.885 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.365 0.258 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.221 -0.782 -1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.749 -0.199 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -21.404 1.226 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -22.810 0.569 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -22.261 -1.094 -1.522 1.00 0.00 H new ATOM 0 HE ARG A 17 -24.013 -0.217 0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -25.270 -0.282 -2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -26.013 -1.885 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -24.222 -2.927 0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -25.426 -3.367 -0.500 1.00 0.00 H new ATOM 247 N PRO A 18 -20.227 -4.022 -0.114 1.00 0.00 N ATOM 248 CA PRO A 18 -20.024 -5.236 -0.920 1.00 0.00 C ATOM 249 C PRO A 18 -20.249 -4.930 -2.400 1.00 0.00 C ATOM 250 O PRO A 18 -21.366 -4.837 -2.869 1.00 0.00 O ATOM 251 CB PRO A 18 -21.056 -6.240 -0.390 1.00 0.00 C ATOM 252 CG PRO A 18 -21.804 -5.566 0.788 1.00 0.00 C ATOM 253 CD PRO A 18 -21.206 -4.166 0.982 1.00 0.00 C ATOM 0 HA PRO A 18 -19.010 -5.629 -0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -21.756 -6.521 -1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.565 -7.155 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -22.871 -5.500 0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -21.696 -6.157 1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -21.976 -3.396 0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.727 -4.072 1.956 1.00 0.00 H new ATOM 261 N LEU A 19 -19.180 -4.766 -3.135 1.00 0.00 N ATOM 262 CA LEU A 19 -19.294 -4.456 -4.588 1.00 0.00 C ATOM 263 C LEU A 19 -20.296 -5.413 -5.256 1.00 0.00 C ATOM 264 O LEU A 19 -20.398 -6.555 -4.863 1.00 0.00 O ATOM 265 CB LEU A 19 -17.923 -4.635 -5.244 1.00 0.00 C ATOM 266 CG LEU A 19 -16.935 -3.618 -4.668 1.00 0.00 C ATOM 267 CD1 LEU A 19 -15.584 -3.768 -5.372 1.00 0.00 C ATOM 268 CD2 LEU A 19 -17.468 -2.202 -4.887 1.00 0.00 C ATOM 0 H LEU A 19 -18.224 -4.835 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 19 -19.642 -3.430 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -17.558 -5.648 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.006 -4.504 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.813 -3.797 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.878 -3.045 -4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.202 -4.777 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.709 -3.590 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.762 -1.480 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -17.592 -2.021 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -18.430 -2.094 -4.387 1.00 0.00 H new ATOM 280 N PRO A 20 -21.002 -4.927 -6.258 1.00 0.00 N ATOM 281 CA PRO A 20 -21.981 -5.755 -6.980 1.00 0.00 C ATOM 282 C PRO A 20 -21.265 -6.921 -7.666 1.00 0.00 C ATOM 283 O PRO A 20 -20.358 -6.728 -8.452 1.00 0.00 O ATOM 284 CB PRO A 20 -22.601 -4.814 -8.025 1.00 0.00 C ATOM 285 CG PRO A 20 -21.939 -3.423 -7.860 1.00 0.00 C ATOM 286 CD PRO A 20 -20.893 -3.533 -6.742 1.00 0.00 C ATOM 0 HA PRO A 20 -22.736 -6.183 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -22.436 -5.199 -9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -23.679 -4.743 -7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -21.470 -3.110 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -22.687 -2.671 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.891 -3.321 -7.115 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -21.092 -2.820 -5.942 1.00 0.00 H new ATOM 294 N ARG A 21 -21.656 -8.128 -7.371 1.00 0.00 N ATOM 295 CA ARG A 21 -20.991 -9.303 -8.001 1.00 0.00 C ATOM 296 C ARG A 21 -21.204 -9.273 -9.517 1.00 0.00 C ATOM 297 O ARG A 21 -20.496 -9.919 -10.263 1.00 0.00 O ATOM 298 CB ARG A 21 -21.588 -10.591 -7.432 1.00 0.00 C ATOM 299 CG ARG A 21 -20.579 -11.732 -7.580 1.00 0.00 C ATOM 300 CD ARG A 21 -20.261 -12.314 -6.202 1.00 0.00 C ATOM 301 NE ARG A 21 -21.410 -13.138 -5.730 1.00 0.00 N ATOM 302 CZ ARG A 21 -21.987 -12.862 -4.593 1.00 0.00 C ATOM 303 NH1 ARG A 21 -21.305 -12.924 -3.482 1.00 0.00 N ATOM 304 NH2 ARG A 21 -23.247 -12.523 -4.566 1.00 0.00 N ATOM 0 H ARG A 21 -22.408 -8.353 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 21 -19.923 -9.266 -7.787 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -21.844 -10.452 -6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -22.512 -10.838 -7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -20.984 -12.508 -8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -19.667 -11.366 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.359 -12.924 -6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -20.062 -11.510 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 21 -21.745 -13.918 -6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -20.320 -13.188 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -21.757 -12.708 -2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -23.781 -12.474 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -23.698 -12.307 -3.677 1.00 0.00 H new ATOM 318 N ALA A 22 -22.174 -8.533 -9.980 1.00 0.00 N ATOM 319 CA ALA A 22 -22.423 -8.475 -11.447 1.00 0.00 C ATOM 320 C ALA A 22 -21.604 -7.343 -12.067 1.00 0.00 C ATOM 321 O ALA A 22 -21.336 -7.337 -13.252 1.00 0.00 O ATOM 322 CB ALA A 22 -23.911 -8.227 -11.703 1.00 0.00 C ATOM 0 H ALA A 22 -22.802 -7.968 -9.408 1.00 0.00 H new ATOM 0 HA ALA A 22 -22.128 -9.422 -11.899 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -24.093 -8.185 -12.777 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -24.495 -9.038 -11.268 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -24.206 -7.282 -11.247 1.00 0.00 H new ATOM 328 N HIS A 23 -21.204 -6.382 -11.281 1.00 0.00 N ATOM 329 CA HIS A 23 -20.406 -5.256 -11.840 1.00 0.00 C ATOM 330 C HIS A 23 -18.912 -5.560 -11.702 1.00 0.00 C ATOM 331 O HIS A 23 -18.089 -4.941 -12.348 1.00 0.00 O ATOM 332 CB HIS A 23 -20.728 -3.966 -11.085 1.00 0.00 C ATOM 333 CG HIS A 23 -22.217 -3.745 -11.062 1.00 0.00 C ATOM 334 ND1 HIS A 23 -22.785 -2.585 -10.551 1.00 0.00 N ATOM 335 CD2 HIS A 23 -23.268 -4.516 -11.502 1.00 0.00 C ATOM 336 CE1 HIS A 23 -24.112 -2.685 -10.690 1.00 0.00 C ATOM 337 NE2 HIS A 23 -24.462 -3.846 -11.264 1.00 0.00 N ATOM 0 H HIS A 23 -21.394 -6.328 -10.280 1.00 0.00 H new ATOM 0 HA HIS A 23 -20.658 -5.134 -12.893 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -20.344 -4.025 -10.066 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -20.233 -3.121 -11.564 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -23.179 -5.490 -11.961 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -24.814 -1.926 -10.379 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -25.405 -4.169 -11.480 1.00 0.00 H new ATOM 345 N ILE A 24 -18.545 -6.504 -10.874 1.00 0.00 N ATOM 346 CA ILE A 24 -17.094 -6.817 -10.726 1.00 0.00 C ATOM 347 C ILE A 24 -16.683 -7.833 -11.795 1.00 0.00 C ATOM 348 O ILE A 24 -17.510 -8.521 -12.360 1.00 0.00 O ATOM 349 CB ILE A 24 -16.800 -7.419 -9.348 1.00 0.00 C ATOM 350 CG1 ILE A 24 -17.162 -6.430 -8.242 1.00 0.00 C ATOM 351 CG2 ILE A 24 -15.308 -7.751 -9.244 1.00 0.00 C ATOM 352 CD1 ILE A 24 -16.919 -7.081 -6.879 1.00 0.00 C ATOM 0 H ILE A 24 -19.177 -7.064 -10.302 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.533 -5.889 -10.838 1.00 0.00 H new ATOM 0 HB ILE A 24 -17.398 -8.323 -9.230 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -16.562 -5.525 -8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -18.206 -6.131 -8.334 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.098 -8.179 -8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -15.040 -8.469 -10.019 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.723 -6.841 -9.375 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -17.177 -6.377 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -17.538 -7.973 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.868 -7.358 -6.790 1.00 0.00 H new ATOM 364 N LYS A 25 -15.410 -7.950 -12.059 1.00 0.00 N ATOM 365 CA LYS A 25 -14.953 -8.946 -13.069 1.00 0.00 C ATOM 366 C LYS A 25 -14.215 -10.075 -12.348 1.00 0.00 C ATOM 367 O LYS A 25 -14.704 -11.183 -12.243 1.00 0.00 O ATOM 368 CB LYS A 25 -14.012 -8.283 -14.078 1.00 0.00 C ATOM 369 CG LYS A 25 -13.765 -9.240 -15.247 1.00 0.00 C ATOM 370 CD LYS A 25 -13.112 -8.481 -16.403 1.00 0.00 C ATOM 371 CE LYS A 25 -13.480 -9.154 -17.727 1.00 0.00 C ATOM 372 NZ LYS A 25 -12.408 -10.116 -18.110 1.00 0.00 N ATOM 0 H LYS A 25 -14.670 -7.402 -11.621 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.816 -9.343 -13.604 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.448 -7.352 -14.441 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.068 -8.027 -13.598 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.122 -10.061 -14.929 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.707 -9.681 -15.574 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.445 -7.443 -16.405 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.029 -8.468 -16.278 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.433 -9.674 -17.630 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.605 -8.403 -18.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.658 -10.574 -19.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.507 -9.607 -18.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.310 -10.839 -17.369 1.00 0.00 H new ATOM 386 N GLU A 26 -13.036 -9.805 -11.855 1.00 0.00 N ATOM 387 CA GLU A 26 -12.262 -10.830 -11.156 1.00 0.00 C ATOM 388 C GLU A 26 -11.917 -10.310 -9.758 1.00 0.00 C ATOM 389 O GLU A 26 -12.679 -9.576 -9.162 1.00 0.00 O ATOM 390 CB GLU A 26 -10.999 -11.056 -11.969 1.00 0.00 C ATOM 391 CG GLU A 26 -10.497 -12.457 -11.720 1.00 0.00 C ATOM 392 CD GLU A 26 -10.239 -13.162 -13.054 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.201 -13.591 -13.670 1.00 0.00 O ATOM 394 OE2 GLU A 26 -9.086 -13.254 -13.440 1.00 0.00 O ATOM 0 H GLU A 26 -12.581 -8.894 -11.917 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.814 -11.764 -11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.204 -10.913 -13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.237 -10.328 -11.690 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.580 -12.425 -11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.229 -13.017 -11.138 1.00 0.00 H new ATOM 401 N TYR A 27 -10.775 -10.659 -9.230 1.00 0.00 N ATOM 402 CA TYR A 27 -10.398 -10.160 -7.894 1.00 0.00 C ATOM 403 C TYR A 27 -8.895 -10.360 -7.743 1.00 0.00 C ATOM 404 O TYR A 27 -8.253 -10.876 -8.640 1.00 0.00 O ATOM 405 CB TYR A 27 -11.180 -10.921 -6.815 1.00 0.00 C ATOM 406 CG TYR A 27 -10.691 -12.352 -6.720 1.00 0.00 C ATOM 407 CD1 TYR A 27 -11.204 -13.330 -7.601 1.00 0.00 C ATOM 408 CD2 TYR A 27 -9.712 -12.705 -5.764 1.00 0.00 C ATOM 409 CE1 TYR A 27 -10.740 -14.663 -7.524 1.00 0.00 C ATOM 410 CE2 TYR A 27 -9.247 -14.037 -5.689 1.00 0.00 C ATOM 411 CZ TYR A 27 -9.762 -15.016 -6.569 1.00 0.00 C ATOM 412 OH TYR A 27 -9.308 -16.318 -6.495 1.00 0.00 O ATOM 0 H TYR A 27 -10.090 -11.271 -9.675 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.640 -9.103 -7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.061 -10.424 -5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.244 -10.908 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.950 -13.059 -8.333 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.319 -11.957 -5.091 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.134 -15.411 -8.196 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.498 -14.307 -4.959 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.636 -16.390 -5.785 1.00 0.00 H new ATOM 422 N PHE A 28 -8.311 -9.964 -6.649 1.00 0.00 N ATOM 423 CA PHE A 28 -6.847 -10.159 -6.526 1.00 0.00 C ATOM 424 C PHE A 28 -6.428 -10.124 -5.055 1.00 0.00 C ATOM 425 O PHE A 28 -6.129 -9.081 -4.512 1.00 0.00 O ATOM 426 CB PHE A 28 -6.126 -9.050 -7.305 1.00 0.00 C ATOM 427 CG PHE A 28 -4.632 -9.163 -7.106 1.00 0.00 C ATOM 428 CD1 PHE A 28 -3.864 -9.982 -7.963 1.00 0.00 C ATOM 429 CD2 PHE A 28 -4.005 -8.454 -6.058 1.00 0.00 C ATOM 430 CE1 PHE A 28 -2.468 -10.089 -7.773 1.00 0.00 C ATOM 431 CE2 PHE A 28 -2.611 -8.564 -5.866 1.00 0.00 C ATOM 432 CZ PHE A 28 -1.841 -9.381 -6.724 1.00 0.00 C ATOM 0 H PHE A 28 -8.773 -9.524 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.576 -11.131 -6.937 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.366 -9.125 -8.366 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.473 -8.073 -6.968 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.344 -10.526 -8.763 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.592 -7.827 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.880 -10.713 -8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.133 -8.023 -5.063 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.774 -9.464 -6.578 1.00 0.00 H new ATOM 442 N TYR A 29 -6.392 -11.254 -4.409 1.00 0.00 N ATOM 443 CA TYR A 29 -5.981 -11.270 -2.980 1.00 0.00 C ATOM 444 C TYR A 29 -4.589 -10.657 -2.851 1.00 0.00 C ATOM 445 O TYR A 29 -3.667 -11.012 -3.559 1.00 0.00 O ATOM 446 CB TYR A 29 -5.960 -12.707 -2.463 1.00 0.00 C ATOM 447 CG TYR A 29 -5.452 -12.740 -1.040 1.00 0.00 C ATOM 448 CD1 TYR A 29 -6.174 -12.089 -0.015 1.00 0.00 C ATOM 449 CD2 TYR A 29 -4.250 -13.417 -0.737 1.00 0.00 C ATOM 450 CE1 TYR A 29 -5.695 -12.115 1.313 1.00 0.00 C ATOM 451 CE2 TYR A 29 -3.770 -13.443 0.592 1.00 0.00 C ATOM 452 CZ TYR A 29 -4.493 -12.792 1.617 1.00 0.00 C ATOM 453 OH TYR A 29 -4.024 -12.818 2.915 1.00 0.00 O ATOM 0 H TYR A 29 -6.628 -12.163 -4.806 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.692 -10.691 -2.391 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.962 -13.133 -2.509 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.323 -13.321 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.093 -11.571 -0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.698 -13.915 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.248 -11.617 2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.851 -13.960 0.824 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.187 -13.326 2.950 1.00 0.00 H new ATOM 463 N THR A 30 -4.438 -9.742 -1.945 1.00 0.00 N ATOM 464 CA THR A 30 -3.112 -9.091 -1.746 1.00 0.00 C ATOM 465 C THR A 30 -2.054 -10.167 -1.487 1.00 0.00 C ATOM 466 O THR A 30 -2.364 -11.330 -1.324 1.00 0.00 O ATOM 467 CB THR A 30 -3.181 -8.146 -0.544 1.00 0.00 C ATOM 468 OG1 THR A 30 -4.444 -7.497 -0.526 1.00 0.00 O ATOM 469 CG2 THR A 30 -2.071 -7.100 -0.656 1.00 0.00 C ATOM 0 H THR A 30 -5.178 -9.411 -1.327 1.00 0.00 H new ATOM 0 HA THR A 30 -2.847 -8.524 -2.638 1.00 0.00 H new ATOM 0 HB THR A 30 -3.052 -8.716 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.434 -6.781 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.119 -6.426 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.102 -7.598 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.200 -6.529 -1.575 1.00 0.00 H new ATOM 477 N SER A 31 -0.805 -9.790 -1.448 1.00 0.00 N ATOM 478 CA SER A 31 0.269 -10.793 -1.201 1.00 0.00 C ATOM 479 C SER A 31 0.496 -10.940 0.306 1.00 0.00 C ATOM 480 O SER A 31 -0.370 -10.643 1.105 1.00 0.00 O ATOM 481 CB SER A 31 1.565 -10.329 -1.869 1.00 0.00 C ATOM 482 OG SER A 31 2.376 -11.456 -2.165 1.00 0.00 O ATOM 0 H SER A 31 -0.482 -8.831 -1.576 1.00 0.00 H new ATOM 0 HA SER A 31 -0.031 -11.754 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.339 -9.780 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.101 -9.645 -1.211 1.00 0.00 H new ATOM 0 HG SER A 31 3.205 -11.159 -2.594 1.00 0.00 H new ATOM 488 N GLY A 32 1.654 -11.395 0.700 1.00 0.00 N ATOM 489 CA GLY A 32 1.933 -11.559 2.155 1.00 0.00 C ATOM 490 C GLY A 32 3.066 -10.616 2.571 1.00 0.00 C ATOM 491 O GLY A 32 3.723 -10.824 3.571 1.00 0.00 O ATOM 0 H GLY A 32 2.418 -11.660 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.035 -11.343 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.209 -12.592 2.368 1.00 0.00 H new ATOM 495 N LYS A 33 3.299 -9.580 1.811 1.00 0.00 N ATOM 496 CA LYS A 33 4.388 -8.625 2.168 1.00 0.00 C ATOM 497 C LYS A 33 3.829 -7.203 2.163 1.00 0.00 C ATOM 498 O LYS A 33 4.175 -6.393 1.327 1.00 0.00 O ATOM 499 CB LYS A 33 5.524 -8.728 1.145 1.00 0.00 C ATOM 500 CG LYS A 33 5.792 -10.198 0.817 1.00 0.00 C ATOM 501 CD LYS A 33 6.983 -10.304 -0.139 1.00 0.00 C ATOM 502 CE LYS A 33 6.538 -9.936 -1.556 1.00 0.00 C ATOM 503 NZ LYS A 33 7.216 -10.830 -2.537 1.00 0.00 N ATOM 0 H LYS A 33 2.784 -9.354 0.960 1.00 0.00 H new ATOM 0 HA LYS A 33 4.774 -8.868 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.259 -8.186 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.427 -8.264 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.997 -10.753 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.908 -10.647 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.783 -9.639 0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.385 -11.317 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.456 -10.034 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.783 -8.895 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.914 -10.581 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.247 -10.715 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.961 -11.819 -2.339 1.00 0.00 H new ATOM 517 N CYS A 34 2.959 -6.898 3.086 1.00 0.00 N ATOM 518 CA CYS A 34 2.371 -5.530 3.128 1.00 0.00 C ATOM 519 C CYS A 34 1.698 -5.297 4.483 1.00 0.00 C ATOM 520 O CYS A 34 1.588 -6.194 5.296 1.00 0.00 O ATOM 521 CB CYS A 34 1.328 -5.398 2.019 1.00 0.00 C ATOM 522 SG CYS A 34 2.077 -4.622 0.567 1.00 0.00 S ATOM 0 H CYS A 34 2.631 -7.535 3.811 1.00 0.00 H new ATOM 0 HA CYS A 34 3.161 -4.792 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.936 -6.381 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.485 -4.801 2.368 1.00 0.00 H new ATOM 527 N SER A 35 1.243 -4.098 4.730 1.00 0.00 N ATOM 528 CA SER A 35 0.571 -3.805 6.028 1.00 0.00 C ATOM 529 C SER A 35 -0.925 -3.561 5.791 1.00 0.00 C ATOM 530 O SER A 35 -1.612 -3.014 6.631 1.00 0.00 O ATOM 531 CB SER A 35 1.197 -2.556 6.654 1.00 0.00 C ATOM 532 OG SER A 35 1.373 -2.763 8.047 1.00 0.00 O ATOM 0 H SER A 35 1.308 -3.308 4.088 1.00 0.00 H new ATOM 0 HA SER A 35 0.697 -4.654 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.156 -2.342 6.183 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.557 -1.690 6.482 1.00 0.00 H new ATOM 0 HG SER A 35 1.775 -1.964 8.448 1.00 0.00 H new ATOM 538 N ASN A 36 -1.434 -3.964 4.658 1.00 0.00 N ATOM 539 CA ASN A 36 -2.881 -3.759 4.368 1.00 0.00 C ATOM 540 C ASN A 36 -3.433 -5.007 3.667 1.00 0.00 C ATOM 541 O ASN A 36 -3.889 -4.924 2.544 1.00 0.00 O ATOM 542 CB ASN A 36 -3.054 -2.542 3.458 1.00 0.00 C ATOM 543 CG ASN A 36 -4.306 -1.766 3.874 1.00 0.00 C ATOM 544 OD1 ASN A 36 -5.395 -2.059 3.423 1.00 0.00 O ATOM 545 ND2 ASN A 36 -4.195 -0.778 4.720 1.00 0.00 N ATOM 0 H ASN A 36 -0.907 -4.428 3.918 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.422 -3.590 5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.176 -1.899 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.139 -2.861 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.023 -0.253 5.002 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.281 -0.531 5.099 1.00 0.00 H new ATOM 552 N PRO A 37 -3.380 -6.134 4.346 1.00 0.00 N ATOM 553 CA PRO A 37 -3.881 -7.396 3.780 1.00 0.00 C ATOM 554 C PRO A 37 -5.342 -7.225 3.371 1.00 0.00 C ATOM 555 O PRO A 37 -6.123 -6.617 4.075 1.00 0.00 O ATOM 556 CB PRO A 37 -3.745 -8.421 4.916 1.00 0.00 C ATOM 557 CG PRO A 37 -3.060 -7.710 6.112 1.00 0.00 C ATOM 558 CD PRO A 37 -2.832 -6.244 5.717 1.00 0.00 C ATOM 0 HA PRO A 37 -3.333 -7.710 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.724 -8.802 5.207 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.154 -9.277 4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.685 -7.773 7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.113 -8.193 6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.340 -5.566 6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.773 -5.987 5.742 1.00 0.00 H new ATOM 566 N ALA A 38 -5.715 -7.736 2.232 1.00 0.00 N ATOM 567 CA ALA A 38 -7.123 -7.573 1.785 1.00 0.00 C ATOM 568 C ALA A 38 -7.343 -8.337 0.479 1.00 0.00 C ATOM 569 O ALA A 38 -6.686 -9.321 0.204 1.00 0.00 O ATOM 570 CB ALA A 38 -7.397 -6.079 1.574 1.00 0.00 C ATOM 0 H ALA A 38 -5.110 -8.256 1.596 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.804 -7.971 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.427 -5.941 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.240 -5.544 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.719 -5.688 0.816 1.00 0.00 H new ATOM 576 N VAL A 39 -8.248 -7.878 -0.336 1.00 0.00 N ATOM 577 CA VAL A 39 -8.509 -8.538 -1.626 1.00 0.00 C ATOM 578 C VAL A 39 -8.768 -7.400 -2.587 1.00 0.00 C ATOM 579 O VAL A 39 -9.167 -6.327 -2.171 1.00 0.00 O ATOM 580 CB VAL A 39 -9.708 -9.510 -1.487 1.00 0.00 C ATOM 581 CG1 VAL A 39 -10.976 -8.983 -2.179 1.00 0.00 C ATOM 582 CG2 VAL A 39 -9.333 -10.865 -2.087 1.00 0.00 C ATOM 0 H VAL A 39 -8.825 -7.057 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.684 -9.155 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.930 -9.605 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.786 -9.702 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.264 -8.030 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.779 -8.843 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.175 -11.551 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.085 -10.740 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.471 -11.271 -1.558 1.00 0.00 H new ATOM 592 N VAL A 40 -8.514 -7.581 -3.836 1.00 0.00 N ATOM 593 CA VAL A 40 -8.723 -6.442 -4.756 1.00 0.00 C ATOM 594 C VAL A 40 -9.597 -6.830 -5.931 1.00 0.00 C ATOM 595 O VAL A 40 -9.244 -7.643 -6.757 1.00 0.00 O ATOM 596 CB VAL A 40 -7.362 -5.937 -5.216 1.00 0.00 C ATOM 597 CG1 VAL A 40 -7.513 -4.875 -6.302 1.00 0.00 C ATOM 598 CG2 VAL A 40 -6.676 -5.310 -4.014 1.00 0.00 C ATOM 0 H VAL A 40 -8.178 -8.446 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.249 -5.644 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.784 -6.766 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.527 -4.530 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.036 -5.302 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.085 -4.033 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.695 -4.937 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.281 -4.484 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.559 -6.059 -3.230 1.00 0.00 H new ATOM 608 N PHE A 41 -10.740 -6.225 -6.016 1.00 0.00 N ATOM 609 CA PHE A 41 -11.643 -6.538 -7.130 1.00 0.00 C ATOM 610 C PHE A 41 -11.258 -5.741 -8.358 1.00 0.00 C ATOM 611 O PHE A 41 -10.967 -4.567 -8.298 1.00 0.00 O ATOM 612 CB PHE A 41 -13.087 -6.208 -6.741 1.00 0.00 C ATOM 613 CG PHE A 41 -13.607 -7.237 -5.768 1.00 0.00 C ATOM 614 CD1 PHE A 41 -13.687 -8.596 -6.149 1.00 0.00 C ATOM 615 CD2 PHE A 41 -14.047 -6.835 -4.487 1.00 0.00 C ATOM 616 CE1 PHE A 41 -14.203 -9.552 -5.246 1.00 0.00 C ATOM 617 CE2 PHE A 41 -14.570 -7.790 -3.588 1.00 0.00 C ATOM 618 CZ PHE A 41 -14.648 -9.149 -3.967 1.00 0.00 C ATOM 0 H PHE A 41 -11.083 -5.526 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.561 -7.601 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -13.134 -5.215 -6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -13.716 -6.186 -7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.354 -8.903 -7.129 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.983 -5.797 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -14.257 -10.592 -5.533 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -14.910 -7.482 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 41 -15.048 -9.879 -3.279 1.00 0.00 H new ATOM 628 N VAL A 42 -11.291 -6.386 -9.475 1.00 0.00 N ATOM 629 CA VAL A 42 -10.975 -5.707 -10.754 1.00 0.00 C ATOM 630 C VAL A 42 -12.319 -5.570 -11.485 1.00 0.00 C ATOM 631 O VAL A 42 -12.616 -6.300 -12.407 1.00 0.00 O ATOM 632 CB VAL A 42 -10.011 -6.546 -11.600 1.00 0.00 C ATOM 633 CG1 VAL A 42 -8.605 -5.958 -11.487 1.00 0.00 C ATOM 634 CG2 VAL A 42 -9.981 -8.009 -11.146 1.00 0.00 C ATOM 0 H VAL A 42 -11.528 -7.374 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.493 -4.745 -10.581 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.359 -6.521 -12.633 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.914 -6.550 -12.087 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.610 -4.930 -11.849 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.287 -5.974 -10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.286 -8.570 -11.771 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.657 -8.061 -10.106 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.979 -8.439 -11.237 1.00 0.00 H new ATOM 644 N THR A 43 -13.160 -4.686 -11.021 1.00 0.00 N ATOM 645 CA THR A 43 -14.533 -4.542 -11.613 1.00 0.00 C ATOM 646 C THR A 43 -14.515 -4.079 -13.066 1.00 0.00 C ATOM 647 O THR A 43 -13.528 -4.195 -13.763 1.00 0.00 O ATOM 648 CB THR A 43 -15.351 -3.552 -10.774 1.00 0.00 C ATOM 649 OG1 THR A 43 -14.955 -2.225 -11.087 1.00 0.00 O ATOM 650 CG2 THR A 43 -15.117 -3.817 -9.283 1.00 0.00 C ATOM 0 H THR A 43 -12.958 -4.049 -10.250 1.00 0.00 H new ATOM 0 HA THR A 43 -14.989 -5.532 -11.599 1.00 0.00 H new ATOM 0 HB THR A 43 -16.410 -3.680 -11.000 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.479 -1.593 -10.552 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.700 -3.111 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 43 -15.425 -4.834 -9.041 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.059 -3.695 -9.053 1.00 0.00 H new ATOM 658 N ARG A 44 -15.642 -3.584 -13.530 1.00 0.00 N ATOM 659 CA ARG A 44 -15.753 -3.133 -14.947 1.00 0.00 C ATOM 660 C ARG A 44 -14.560 -2.251 -15.307 1.00 0.00 C ATOM 661 O ARG A 44 -13.757 -2.606 -16.147 1.00 0.00 O ATOM 662 CB ARG A 44 -17.065 -2.365 -15.165 1.00 0.00 C ATOM 663 CG ARG A 44 -17.368 -1.460 -13.964 1.00 0.00 C ATOM 664 CD ARG A 44 -18.748 -1.806 -13.401 1.00 0.00 C ATOM 665 NE ARG A 44 -18.920 -1.148 -12.076 1.00 0.00 N ATOM 666 CZ ARG A 44 -18.963 0.154 -11.995 1.00 0.00 C ATOM 667 NH1 ARG A 44 -17.869 0.852 -12.122 1.00 0.00 N ATOM 668 NH2 ARG A 44 -20.103 0.758 -11.790 1.00 0.00 N ATOM 0 H ARG A 44 -16.493 -3.475 -12.978 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.755 -4.010 -15.594 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -16.994 -1.764 -16.071 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -17.884 -3.069 -15.313 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.606 -1.591 -13.195 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.339 -0.413 -14.267 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.527 -1.475 -14.088 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -18.851 -2.886 -13.299 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.004 -1.715 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.979 0.381 -12.285 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.903 1.869 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.959 0.212 -11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.137 1.775 -11.727 1.00 0.00 H new ATOM 682 N LYS A 45 -14.394 -1.127 -14.651 1.00 0.00 N ATOM 683 CA LYS A 45 -13.198 -0.279 -14.947 1.00 0.00 C ATOM 684 C LYS A 45 -11.978 -1.181 -14.767 1.00 0.00 C ATOM 685 O LYS A 45 -10.982 -1.078 -15.454 1.00 0.00 O ATOM 686 CB LYS A 45 -13.132 0.896 -13.971 1.00 0.00 C ATOM 687 CG LYS A 45 -13.816 2.115 -14.592 1.00 0.00 C ATOM 688 CD LYS A 45 -13.640 3.324 -13.671 1.00 0.00 C ATOM 689 CE LYS A 45 -14.577 4.447 -14.119 1.00 0.00 C ATOM 690 NZ LYS A 45 -13.908 5.762 -13.915 1.00 0.00 N ATOM 0 H LYS A 45 -15.024 -0.765 -13.935 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.242 0.132 -15.956 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.620 0.631 -13.033 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.094 1.129 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.388 2.326 -15.572 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.876 1.912 -14.745 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.857 3.044 -12.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.606 3.667 -13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.839 4.319 -15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.507 4.408 -13.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.544 6.526 -14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.679 5.883 -12.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.033 5.797 -14.475 1.00 0.00 H new ATOM 704 N ASN A 46 -12.109 -2.108 -13.858 1.00 0.00 N ATOM 705 CA ASN A 46 -11.050 -3.106 -13.595 1.00 0.00 C ATOM 706 C ASN A 46 -9.885 -2.502 -12.865 1.00 0.00 C ATOM 707 O ASN A 46 -8.868 -3.147 -12.690 1.00 0.00 O ATOM 708 CB ASN A 46 -10.576 -3.724 -14.911 1.00 0.00 C ATOM 709 CG ASN A 46 -10.770 -5.241 -14.870 1.00 0.00 C ATOM 710 OD1 ASN A 46 -11.861 -5.720 -14.640 1.00 0.00 O ATOM 711 ND2 ASN A 46 -9.748 -6.023 -15.091 1.00 0.00 N ATOM 0 H ASN A 46 -12.937 -2.212 -13.271 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.476 -3.882 -12.959 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.135 -3.299 -15.745 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.525 -3.487 -15.077 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.867 -7.036 -15.070 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.831 -5.621 -15.284 1.00 0.00 H new ATOM 718 N ARG A 47 -10.024 -1.313 -12.347 1.00 0.00 N ATOM 719 CA ARG A 47 -8.907 -0.769 -11.533 1.00 0.00 C ATOM 720 C ARG A 47 -8.737 -1.781 -10.414 1.00 0.00 C ATOM 721 O ARG A 47 -9.588 -2.635 -10.247 1.00 0.00 O ATOM 722 CB ARG A 47 -9.271 0.601 -10.962 1.00 0.00 C ATOM 723 CG ARG A 47 -8.176 1.609 -11.318 1.00 0.00 C ATOM 724 CD ARG A 47 -8.348 2.871 -10.472 1.00 0.00 C ATOM 725 NE ARG A 47 -8.936 3.955 -11.309 1.00 0.00 N ATOM 726 CZ ARG A 47 -8.172 4.895 -11.792 1.00 0.00 C ATOM 727 NH1 ARG A 47 -7.816 5.899 -11.039 1.00 0.00 N ATOM 728 NH2 ARG A 47 -7.764 4.832 -13.031 1.00 0.00 N ATOM 0 H ARG A 47 -10.840 -0.710 -12.449 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.997 -0.628 -12.116 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.229 0.931 -11.364 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.384 0.538 -9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.193 1.172 -11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.228 1.859 -12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.995 2.664 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.385 3.188 -10.072 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.937 3.962 -11.504 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.135 5.949 -10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.218 6.634 -11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.043 4.048 -13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.166 5.567 -13.409 1.00 0.00 H new ATOM 742 N GLN A 48 -7.685 -1.751 -9.670 1.00 0.00 N ATOM 743 CA GLN A 48 -7.572 -2.779 -8.624 1.00 0.00 C ATOM 744 C GLN A 48 -8.239 -2.253 -7.374 1.00 0.00 C ATOM 745 O GLN A 48 -7.618 -1.825 -6.427 1.00 0.00 O ATOM 746 CB GLN A 48 -6.121 -3.173 -8.423 1.00 0.00 C ATOM 747 CG GLN A 48 -5.877 -4.396 -9.310 1.00 0.00 C ATOM 748 CD GLN A 48 -4.418 -4.841 -9.201 1.00 0.00 C ATOM 749 OE1 GLN A 48 -3.780 -4.676 -8.075 1.00 0.00 O flip ATOM 750 NE2 GLN A 48 -3.852 -5.346 -10.152 1.00 0.00 N flip ATOM 0 H GLN A 48 -6.919 -1.081 -9.735 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.083 -3.697 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.455 -2.355 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.924 -3.407 -7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.537 -5.210 -9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.116 -4.157 -10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.351 -5.475 -11.032 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.879 -5.640 -10.069 1.00 0.00 H new ATOM 759 N VAL A 49 -9.534 -2.289 -7.414 1.00 0.00 N ATOM 760 CA VAL A 49 -10.372 -1.795 -6.298 1.00 0.00 C ATOM 761 C VAL A 49 -10.111 -2.647 -5.056 1.00 0.00 C ATOM 762 O VAL A 49 -9.648 -3.763 -5.147 1.00 0.00 O ATOM 763 CB VAL A 49 -11.862 -1.889 -6.677 1.00 0.00 C ATOM 764 CG1 VAL A 49 -12.601 -0.733 -6.011 1.00 0.00 C ATOM 765 CG2 VAL A 49 -12.076 -1.804 -8.213 1.00 0.00 C ATOM 0 H VAL A 49 -10.065 -2.654 -8.204 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.120 -0.754 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.243 -2.853 -6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.659 -0.782 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.486 -0.803 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.186 0.213 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.141 -1.874 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.690 -0.854 -8.582 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.548 -2.624 -8.700 1.00 0.00 H new ATOM 775 N CYS A 50 -10.401 -2.133 -3.896 1.00 0.00 N ATOM 776 CA CYS A 50 -10.165 -2.915 -2.655 1.00 0.00 C ATOM 777 C CYS A 50 -11.503 -3.293 -2.023 1.00 0.00 C ATOM 778 O CYS A 50 -12.540 -2.792 -2.413 1.00 0.00 O ATOM 779 CB CYS A 50 -9.386 -2.050 -1.667 1.00 0.00 C ATOM 780 SG CYS A 50 -8.557 -3.104 -0.460 1.00 0.00 S ATOM 0 H CYS A 50 -10.793 -1.202 -3.754 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.604 -3.818 -2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.653 -1.443 -2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -10.062 -1.361 -1.160 1.00 0.00 H new ATOM 785 N ALA A 51 -11.501 -4.164 -1.045 1.00 0.00 N ATOM 786 CA ALA A 51 -12.792 -4.535 -0.409 1.00 0.00 C ATOM 787 C ALA A 51 -12.581 -5.327 0.881 1.00 0.00 C ATOM 788 O ALA A 51 -13.455 -6.044 1.311 1.00 0.00 O ATOM 789 CB ALA A 51 -13.612 -5.365 -1.393 1.00 0.00 C ATOM 0 H ALA A 51 -10.673 -4.625 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 51 -13.322 -3.618 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.561 -5.641 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.801 -4.780 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.060 -6.267 -1.656 1.00 0.00 H new ATOM 795 N ASN A 52 -11.457 -5.171 1.530 1.00 0.00 N ATOM 796 CA ASN A 52 -11.238 -5.888 2.824 1.00 0.00 C ATOM 797 C ASN A 52 -11.184 -7.412 2.610 1.00 0.00 C ATOM 798 O ASN A 52 -11.926 -7.938 1.804 1.00 0.00 O ATOM 799 CB ASN A 52 -12.407 -5.565 3.753 1.00 0.00 C ATOM 800 CG ASN A 52 -12.088 -6.029 5.175 1.00 0.00 C ATOM 801 OD1 ASN A 52 -12.561 -7.060 5.611 1.00 0.00 O ATOM 802 ND2 ASN A 52 -11.300 -5.306 5.924 1.00 0.00 N ATOM 0 H ASN A 52 -10.684 -4.581 1.223 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.289 -5.565 3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.602 -4.493 3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.312 -6.056 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.082 -5.607 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.902 -4.440 5.559 1.00 0.00 H new ATOM 809 N PRO A 53 -10.314 -8.088 3.345 1.00 0.00 N ATOM 810 CA PRO A 53 -10.176 -9.551 3.239 1.00 0.00 C ATOM 811 C PRO A 53 -11.274 -10.268 4.034 1.00 0.00 C ATOM 812 O PRO A 53 -12.084 -10.989 3.487 1.00 0.00 O ATOM 813 CB PRO A 53 -8.823 -9.849 3.894 1.00 0.00 C ATOM 814 CG PRO A 53 -8.434 -8.601 4.726 1.00 0.00 C ATOM 815 CD PRO A 53 -9.385 -7.464 4.317 1.00 0.00 C ATOM 0 HA PRO A 53 -10.250 -9.887 2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.890 -10.731 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.067 -10.058 3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.519 -8.808 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.397 -8.321 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.921 -7.066 5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.840 -6.633 3.868 1.00 0.00 H new ATOM 823 N GLU A 54 -11.279 -10.095 5.333 1.00 0.00 N ATOM 824 CA GLU A 54 -12.291 -10.788 6.188 1.00 0.00 C ATOM 825 C GLU A 54 -13.594 -9.987 6.263 1.00 0.00 C ATOM 826 O GLU A 54 -14.181 -9.843 7.317 1.00 0.00 O ATOM 827 CB GLU A 54 -11.724 -10.952 7.600 1.00 0.00 C ATOM 828 CG GLU A 54 -12.407 -12.134 8.292 1.00 0.00 C ATOM 829 CD GLU A 54 -13.517 -11.617 9.209 1.00 0.00 C ATOM 830 OE1 GLU A 54 -13.203 -10.884 10.133 1.00 0.00 O ATOM 831 OE2 GLU A 54 -14.663 -11.964 8.973 1.00 0.00 O ATOM 0 H GLU A 54 -10.623 -9.501 5.840 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.508 -11.760 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.648 -11.117 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.882 -10.040 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.822 -12.814 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.678 -12.701 8.870 1.00 0.00 H new ATOM 838 N LYS A 55 -14.069 -9.484 5.159 1.00 0.00 N ATOM 839 CA LYS A 55 -15.350 -8.721 5.184 1.00 0.00 C ATOM 840 C LYS A 55 -16.508 -9.671 4.847 1.00 0.00 C ATOM 841 O LYS A 55 -17.588 -9.243 4.495 1.00 0.00 O ATOM 842 CB LYS A 55 -15.301 -7.587 4.158 1.00 0.00 C ATOM 843 CG LYS A 55 -15.415 -6.239 4.874 1.00 0.00 C ATOM 844 CD LYS A 55 -15.634 -5.130 3.842 1.00 0.00 C ATOM 845 CE LYS A 55 -16.472 -4.012 4.463 1.00 0.00 C ATOM 846 NZ LYS A 55 -15.584 -2.873 4.827 1.00 0.00 N ATOM 0 H LYS A 55 -13.629 -9.567 4.243 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.500 -8.295 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.369 -7.633 3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.113 -7.698 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.243 -6.260 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.510 -6.042 5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.674 -4.736 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.138 -5.531 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.236 -3.681 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.991 -4.380 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.152 -2.111 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.871 -3.194 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.108 -2.517 3.973 1.00 0.00 H new ATOM 860 N LYS A 56 -16.286 -10.959 4.965 1.00 0.00 N ATOM 861 CA LYS A 56 -17.363 -11.953 4.669 1.00 0.00 C ATOM 862 C LYS A 56 -17.768 -11.893 3.188 1.00 0.00 C ATOM 863 O LYS A 56 -17.265 -12.636 2.369 1.00 0.00 O ATOM 864 CB LYS A 56 -18.582 -11.665 5.550 1.00 0.00 C ATOM 865 CG LYS A 56 -18.519 -12.531 6.809 1.00 0.00 C ATOM 866 CD LYS A 56 -18.714 -11.649 8.044 1.00 0.00 C ATOM 867 CE LYS A 56 -18.402 -12.458 9.304 1.00 0.00 C ATOM 868 NZ LYS A 56 -17.605 -11.624 10.247 1.00 0.00 N ATOM 0 H LYS A 56 -15.397 -11.366 5.256 1.00 0.00 H new ATOM 0 HA LYS A 56 -16.983 -12.952 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -18.606 -10.610 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -19.499 -11.872 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.290 -13.301 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.559 -13.044 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.062 -10.777 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -19.738 -11.279 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.328 -12.780 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.848 -13.359 9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.692 -12.009 11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.606 -11.633 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.961 -10.647 10.232 1.00 0.00 H new ATOM 882 N TRP A 57 -18.690 -11.034 2.845 1.00 0.00 N ATOM 883 CA TRP A 57 -19.152 -10.937 1.428 1.00 0.00 C ATOM 884 C TRP A 57 -17.962 -10.900 0.453 1.00 0.00 C ATOM 885 O TRP A 57 -18.089 -11.274 -0.694 1.00 0.00 O ATOM 886 CB TRP A 57 -20.013 -9.679 1.276 1.00 0.00 C ATOM 887 CG TRP A 57 -19.174 -8.476 1.445 1.00 0.00 C ATOM 888 CD1 TRP A 57 -19.140 -7.660 2.519 1.00 0.00 C ATOM 889 CD2 TRP A 57 -18.337 -7.888 0.450 1.00 0.00 C ATOM 890 NE1 TRP A 57 -18.276 -6.612 2.248 1.00 0.00 N ATOM 891 CE2 TRP A 57 -17.759 -6.705 0.971 1.00 0.00 C ATOM 892 CE3 TRP A 57 -18.026 -8.281 -0.863 1.00 0.00 C ATOM 893 CZ2 TRP A 57 -16.889 -5.922 0.196 1.00 0.00 C ATOM 894 CZ3 TRP A 57 -17.182 -7.500 -1.654 1.00 0.00 C ATOM 895 CH2 TRP A 57 -16.614 -6.316 -1.132 1.00 0.00 C ATOM 0 H TRP A 57 -19.147 -10.390 3.490 1.00 0.00 H new ATOM 0 HA TRP A 57 -19.742 -11.821 1.183 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -20.487 -9.668 0.295 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -20.813 -9.683 2.016 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -19.693 -7.800 3.436 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -18.051 -5.867 2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -18.443 -9.194 -1.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.437 -5.032 0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -16.962 -7.801 -2.668 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.968 -5.711 -1.750 1.00 0.00 H new ATOM 906 N VAL A 58 -16.814 -10.464 0.888 1.00 0.00 N ATOM 907 CA VAL A 58 -15.641 -10.424 -0.052 1.00 0.00 C ATOM 908 C VAL A 58 -15.188 -11.844 -0.376 1.00 0.00 C ATOM 909 O VAL A 58 -14.928 -12.170 -1.512 1.00 0.00 O ATOM 910 CB VAL A 58 -14.446 -9.677 0.545 1.00 0.00 C ATOM 911 CG1 VAL A 58 -14.527 -8.203 0.178 1.00 0.00 C ATOM 912 CG2 VAL A 58 -14.399 -9.835 2.054 1.00 0.00 C ATOM 0 H VAL A 58 -16.630 -10.137 1.836 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.973 -9.900 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.533 -10.106 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.675 -7.674 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -14.514 -8.097 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -15.451 -7.780 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.540 -9.294 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.313 -9.433 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.310 -10.892 2.307 1.00 0.00 H new ATOM 922 N ARG A 59 -15.076 -12.684 0.614 1.00 0.00 N ATOM 923 CA ARG A 59 -14.638 -14.081 0.354 1.00 0.00 C ATOM 924 C ARG A 59 -15.731 -14.782 -0.448 1.00 0.00 C ATOM 925 O ARG A 59 -15.465 -15.605 -1.302 1.00 0.00 O ATOM 926 CB ARG A 59 -14.423 -14.812 1.681 1.00 0.00 C ATOM 927 CG ARG A 59 -12.985 -14.592 2.156 1.00 0.00 C ATOM 928 CD ARG A 59 -12.916 -14.777 3.673 1.00 0.00 C ATOM 929 NE ARG A 59 -11.491 -14.767 4.109 1.00 0.00 N ATOM 930 CZ ARG A 59 -11.150 -15.324 5.239 1.00 0.00 C ATOM 931 NH1 ARG A 59 -11.518 -16.548 5.500 1.00 0.00 N ATOM 932 NH2 ARG A 59 -10.443 -14.656 6.109 1.00 0.00 N ATOM 0 H ARG A 59 -15.269 -12.463 1.591 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.701 -14.084 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.125 -14.444 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.618 -15.877 1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.316 -15.296 1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.650 -13.591 1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.466 -13.980 4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.388 -15.717 3.958 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.782 -14.325 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.072 -17.070 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.252 -16.983 6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.157 -13.698 5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.177 -15.092 6.992 1.00 0.00 H new ATOM 946 N GLU A 60 -16.963 -14.435 -0.194 1.00 0.00 N ATOM 947 CA GLU A 60 -18.087 -15.050 -0.956 1.00 0.00 C ATOM 948 C GLU A 60 -18.034 -14.546 -2.402 1.00 0.00 C ATOM 949 O GLU A 60 -18.649 -15.098 -3.292 1.00 0.00 O ATOM 950 CB GLU A 60 -19.419 -14.645 -0.323 1.00 0.00 C ATOM 951 CG GLU A 60 -19.796 -15.649 0.768 1.00 0.00 C ATOM 952 CD GLU A 60 -21.234 -16.124 0.551 1.00 0.00 C ATOM 953 OE1 GLU A 60 -22.139 -15.425 0.976 1.00 0.00 O ATOM 954 OE2 GLU A 60 -21.406 -17.179 -0.037 1.00 0.00 O ATOM 0 H GLU A 60 -17.240 -13.751 0.510 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.998 -16.136 -0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.342 -13.644 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -20.199 -14.610 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.114 -16.499 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -19.699 -15.188 1.751 1.00 0.00 H new ATOM 961 N TYR A 61 -17.288 -13.498 -2.636 1.00 0.00 N ATOM 962 CA TYR A 61 -17.163 -12.941 -4.006 1.00 0.00 C ATOM 963 C TYR A 61 -15.959 -13.595 -4.676 1.00 0.00 C ATOM 964 O TYR A 61 -15.924 -13.793 -5.875 1.00 0.00 O ATOM 965 CB TYR A 61 -16.932 -11.431 -3.903 1.00 0.00 C ATOM 966 CG TYR A 61 -18.232 -10.699 -4.129 1.00 0.00 C ATOM 967 CD1 TYR A 61 -19.326 -10.928 -3.266 1.00 0.00 C ATOM 968 CD2 TYR A 61 -18.338 -9.747 -5.166 1.00 0.00 C ATOM 969 CE1 TYR A 61 -20.526 -10.206 -3.439 1.00 0.00 C ATOM 970 CE2 TYR A 61 -19.542 -9.031 -5.346 1.00 0.00 C ATOM 971 CZ TYR A 61 -20.635 -9.258 -4.480 1.00 0.00 C ATOM 972 OH TYR A 61 -21.807 -8.549 -4.646 1.00 0.00 O ATOM 0 H TYR A 61 -16.755 -13.001 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 61 -18.065 -13.133 -4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -16.529 -11.181 -2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -16.193 -11.116 -4.640 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -19.244 -11.656 -2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -17.499 -9.566 -5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -21.361 -10.378 -2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -19.627 -8.310 -6.146 1.00 0.00 H new ATOM 0 HH TYR A 61 -21.609 -7.589 -4.661 1.00 0.00 H new ATOM 982 N ILE A 62 -14.972 -13.936 -3.896 1.00 0.00 N ATOM 983 CA ILE A 62 -13.760 -14.585 -4.456 1.00 0.00 C ATOM 984 C ILE A 62 -14.144 -15.931 -5.078 1.00 0.00 C ATOM 985 O ILE A 62 -13.701 -16.277 -6.155 1.00 0.00 O ATOM 986 CB ILE A 62 -12.751 -14.802 -3.323 1.00 0.00 C ATOM 987 CG1 ILE A 62 -12.280 -13.446 -2.795 1.00 0.00 C ATOM 988 CG2 ILE A 62 -11.549 -15.586 -3.843 1.00 0.00 C ATOM 989 CD1 ILE A 62 -11.454 -13.651 -1.525 1.00 0.00 C ATOM 0 H ILE A 62 -14.955 -13.791 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.317 -13.953 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.228 -15.364 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.683 -12.937 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -13.138 -12.808 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.835 -15.737 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -11.881 -16.554 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.071 -15.028 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.119 -12.684 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.066 -14.142 -0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.588 -14.273 -1.751 1.00 0.00 H new ATOM 1001 N ASN A 63 -14.964 -16.693 -4.408 1.00 0.00 N ATOM 1002 CA ASN A 63 -15.374 -18.015 -4.961 1.00 0.00 C ATOM 1003 C ASN A 63 -16.408 -17.808 -6.069 1.00 0.00 C ATOM 1004 O ASN A 63 -16.379 -18.466 -7.090 1.00 0.00 O ATOM 1005 CB ASN A 63 -15.987 -18.866 -3.847 1.00 0.00 C ATOM 1006 CG ASN A 63 -14.931 -19.136 -2.773 1.00 0.00 C ATOM 1007 OD1 ASN A 63 -15.203 -19.021 -1.594 1.00 0.00 O ATOM 1008 ND2 ASN A 63 -13.728 -19.493 -3.132 1.00 0.00 N ATOM 0 H ASN A 63 -15.368 -16.458 -3.501 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.500 -18.523 -5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.842 -18.351 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.356 -19.807 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.017 -19.675 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.499 -19.590 -4.121 1.00 0.00 H new ATOM 1015 N SER A 64 -17.323 -16.897 -5.878 1.00 0.00 N ATOM 1016 CA SER A 64 -18.358 -16.649 -6.921 1.00 0.00 C ATOM 1017 C SER A 64 -17.675 -16.332 -8.253 1.00 0.00 C ATOM 1018 O SER A 64 -18.194 -16.624 -9.312 1.00 0.00 O ATOM 1019 CB SER A 64 -19.230 -15.463 -6.501 1.00 0.00 C ATOM 1020 OG SER A 64 -20.196 -15.898 -5.556 1.00 0.00 O ATOM 0 H SER A 64 -17.398 -16.314 -5.045 1.00 0.00 H new ATOM 0 HA SER A 64 -18.980 -17.537 -7.034 1.00 0.00 H new ATOM 0 HB2 SER A 64 -18.610 -14.677 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 64 -19.725 -15.035 -7.373 1.00 0.00 H new ATOM 0 HG SER A 64 -19.870 -15.720 -4.649 1.00 0.00 H new ATOM 1026 N LEU A 65 -16.514 -15.738 -8.210 1.00 0.00 N ATOM 1027 CA LEU A 65 -15.800 -15.404 -9.475 1.00 0.00 C ATOM 1028 C LEU A 65 -15.074 -16.646 -9.993 1.00 0.00 C ATOM 1029 O LEU A 65 -15.226 -17.035 -11.134 1.00 0.00 O ATOM 1030 CB LEU A 65 -14.783 -14.293 -9.208 1.00 0.00 C ATOM 1031 CG LEU A 65 -15.513 -13.026 -8.757 1.00 0.00 C ATOM 1032 CD1 LEU A 65 -14.541 -12.119 -8.001 1.00 0.00 C ATOM 1033 CD2 LEU A 65 -16.053 -12.286 -9.982 1.00 0.00 C ATOM 0 H LEU A 65 -16.029 -15.470 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 65 -16.520 -15.066 -10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.076 -14.610 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.205 -14.090 -10.110 1.00 0.00 H new ATOM 0 HG LEU A 65 -16.341 -13.297 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.061 -11.216 -7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.156 -12.646 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.713 -11.847 -8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.573 -11.383 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.225 -12.015 -10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.746 -12.932 -10.521 1.00 0.00 H new ATOM 1147 N SER B 5 -9.954 3.525 -2.564 1.00 0.00 N ATOM 1148 CA SER B 5 -10.347 2.100 -2.364 1.00 0.00 C ATOM 1149 C SER B 5 -9.880 1.277 -3.566 1.00 0.00 C ATOM 1150 O SER B 5 -10.667 0.881 -4.404 1.00 0.00 O ATOM 1151 CB SER B 5 -11.869 2.004 -2.237 1.00 0.00 C ATOM 1152 OG SER B 5 -12.468 2.271 -3.496 1.00 0.00 O ATOM 0 HA SER B 5 -9.885 1.715 -1.455 1.00 0.00 H new ATOM 0 HB2 SER B 5 -12.154 1.010 -1.891 1.00 0.00 H new ATOM 0 HB3 SER B 5 -12.228 2.716 -1.494 1.00 0.00 H new ATOM 0 HG SER B 5 -12.296 1.523 -4.105 1.00 0.00 H new ATOM 1158 N ASP B 6 -8.604 1.023 -3.660 1.00 0.00 N ATOM 1159 CA ASP B 6 -8.080 0.234 -4.809 1.00 0.00 C ATOM 1160 C ASP B 6 -6.623 -0.140 -4.540 1.00 0.00 C ATOM 1161 O ASP B 6 -6.218 -0.294 -3.405 1.00 0.00 O ATOM 1162 CB ASP B 6 -8.190 1.074 -6.086 1.00 0.00 C ATOM 1163 CG ASP B 6 -7.274 2.296 -5.985 1.00 0.00 C ATOM 1164 OD1 ASP B 6 -7.732 3.317 -5.499 1.00 0.00 O ATOM 1165 OD2 ASP B 6 -6.130 2.190 -6.396 1.00 0.00 O ATOM 0 H ASP B 6 -7.900 1.329 -2.988 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.661 -0.680 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -7.915 0.473 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -9.222 1.393 -6.234 1.00 0.00 H new ATOM 1170 N THR B 7 -5.833 -0.306 -5.564 1.00 0.00 N ATOM 1171 CA THR B 7 -4.419 -0.688 -5.340 1.00 0.00 C ATOM 1172 C THR B 7 -3.615 0.537 -4.900 1.00 0.00 C ATOM 1173 O THR B 7 -4.115 1.644 -4.877 1.00 0.00 O ATOM 1174 CB THR B 7 -3.826 -1.259 -6.632 1.00 0.00 C ATOM 1175 OG1 THR B 7 -2.490 -1.677 -6.394 1.00 0.00 O ATOM 1176 CG2 THR B 7 -3.835 -0.183 -7.722 1.00 0.00 C ATOM 0 H THR B 7 -6.107 -0.193 -6.540 1.00 0.00 H new ATOM 0 HA THR B 7 -4.373 -1.446 -4.558 1.00 0.00 H new ATOM 0 HB THR B 7 -4.423 -2.110 -6.958 1.00 0.00 H new ATOM 0 HG1 THR B 7 -2.110 -2.044 -7.219 1.00 0.00 H new ATOM 0 HG21 THR B 7 -3.413 -0.592 -8.640 1.00 0.00 H new ATOM 0 HG22 THR B 7 -4.860 0.140 -7.906 1.00 0.00 H new ATOM 0 HG23 THR B 7 -3.239 0.670 -7.397 1.00 0.00 H new ATOM 1184 N THR B 8 -2.373 0.347 -4.550 1.00 0.00 N ATOM 1185 CA THR B 8 -1.535 1.498 -4.112 1.00 0.00 C ATOM 1186 C THR B 8 -0.058 1.205 -4.429 1.00 0.00 C ATOM 1187 O THR B 8 0.533 0.332 -3.826 1.00 0.00 O ATOM 1188 CB THR B 8 -1.700 1.701 -2.605 1.00 0.00 C ATOM 1189 OG1 THR B 8 -2.964 1.198 -2.195 1.00 0.00 O ATOM 1190 CG2 THR B 8 -1.617 3.194 -2.279 1.00 0.00 C ATOM 0 H THR B 8 -1.902 -0.557 -4.548 1.00 0.00 H new ATOM 0 HA THR B 8 -1.849 2.399 -4.639 1.00 0.00 H new ATOM 0 HB THR B 8 -0.908 1.169 -2.078 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.660 1.856 -2.401 1.00 0.00 H new ATOM 0 HG21 THR B 8 -1.735 3.339 -1.205 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.648 3.582 -2.594 1.00 0.00 H new ATOM 0 HG23 THR B 8 -2.409 3.726 -2.806 1.00 0.00 H new ATOM 1198 N PRO B 9 0.501 1.942 -5.368 1.00 0.00 N ATOM 1199 CA PRO B 9 1.908 1.759 -5.764 1.00 0.00 C ATOM 1200 C PRO B 9 2.831 2.013 -4.572 1.00 0.00 C ATOM 1201 O PRO B 9 3.111 3.143 -4.221 1.00 0.00 O ATOM 1202 CB PRO B 9 2.145 2.808 -6.862 1.00 0.00 C ATOM 1203 CG PRO B 9 0.818 3.584 -7.065 1.00 0.00 C ATOM 1204 CD PRO B 9 -0.213 3.005 -6.104 1.00 0.00 C ATOM 0 HA PRO B 9 2.113 0.747 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO B 9 2.946 3.489 -6.574 1.00 0.00 H new ATOM 0 HB3 PRO B 9 2.453 2.327 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO B 9 0.964 4.647 -6.873 1.00 0.00 H new ATOM 0 HG3 PRO B 9 0.475 3.490 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -0.591 3.769 -5.425 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -1.072 2.603 -6.642 1.00 0.00 H new ATOM 1212 N CYS B 10 3.304 0.973 -3.943 1.00 0.00 N ATOM 1213 CA CYS B 10 4.206 1.159 -2.773 1.00 0.00 C ATOM 1214 C CYS B 10 5.238 0.045 -2.732 1.00 0.00 C ATOM 1215 O CYS B 10 5.049 -1.018 -3.288 1.00 0.00 O ATOM 1216 CB CYS B 10 3.387 1.129 -1.482 1.00 0.00 C ATOM 1217 SG CYS B 10 2.126 2.425 -1.527 1.00 0.00 S ATOM 0 H CYS B 10 3.105 0.003 -4.189 1.00 0.00 H new ATOM 0 HA CYS B 10 4.712 2.120 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.915 0.154 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS B 10 4.041 1.275 -0.622 1.00 0.00 H new ATOM 1222 N CYS B 11 6.332 0.282 -2.070 1.00 0.00 N ATOM 1223 CA CYS B 11 7.377 -0.761 -1.987 1.00 0.00 C ATOM 1224 C CYS B 11 7.203 -1.521 -0.660 1.00 0.00 C ATOM 1225 O CYS B 11 6.493 -1.089 0.225 1.00 0.00 O ATOM 1226 CB CYS B 11 8.773 -0.091 -2.129 1.00 0.00 C ATOM 1227 SG CYS B 11 9.938 -0.577 -0.820 1.00 0.00 S ATOM 0 H CYS B 11 6.545 1.153 -1.584 1.00 0.00 H new ATOM 0 HA CYS B 11 7.289 -1.487 -2.795 1.00 0.00 H new ATOM 0 HB2 CYS B 11 9.197 -0.352 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS B 11 8.652 0.992 -2.115 1.00 0.00 H new ATOM 1232 N PHE B 12 7.854 -2.644 -0.518 1.00 0.00 N ATOM 1233 CA PHE B 12 7.733 -3.420 0.749 1.00 0.00 C ATOM 1234 C PHE B 12 9.037 -3.301 1.542 1.00 0.00 C ATOM 1235 O PHE B 12 9.075 -2.717 2.607 1.00 0.00 O ATOM 1236 CB PHE B 12 7.465 -4.892 0.426 1.00 0.00 C ATOM 1237 CG PHE B 12 7.344 -5.674 1.713 1.00 0.00 C ATOM 1238 CD1 PHE B 12 6.292 -5.391 2.613 1.00 0.00 C ATOM 1239 CD2 PHE B 12 8.288 -6.677 2.023 1.00 0.00 C ATOM 1240 CE1 PHE B 12 6.185 -6.113 3.822 1.00 0.00 C ATOM 1241 CE2 PHE B 12 8.183 -7.397 3.235 1.00 0.00 C ATOM 1242 CZ PHE B 12 7.130 -7.115 4.134 1.00 0.00 C ATOM 0 H PHE B 12 8.464 -3.057 -1.224 1.00 0.00 H new ATOM 0 HA PHE B 12 6.907 -3.024 1.340 1.00 0.00 H new ATOM 0 HB2 PHE B 12 6.549 -4.987 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE B 12 8.274 -5.295 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE B 12 5.570 -4.623 2.376 1.00 0.00 H new ATOM 0 HD2 PHE B 12 9.091 -6.894 1.334 1.00 0.00 H new ATOM 0 HE1 PHE B 12 5.380 -5.899 4.509 1.00 0.00 H new ATOM 0 HE2 PHE B 12 8.907 -8.162 3.474 1.00 0.00 H new ATOM 0 HZ PHE B 12 7.048 -7.666 5.059 1.00 0.00 H new ATOM 1252 N ALA B 13 10.107 -3.847 1.033 1.00 0.00 N ATOM 1253 CA ALA B 13 11.405 -3.763 1.759 1.00 0.00 C ATOM 1254 C ALA B 13 12.388 -2.926 0.952 1.00 0.00 C ATOM 1255 O ALA B 13 12.274 -2.802 -0.251 1.00 0.00 O ATOM 1256 CB ALA B 13 11.973 -5.168 1.965 1.00 0.00 C ATOM 0 H ALA B 13 10.138 -4.348 0.145 1.00 0.00 H new ATOM 0 HA ALA B 13 11.245 -3.295 2.730 1.00 0.00 H new ATOM 0 HB1 ALA B 13 12.922 -5.102 2.496 1.00 0.00 H new ATOM 0 HB2 ALA B 13 11.271 -5.762 2.549 1.00 0.00 H new ATOM 0 HB3 ALA B 13 12.131 -5.642 0.996 1.00 0.00 H new ATOM 1262 N TYR B 14 13.348 -2.339 1.607 1.00 0.00 N ATOM 1263 CA TYR B 14 14.326 -1.498 0.871 1.00 0.00 C ATOM 1264 C TYR B 14 15.631 -2.277 0.685 1.00 0.00 C ATOM 1265 O TYR B 14 16.070 -2.988 1.567 1.00 0.00 O ATOM 1266 CB TYR B 14 14.625 -0.200 1.645 1.00 0.00 C ATOM 1267 CG TYR B 14 13.441 0.205 2.500 1.00 0.00 C ATOM 1268 CD1 TYR B 14 12.399 0.983 1.946 1.00 0.00 C ATOM 1269 CD2 TYR B 14 13.385 -0.184 3.857 1.00 0.00 C ATOM 1270 CE1 TYR B 14 11.304 1.372 2.750 1.00 0.00 C ATOM 1271 CE2 TYR B 14 12.289 0.204 4.661 1.00 0.00 C ATOM 1272 CZ TYR B 14 11.249 0.984 4.106 1.00 0.00 C ATOM 1273 OH TYR B 14 10.181 1.365 4.892 1.00 0.00 O ATOM 0 H TYR B 14 13.497 -2.405 2.614 1.00 0.00 H new ATOM 0 HA TYR B 14 13.897 -1.241 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR B 14 15.502 -0.342 2.276 1.00 0.00 H new ATOM 0 HB3 TYR B 14 14.863 0.600 0.944 1.00 0.00 H new ATOM 0 HD1 TYR B 14 12.440 1.280 0.908 1.00 0.00 H new ATOM 0 HD2 TYR B 14 14.181 -0.779 4.281 1.00 0.00 H new ATOM 0 HE1 TYR B 14 10.508 1.967 2.326 1.00 0.00 H new ATOM 0 HE2 TYR B 14 12.246 -0.095 5.698 1.00 0.00 H new ATOM 0 HH TYR B 14 9.373 1.422 4.340 1.00 0.00 H new ATOM 1283 N ILE B 15 16.258 -2.146 -0.453 1.00 0.00 N ATOM 1284 CA ILE B 15 17.536 -2.878 -0.684 1.00 0.00 C ATOM 1285 C ILE B 15 18.675 -2.154 0.041 1.00 0.00 C ATOM 1286 O ILE B 15 18.946 -0.997 -0.209 1.00 0.00 O ATOM 1287 CB ILE B 15 17.834 -2.920 -2.185 1.00 0.00 C ATOM 1288 CG1 ILE B 15 19.154 -3.656 -2.421 1.00 0.00 C ATOM 1289 CG2 ILE B 15 17.943 -1.492 -2.724 1.00 0.00 C ATOM 1290 CD1 ILE B 15 19.254 -4.064 -3.893 1.00 0.00 C ATOM 0 H ILE B 15 15.942 -1.566 -1.230 1.00 0.00 H new ATOM 0 HA ILE B 15 17.448 -3.895 -0.301 1.00 0.00 H new ATOM 0 HB ILE B 15 17.028 -3.442 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE B 15 19.993 -3.015 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE B 15 19.210 -4.538 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE B 15 18.155 -1.522 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE B 15 17.003 -0.967 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE B 15 18.749 -0.969 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE B 15 20.194 -4.589 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE B 15 18.422 -4.721 -4.146 1.00 0.00 H new ATOM 0 HD13 ILE B 15 19.217 -3.174 -4.521 1.00 0.00 H new ATOM 1302 N ALA B 16 19.345 -2.829 0.936 1.00 0.00 N ATOM 1303 CA ALA B 16 20.466 -2.180 1.675 1.00 0.00 C ATOM 1304 C ALA B 16 21.693 -2.101 0.764 1.00 0.00 C ATOM 1305 O ALA B 16 22.563 -2.949 0.802 1.00 0.00 O ATOM 1306 CB ALA B 16 20.805 -3.006 2.918 1.00 0.00 C ATOM 0 H ALA B 16 19.165 -3.801 1.187 1.00 0.00 H new ATOM 0 HA ALA B 16 20.170 -1.176 1.978 1.00 0.00 H new ATOM 0 HB1 ALA B 16 21.624 -2.531 3.458 1.00 0.00 H new ATOM 0 HB2 ALA B 16 19.930 -3.065 3.565 1.00 0.00 H new ATOM 0 HB3 ALA B 16 21.102 -4.011 2.617 1.00 0.00 H new ATOM 1312 N ARG B 17 21.765 -1.087 -0.057 1.00 0.00 N ATOM 1313 CA ARG B 17 22.925 -0.939 -0.982 1.00 0.00 C ATOM 1314 C ARG B 17 22.585 0.141 -2.024 1.00 0.00 C ATOM 1315 O ARG B 17 21.729 -0.077 -2.858 1.00 0.00 O ATOM 1316 CB ARG B 17 23.191 -2.265 -1.704 1.00 0.00 C ATOM 1317 CG ARG B 17 24.548 -2.821 -1.272 1.00 0.00 C ATOM 1318 CD ARG B 17 25.579 -2.570 -2.375 1.00 0.00 C ATOM 1319 NE ARG B 17 26.852 -2.094 -1.766 1.00 0.00 N ATOM 1320 CZ ARG B 17 27.644 -1.305 -2.441 1.00 0.00 C ATOM 1321 NH1 ARG B 17 28.284 -1.761 -3.483 1.00 0.00 N ATOM 1322 NH2 ARG B 17 27.796 -0.063 -2.072 1.00 0.00 N ATOM 0 H ARG B 17 21.064 -0.349 -0.126 1.00 0.00 H new ATOM 0 HA ARG B 17 23.812 -0.657 -0.415 1.00 0.00 H new ATOM 0 HB2 ARG B 17 22.403 -2.981 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG B 17 23.176 -2.112 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG B 17 24.869 -2.346 -0.345 1.00 0.00 H new ATOM 0 HG3 ARG B 17 24.468 -3.889 -1.071 1.00 0.00 H new ATOM 0 HD2 ARG B 17 25.754 -3.486 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG B 17 25.201 -1.829 -3.079 1.00 0.00 H new ATOM 0 HE ARG B 17 27.105 -2.384 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG B 17 28.165 -2.733 -3.769 1.00 0.00 H new ATOM 0 HH12 ARG B 17 28.903 -1.146 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG B 17 27.296 0.292 -1.256 1.00 0.00 H new ATOM 0 HH22 ARG B 17 28.415 0.554 -2.599 1.00 0.00 H new ATOM 1336 N PRO B 18 23.249 1.278 -1.960 1.00 0.00 N ATOM 1337 CA PRO B 18 22.988 2.367 -2.913 1.00 0.00 C ATOM 1338 C PRO B 18 23.115 1.857 -4.346 1.00 0.00 C ATOM 1339 O PRO B 18 24.198 1.695 -4.872 1.00 0.00 O ATOM 1340 CB PRO B 18 24.046 3.433 -2.600 1.00 0.00 C ATOM 1341 CG PRO B 18 24.875 2.929 -1.392 1.00 0.00 C ATOM 1342 CD PRO B 18 24.300 1.572 -0.964 1.00 0.00 C ATOM 0 HA PRO B 18 21.979 2.770 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO B 18 24.690 3.599 -3.464 1.00 0.00 H new ATOM 0 HB3 PRO B 18 23.572 4.387 -2.368 1.00 0.00 H new ATOM 0 HG2 PRO B 18 25.926 2.830 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO B 18 24.824 3.642 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO B 18 25.069 0.800 -0.960 1.00 0.00 H new ATOM 0 HD3 PRO B 18 23.888 1.617 0.044 1.00 0.00 H new ATOM 1350 N LEU B 19 22.000 1.594 -4.976 1.00 0.00 N ATOM 1351 CA LEU B 19 22.016 1.083 -6.377 1.00 0.00 C ATOM 1352 C LEU B 19 22.966 1.932 -7.239 1.00 0.00 C ATOM 1353 O LEU B 19 23.089 3.119 -7.016 1.00 0.00 O ATOM 1354 CB LEU B 19 20.602 1.176 -6.955 1.00 0.00 C ATOM 1355 CG LEU B 19 19.662 0.250 -6.179 1.00 0.00 C ATOM 1356 CD1 LEU B 19 18.265 0.306 -6.802 1.00 0.00 C ATOM 1357 CD2 LEU B 19 20.188 -1.185 -6.237 1.00 0.00 C ATOM 0 H LEU B 19 21.070 1.713 -4.575 1.00 0.00 H new ATOM 0 HA LEU B 19 22.359 0.049 -6.378 1.00 0.00 H new ATOM 0 HB2 LEU B 19 20.243 2.204 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU B 19 20.611 0.899 -8.009 1.00 0.00 H new ATOM 0 HG LEU B 19 19.613 0.574 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU B 19 17.594 -0.353 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU B 19 17.888 1.328 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU B 19 18.317 -0.017 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU B 19 19.516 -1.841 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU B 19 20.240 -1.512 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU B 19 21.183 -1.226 -5.793 1.00 0.00 H new ATOM 1369 N PRO B 20 23.607 1.309 -8.207 1.00 0.00 N ATOM 1370 CA PRO B 20 24.530 2.023 -9.104 1.00 0.00 C ATOM 1371 C PRO B 20 23.766 3.084 -9.899 1.00 0.00 C ATOM 1372 O PRO B 20 22.816 2.786 -10.594 1.00 0.00 O ATOM 1373 CB PRO B 20 25.085 0.943 -10.045 1.00 0.00 C ATOM 1374 CG PRO B 20 24.440 -0.409 -9.643 1.00 0.00 C ATOM 1375 CD PRO B 20 23.471 -0.139 -8.484 1.00 0.00 C ATOM 0 HA PRO B 20 25.324 2.536 -8.562 1.00 0.00 H new ATOM 0 HB2 PRO B 20 24.853 1.184 -11.082 1.00 0.00 H new ATOM 0 HB3 PRO B 20 26.171 0.888 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO B 20 23.911 -0.847 -10.489 1.00 0.00 H new ATOM 0 HG3 PRO B 20 25.206 -1.123 -9.342 1.00 0.00 H new ATOM 0 HD2 PRO B 20 22.447 -0.395 -8.757 1.00 0.00 H new ATOM 0 HD3 PRO B 20 23.726 -0.735 -7.608 1.00 0.00 H new ATOM 1383 N ARG B 21 24.166 4.321 -9.797 1.00 0.00 N ATOM 1384 CA ARG B 21 23.455 5.398 -10.542 1.00 0.00 C ATOM 1385 C ARG B 21 23.567 5.154 -12.049 1.00 0.00 C ATOM 1386 O ARG B 21 22.809 5.695 -12.830 1.00 0.00 O ATOM 1387 CB ARG B 21 24.084 6.751 -10.200 1.00 0.00 C ATOM 1388 CG ARG B 21 23.064 7.864 -10.441 1.00 0.00 C ATOM 1389 CD ARG B 21 22.834 8.636 -9.140 1.00 0.00 C ATOM 1390 NE ARG B 21 24.006 9.513 -8.866 1.00 0.00 N ATOM 1391 CZ ARG B 21 24.660 9.396 -7.743 1.00 0.00 C ATOM 1392 NH1 ARG B 21 24.053 9.616 -6.609 1.00 0.00 N ATOM 1393 NH2 ARG B 21 25.921 9.058 -7.753 1.00 0.00 N ATOM 0 H ARG B 21 24.954 4.633 -9.230 1.00 0.00 H new ATOM 0 HA ARG B 21 22.403 5.396 -10.256 1.00 0.00 H new ATOM 0 HB2 ARG B 21 24.409 6.760 -9.160 1.00 0.00 H new ATOM 0 HB3 ARG B 21 24.970 6.917 -10.812 1.00 0.00 H new ATOM 0 HG2 ARG B 21 23.423 8.539 -11.218 1.00 0.00 H new ATOM 0 HG3 ARG B 21 22.125 7.440 -10.796 1.00 0.00 H new ATOM 0 HD2 ARG B 21 21.928 9.237 -9.217 1.00 0.00 H new ATOM 0 HD3 ARG B 21 22.686 7.941 -8.314 1.00 0.00 H new ATOM 0 HE ARG B 21 24.297 10.205 -9.556 1.00 0.00 H new ATOM 0 HH11 ARG B 21 23.068 9.879 -6.601 1.00 0.00 H new ATOM 0 HH12 ARG B 21 24.564 9.525 -5.731 1.00 0.00 H new ATOM 0 HH21 ARG B 21 26.396 8.885 -8.639 1.00 0.00 H new ATOM 0 HH22 ARG B 21 26.432 8.967 -6.875 1.00 0.00 H new ATOM 1407 N ALA B 22 24.505 4.351 -12.469 1.00 0.00 N ATOM 1408 CA ALA B 22 24.656 4.087 -13.927 1.00 0.00 C ATOM 1409 C ALA B 22 23.804 2.883 -14.327 1.00 0.00 C ATOM 1410 O ALA B 22 23.453 2.717 -15.479 1.00 0.00 O ATOM 1411 CB ALA B 22 26.125 3.801 -14.244 1.00 0.00 C ATOM 0 H ALA B 22 25.172 3.867 -11.867 1.00 0.00 H new ATOM 0 HA ALA B 22 24.325 4.962 -14.487 1.00 0.00 H new ATOM 0 HB1 ALA B 22 26.236 3.608 -15.311 1.00 0.00 H new ATOM 0 HB2 ALA B 22 26.732 4.663 -13.966 1.00 0.00 H new ATOM 0 HB3 ALA B 22 26.455 2.928 -13.681 1.00 0.00 H new ATOM 1417 N HIS B 23 23.468 2.039 -13.392 1.00 0.00 N ATOM 1418 CA HIS B 23 22.641 0.850 -13.734 1.00 0.00 C ATOM 1419 C HIS B 23 21.159 1.175 -13.545 1.00 0.00 C ATOM 1420 O HIS B 23 20.299 0.476 -14.042 1.00 0.00 O ATOM 1421 CB HIS B 23 23.018 -0.324 -12.829 1.00 0.00 C ATOM 1422 CG HIS B 23 24.506 -0.543 -12.872 1.00 0.00 C ATOM 1423 ND1 HIS B 23 25.112 -1.622 -12.239 1.00 0.00 N ATOM 1424 CD2 HIS B 23 25.522 0.152 -13.483 1.00 0.00 C ATOM 1425 CE1 HIS B 23 26.427 -1.549 -12.479 1.00 0.00 C ATOM 1426 NE2 HIS B 23 26.731 -0.482 -13.234 1.00 0.00 N ATOM 0 H HIS B 23 23.729 2.121 -12.409 1.00 0.00 H new ATOM 0 HA HIS B 23 22.825 0.581 -14.774 1.00 0.00 H new ATOM 0 HB2 HIS B 23 22.700 -0.123 -11.806 1.00 0.00 H new ATOM 0 HB3 HIS B 23 22.499 -1.226 -13.153 1.00 0.00 H new ATOM 0 HD2 HIS B 23 25.399 1.052 -14.067 1.00 0.00 H new ATOM 0 HE1 HIS B 23 27.152 -2.260 -12.111 1.00 0.00 H new ATOM 0 HE2 HIS B 23 27.656 -0.197 -13.557 1.00 0.00 H new ATOM 1434 N ILE B 24 20.843 2.227 -12.834 1.00 0.00 N ATOM 1435 CA ILE B 24 19.405 2.564 -12.636 1.00 0.00 C ATOM 1436 C ILE B 24 18.921 3.425 -13.803 1.00 0.00 C ATOM 1437 O ILE B 24 19.705 4.023 -14.512 1.00 0.00 O ATOM 1438 CB ILE B 24 19.204 3.346 -11.338 1.00 0.00 C ATOM 1439 CG1 ILE B 24 19.677 2.520 -10.142 1.00 0.00 C ATOM 1440 CG2 ILE B 24 17.716 3.676 -11.169 1.00 0.00 C ATOM 1441 CD1 ILE B 24 19.485 3.334 -8.859 1.00 0.00 C ATOM 0 H ILE B 24 21.509 2.858 -12.388 1.00 0.00 H new ATOM 0 HA ILE B 24 18.839 1.634 -12.584 1.00 0.00 H new ATOM 0 HB ILE B 24 19.786 4.266 -11.386 1.00 0.00 H new ATOM 0 HG12 ILE B 24 19.114 1.588 -10.083 1.00 0.00 H new ATOM 0 HG13 ILE B 24 20.726 2.251 -10.263 1.00 0.00 H new ATOM 0 HG21 ILE B 24 17.570 4.234 -10.244 1.00 0.00 H new ATOM 0 HG22 ILE B 24 17.379 4.278 -12.013 1.00 0.00 H new ATOM 0 HG23 ILE B 24 17.140 2.751 -11.130 1.00 0.00 H new ATOM 0 HD11 ILE B 24 19.821 2.749 -8.003 1.00 0.00 H new ATOM 0 HD12 ILE B 24 20.067 4.253 -8.921 1.00 0.00 H new ATOM 0 HD13 ILE B 24 18.430 3.580 -8.739 1.00 0.00 H new ATOM 1453 N LYS B 25 17.633 3.513 -13.994 1.00 0.00 N ATOM 1454 CA LYS B 25 17.108 4.359 -15.100 1.00 0.00 C ATOM 1455 C LYS B 25 16.388 5.571 -14.493 1.00 0.00 C ATOM 1456 O LYS B 25 16.867 6.685 -14.568 1.00 0.00 O ATOM 1457 CB LYS B 25 16.151 3.541 -15.971 1.00 0.00 C ATOM 1458 CG LYS B 25 15.747 4.358 -17.199 1.00 0.00 C ATOM 1459 CD LYS B 25 15.020 3.452 -18.195 1.00 0.00 C ATOM 1460 CE LYS B 25 15.304 3.931 -19.621 1.00 0.00 C ATOM 1461 NZ LYS B 25 14.206 4.832 -20.070 1.00 0.00 N ATOM 0 H LYS B 25 16.925 3.038 -13.434 1.00 0.00 H new ATOM 0 HA LYS B 25 17.928 4.705 -15.730 1.00 0.00 H new ATOM 0 HB2 LYS B 25 16.630 2.612 -16.281 1.00 0.00 H new ATOM 0 HB3 LYS B 25 15.266 3.267 -15.397 1.00 0.00 H new ATOM 0 HG2 LYS B 25 15.101 5.184 -16.903 1.00 0.00 H new ATOM 0 HG3 LYS B 25 16.630 4.795 -17.665 1.00 0.00 H new ATOM 0 HD2 LYS B 25 15.351 2.421 -18.074 1.00 0.00 H new ATOM 0 HD3 LYS B 25 13.947 3.467 -18.001 1.00 0.00 H new ATOM 0 HE2 LYS B 25 16.258 4.457 -19.656 1.00 0.00 H new ATOM 0 HE3 LYS B 25 15.386 3.077 -20.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.398 5.158 -21.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 13.304 4.315 -20.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.148 5.653 -19.434 1.00 0.00 H new ATOM 1475 N GLU B 26 15.246 5.371 -13.888 1.00 0.00 N ATOM 1476 CA GLU B 26 14.511 6.488 -13.281 1.00 0.00 C ATOM 1477 C GLU B 26 14.266 6.173 -11.805 1.00 0.00 C ATOM 1478 O GLU B 26 15.052 5.495 -11.174 1.00 0.00 O ATOM 1479 CB GLU B 26 13.183 6.605 -14.006 1.00 0.00 C ATOM 1480 CG GLU B 26 12.733 8.045 -13.968 1.00 0.00 C ATOM 1481 CD GLU B 26 12.377 8.522 -15.377 1.00 0.00 C ATOM 1482 OE1 GLU B 26 13.291 8.854 -16.116 1.00 0.00 O ATOM 1483 OE2 GLU B 26 11.200 8.558 -15.691 1.00 0.00 O ATOM 0 H GLU B 26 14.795 4.461 -13.794 1.00 0.00 H new ATOM 0 HA GLU B 26 15.071 7.420 -13.359 1.00 0.00 H new ATOM 0 HB2 GLU B 26 13.285 6.269 -15.038 1.00 0.00 H new ATOM 0 HB3 GLU B 26 12.438 5.964 -13.534 1.00 0.00 H new ATOM 0 HG2 GLU B 26 11.868 8.147 -13.312 1.00 0.00 H new ATOM 0 HG3 GLU B 26 13.523 8.670 -13.553 1.00 0.00 H new ATOM 1490 N TYR B 27 13.173 6.628 -11.251 1.00 0.00 N ATOM 1491 CA TYR B 27 12.885 6.319 -9.843 1.00 0.00 C ATOM 1492 C TYR B 27 11.390 6.533 -9.627 1.00 0.00 C ATOM 1493 O TYR B 27 10.687 6.916 -10.542 1.00 0.00 O ATOM 1494 CB TYR B 27 13.713 7.220 -8.917 1.00 0.00 C ATOM 1495 CG TYR B 27 13.233 8.651 -9.010 1.00 0.00 C ATOM 1496 CD1 TYR B 27 13.688 9.485 -10.056 1.00 0.00 C ATOM 1497 CD2 TYR B 27 12.320 9.150 -8.054 1.00 0.00 C ATOM 1498 CE1 TYR B 27 13.231 10.820 -10.143 1.00 0.00 C ATOM 1499 CE2 TYR B 27 11.862 10.483 -8.143 1.00 0.00 C ATOM 1500 CZ TYR B 27 12.318 11.318 -9.187 1.00 0.00 C ATOM 1501 OH TYR B 27 11.868 12.620 -9.275 1.00 0.00 O ATOM 0 H TYR B 27 12.473 7.200 -11.724 1.00 0.00 H new ATOM 0 HA TYR B 27 13.154 5.289 -9.609 1.00 0.00 H new ATOM 0 HB2 TYR B 27 13.632 6.868 -7.889 1.00 0.00 H new ATOM 0 HB3 TYR B 27 14.767 7.164 -9.191 1.00 0.00 H new ATOM 0 HD1 TYR B 27 14.384 9.103 -10.788 1.00 0.00 H new ATOM 0 HD2 TYR B 27 11.972 8.512 -7.255 1.00 0.00 H new ATOM 0 HE1 TYR B 27 13.580 11.459 -10.941 1.00 0.00 H new ATOM 0 HE2 TYR B 27 11.163 10.864 -7.413 1.00 0.00 H new ATOM 0 HH TYR B 27 11.245 12.801 -8.541 1.00 0.00 H new ATOM 1511 N PHE B 28 10.885 6.299 -8.450 1.00 0.00 N ATOM 1512 CA PHE B 28 9.431 6.511 -8.256 1.00 0.00 C ATOM 1513 C PHE B 28 9.115 6.684 -6.769 1.00 0.00 C ATOM 1514 O PHE B 28 8.858 5.729 -6.065 1.00 0.00 O ATOM 1515 CB PHE B 28 8.666 5.306 -8.819 1.00 0.00 C ATOM 1516 CG PHE B 28 7.188 5.456 -8.538 1.00 0.00 C ATOM 1517 CD1 PHE B 28 6.361 6.153 -9.447 1.00 0.00 C ATOM 1518 CD2 PHE B 28 6.636 4.909 -7.357 1.00 0.00 C ATOM 1519 CE1 PHE B 28 4.982 6.299 -9.177 1.00 0.00 C ATOM 1520 CE2 PHE B 28 5.258 5.057 -7.086 1.00 0.00 C ATOM 1521 CZ PHE B 28 4.430 5.752 -7.997 1.00 0.00 C ATOM 0 H PHE B 28 11.404 5.978 -7.633 1.00 0.00 H new ATOM 0 HA PHE B 28 9.125 7.415 -8.782 1.00 0.00 H new ATOM 0 HB2 PHE B 28 8.834 5.227 -9.893 1.00 0.00 H new ATOM 0 HB3 PHE B 28 9.039 4.386 -8.369 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.783 6.574 -10.348 1.00 0.00 H new ATOM 0 HD2 PHE B 28 7.269 4.378 -6.662 1.00 0.00 H new ATOM 0 HE1 PHE B 28 4.349 6.829 -9.873 1.00 0.00 H new ATOM 0 HE2 PHE B 28 4.837 4.639 -6.183 1.00 0.00 H new ATOM 0 HZ PHE B 28 3.376 5.865 -7.791 1.00 0.00 H new ATOM 1531 N TYR B 29 9.118 7.895 -6.286 1.00 0.00 N ATOM 1532 CA TYR B 29 8.806 8.112 -4.849 1.00 0.00 C ATOM 1533 C TYR B 29 7.428 7.531 -4.541 1.00 0.00 C ATOM 1534 O TYR B 29 6.460 7.786 -5.227 1.00 0.00 O ATOM 1535 CB TYR B 29 8.813 9.608 -4.538 1.00 0.00 C ATOM 1536 CG TYR B 29 8.403 9.843 -3.102 1.00 0.00 C ATOM 1537 CD1 TYR B 29 9.195 9.339 -2.048 1.00 0.00 C ATOM 1538 CD2 TYR B 29 7.220 10.562 -2.816 1.00 0.00 C ATOM 1539 CE1 TYR B 29 8.807 9.555 -0.706 1.00 0.00 C ATOM 1540 CE2 TYR B 29 6.831 10.776 -1.475 1.00 0.00 C ATOM 1541 CZ TYR B 29 7.624 10.273 -0.420 1.00 0.00 C ATOM 1542 OH TYR B 29 7.244 10.482 0.890 1.00 0.00 O ATOM 0 H TYR B 29 9.322 8.739 -6.822 1.00 0.00 H new ATOM 0 HA TYR B 29 9.558 7.617 -4.235 1.00 0.00 H new ATOM 0 HB2 TYR B 29 9.808 10.019 -4.712 1.00 0.00 H new ATOM 0 HB3 TYR B 29 8.131 10.130 -5.209 1.00 0.00 H new ATOM 0 HD1 TYR B 29 10.098 8.788 -2.267 1.00 0.00 H new ATOM 0 HD2 TYR B 29 6.614 10.948 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR B 29 9.414 9.171 0.100 1.00 0.00 H new ATOM 0 HE2 TYR B 29 5.927 11.325 -1.256 1.00 0.00 H new ATOM 0 HH TYR B 29 6.408 10.994 0.911 1.00 0.00 H new ATOM 1552 N THR B 30 7.344 6.755 -3.507 1.00 0.00 N ATOM 1553 CA THR B 30 6.037 6.146 -3.127 1.00 0.00 C ATOM 1554 C THR B 30 4.992 7.252 -2.952 1.00 0.00 C ATOM 1555 O THR B 30 5.308 8.425 -2.976 1.00 0.00 O ATOM 1556 CB THR B 30 6.192 5.377 -1.814 1.00 0.00 C ATOM 1557 OG1 THR B 30 7.457 4.732 -1.789 1.00 0.00 O ATOM 1558 CG2 THR B 30 5.083 4.328 -1.703 1.00 0.00 C ATOM 0 H THR B 30 8.127 6.511 -2.900 1.00 0.00 H new ATOM 0 HA THR B 30 5.714 5.461 -3.911 1.00 0.00 H new ATOM 0 HB THR B 30 6.121 6.071 -0.977 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.495 4.116 -1.028 1.00 0.00 H new ATOM 0 HG21 THR B 30 5.193 3.780 -0.767 1.00 0.00 H new ATOM 0 HG22 THR B 30 4.112 4.822 -1.722 1.00 0.00 H new ATOM 0 HG23 THR B 30 5.153 3.634 -2.541 1.00 0.00 H new ATOM 1566 N SER B 31 3.751 6.889 -2.777 1.00 0.00 N ATOM 1567 CA SER B 31 2.691 7.922 -2.601 1.00 0.00 C ATOM 1568 C SER B 31 2.568 8.282 -1.119 1.00 0.00 C ATOM 1569 O SER B 31 3.491 8.104 -0.349 1.00 0.00 O ATOM 1570 CB SER B 31 1.356 7.372 -3.108 1.00 0.00 C ATOM 1571 OG SER B 31 0.519 8.449 -3.502 1.00 0.00 O ATOM 0 H SER B 31 3.425 5.923 -2.748 1.00 0.00 H new ATOM 0 HA SER B 31 2.955 8.815 -3.168 1.00 0.00 H new ATOM 0 HB2 SER B 31 1.523 6.701 -3.950 1.00 0.00 H new ATOM 0 HB3 SER B 31 0.871 6.788 -2.326 1.00 0.00 H new ATOM 0 HG SER B 31 -0.335 8.097 -3.828 1.00 0.00 H new ATOM 1577 N GLY B 32 1.434 8.787 -0.711 1.00 0.00 N ATOM 1578 CA GLY B 32 1.256 9.155 0.721 1.00 0.00 C ATOM 1579 C GLY B 32 0.158 8.287 1.340 1.00 0.00 C ATOM 1580 O GLY B 32 -0.435 8.639 2.341 1.00 0.00 O ATOM 0 H GLY B 32 0.625 8.960 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY B 32 2.192 9.016 1.262 1.00 0.00 H new ATOM 0 HA3 GLY B 32 0.992 10.209 0.806 1.00 0.00 H new ATOM 1584 N LYS B 33 -0.117 7.153 0.754 1.00 0.00 N ATOM 1585 CA LYS B 33 -1.176 6.264 1.311 1.00 0.00 C ATOM 1586 C LYS B 33 -0.610 4.852 1.467 1.00 0.00 C ATOM 1587 O LYS B 33 -1.005 3.937 0.774 1.00 0.00 O ATOM 1588 CB LYS B 33 -2.378 6.229 0.360 1.00 0.00 C ATOM 1589 CG LYS B 33 -2.656 7.634 -0.180 1.00 0.00 C ATOM 1590 CD LYS B 33 -3.924 7.614 -1.036 1.00 0.00 C ATOM 1591 CE LYS B 33 -3.593 7.045 -2.417 1.00 0.00 C ATOM 1592 NZ LYS B 33 -4.340 7.803 -3.460 1.00 0.00 N ATOM 0 H LYS B 33 0.346 6.804 -0.086 1.00 0.00 H new ATOM 0 HA LYS B 33 -1.498 6.644 2.280 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.180 5.545 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -3.256 5.851 0.883 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -2.774 8.335 0.646 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -1.810 7.980 -0.774 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -4.692 7.008 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -4.327 8.622 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -2.521 7.112 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -3.859 5.989 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.115 7.416 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -5.362 7.717 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.066 8.805 -3.424 1.00 0.00 H new ATOM 1606 N CYS B 34 0.318 4.672 2.365 1.00 0.00 N ATOM 1607 CA CYS B 34 0.913 3.320 2.557 1.00 0.00 C ATOM 1608 C CYS B 34 1.678 3.277 3.882 1.00 0.00 C ATOM 1609 O CYS B 34 1.838 4.278 4.552 1.00 0.00 O ATOM 1610 CB CYS B 34 1.881 3.031 1.408 1.00 0.00 C ATOM 1611 SG CYS B 34 1.040 2.062 0.133 1.00 0.00 S ATOM 0 H CYS B 34 0.690 5.401 2.973 1.00 0.00 H new ATOM 0 HA CYS B 34 0.120 2.573 2.572 1.00 0.00 H new ATOM 0 HB2 CYS B 34 2.248 3.966 0.985 1.00 0.00 H new ATOM 0 HB3 CYS B 34 2.749 2.486 1.779 1.00 0.00 H new ATOM 1616 N SER B 35 2.155 2.122 4.262 1.00 0.00 N ATOM 1617 CA SER B 35 2.916 2.012 5.540 1.00 0.00 C ATOM 1618 C SER B 35 4.393 1.731 5.239 1.00 0.00 C ATOM 1619 O SER B 35 5.139 1.304 6.098 1.00 0.00 O ATOM 1620 CB SER B 35 2.340 0.866 6.375 1.00 0.00 C ATOM 1621 OG SER B 35 2.257 1.268 7.735 1.00 0.00 O ATOM 0 H SER B 35 2.051 1.250 3.743 1.00 0.00 H new ATOM 0 HA SER B 35 2.832 2.947 6.093 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.352 0.592 6.004 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.971 -0.018 6.284 1.00 0.00 H new ATOM 0 HG SER B 35 1.887 0.536 8.271 1.00 0.00 H new ATOM 1627 N ASN B 36 4.822 1.970 4.029 1.00 0.00 N ATOM 1628 CA ASN B 36 6.248 1.721 3.674 1.00 0.00 C ATOM 1629 C ASN B 36 6.743 2.856 2.768 1.00 0.00 C ATOM 1630 O ASN B 36 7.124 2.615 1.640 1.00 0.00 O ATOM 1631 CB ASN B 36 6.365 0.388 2.933 1.00 0.00 C ATOM 1632 CG ASN B 36 7.645 -0.329 3.369 1.00 0.00 C ATOM 1633 OD1 ASN B 36 8.700 -0.107 2.807 1.00 0.00 O ATOM 1634 ND2 ASN B 36 7.597 -1.186 4.351 1.00 0.00 N ATOM 0 H ASN B 36 4.244 2.328 3.269 1.00 0.00 H new ATOM 0 HA ASN B 36 6.852 1.683 4.580 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.496 -0.235 3.145 1.00 0.00 H new ATOM 0 HB3 ASN B 36 6.380 0.558 1.857 1.00 0.00 H new ATOM 0 HD21 ASN B 36 8.445 -1.670 4.647 1.00 0.00 H new ATOM 0 HD22 ASN B 36 6.712 -1.372 4.823 1.00 0.00 H new ATOM 1641 N PRO B 37 6.731 4.068 3.285 1.00 0.00 N ATOM 1642 CA PRO B 37 7.186 5.236 2.515 1.00 0.00 C ATOM 1643 C PRO B 37 8.617 5.003 2.037 1.00 0.00 C ATOM 1644 O PRO B 37 9.447 4.495 2.765 1.00 0.00 O ATOM 1645 CB PRO B 37 7.122 6.411 3.502 1.00 0.00 C ATOM 1646 CG PRO B 37 6.522 5.877 4.829 1.00 0.00 C ATOM 1647 CD PRO B 37 6.277 4.370 4.659 1.00 0.00 C ATOM 0 HA PRO B 37 6.578 5.424 1.630 1.00 0.00 H new ATOM 0 HB2 PRO B 37 8.117 6.824 3.670 1.00 0.00 H new ATOM 0 HB3 PRO B 37 6.506 7.216 3.100 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.204 6.062 5.659 1.00 0.00 H new ATOM 0 HG3 PRO B 37 5.590 6.392 5.062 1.00 0.00 H new ATOM 0 HD2 PRO B 37 6.835 3.793 5.396 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.224 4.123 4.791 1.00 0.00 H new ATOM 1655 N ALA B 38 8.912 5.347 0.816 1.00 0.00 N ATOM 1656 CA ALA B 38 10.287 5.117 0.302 1.00 0.00 C ATOM 1657 C ALA B 38 10.413 5.689 -1.111 1.00 0.00 C ATOM 1658 O ALA B 38 9.734 6.627 -1.476 1.00 0.00 O ATOM 1659 CB ALA B 38 10.552 3.607 0.284 1.00 0.00 C ATOM 0 H ALA B 38 8.264 5.775 0.155 1.00 0.00 H new ATOM 0 HA ALA B 38 11.016 5.613 0.943 1.00 0.00 H new ATOM 0 HB1 ALA B 38 11.558 3.419 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA B 38 10.461 3.210 1.295 1.00 0.00 H new ATOM 0 HB3 ALA B 38 9.825 3.118 -0.365 1.00 0.00 H new ATOM 1665 N VAL B 39 11.265 5.117 -1.913 1.00 0.00 N ATOM 1666 CA VAL B 39 11.435 5.588 -3.296 1.00 0.00 C ATOM 1667 C VAL B 39 11.634 4.326 -4.103 1.00 0.00 C ATOM 1668 O VAL B 39 12.069 3.321 -3.570 1.00 0.00 O ATOM 1669 CB VAL B 39 12.635 6.565 -3.376 1.00 0.00 C ATOM 1670 CG1 VAL B 39 13.856 5.941 -4.072 1.00 0.00 C ATOM 1671 CG2 VAL B 39 12.213 7.824 -4.135 1.00 0.00 C ATOM 0 H VAL B 39 11.858 4.328 -1.655 1.00 0.00 H new ATOM 0 HA VAL B 39 10.584 6.153 -3.678 1.00 0.00 H new ATOM 0 HB VAL B 39 12.927 6.808 -2.354 1.00 0.00 H new ATOM 0 HG11 VAL B 39 14.668 6.667 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL B 39 14.178 5.058 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL B 39 13.588 5.655 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL B 39 13.055 8.513 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL B 39 11.896 7.553 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL B 39 11.386 8.304 -3.612 1.00 0.00 H new ATOM 1681 N VAL B 40 11.294 4.332 -5.346 1.00 0.00 N ATOM 1682 CA VAL B 40 11.447 3.075 -6.109 1.00 0.00 C ATOM 1683 C VAL B 40 12.239 3.292 -7.382 1.00 0.00 C ATOM 1684 O VAL B 40 11.827 3.985 -8.287 1.00 0.00 O ATOM 1685 CB VAL B 40 10.062 2.515 -6.404 1.00 0.00 C ATOM 1686 CG1 VAL B 40 10.147 1.311 -7.338 1.00 0.00 C ATOM 1687 CG2 VAL B 40 9.459 2.066 -5.083 1.00 0.00 C ATOM 0 H VAL B 40 10.924 5.131 -5.862 1.00 0.00 H new ATOM 0 HA VAL B 40 12.010 2.356 -5.514 1.00 0.00 H new ATOM 0 HB VAL B 40 9.454 3.281 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL B 40 9.144 0.930 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL B 40 10.610 1.612 -8.278 1.00 0.00 H new ATOM 0 HG13 VAL B 40 10.747 0.530 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL B 40 8.463 1.658 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL B 40 10.092 1.299 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL B 40 9.389 2.918 -4.407 1.00 0.00 H new ATOM 1697 N PHE B 41 13.375 2.675 -7.459 1.00 0.00 N ATOM 1698 CA PHE B 41 14.200 2.825 -8.663 1.00 0.00 C ATOM 1699 C PHE B 41 13.737 1.864 -9.736 1.00 0.00 C ATOM 1700 O PHE B 41 13.459 0.711 -9.492 1.00 0.00 O ATOM 1701 CB PHE B 41 15.668 2.546 -8.330 1.00 0.00 C ATOM 1702 CG PHE B 41 16.247 3.699 -7.548 1.00 0.00 C ATOM 1703 CD1 PHE B 41 16.296 4.990 -8.120 1.00 0.00 C ATOM 1704 CD2 PHE B 41 16.775 3.479 -6.255 1.00 0.00 C ATOM 1705 CE1 PHE B 41 16.868 6.062 -7.399 1.00 0.00 C ATOM 1706 CE2 PHE B 41 17.352 4.550 -5.536 1.00 0.00 C ATOM 1707 CZ PHE B 41 17.397 5.840 -6.107 1.00 0.00 C ATOM 0 H PHE B 41 13.764 2.072 -6.734 1.00 0.00 H new ATOM 0 HA PHE B 41 14.099 3.847 -9.029 1.00 0.00 H new ATOM 0 HB2 PHE B 41 15.750 1.626 -7.752 1.00 0.00 H new ATOM 0 HB3 PHE B 41 16.236 2.397 -9.248 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.896 5.158 -9.109 1.00 0.00 H new ATOM 0 HD2 PHE B 41 16.737 2.493 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE B 41 16.901 7.050 -7.834 1.00 0.00 H new ATOM 0 HE2 PHE B 41 17.758 4.381 -4.550 1.00 0.00 H new ATOM 0 HZ PHE B 41 17.836 6.659 -5.556 1.00 0.00 H new ATOM 1717 N VAL B 42 13.688 2.344 -10.932 1.00 0.00 N ATOM 1718 CA VAL B 42 13.290 1.493 -12.077 1.00 0.00 C ATOM 1719 C VAL B 42 14.583 1.243 -12.867 1.00 0.00 C ATOM 1720 O VAL B 42 14.811 1.824 -13.905 1.00 0.00 O ATOM 1721 CB VAL B 42 12.270 2.207 -12.969 1.00 0.00 C ATOM 1722 CG1 VAL B 42 10.877 1.650 -12.684 1.00 0.00 C ATOM 1723 CG2 VAL B 42 12.266 3.721 -12.726 1.00 0.00 C ATOM 0 H VAL B 42 13.911 3.309 -11.174 1.00 0.00 H new ATOM 0 HA VAL B 42 12.822 0.569 -11.736 1.00 0.00 H new ATOM 0 HB VAL B 42 12.549 2.032 -14.008 1.00 0.00 H new ATOM 0 HG11 VAL B 42 10.147 2.155 -13.316 1.00 0.00 H new ATOM 0 HG12 VAL B 42 10.862 0.581 -12.895 1.00 0.00 H new ATOM 0 HG13 VAL B 42 10.626 1.816 -11.636 1.00 0.00 H new ATOM 0 HG21 VAL B 42 11.530 4.192 -13.377 1.00 0.00 H new ATOM 0 HG22 VAL B 42 12.011 3.922 -11.685 1.00 0.00 H new ATOM 0 HG23 VAL B 42 13.254 4.127 -12.942 1.00 0.00 H new ATOM 1733 N THR B 43 15.459 0.438 -12.333 1.00 0.00 N ATOM 1734 CA THR B 43 16.788 0.205 -12.990 1.00 0.00 C ATOM 1735 C THR B 43 16.673 -0.450 -14.361 1.00 0.00 C ATOM 1736 O THR B 43 15.641 -0.423 -15.001 1.00 0.00 O ATOM 1737 CB THR B 43 17.665 -0.664 -12.083 1.00 0.00 C ATOM 1738 OG1 THR B 43 17.254 -2.020 -12.183 1.00 0.00 O ATOM 1739 CG2 THR B 43 17.536 -0.196 -10.631 1.00 0.00 C ATOM 0 H THR B 43 15.315 -0.075 -11.463 1.00 0.00 H new ATOM 0 HA THR B 43 17.240 1.185 -13.141 1.00 0.00 H new ATOM 0 HB THR B 43 18.705 -0.574 -12.397 1.00 0.00 H new ATOM 0 HG1 THR B 43 17.816 -2.576 -11.604 1.00 0.00 H new ATOM 0 HG21 THR B 43 18.162 -0.818 -9.991 1.00 0.00 H new ATOM 0 HG22 THR B 43 17.857 0.843 -10.554 1.00 0.00 H new ATOM 0 HG23 THR B 43 16.497 -0.279 -10.313 1.00 0.00 H new ATOM 1747 N ARG B 44 17.767 -1.006 -14.831 1.00 0.00 N ATOM 1748 CA ARG B 44 17.782 -1.639 -16.178 1.00 0.00 C ATOM 1749 C ARG B 44 16.576 -2.565 -16.332 1.00 0.00 C ATOM 1750 O ARG B 44 15.715 -2.328 -17.156 1.00 0.00 O ATOM 1751 CB ARG B 44 19.084 -2.429 -16.385 1.00 0.00 C ATOM 1752 CG ARG B 44 19.475 -3.173 -15.100 1.00 0.00 C ATOM 1753 CD ARG B 44 20.891 -2.767 -14.685 1.00 0.00 C ATOM 1754 NE ARG B 44 21.152 -3.235 -13.294 1.00 0.00 N ATOM 1755 CZ ARG B 44 21.209 -4.513 -13.035 1.00 0.00 C ATOM 1756 NH1 ARG B 44 20.112 -5.217 -12.985 1.00 0.00 N ATOM 1757 NH2 ARG B 44 22.363 -5.086 -12.822 1.00 0.00 N ATOM 0 H ARG B 44 18.654 -1.045 -14.330 1.00 0.00 H new ATOM 0 HA ARG B 44 17.728 -0.855 -16.934 1.00 0.00 H new ATOM 0 HB2 ARG B 44 18.958 -3.142 -17.200 1.00 0.00 H new ATOM 0 HB3 ARG B 44 19.885 -1.750 -16.677 1.00 0.00 H new ATOM 0 HG2 ARG B 44 18.770 -2.939 -14.303 1.00 0.00 H new ATOM 0 HG3 ARG B 44 19.427 -4.250 -15.262 1.00 0.00 H new ATOM 0 HD2 ARG B 44 21.621 -3.200 -15.369 1.00 0.00 H new ATOM 0 HD3 ARG B 44 21.003 -1.684 -14.743 1.00 0.00 H new ATOM 0 HE ARG B 44 21.286 -2.556 -12.544 1.00 0.00 H new ATOM 0 HH11 ARG B 44 19.210 -4.769 -13.148 1.00 0.00 H new ATOM 0 HH12 ARG B 44 20.156 -6.216 -12.783 1.00 0.00 H new ATOM 0 HH21 ARG B 44 23.220 -4.535 -12.858 1.00 0.00 H new ATOM 0 HH22 ARG B 44 22.407 -6.085 -12.620 1.00 0.00 H new ATOM 1771 N LYS B 45 16.466 -3.590 -15.519 1.00 0.00 N ATOM 1772 CA LYS B 45 15.260 -4.471 -15.615 1.00 0.00 C ATOM 1773 C LYS B 45 14.048 -3.550 -15.480 1.00 0.00 C ATOM 1774 O LYS B 45 13.009 -3.748 -16.080 1.00 0.00 O ATOM 1775 CB LYS B 45 15.268 -5.498 -14.481 1.00 0.00 C ATOM 1776 CG LYS B 45 15.912 -6.797 -14.972 1.00 0.00 C ATOM 1777 CD LYS B 45 15.804 -7.864 -13.881 1.00 0.00 C ATOM 1778 CE LYS B 45 16.713 -9.043 -14.229 1.00 0.00 C ATOM 1779 NZ LYS B 45 16.067 -10.314 -13.798 1.00 0.00 N ATOM 0 H LYS B 45 17.147 -3.851 -14.805 1.00 0.00 H new ATOM 0 HA LYS B 45 15.241 -5.019 -16.557 1.00 0.00 H new ATOM 0 HB2 LYS B 45 15.820 -5.107 -13.626 1.00 0.00 H new ATOM 0 HB3 LYS B 45 14.250 -5.690 -14.143 1.00 0.00 H new ATOM 0 HG2 LYS B 45 15.417 -7.140 -15.881 1.00 0.00 H new ATOM 0 HG3 LYS B 45 16.958 -6.624 -15.224 1.00 0.00 H new ATOM 0 HD2 LYS B 45 16.089 -7.443 -12.917 1.00 0.00 H new ATOM 0 HD3 LYS B 45 14.772 -8.202 -13.789 1.00 0.00 H new ATOM 0 HE2 LYS B 45 16.903 -9.065 -15.302 1.00 0.00 H new ATOM 0 HE3 LYS B 45 17.679 -8.929 -13.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 16.686 -11.116 -14.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 15.908 -10.291 -12.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 15.156 -10.424 -14.287 1.00 0.00 H new ATOM 1793 N ASN B 46 14.232 -2.504 -14.722 1.00 0.00 N ATOM 1794 CA ASN B 46 13.188 -1.478 -14.531 1.00 0.00 C ATOM 1795 C ASN B 46 12.077 -1.970 -13.645 1.00 0.00 C ATOM 1796 O ASN B 46 11.070 -1.303 -13.494 1.00 0.00 O ATOM 1797 CB ASN B 46 12.622 -1.050 -15.885 1.00 0.00 C ATOM 1798 CG ASN B 46 12.812 0.458 -16.072 1.00 0.00 C ATOM 1799 OD1 ASN B 46 13.915 0.959 -15.988 1.00 0.00 O ATOM 1800 ND2 ASN B 46 11.774 1.206 -16.330 1.00 0.00 N ATOM 0 H ASN B 46 15.096 -2.320 -14.213 1.00 0.00 H new ATOM 0 HA ASN B 46 13.651 -0.622 -14.040 1.00 0.00 H new ATOM 0 HB2 ASN B 46 13.124 -1.591 -16.687 1.00 0.00 H new ATOM 0 HB3 ASN B 46 11.563 -1.303 -15.943 1.00 0.00 H new ATOM 0 HD21 ASN B 46 11.889 2.211 -16.461 1.00 0.00 H new ATOM 0 HD22 ASN B 46 10.847 0.786 -16.401 1.00 0.00 H new ATOM 1807 N ARG B 47 12.258 -3.074 -12.977 1.00 0.00 N ATOM 1808 CA ARG B 47 11.204 -3.496 -12.021 1.00 0.00 C ATOM 1809 C ARG B 47 11.103 -2.337 -11.045 1.00 0.00 C ATOM 1810 O ARG B 47 11.960 -1.472 -11.058 1.00 0.00 O ATOM 1811 CB ARG B 47 11.614 -4.773 -11.291 1.00 0.00 C ATOM 1812 CG ARG B 47 10.502 -5.817 -11.426 1.00 0.00 C ATOM 1813 CD ARG B 47 10.737 -6.948 -10.424 1.00 0.00 C ATOM 1814 NE ARG B 47 11.274 -8.141 -11.140 1.00 0.00 N ATOM 1815 CZ ARG B 47 10.482 -9.136 -11.435 1.00 0.00 C ATOM 1816 NH1 ARG B 47 10.182 -10.023 -10.525 1.00 0.00 N ATOM 1817 NH2 ARG B 47 9.992 -9.246 -12.639 1.00 0.00 N ATOM 0 H ARG B 47 13.069 -3.688 -13.049 1.00 0.00 H new ATOM 0 HA ARG B 47 10.258 -3.715 -12.516 1.00 0.00 H new ATOM 0 HB2 ARG B 47 12.544 -5.160 -11.708 1.00 0.00 H new ATOM 0 HB3 ARG B 47 11.801 -4.559 -10.239 1.00 0.00 H new ATOM 0 HG2 ARG B 47 9.531 -5.355 -11.247 1.00 0.00 H new ATOM 0 HG3 ARG B 47 10.483 -6.214 -12.441 1.00 0.00 H new ATOM 0 HD2 ARG B 47 11.438 -6.626 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG B 47 9.804 -7.202 -9.920 1.00 0.00 H new ATOM 0 HE ARG B 47 12.260 -8.179 -11.399 1.00 0.00 H new ATOM 0 HH11 ARG B 47 10.566 -9.938 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG B 47 9.563 -10.801 -10.755 1.00 0.00 H new ATOM 0 HH21 ARG B 47 10.228 -8.554 -13.351 1.00 0.00 H new ATOM 0 HH22 ARG B 47 9.373 -10.024 -12.869 1.00 0.00 H new ATOM 1831 N GLN B 48 10.106 -2.258 -10.235 1.00 0.00 N ATOM 1832 CA GLN B 48 10.057 -1.093 -9.337 1.00 0.00 C ATOM 1833 C GLN B 48 10.810 -1.440 -8.074 1.00 0.00 C ATOM 1834 O GLN B 48 10.257 -1.730 -7.038 1.00 0.00 O ATOM 1835 CB GLN B 48 8.622 -0.669 -9.098 1.00 0.00 C ATOM 1836 CG GLN B 48 8.312 0.412 -10.135 1.00 0.00 C ATOM 1837 CD GLN B 48 6.860 0.875 -9.994 1.00 0.00 C ATOM 1838 OE1 GLN B 48 6.301 0.877 -8.815 1.00 0.00 O flip ATOM 1839 NE2 GLN B 48 6.230 1.241 -10.966 1.00 0.00 N flip ATOM 0 H GLN B 48 9.341 -2.928 -10.154 1.00 0.00 H new ATOM 0 HA GLN B 48 10.543 -0.226 -9.785 1.00 0.00 H new ATOM 0 HB2 GLN B 48 7.944 -1.516 -9.205 1.00 0.00 H new ATOM 0 HB3 GLN B 48 8.494 -0.284 -8.086 1.00 0.00 H new ATOM 0 HG2 GLN B 48 8.986 1.258 -10.002 1.00 0.00 H new ATOM 0 HG3 GLN B 48 8.482 0.023 -11.139 1.00 0.00 H new ATOM 0 HE21 GLN B 48 6.667 1.239 -11.887 1.00 0.00 H new ATOM 0 HE22 GLN B 48 5.264 1.550 -10.861 1.00 0.00 H new ATOM 1848 N VAL B 49 12.100 -1.416 -8.207 1.00 0.00 N ATOM 1849 CA VAL B 49 13.014 -1.751 -7.091 1.00 0.00 C ATOM 1850 C VAL B 49 12.833 -0.731 -5.968 1.00 0.00 C ATOM 1851 O VAL B 49 12.359 0.363 -6.183 1.00 0.00 O ATOM 1852 CB VAL B 49 14.474 -1.718 -7.581 1.00 0.00 C ATOM 1853 CG1 VAL B 49 15.264 -2.772 -6.811 1.00 0.00 C ATOM 1854 CG2 VAL B 49 14.584 -2.018 -9.100 1.00 0.00 C ATOM 0 H VAL B 49 12.575 -1.169 -9.075 1.00 0.00 H new ATOM 0 HA VAL B 49 12.782 -2.751 -6.723 1.00 0.00 H new ATOM 0 HB VAL B 49 14.871 -0.718 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL B 49 16.302 -2.764 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL B 49 15.224 -2.550 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL B 49 14.832 -3.756 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL B 49 15.631 -1.984 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL B 49 14.178 -3.009 -9.306 1.00 0.00 H new ATOM 0 HG23 VAL B 49 14.020 -1.272 -9.660 1.00 0.00 H new ATOM 1864 N CYS B 50 13.202 -1.080 -4.769 1.00 0.00 N ATOM 1865 CA CYS B 50 13.045 -0.130 -3.636 1.00 0.00 C ATOM 1866 C CYS B 50 14.422 0.327 -3.156 1.00 0.00 C ATOM 1867 O CYS B 50 15.432 -0.231 -3.539 1.00 0.00 O ATOM 1868 CB CYS B 50 12.339 -0.843 -2.487 1.00 0.00 C ATOM 1869 SG CYS B 50 11.587 0.373 -1.387 1.00 0.00 S ATOM 0 H CYS B 50 13.606 -1.984 -4.525 1.00 0.00 H new ATOM 0 HA CYS B 50 12.464 0.733 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS B 50 11.575 -1.515 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS B 50 13.051 -1.456 -1.935 1.00 0.00 H new ATOM 1874 N ALA B 51 14.481 1.325 -2.311 1.00 0.00 N ATOM 1875 CA ALA B 51 15.811 1.776 -1.822 1.00 0.00 C ATOM 1876 C ALA B 51 15.682 2.740 -0.644 1.00 0.00 C ATOM 1877 O ALA B 51 16.581 3.505 -0.377 1.00 0.00 O ATOM 1878 CB ALA B 51 16.558 2.457 -2.966 1.00 0.00 C ATOM 0 H ALA B 51 13.678 1.837 -1.946 1.00 0.00 H new ATOM 0 HA ALA B 51 16.363 0.903 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA B 51 17.535 2.791 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA B 51 16.689 1.751 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA B 51 15.985 3.316 -3.314 1.00 0.00 H new ATOM 1884 N ASN B 52 14.605 2.684 0.094 1.00 0.00 N ATOM 1885 CA ASN B 52 14.471 3.575 1.287 1.00 0.00 C ATOM 1886 C ASN B 52 14.395 5.054 0.866 1.00 0.00 C ATOM 1887 O ASN B 52 15.079 5.459 -0.054 1.00 0.00 O ATOM 1888 CB ASN B 52 15.701 3.380 2.172 1.00 0.00 C ATOM 1889 CG ASN B 52 15.476 4.041 3.533 1.00 0.00 C ATOM 1890 OD1 ASN B 52 15.972 5.120 3.787 1.00 0.00 O ATOM 1891 ND2 ASN B 52 14.743 3.434 4.427 1.00 0.00 N ATOM 0 H ASN B 52 13.814 2.063 -0.076 1.00 0.00 H new ATOM 0 HA ASN B 52 13.556 3.318 1.820 1.00 0.00 H new ATOM 0 HB2 ASN B 52 15.900 2.316 2.303 1.00 0.00 H new ATOM 0 HB3 ASN B 52 16.578 3.811 1.690 1.00 0.00 H new ATOM 0 HD21 ASN B 52 14.587 3.866 5.338 1.00 0.00 H new ATOM 0 HD22 ASN B 52 14.326 2.528 4.215 1.00 0.00 H new ATOM 1898 N PRO B 53 13.573 5.831 1.556 1.00 0.00 N ATOM 1899 CA PRO B 53 13.422 7.266 1.256 1.00 0.00 C ATOM 1900 C PRO B 53 14.567 8.082 1.869 1.00 0.00 C ATOM 1901 O PRO B 53 15.336 8.716 1.173 1.00 0.00 O ATOM 1902 CB PRO B 53 12.114 7.659 1.951 1.00 0.00 C ATOM 1903 CG PRO B 53 11.787 6.541 2.974 1.00 0.00 C ATOM 1904 CD PRO B 53 12.715 5.354 2.666 1.00 0.00 C ATOM 0 HA PRO B 53 13.427 7.454 0.182 1.00 0.00 H new ATOM 0 HB2 PRO B 53 12.218 8.621 2.452 1.00 0.00 H new ATOM 0 HB3 PRO B 53 11.308 7.764 1.224 1.00 0.00 H new ATOM 0 HG2 PRO B 53 11.942 6.895 3.993 1.00 0.00 H new ATOM 0 HG3 PRO B 53 10.742 6.242 2.896 1.00 0.00 H new ATOM 0 HD2 PRO B 53 13.310 5.079 3.537 1.00 0.00 H new ATOM 0 HD3 PRO B 53 12.146 4.470 2.376 1.00 0.00 H new ATOM 1912 N GLU B 54 14.660 8.094 3.175 1.00 0.00 N ATOM 1913 CA GLU B 54 15.723 8.894 3.855 1.00 0.00 C ATOM 1914 C GLU B 54 17.034 8.106 3.954 1.00 0.00 C ATOM 1915 O GLU B 54 17.692 8.113 4.975 1.00 0.00 O ATOM 1916 CB GLU B 54 15.251 9.258 5.265 1.00 0.00 C ATOM 1917 CG GLU B 54 15.972 10.522 5.736 1.00 0.00 C ATOM 1918 CD GLU B 54 17.144 10.135 6.640 1.00 0.00 C ATOM 1919 OE1 GLU B 54 16.896 9.540 7.676 1.00 0.00 O ATOM 1920 OE2 GLU B 54 18.269 10.442 6.282 1.00 0.00 O ATOM 0 H GLU B 54 14.041 7.581 3.803 1.00 0.00 H new ATOM 0 HA GLU B 54 15.905 9.794 3.267 1.00 0.00 H new ATOM 0 HB2 GLU B 54 14.173 9.419 5.268 1.00 0.00 H new ATOM 0 HB3 GLU B 54 15.452 8.435 5.951 1.00 0.00 H new ATOM 0 HG2 GLU B 54 16.333 11.089 4.878 1.00 0.00 H new ATOM 0 HG3 GLU B 54 15.280 11.168 6.276 1.00 0.00 H new ATOM 1927 N LYS B 55 17.433 7.450 2.905 1.00 0.00 N ATOM 1928 CA LYS B 55 18.718 6.692 2.948 1.00 0.00 C ATOM 1929 C LYS B 55 19.845 7.581 2.404 1.00 0.00 C ATOM 1930 O LYS B 55 20.900 7.104 2.042 1.00 0.00 O ATOM 1931 CB LYS B 55 18.605 5.426 2.097 1.00 0.00 C ATOM 1932 CG LYS B 55 18.775 4.191 2.985 1.00 0.00 C ATOM 1933 CD LYS B 55 18.930 2.948 2.104 1.00 0.00 C ATOM 1934 CE LYS B 55 19.814 1.923 2.817 1.00 0.00 C ATOM 1935 NZ LYS B 55 18.956 0.851 3.395 1.00 0.00 N ATOM 0 H LYS B 55 16.929 7.403 2.019 1.00 0.00 H new ATOM 0 HA LYS B 55 18.938 6.408 3.977 1.00 0.00 H new ATOM 0 HB2 LYS B 55 17.636 5.397 1.598 1.00 0.00 H new ATOM 0 HB3 LYS B 55 19.365 5.432 1.316 1.00 0.00 H new ATOM 0 HG2 LYS B 55 19.649 4.308 3.625 1.00 0.00 H new ATOM 0 HG3 LYS B 55 17.912 4.080 3.641 1.00 0.00 H new ATOM 0 HD2 LYS B 55 17.952 2.516 1.892 1.00 0.00 H new ATOM 0 HD3 LYS B 55 19.372 3.221 1.146 1.00 0.00 H new ATOM 0 HE2 LYS B 55 20.530 1.493 2.117 1.00 0.00 H new ATOM 0 HE3 LYS B 55 20.390 2.408 3.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 19.554 0.152 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 18.289 1.269 4.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 18.425 0.383 2.633 1.00 0.00 H new ATOM 1949 N LYS B 56 19.625 8.874 2.353 1.00 0.00 N ATOM 1950 CA LYS B 56 20.674 9.812 1.849 1.00 0.00 C ATOM 1951 C LYS B 56 20.978 9.545 0.367 1.00 0.00 C ATOM 1952 O LYS B 56 20.415 10.166 -0.512 1.00 0.00 O ATOM 1953 CB LYS B 56 21.951 9.645 2.676 1.00 0.00 C ATOM 1954 CG LYS B 56 21.969 10.680 3.802 1.00 0.00 C ATOM 1955 CD LYS B 56 22.251 9.978 5.132 1.00 0.00 C ATOM 1956 CE LYS B 56 22.021 10.958 6.285 1.00 0.00 C ATOM 1957 NZ LYS B 56 21.294 10.268 7.387 1.00 0.00 N ATOM 0 H LYS B 56 18.755 9.321 2.642 1.00 0.00 H new ATOM 0 HA LYS B 56 20.304 10.832 1.947 1.00 0.00 H new ATOM 0 HB2 LYS B 56 21.998 8.639 3.092 1.00 0.00 H new ATOM 0 HB3 LYS B 56 22.828 9.769 2.040 1.00 0.00 H new ATOM 0 HG2 LYS B 56 22.732 11.433 3.607 1.00 0.00 H new ATOM 0 HG3 LYS B 56 21.012 11.200 3.848 1.00 0.00 H new ATOM 0 HD2 LYS B 56 21.600 9.111 5.243 1.00 0.00 H new ATOM 0 HD3 LYS B 56 23.277 9.611 5.151 1.00 0.00 H new ATOM 0 HE2 LYS B 56 22.975 11.339 6.648 1.00 0.00 H new ATOM 0 HE3 LYS B 56 21.446 11.816 5.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 21.444 10.784 8.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 20.277 10.241 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 21.653 9.297 7.485 1.00 0.00 H new ATOM 1971 N TRP B 57 21.879 8.643 0.085 1.00 0.00 N ATOM 1972 CA TRP B 57 22.243 8.346 -1.334 1.00 0.00 C ATOM 1973 C TRP B 57 20.989 8.177 -2.207 1.00 0.00 C ATOM 1974 O TRP B 57 21.035 8.385 -3.403 1.00 0.00 O ATOM 1975 CB TRP B 57 23.100 7.077 -1.367 1.00 0.00 C ATOM 1976 CG TRP B 57 22.283 5.912 -0.975 1.00 0.00 C ATOM 1977 CD1 TRP B 57 22.326 5.256 0.204 1.00 0.00 C ATOM 1978 CD2 TRP B 57 21.382 5.194 -1.818 1.00 0.00 C ATOM 1979 NE1 TRP B 57 21.450 4.184 0.141 1.00 0.00 N ATOM 1980 CE2 TRP B 57 20.847 4.099 -1.096 1.00 0.00 C ATOM 1981 CE3 TRP B 57 20.980 5.400 -3.148 1.00 0.00 C ATOM 1982 CZ2 TRP B 57 19.931 3.218 -1.693 1.00 0.00 C ATOM 1983 CZ3 TRP B 57 20.089 4.519 -3.763 1.00 0.00 C ATOM 1984 CH2 TRP B 57 19.564 3.423 -3.041 1.00 0.00 C ATOM 0 H TRP B 57 22.383 8.094 0.781 1.00 0.00 H new ATOM 0 HA TRP B 57 22.809 9.184 -1.742 1.00 0.00 H new ATOM 0 HB2 TRP B 57 23.507 6.928 -2.367 1.00 0.00 H new ATOM 0 HB3 TRP B 57 23.948 7.182 -0.691 1.00 0.00 H new ATOM 0 HD1 TRP B 57 22.939 5.522 1.053 1.00 0.00 H new ATOM 0 HE1 TRP B 57 21.274 3.540 0.912 1.00 0.00 H new ATOM 0 HE3 TRP B 57 21.363 6.246 -3.699 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 19.514 2.396 -1.130 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 19.800 4.675 -4.792 1.00 0.00 H new ATOM 0 HH2 TRP B 57 18.880 2.740 -3.522 1.00 0.00 H new ATOM 1995 N VAL B 58 19.876 7.811 -1.637 1.00 0.00 N ATOM 1996 CA VAL B 58 18.642 7.644 -2.476 1.00 0.00 C ATOM 1997 C VAL B 58 18.164 9.004 -2.969 1.00 0.00 C ATOM 1998 O VAL B 58 17.830 9.169 -4.121 1.00 0.00 O ATOM 1999 CB VAL B 58 17.496 6.994 -1.699 1.00 0.00 C ATOM 2000 CG1 VAL B 58 17.559 5.484 -1.865 1.00 0.00 C ATOM 2001 CG2 VAL B 58 17.551 7.361 -0.225 1.00 0.00 C ATOM 0 H VAL B 58 19.760 7.621 -0.642 1.00 0.00 H new ATOM 0 HA VAL B 58 18.912 6.995 -3.309 1.00 0.00 H new ATOM 0 HB VAL B 58 16.554 7.366 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL B 58 16.742 5.023 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL B 58 17.470 5.230 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL B 58 18.511 5.115 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL B 58 16.724 6.884 0.300 1.00 0.00 H new ATOM 0 HG22 VAL B 58 18.495 7.020 0.200 1.00 0.00 H new ATOM 0 HG23 VAL B 58 17.474 8.443 -0.116 1.00 0.00 H new ATOM 2011 N ARG B 59 18.112 9.976 -2.103 1.00 0.00 N ATOM 2012 CA ARG B 59 17.653 11.326 -2.530 1.00 0.00 C ATOM 2013 C ARG B 59 18.688 11.900 -3.494 1.00 0.00 C ATOM 2014 O ARG B 59 18.364 12.604 -4.430 1.00 0.00 O ATOM 2015 CB ARG B 59 17.523 12.237 -1.308 1.00 0.00 C ATOM 2016 CG ARG B 59 16.122 12.092 -0.711 1.00 0.00 C ATOM 2017 CD ARG B 59 16.154 12.489 0.767 1.00 0.00 C ATOM 2018 NE ARG B 59 14.762 12.546 1.295 1.00 0.00 N ATOM 2019 CZ ARG B 59 14.496 13.258 2.356 1.00 0.00 C ATOM 2020 NH1 ARG B 59 14.875 14.505 2.418 1.00 0.00 N ATOM 2021 NH2 ARG B 59 13.852 12.721 3.357 1.00 0.00 N ATOM 0 H ARG B 59 18.367 9.894 -1.119 1.00 0.00 H new ATOM 0 HA ARG B 59 16.682 11.256 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG B 59 18.276 11.975 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG B 59 17.703 13.274 -1.593 1.00 0.00 H new ATOM 0 HG2 ARG B 59 15.417 12.723 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG B 59 15.775 11.064 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG B 59 16.741 11.768 1.336 1.00 0.00 H new ATOM 0 HD3 ARG B 59 16.639 13.458 0.884 1.00 0.00 H new ATOM 0 HE ARG B 59 14.017 12.029 0.828 1.00 0.00 H new ATOM 0 HH11 ARG B 59 15.380 14.924 1.637 1.00 0.00 H new ATOM 0 HH12 ARG B 59 14.667 15.061 3.248 1.00 0.00 H new ATOM 0 HH21 ARG B 59 13.557 11.746 3.309 1.00 0.00 H new ATOM 0 HH22 ARG B 59 13.644 13.277 4.187 1.00 0.00 H new ATOM 2035 N GLU B 60 19.935 11.580 -3.279 1.00 0.00 N ATOM 2036 CA GLU B 60 21.004 12.077 -4.190 1.00 0.00 C ATOM 2037 C GLU B 60 20.858 11.382 -5.549 1.00 0.00 C ATOM 2038 O GLU B 60 21.406 11.813 -6.544 1.00 0.00 O ATOM 2039 CB GLU B 60 22.375 11.757 -3.593 1.00 0.00 C ATOM 2040 CG GLU B 60 22.823 12.907 -2.690 1.00 0.00 C ATOM 2041 CD GLU B 60 24.240 13.340 -3.073 1.00 0.00 C ATOM 2042 OE1 GLU B 60 25.176 12.705 -2.618 1.00 0.00 O ATOM 2043 OE2 GLU B 60 24.364 14.302 -3.814 1.00 0.00 O ATOM 0 H GLU B 60 20.260 10.994 -2.510 1.00 0.00 H new ATOM 0 HA GLU B 60 20.913 13.156 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU B 60 22.326 10.830 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU B 60 23.103 11.602 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU B 60 22.136 13.748 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU B 60 22.797 12.594 -1.646 1.00 0.00 H new ATOM 2050 N TYR B 61 20.103 10.316 -5.594 1.00 0.00 N ATOM 2051 CA TYR B 61 19.892 9.588 -6.871 1.00 0.00 C ATOM 2052 C TYR B 61 18.644 10.157 -7.537 1.00 0.00 C ATOM 2053 O TYR B 61 18.532 10.211 -8.745 1.00 0.00 O ATOM 2054 CB TYR B 61 19.667 8.104 -6.574 1.00 0.00 C ATOM 2055 CG TYR B 61 20.956 7.339 -6.749 1.00 0.00 C ATOM 2056 CD1 TYR B 61 22.095 7.684 -5.987 1.00 0.00 C ATOM 2057 CD2 TYR B 61 21.009 6.249 -7.645 1.00 0.00 C ATOM 2058 CE1 TYR B 61 23.287 6.940 -6.125 1.00 0.00 C ATOM 2059 CE2 TYR B 61 22.202 5.509 -7.786 1.00 0.00 C ATOM 2060 CZ TYR B 61 23.341 5.853 -7.025 1.00 0.00 C ATOM 2061 OH TYR B 61 24.506 5.123 -7.159 1.00 0.00 O ATOM 0 H TYR B 61 19.620 9.918 -4.789 1.00 0.00 H new ATOM 0 HA TYR B 61 20.760 9.700 -7.521 1.00 0.00 H new ATOM 0 HB2 TYR B 61 19.297 7.981 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR B 61 18.904 7.703 -7.241 1.00 0.00 H new ATOM 0 HD1 TYR B 61 22.054 8.516 -5.300 1.00 0.00 H new ATOM 0 HD2 TYR B 61 20.136 5.982 -8.222 1.00 0.00 H new ATOM 0 HE1 TYR B 61 24.158 7.202 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR B 61 22.244 4.679 -8.476 1.00 0.00 H new ATOM 0 HH TYR B 61 24.356 4.207 -6.845 1.00 0.00 H new ATOM 2071 N ILE B 62 17.703 10.584 -6.741 1.00 0.00 N ATOM 2072 CA ILE B 62 16.451 11.158 -7.297 1.00 0.00 C ATOM 2073 C ILE B 62 16.786 12.402 -8.125 1.00 0.00 C ATOM 2074 O ILE B 62 16.269 12.597 -9.207 1.00 0.00 O ATOM 2075 CB ILE B 62 15.524 11.534 -6.138 1.00 0.00 C ATOM 2076 CG1 ILE B 62 15.098 10.267 -5.394 1.00 0.00 C ATOM 2077 CG2 ILE B 62 14.284 12.243 -6.677 1.00 0.00 C ATOM 2078 CD1 ILE B 62 14.355 10.653 -4.113 1.00 0.00 C ATOM 0 H ILE B 62 17.750 10.559 -5.722 1.00 0.00 H new ATOM 0 HA ILE B 62 15.956 10.429 -7.938 1.00 0.00 H new ATOM 0 HB ILE B 62 16.054 12.200 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE B 62 14.456 9.658 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE B 62 15.973 9.663 -5.152 1.00 0.00 H new ATOM 0 HG21 ILE B 62 13.628 12.508 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE B 62 14.583 13.147 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE B 62 13.754 11.580 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE B 62 14.051 9.751 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE B 62 15.012 11.245 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE B 62 13.472 11.239 -4.367 1.00 0.00 H new ATOM 2090 N ASN B 63 17.646 13.246 -7.624 1.00 0.00 N ATOM 2091 CA ASN B 63 18.012 14.475 -8.383 1.00 0.00 C ATOM 2092 C ASN B 63 18.970 14.110 -9.519 1.00 0.00 C ATOM 2093 O ASN B 63 18.870 14.620 -10.617 1.00 0.00 O ATOM 2094 CB ASN B 63 18.694 15.471 -7.442 1.00 0.00 C ATOM 2095 CG ASN B 63 17.711 15.893 -6.348 1.00 0.00 C ATOM 2096 OD1 ASN B 63 18.063 15.943 -5.186 1.00 0.00 O ATOM 2097 ND2 ASN B 63 16.484 16.201 -6.672 1.00 0.00 N ATOM 0 H ASN B 63 18.111 13.138 -6.722 1.00 0.00 H new ATOM 0 HA ASN B 63 17.111 14.925 -8.799 1.00 0.00 H new ATOM 0 HB2 ASN B 63 19.579 15.018 -6.996 1.00 0.00 H new ATOM 0 HB3 ASN B 63 19.030 16.344 -8.001 1.00 0.00 H new ATOM 0 HD21 ASN B 63 15.821 16.483 -5.950 1.00 0.00 H new ATOM 0 HD22 ASN B 63 16.188 16.159 -7.647 1.00 0.00 H new ATOM 2104 N SER B 64 19.900 13.230 -9.263 1.00 0.00 N ATOM 2105 CA SER B 64 20.863 12.833 -10.328 1.00 0.00 C ATOM 2106 C SER B 64 20.093 12.336 -11.554 1.00 0.00 C ATOM 2107 O SER B 64 20.538 12.475 -12.676 1.00 0.00 O ATOM 2108 CB SER B 64 21.767 11.715 -9.806 1.00 0.00 C ATOM 2109 OG SER B 64 22.793 12.274 -8.998 1.00 0.00 O ATOM 0 H SER B 64 20.034 12.770 -8.363 1.00 0.00 H new ATOM 0 HA SER B 64 21.472 13.693 -10.606 1.00 0.00 H new ATOM 0 HB2 SER B 64 21.182 11.000 -9.227 1.00 0.00 H new ATOM 0 HB3 SER B 64 22.204 11.167 -10.641 1.00 0.00 H new ATOM 0 HG SER B 64 22.522 12.242 -8.057 1.00 0.00 H new ATOM 2115 N LEU B 65 18.942 11.759 -11.349 1.00 0.00 N ATOM 2116 CA LEU B 65 18.146 11.254 -12.504 1.00 0.00 C ATOM 2117 C LEU B 65 17.380 12.415 -13.141 1.00 0.00 C ATOM 2118 O LEU B 65 17.452 12.639 -14.334 1.00 0.00 O ATOM 2119 CB LEU B 65 17.154 10.196 -12.016 1.00 0.00 C ATOM 2120 CG LEU B 65 17.920 9.001 -11.443 1.00 0.00 C ATOM 2121 CD1 LEU B 65 17.004 8.214 -10.502 1.00 0.00 C ATOM 2122 CD2 LEU B 65 18.379 8.095 -12.586 1.00 0.00 C ATOM 0 H LEU B 65 18.518 11.615 -10.433 1.00 0.00 H new ATOM 0 HA LEU B 65 18.816 10.812 -13.241 1.00 0.00 H new ATOM 0 HB2 LEU B 65 16.499 10.620 -11.255 1.00 0.00 H new ATOM 0 HB3 LEU B 65 16.518 9.872 -12.839 1.00 0.00 H new ATOM 0 HG LEU B 65 18.790 9.356 -10.890 1.00 0.00 H new ATOM 0 HD11 LEU B 65 17.548 7.362 -10.093 1.00 0.00 H new ATOM 0 HD12 LEU B 65 16.677 8.861 -9.688 1.00 0.00 H new ATOM 0 HD13 LEU B 65 16.134 7.858 -11.054 1.00 0.00 H new ATOM 0 HD21 LEU B 65 18.925 7.244 -12.179 1.00 0.00 H new ATOM 0 HD22 LEU B 65 17.510 7.738 -13.139 1.00 0.00 H new ATOM 0 HD23 LEU B 65 19.030 8.656 -13.256 1.00 0.00 H new