USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 27 HIS : no HD1:sc= -3.82! K(o=-3.8!,f=-2.8) USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0134 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -59:sc= 0.43 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -64:sc= 0.00399 USER MOD Single : A 17 MET CE :methyl 164:sc= -0.54 (180deg=-1.37!) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0.00905 (180deg=0.00238) USER MOD Single : A 21 ASN : amide:sc= -0.251 K(o=-0.25,f=-4.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -170:sc= -0.014 (180deg=-0.202) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.225 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -160:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -4.12! K(o=-4.1!,f=-2.7) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.517 K(o=-0.52,f=-2.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -0.0229 (180deg=-0.239) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.644 K(o=-0.64,f=-1.6) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 33:sc= 0.252 USER MOD Single : A 90 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.64) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.00553 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0295 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.968 -5.838 27.494 1.00 0.00 N ATOM 2 CA GLY A 1 15.146 -6.753 26.724 1.00 0.00 C ATOM 3 C GLY A 1 15.106 -6.397 25.251 1.00 0.00 C ATOM 4 O GLY A 1 16.102 -5.945 24.687 1.00 0.00 O ATOM 0 H1 GLY A 1 16.623 -6.380 28.093 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.512 -5.232 26.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.359 -5.245 28.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.530 -7.767 26.839 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.132 -6.749 27.123 1.00 0.00 H new ATOM 8 N SER A 2 13.951 -6.601 24.626 1.00 0.00 N ATOM 9 CA SER A 2 13.786 -6.303 23.208 1.00 0.00 C ATOM 10 C SER A 2 14.360 -4.931 22.871 1.00 0.00 C ATOM 11 O SER A 2 14.763 -4.179 23.758 1.00 0.00 O ATOM 12 CB SER A 2 12.306 -6.358 22.822 1.00 0.00 C ATOM 13 OG SER A 2 11.541 -5.459 23.606 1.00 0.00 O ATOM 0 H SER A 2 13.116 -6.971 25.079 1.00 0.00 H new ATOM 0 HA SER A 2 14.331 -7.056 22.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.193 -6.112 21.766 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.930 -7.372 22.955 1.00 0.00 H new ATOM 0 HG SER A 2 10.600 -5.512 23.339 1.00 0.00 H new ATOM 19 N SER A 3 14.394 -4.611 21.581 1.00 0.00 N ATOM 20 CA SER A 3 14.922 -3.331 21.124 1.00 0.00 C ATOM 21 C SER A 3 14.347 -2.961 19.760 1.00 0.00 C ATOM 22 O SER A 3 14.066 -3.830 18.936 1.00 0.00 O ATOM 23 CB SER A 3 16.450 -3.383 21.049 1.00 0.00 C ATOM 24 OG SER A 3 16.880 -4.247 20.012 1.00 0.00 O ATOM 0 H SER A 3 14.062 -5.221 20.834 1.00 0.00 H new ATOM 0 HA SER A 3 14.626 -2.567 21.843 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.843 -2.381 20.878 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.853 -3.725 22.002 1.00 0.00 H new ATOM 0 HG SER A 3 17.859 -4.262 19.984 1.00 0.00 H new ATOM 30 N GLY A 4 14.175 -1.663 19.530 1.00 0.00 N ATOM 31 CA GLY A 4 13.634 -1.199 18.266 1.00 0.00 C ATOM 32 C GLY A 4 14.128 0.185 17.896 1.00 0.00 C ATOM 33 O GLY A 4 15.312 0.489 18.046 1.00 0.00 O ATOM 0 H GLY A 4 14.401 -0.925 20.196 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.907 -1.901 17.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.545 -1.190 18.322 1.00 0.00 H new ATOM 37 N SER A 5 13.221 1.026 17.410 1.00 0.00 N ATOM 38 CA SER A 5 13.572 2.384 17.013 1.00 0.00 C ATOM 39 C SER A 5 14.654 2.372 15.937 1.00 0.00 C ATOM 40 O SER A 5 15.608 3.149 15.992 1.00 0.00 O ATOM 41 CB SER A 5 14.051 3.185 18.225 1.00 0.00 C ATOM 42 OG SER A 5 14.230 4.552 17.895 1.00 0.00 O ATOM 0 H SER A 5 12.237 0.790 17.282 1.00 0.00 H new ATOM 0 HA SER A 5 12.680 2.858 16.603 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.326 3.095 19.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.990 2.770 18.591 1.00 0.00 H new ATOM 0 HG SER A 5 14.888 4.631 17.173 1.00 0.00 H new ATOM 48 N SER A 6 14.499 1.485 14.960 1.00 0.00 N ATOM 49 CA SER A 6 15.464 1.369 13.873 1.00 0.00 C ATOM 50 C SER A 6 14.928 2.016 12.599 1.00 0.00 C ATOM 51 O SER A 6 13.726 2.241 12.462 1.00 0.00 O ATOM 52 CB SER A 6 15.793 -0.102 13.611 1.00 0.00 C ATOM 53 OG SER A 6 16.673 -0.611 14.598 1.00 0.00 O ATOM 0 H SER A 6 13.714 0.836 14.899 1.00 0.00 H new ATOM 0 HA SER A 6 16.374 1.891 14.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.874 -0.688 13.602 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.247 -0.206 12.626 1.00 0.00 H new ATOM 0 HG SER A 6 16.867 -1.553 14.409 1.00 0.00 H new ATOM 59 N GLY A 7 15.831 2.315 11.670 1.00 0.00 N ATOM 60 CA GLY A 7 15.432 2.934 10.419 1.00 0.00 C ATOM 61 C GLY A 7 16.582 3.056 9.440 1.00 0.00 C ATOM 62 O GLY A 7 16.878 4.147 8.953 1.00 0.00 O ATOM 0 H GLY A 7 16.832 2.140 11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.633 2.347 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.024 3.924 10.621 1.00 0.00 H new ATOM 66 N MET A 8 17.233 1.934 9.151 1.00 0.00 N ATOM 67 CA MET A 8 18.358 1.921 8.223 1.00 0.00 C ATOM 68 C MET A 8 17.884 2.150 6.791 1.00 0.00 C ATOM 69 O MET A 8 16.684 2.228 6.529 1.00 0.00 O ATOM 70 CB MET A 8 19.109 0.592 8.317 1.00 0.00 C ATOM 71 CG MET A 8 20.214 0.591 9.361 1.00 0.00 C ATOM 72 SD MET A 8 20.674 -1.072 9.884 1.00 0.00 S ATOM 73 CE MET A 8 20.526 -0.920 11.663 1.00 0.00 C ATOM 0 H MET A 8 17.001 1.023 9.546 1.00 0.00 H new ATOM 0 HA MET A 8 19.033 2.732 8.498 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.399 -0.201 8.551 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.540 0.358 7.344 1.00 0.00 H new ATOM 0 HG2 MET A 8 21.091 1.096 8.956 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.889 1.164 10.229 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.779 -1.871 12.132 1.00 0.00 H new ATOM 0 HE2 MET A 8 21.206 -0.147 12.020 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.502 -0.650 11.921 1.00 0.00 H new ATOM 83 N ALA A 9 18.834 2.258 5.868 1.00 0.00 N ATOM 84 CA ALA A 9 18.513 2.476 4.463 1.00 0.00 C ATOM 85 C ALA A 9 17.787 1.272 3.872 1.00 0.00 C ATOM 86 O ALA A 9 16.870 1.423 3.066 1.00 0.00 O ATOM 87 CB ALA A 9 19.779 2.772 3.672 1.00 0.00 C ATOM 0 H ALA A 9 19.832 2.198 6.068 1.00 0.00 H new ATOM 0 HA ALA A 9 17.847 3.337 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.524 2.933 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 9 20.256 3.667 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.464 1.928 3.753 1.00 0.00 H new ATOM 93 N SER A 10 18.205 0.077 4.278 1.00 0.00 N ATOM 94 CA SER A 10 17.597 -1.153 3.785 1.00 0.00 C ATOM 95 C SER A 10 16.875 -1.890 4.909 1.00 0.00 C ATOM 96 O SER A 10 17.063 -1.586 6.087 1.00 0.00 O ATOM 97 CB SER A 10 18.661 -2.060 3.166 1.00 0.00 C ATOM 98 OG SER A 10 18.926 -1.693 1.823 1.00 0.00 O ATOM 0 H SER A 10 18.962 -0.065 4.947 1.00 0.00 H new ATOM 0 HA SER A 10 16.867 -0.888 3.020 1.00 0.00 H new ATOM 0 HB2 SER A 10 19.579 -2.000 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 10 18.326 -3.097 3.204 1.00 0.00 H new ATOM 0 HG SER A 10 19.611 -2.287 1.451 1.00 0.00 H new ATOM 104 N ASP A 11 16.048 -2.861 4.535 1.00 0.00 N ATOM 105 CA ASP A 11 15.298 -3.644 5.510 1.00 0.00 C ATOM 106 C ASP A 11 14.457 -2.737 6.403 1.00 0.00 C ATOM 107 O ASP A 11 14.269 -3.015 7.588 1.00 0.00 O ATOM 108 CB ASP A 11 16.250 -4.482 6.364 1.00 0.00 C ATOM 109 CG ASP A 11 16.599 -5.805 5.713 1.00 0.00 C ATOM 110 OD1 ASP A 11 15.807 -6.762 5.850 1.00 0.00 O ATOM 111 OD2 ASP A 11 17.664 -5.885 5.066 1.00 0.00 O ATOM 0 H ASP A 11 15.880 -3.124 3.564 1.00 0.00 H new ATOM 0 HA ASP A 11 14.628 -4.311 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 11 17.164 -3.917 6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 11 15.793 -4.668 7.336 1.00 0.00 H new ATOM 116 N THR A 12 13.953 -1.650 5.828 1.00 0.00 N ATOM 117 CA THR A 12 13.134 -0.701 6.572 1.00 0.00 C ATOM 118 C THR A 12 11.833 -1.344 7.038 1.00 0.00 C ATOM 119 O THR A 12 11.170 -2.069 6.295 1.00 0.00 O ATOM 120 CB THR A 12 12.804 0.542 5.724 1.00 0.00 C ATOM 121 OG1 THR A 12 13.991 1.032 5.090 1.00 0.00 O ATOM 122 CG2 THR A 12 12.194 1.638 6.585 1.00 0.00 C ATOM 0 H THR A 12 14.098 -1.405 4.849 1.00 0.00 H new ATOM 0 HA THR A 12 13.716 -0.395 7.441 1.00 0.00 H new ATOM 0 HB THR A 12 12.079 0.253 4.963 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.622 1.342 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.969 2.506 5.964 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.275 1.272 7.043 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.900 1.923 7.365 1.00 0.00 H new ATOM 130 N PRO A 13 11.456 -1.074 8.296 1.00 0.00 N ATOM 131 CA PRO A 13 10.229 -1.616 8.888 1.00 0.00 C ATOM 132 C PRO A 13 8.972 -1.008 8.277 1.00 0.00 C ATOM 133 O PRO A 13 8.024 -1.719 7.947 1.00 0.00 O ATOM 134 CB PRO A 13 10.347 -1.229 10.365 1.00 0.00 C ATOM 135 CG PRO A 13 11.229 -0.028 10.372 1.00 0.00 C ATOM 136 CD PRO A 13 12.197 -0.218 9.237 1.00 0.00 C ATOM 0 HA PRO A 13 10.135 -2.689 8.720 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.371 -1.006 10.795 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.777 -2.039 10.954 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.647 0.884 10.240 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.755 0.064 11.322 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.474 0.733 8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.120 -0.693 9.571 1.00 0.00 H new ATOM 144 N GLY A 14 8.971 0.314 8.128 1.00 0.00 N ATOM 145 CA GLY A 14 7.825 0.995 7.556 1.00 0.00 C ATOM 146 C GLY A 14 8.208 2.281 6.850 1.00 0.00 C ATOM 147 O GLY A 14 8.105 3.366 7.422 1.00 0.00 O ATOM 0 H GLY A 14 9.744 0.925 8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.327 0.331 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.107 1.217 8.345 1.00 0.00 H new ATOM 151 N PHE A 15 8.652 2.160 5.603 1.00 0.00 N ATOM 152 CA PHE A 15 9.054 3.321 4.818 1.00 0.00 C ATOM 153 C PHE A 15 7.844 3.984 4.168 1.00 0.00 C ATOM 154 O PHE A 15 7.505 5.126 4.482 1.00 0.00 O ATOM 155 CB PHE A 15 10.064 2.913 3.744 1.00 0.00 C ATOM 156 CG PHE A 15 10.759 4.078 3.100 1.00 0.00 C ATOM 157 CD1 PHE A 15 10.222 4.688 1.978 1.00 0.00 C ATOM 158 CD2 PHE A 15 11.950 4.564 3.616 1.00 0.00 C ATOM 159 CE1 PHE A 15 10.858 5.761 1.383 1.00 0.00 C ATOM 160 CE2 PHE A 15 12.590 5.637 3.026 1.00 0.00 C ATOM 161 CZ PHE A 15 12.045 6.235 1.907 1.00 0.00 C ATOM 0 H PHE A 15 8.742 1.269 5.115 1.00 0.00 H new ATOM 0 HA PHE A 15 9.521 4.039 5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 15 10.811 2.256 4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.551 2.336 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.295 4.320 1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 15 12.383 4.099 4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.428 6.228 0.510 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.516 6.008 3.440 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.546 7.072 1.442 1.00 0.00 H new ATOM 171 N TYR A 16 7.197 3.261 3.261 1.00 0.00 N ATOM 172 CA TYR A 16 6.026 3.779 2.564 1.00 0.00 C ATOM 173 C TYR A 16 4.874 4.016 3.536 1.00 0.00 C ATOM 174 O TYR A 16 4.264 5.086 3.544 1.00 0.00 O ATOM 175 CB TYR A 16 5.589 2.808 1.466 1.00 0.00 C ATOM 176 CG TYR A 16 6.373 2.955 0.181 1.00 0.00 C ATOM 177 CD1 TYR A 16 6.371 4.152 -0.523 1.00 0.00 C ATOM 178 CD2 TYR A 16 7.115 1.896 -0.327 1.00 0.00 C ATOM 179 CE1 TYR A 16 7.085 4.290 -1.698 1.00 0.00 C ATOM 180 CE2 TYR A 16 7.833 2.026 -1.500 1.00 0.00 C ATOM 181 CZ TYR A 16 7.815 3.225 -2.182 1.00 0.00 C ATOM 182 OH TYR A 16 8.529 3.359 -3.351 1.00 0.00 O ATOM 0 H TYR A 16 7.464 2.314 2.991 1.00 0.00 H new ATOM 0 HA TYR A 16 6.297 4.732 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.696 1.787 1.832 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.531 2.963 1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.802 4.989 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.131 0.956 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.071 5.227 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.405 1.193 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 16 8.988 2.517 -3.552 1.00 0.00 H new ATOM 192 N MET A 17 4.582 3.011 4.355 1.00 0.00 N ATOM 193 CA MET A 17 3.505 3.110 5.333 1.00 0.00 C ATOM 194 C MET A 17 3.571 4.437 6.082 1.00 0.00 C ATOM 195 O MET A 17 2.546 5.066 6.341 1.00 0.00 O ATOM 196 CB MET A 17 3.578 1.946 6.324 1.00 0.00 C ATOM 197 CG MET A 17 3.426 0.582 5.671 1.00 0.00 C ATOM 198 SD MET A 17 3.225 -0.745 6.876 1.00 0.00 S ATOM 199 CE MET A 17 1.746 -0.205 7.731 1.00 0.00 C ATOM 0 H MET A 17 5.076 2.119 4.361 1.00 0.00 H new ATOM 0 HA MET A 17 2.556 3.062 4.798 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.533 1.985 6.848 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.798 2.069 7.075 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.564 0.596 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.302 0.379 5.055 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.331 -1.036 8.301 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.995 0.611 8.409 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.010 0.139 7.004 1.00 0.00 H new ATOM 209 N ASP A 18 4.784 4.855 6.429 1.00 0.00 N ATOM 210 CA ASP A 18 4.984 6.108 7.148 1.00 0.00 C ATOM 211 C ASP A 18 4.677 7.304 6.252 1.00 0.00 C ATOM 212 O ASP A 18 4.185 8.332 6.718 1.00 0.00 O ATOM 213 CB ASP A 18 6.419 6.199 7.667 1.00 0.00 C ATOM 214 CG ASP A 18 6.579 5.578 9.041 1.00 0.00 C ATOM 215 OD1 ASP A 18 5.693 5.793 9.895 1.00 0.00 O ATOM 216 OD2 ASP A 18 7.589 4.878 9.263 1.00 0.00 O ATOM 0 H ASP A 18 5.643 4.345 6.224 1.00 0.00 H new ATOM 0 HA ASP A 18 4.298 6.126 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.088 5.700 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.722 7.245 7.707 1.00 0.00 H new ATOM 221 N LYS A 19 4.971 7.163 4.964 1.00 0.00 N ATOM 222 CA LYS A 19 4.727 8.231 4.002 1.00 0.00 C ATOM 223 C LYS A 19 3.231 8.433 3.782 1.00 0.00 C ATOM 224 O LYS A 19 2.762 9.563 3.634 1.00 0.00 O ATOM 225 CB LYS A 19 5.410 7.911 2.670 1.00 0.00 C ATOM 226 CG LYS A 19 6.925 7.850 2.763 1.00 0.00 C ATOM 227 CD LYS A 19 7.580 8.264 1.456 1.00 0.00 C ATOM 228 CE LYS A 19 7.691 7.092 0.493 1.00 0.00 C ATOM 229 NZ LYS A 19 8.339 7.487 -0.789 1.00 0.00 N ATOM 0 H LYS A 19 5.379 6.319 4.562 1.00 0.00 H new ATOM 0 HA LYS A 19 5.145 9.153 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.038 6.955 2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.129 8.667 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.268 8.503 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.234 6.837 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.000 9.062 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.573 8.667 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.266 6.292 0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.697 6.693 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.260 6.707 -1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.867 8.332 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.343 7.698 -0.620 1.00 0.00 H new ATOM 243 N LEU A 20 2.486 7.334 3.763 1.00 0.00 N ATOM 244 CA LEU A 20 1.042 7.391 3.563 1.00 0.00 C ATOM 245 C LEU A 20 0.378 8.255 4.630 1.00 0.00 C ATOM 246 O LEU A 20 -0.366 9.184 4.317 1.00 0.00 O ATOM 247 CB LEU A 20 0.447 5.982 3.589 1.00 0.00 C ATOM 248 CG LEU A 20 0.505 5.204 2.274 1.00 0.00 C ATOM 249 CD1 LEU A 20 0.157 3.742 2.503 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.431 5.823 1.247 1.00 0.00 C ATOM 0 H LEU A 20 2.858 6.392 3.884 1.00 0.00 H new ATOM 0 HA LEU A 20 0.853 7.840 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.967 5.404 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.595 6.055 3.899 1.00 0.00 H new ATOM 0 HG LEU A 20 1.523 5.257 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.204 3.204 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.868 3.304 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.850 3.668 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.377 5.257 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.453 5.801 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.135 6.855 1.061 1.00 0.00 H new ATOM 262 N ASN A 21 0.655 7.944 5.893 1.00 0.00 N ATOM 263 CA ASN A 21 0.086 8.694 7.007 1.00 0.00 C ATOM 264 C ASN A 21 0.373 10.185 6.862 1.00 0.00 C ATOM 265 O ASN A 21 -0.543 11.007 6.847 1.00 0.00 O ATOM 266 CB ASN A 21 0.648 8.181 8.334 1.00 0.00 C ATOM 267 CG ASN A 21 0.302 6.726 8.584 1.00 0.00 C ATOM 268 OD1 ASN A 21 0.246 5.921 7.655 1.00 0.00 O ATOM 269 ND2 ASN A 21 0.068 6.382 9.846 1.00 0.00 N ATOM 0 H ASN A 21 1.269 7.178 6.170 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.994 8.548 6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.732 8.300 8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.259 8.790 9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.169 5.417 10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.126 7.083 10.585 1.00 0.00 H new ATOM 276 N LYS A 22 1.653 10.528 6.756 1.00 0.00 N ATOM 277 CA LYS A 22 2.063 11.919 6.611 1.00 0.00 C ATOM 278 C LYS A 22 1.238 12.621 5.537 1.00 0.00 C ATOM 279 O LYS A 22 1.147 13.848 5.513 1.00 0.00 O ATOM 280 CB LYS A 22 3.551 12.000 6.260 1.00 0.00 C ATOM 281 CG LYS A 22 4.463 11.479 7.356 1.00 0.00 C ATOM 282 CD LYS A 22 5.923 11.777 7.055 1.00 0.00 C ATOM 283 CE LYS A 22 6.501 10.782 6.060 1.00 0.00 C ATOM 284 NZ LYS A 22 7.975 10.638 6.212 1.00 0.00 N ATOM 0 H LYS A 22 2.424 9.861 6.768 1.00 0.00 H new ATOM 0 HA LYS A 22 1.892 12.423 7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.732 11.432 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.809 13.037 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.187 11.934 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.325 10.403 7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.015 12.787 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.500 11.746 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.025 9.811 6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.271 11.107 5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.330 9.952 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.432 11.559 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.194 10.303 7.172 1.00 0.00 H new ATOM 298 N TYR A 23 0.638 11.834 4.651 1.00 0.00 N ATOM 299 CA TYR A 23 -0.179 12.380 3.574 1.00 0.00 C ATOM 300 C TYR A 23 -1.653 12.405 3.967 1.00 0.00 C ATOM 301 O TYR A 23 -2.383 13.335 3.624 1.00 0.00 O ATOM 302 CB TYR A 23 0.006 11.558 2.297 1.00 0.00 C ATOM 303 CG TYR A 23 -0.865 12.016 1.150 1.00 0.00 C ATOM 304 CD1 TYR A 23 -2.152 11.518 0.985 1.00 0.00 C ATOM 305 CD2 TYR A 23 -0.402 12.950 0.230 1.00 0.00 C ATOM 306 CE1 TYR A 23 -2.950 11.933 -0.062 1.00 0.00 C ATOM 307 CE2 TYR A 23 -1.194 13.372 -0.820 1.00 0.00 C ATOM 308 CZ TYR A 23 -2.467 12.861 -0.962 1.00 0.00 C ATOM 309 OH TYR A 23 -3.260 13.279 -2.006 1.00 0.00 O ATOM 0 H TYR A 23 0.702 10.816 4.657 1.00 0.00 H new ATOM 0 HA TYR A 23 0.147 13.404 3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.051 11.608 1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.213 10.512 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.535 10.793 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.594 13.353 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.947 11.534 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.818 14.098 -1.526 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.771 13.934 -2.546 1.00 0.00 H new ATOM 319 N ARG A 24 -2.083 11.376 4.690 1.00 0.00 N ATOM 320 CA ARG A 24 -3.470 11.278 5.130 1.00 0.00 C ATOM 321 C ARG A 24 -3.799 12.377 6.136 1.00 0.00 C ATOM 322 O ARG A 24 -4.932 12.856 6.197 1.00 0.00 O ATOM 323 CB ARG A 24 -3.734 9.906 5.753 1.00 0.00 C ATOM 324 CG ARG A 24 -3.494 9.862 7.253 1.00 0.00 C ATOM 325 CD ARG A 24 -3.723 8.467 7.813 1.00 0.00 C ATOM 326 NE ARG A 24 -3.210 8.332 9.174 1.00 0.00 N ATOM 327 CZ ARG A 24 -3.511 7.317 9.976 1.00 0.00 C ATOM 328 NH1 ARG A 24 -4.318 6.352 9.555 1.00 0.00 N ATOM 329 NH2 ARG A 24 -3.004 7.264 11.201 1.00 0.00 N ATOM 0 H ARG A 24 -1.491 10.599 4.983 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.112 11.403 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.765 9.616 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.094 9.168 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.474 10.179 7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.159 10.568 7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.790 8.243 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.238 7.734 7.169 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.586 9.057 9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.709 6.388 8.614 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.548 5.574 10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.382 8.003 11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.236 6.484 11.816 1.00 0.00 H new ATOM 343 N GLN A 25 -2.803 12.771 6.922 1.00 0.00 N ATOM 344 CA GLN A 25 -2.988 13.812 7.926 1.00 0.00 C ATOM 345 C GLN A 25 -2.796 15.197 7.316 1.00 0.00 C ATOM 346 O GLN A 25 -3.264 16.196 7.861 1.00 0.00 O ATOM 347 CB GLN A 25 -2.011 13.612 9.086 1.00 0.00 C ATOM 348 CG GLN A 25 -0.627 14.182 8.819 1.00 0.00 C ATOM 349 CD GLN A 25 0.267 14.140 10.043 1.00 0.00 C ATOM 350 OE1 GLN A 25 0.735 15.174 10.521 1.00 0.00 O ATOM 351 NE2 GLN A 25 0.509 12.940 10.559 1.00 0.00 N ATOM 0 H GLN A 25 -1.860 12.385 6.883 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.008 13.740 8.304 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.421 14.080 9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.922 12.546 9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.157 13.621 8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.722 15.213 8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.101 12.109 10.131 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.103 12.850 11.383 1.00 0.00 H new ATOM 360 N MET A 26 -2.103 15.247 6.183 1.00 0.00 N ATOM 361 CA MET A 26 -1.850 16.510 5.499 1.00 0.00 C ATOM 362 C MET A 26 -3.043 16.910 4.637 1.00 0.00 C ATOM 363 O MET A 26 -3.563 18.020 4.756 1.00 0.00 O ATOM 364 CB MET A 26 -0.593 16.402 4.633 1.00 0.00 C ATOM 365 CG MET A 26 -0.087 17.743 4.126 1.00 0.00 C ATOM 366 SD MET A 26 1.177 17.572 2.852 1.00 0.00 S ATOM 367 CE MET A 26 2.481 16.762 3.776 1.00 0.00 C ATOM 0 H MET A 26 -1.707 14.429 5.720 1.00 0.00 H new ATOM 0 HA MET A 26 -1.697 17.280 6.255 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.196 15.920 5.211 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.804 15.756 3.780 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.924 18.316 3.727 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.320 18.313 4.961 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.394 16.747 3.180 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.662 17.306 4.703 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.182 15.740 4.007 1.00 0.00 H new ATOM 377 N HIS A 27 -3.472 16.000 3.768 1.00 0.00 N ATOM 378 CA HIS A 27 -4.604 16.259 2.886 1.00 0.00 C ATOM 379 C HIS A 27 -5.923 16.126 3.642 1.00 0.00 C ATOM 380 O HIS A 27 -6.870 16.871 3.394 1.00 0.00 O ATOM 381 CB HIS A 27 -4.583 15.295 1.699 1.00 0.00 C ATOM 382 CG HIS A 27 -3.719 15.758 0.567 1.00 0.00 C ATOM 383 ND1 HIS A 27 -4.226 16.303 -0.593 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.373 15.756 0.423 1.00 0.00 C ATOM 385 CE1 HIS A 27 -3.230 16.615 -1.403 1.00 0.00 C ATOM 386 NE2 HIS A 27 -2.095 16.293 -0.810 1.00 0.00 N ATOM 0 H HIS A 27 -3.053 15.077 3.656 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.519 17.281 2.516 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.231 14.321 2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.601 15.157 1.335 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.652 15.399 1.143 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.328 17.058 -2.383 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.163 16.422 -1.204 1.00 0.00 H new ATOM 395 N GLY A 28 -5.977 15.170 4.565 1.00 0.00 N ATOM 396 CA GLY A 28 -7.184 14.956 5.341 1.00 0.00 C ATOM 397 C GLY A 28 -8.031 13.822 4.797 1.00 0.00 C ATOM 398 O GLY A 28 -9.248 13.952 4.671 1.00 0.00 O ATOM 0 H GLY A 28 -5.206 14.540 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.914 14.740 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.773 15.873 5.351 1.00 0.00 H new ATOM 402 N VAL A 29 -7.385 12.707 4.471 1.00 0.00 N ATOM 403 CA VAL A 29 -8.086 11.546 3.936 1.00 0.00 C ATOM 404 C VAL A 29 -8.136 10.416 4.957 1.00 0.00 C ATOM 405 O VAL A 29 -7.614 10.543 6.065 1.00 0.00 O ATOM 406 CB VAL A 29 -7.416 11.030 2.648 1.00 0.00 C ATOM 407 CG1 VAL A 29 -7.540 12.058 1.533 1.00 0.00 C ATOM 408 CG2 VAL A 29 -5.958 10.686 2.908 1.00 0.00 C ATOM 0 H VAL A 29 -6.377 12.583 4.568 1.00 0.00 H new ATOM 0 HA VAL A 29 -9.101 11.868 3.705 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.929 10.122 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.061 11.676 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.594 12.250 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.054 12.985 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.500 10.323 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.430 11.576 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.898 9.912 3.673 1.00 0.00 H new ATOM 418 N ALA A 30 -8.767 9.310 4.578 1.00 0.00 N ATOM 419 CA ALA A 30 -8.883 8.155 5.460 1.00 0.00 C ATOM 420 C ALA A 30 -8.234 6.923 4.839 1.00 0.00 C ATOM 421 O ALA A 30 -8.731 6.379 3.852 1.00 0.00 O ATOM 422 CB ALA A 30 -10.345 7.880 5.779 1.00 0.00 C ATOM 0 H ALA A 30 -9.206 9.189 3.665 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.357 8.382 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.417 7.015 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.780 8.749 6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.887 7.678 4.855 1.00 0.00 H new ATOM 428 N ILE A 31 -7.122 6.488 5.422 1.00 0.00 N ATOM 429 CA ILE A 31 -6.407 5.319 4.926 1.00 0.00 C ATOM 430 C ILE A 31 -6.795 4.066 5.702 1.00 0.00 C ATOM 431 O ILE A 31 -6.774 4.052 6.933 1.00 0.00 O ATOM 432 CB ILE A 31 -4.881 5.513 5.016 1.00 0.00 C ATOM 433 CG1 ILE A 31 -4.485 6.880 4.454 1.00 0.00 C ATOM 434 CG2 ILE A 31 -4.161 4.399 4.271 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.002 7.017 4.190 1.00 0.00 C ATOM 0 H ILE A 31 -6.697 6.928 6.238 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.689 5.197 3.880 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.585 5.473 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.029 7.054 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.794 7.656 5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.084 4.550 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.423 3.437 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.459 4.411 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.793 8.010 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.452 6.875 5.120 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.690 6.264 3.466 1.00 0.00 H new ATOM 447 N THR A 32 -7.150 3.011 4.974 1.00 0.00 N ATOM 448 CA THR A 32 -7.543 1.752 5.593 1.00 0.00 C ATOM 449 C THR A 32 -6.799 0.577 4.969 1.00 0.00 C ATOM 450 O THR A 32 -6.777 0.422 3.748 1.00 0.00 O ATOM 451 CB THR A 32 -9.059 1.512 5.465 1.00 0.00 C ATOM 452 OG1 THR A 32 -9.767 2.350 6.385 1.00 0.00 O ATOM 453 CG2 THR A 32 -9.401 0.054 5.733 1.00 0.00 C ATOM 0 H THR A 32 -7.173 3.004 3.954 1.00 0.00 H new ATOM 0 HA THR A 32 -7.282 1.824 6.649 1.00 0.00 H new ATOM 0 HB THR A 32 -9.358 1.757 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.730 2.193 6.296 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.477 -0.091 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.884 -0.579 5.012 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.088 -0.214 6.742 1.00 0.00 H new ATOM 461 N TYR A 33 -6.193 -0.249 5.814 1.00 0.00 N ATOM 462 CA TYR A 33 -5.446 -1.410 5.344 1.00 0.00 C ATOM 463 C TYR A 33 -6.267 -2.686 5.504 1.00 0.00 C ATOM 464 O TYR A 33 -6.413 -3.212 6.608 1.00 0.00 O ATOM 465 CB TYR A 33 -4.129 -1.539 6.110 1.00 0.00 C ATOM 466 CG TYR A 33 -3.194 -0.368 5.910 1.00 0.00 C ATOM 467 CD1 TYR A 33 -3.500 0.885 6.427 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.008 -0.513 5.202 1.00 0.00 C ATOM 469 CE1 TYR A 33 -2.650 1.959 6.246 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.151 0.555 5.018 1.00 0.00 C ATOM 471 CZ TYR A 33 -1.476 1.789 5.541 1.00 0.00 C ATOM 472 OH TYR A 33 -0.626 2.856 5.358 1.00 0.00 O ATOM 0 H TYR A 33 -6.204 -0.137 6.828 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.230 -1.268 4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.346 -1.642 7.173 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.625 -2.453 5.797 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.418 1.022 6.980 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.751 -1.477 4.788 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.903 2.926 6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.231 0.424 4.467 1.00 0.00 H new ATOM 0 HH TYR A 33 0.297 2.532 5.296 1.00 0.00 H new ATOM 482 N LYS A 34 -6.801 -3.181 4.392 1.00 0.00 N ATOM 483 CA LYS A 34 -7.606 -4.397 4.405 1.00 0.00 C ATOM 484 C LYS A 34 -6.719 -5.637 4.415 1.00 0.00 C ATOM 485 O LYS A 34 -5.760 -5.731 3.649 1.00 0.00 O ATOM 486 CB LYS A 34 -8.534 -4.431 3.188 1.00 0.00 C ATOM 487 CG LYS A 34 -9.825 -5.195 3.429 1.00 0.00 C ATOM 488 CD LYS A 34 -10.955 -4.667 2.562 1.00 0.00 C ATOM 489 CE LYS A 34 -11.953 -5.762 2.219 1.00 0.00 C ATOM 490 NZ LYS A 34 -13.312 -5.212 1.957 1.00 0.00 N ATOM 0 H LYS A 34 -6.691 -2.758 3.470 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.207 -4.395 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.775 -3.409 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.004 -4.884 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.668 -6.253 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.104 -5.117 4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.466 -3.857 3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.545 -4.247 1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.606 -6.307 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.003 -6.478 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.963 -5.990 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.654 -4.713 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.270 -4.548 1.158 1.00 0.00 H new ATOM 504 N GLU A 35 -7.046 -6.586 5.287 1.00 0.00 N ATOM 505 CA GLU A 35 -6.277 -7.820 5.395 1.00 0.00 C ATOM 506 C GLU A 35 -6.827 -8.888 4.453 1.00 0.00 C ATOM 507 O GLU A 35 -7.894 -9.455 4.694 1.00 0.00 O ATOM 508 CB GLU A 35 -6.299 -8.336 6.836 1.00 0.00 C ATOM 509 CG GLU A 35 -5.690 -9.719 6.996 1.00 0.00 C ATOM 510 CD GLU A 35 -5.736 -10.214 8.429 1.00 0.00 C ATOM 511 OE1 GLU A 35 -5.578 -9.383 9.348 1.00 0.00 O ATOM 512 OE2 GLU A 35 -5.930 -11.430 8.631 1.00 0.00 O ATOM 0 H GLU A 35 -7.837 -6.524 5.928 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.248 -7.603 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.759 -7.635 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.330 -8.359 7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.222 -10.422 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.655 -9.698 6.656 1.00 0.00 H new ATOM 519 N LEU A 36 -6.093 -9.156 3.380 1.00 0.00 N ATOM 520 CA LEU A 36 -6.506 -10.155 2.400 1.00 0.00 C ATOM 521 C LEU A 36 -6.104 -11.557 2.849 1.00 0.00 C ATOM 522 O LEU A 36 -5.498 -11.731 3.906 1.00 0.00 O ATOM 523 CB LEU A 36 -5.886 -9.847 1.036 1.00 0.00 C ATOM 524 CG LEU A 36 -6.050 -8.413 0.532 1.00 0.00 C ATOM 525 CD1 LEU A 36 -5.617 -8.304 -0.921 1.00 0.00 C ATOM 526 CD2 LEU A 36 -7.491 -7.952 0.697 1.00 0.00 C ATOM 0 H LEU A 36 -5.208 -8.696 3.166 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.592 -10.118 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.821 -10.074 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.323 -10.522 0.300 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.410 -7.763 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.741 -7.276 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.570 -8.592 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.229 -8.966 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.590 -6.929 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.150 -8.606 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.767 -7.991 1.751 1.00 0.00 H new ATOM 538 N SER A 37 -6.445 -12.553 2.037 1.00 0.00 N ATOM 539 CA SER A 37 -6.122 -13.939 2.352 1.00 0.00 C ATOM 540 C SER A 37 -4.696 -14.275 1.925 1.00 0.00 C ATOM 541 O SER A 37 -4.022 -13.471 1.279 1.00 0.00 O ATOM 542 CB SER A 37 -7.108 -14.884 1.662 1.00 0.00 C ATOM 543 OG SER A 37 -6.874 -16.230 2.040 1.00 0.00 O ATOM 0 H SER A 37 -6.945 -12.426 1.157 1.00 0.00 H new ATOM 0 HA SER A 37 -6.200 -14.068 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.129 -14.602 1.921 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.015 -14.785 0.580 1.00 0.00 H new ATOM 0 HG SER A 37 -7.518 -16.814 1.587 1.00 0.00 H new ATOM 549 N THR A 38 -4.240 -15.469 2.292 1.00 0.00 N ATOM 550 CA THR A 38 -2.895 -15.912 1.950 1.00 0.00 C ATOM 551 C THR A 38 -2.884 -16.661 0.622 1.00 0.00 C ATOM 552 O THR A 38 -3.851 -17.337 0.272 1.00 0.00 O ATOM 553 CB THR A 38 -2.307 -16.821 3.045 1.00 0.00 C ATOM 554 OG1 THR A 38 -2.736 -16.374 4.336 1.00 0.00 O ATOM 555 CG2 THR A 38 -0.787 -16.828 2.985 1.00 0.00 C ATOM 0 H THR A 38 -4.784 -16.147 2.827 1.00 0.00 H new ATOM 0 HA THR A 38 -2.280 -15.016 1.864 1.00 0.00 H new ATOM 0 HB THR A 38 -2.666 -17.836 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.359 -16.958 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.395 -17.477 3.768 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.463 -17.197 2.012 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.412 -15.815 3.132 1.00 0.00 H new ATOM 563 N SER A 39 -1.783 -16.539 -0.112 1.00 0.00 N ATOM 564 CA SER A 39 -1.647 -17.203 -1.403 1.00 0.00 C ATOM 565 C SER A 39 -0.221 -17.704 -1.610 1.00 0.00 C ATOM 566 O SER A 39 0.736 -17.101 -1.126 1.00 0.00 O ATOM 567 CB SER A 39 -2.034 -16.248 -2.535 1.00 0.00 C ATOM 568 OG SER A 39 -1.075 -15.214 -2.679 1.00 0.00 O ATOM 0 H SER A 39 -0.972 -15.986 0.165 1.00 0.00 H new ATOM 0 HA SER A 39 -2.319 -18.061 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.119 -16.802 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.013 -15.815 -2.331 1.00 0.00 H new ATOM 0 HG SER A 39 -1.475 -14.461 -3.162 1.00 0.00 H new ATOM 574 N GLY A 40 -0.088 -18.812 -2.333 1.00 0.00 N ATOM 575 CA GLY A 40 1.224 -19.376 -2.591 1.00 0.00 C ATOM 576 C GLY A 40 1.308 -20.842 -2.218 1.00 0.00 C ATOM 577 O GLY A 40 0.301 -21.490 -1.929 1.00 0.00 O ATOM 0 H GLY A 40 -0.865 -19.329 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.465 -19.259 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.973 -18.818 -2.029 1.00 0.00 H new ATOM 581 N PRO A 41 2.532 -21.389 -2.222 1.00 0.00 N ATOM 582 CA PRO A 41 2.773 -22.795 -1.884 1.00 0.00 C ATOM 583 C PRO A 41 2.543 -23.084 -0.405 1.00 0.00 C ATOM 584 O PRO A 41 2.384 -22.176 0.412 1.00 0.00 O ATOM 585 CB PRO A 41 4.247 -22.999 -2.246 1.00 0.00 C ATOM 586 CG PRO A 41 4.853 -21.643 -2.145 1.00 0.00 C ATOM 587 CD PRO A 41 3.777 -20.676 -2.556 1.00 0.00 C ATOM 0 HA PRO A 41 2.093 -23.463 -2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.729 -23.700 -1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.355 -23.407 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.191 -21.442 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.724 -21.556 -2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.857 -19.733 -2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.833 -20.441 -3.619 1.00 0.00 H new ATOM 595 N PRO A 42 2.524 -24.377 -0.049 1.00 0.00 N ATOM 596 CA PRO A 42 2.315 -24.814 1.334 1.00 0.00 C ATOM 597 C PRO A 42 3.501 -24.483 2.233 1.00 0.00 C ATOM 598 O PRO A 42 3.328 -24.034 3.366 1.00 0.00 O ATOM 599 CB PRO A 42 2.148 -26.330 1.205 1.00 0.00 C ATOM 600 CG PRO A 42 2.874 -26.686 -0.046 1.00 0.00 C ATOM 601 CD PRO A 42 2.706 -25.511 -0.970 1.00 0.00 C ATOM 0 HA PRO A 42 1.462 -24.315 1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.567 -26.849 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.096 -26.609 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.928 -26.877 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.465 -27.593 -0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.579 -25.374 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.846 -25.637 -1.628 1.00 0.00 H new ATOM 609 N HIS A 43 4.707 -24.707 1.720 1.00 0.00 N ATOM 610 CA HIS A 43 5.923 -24.431 2.477 1.00 0.00 C ATOM 611 C HIS A 43 6.088 -22.933 2.712 1.00 0.00 C ATOM 612 O HIS A 43 6.317 -22.493 3.839 1.00 0.00 O ATOM 613 CB HIS A 43 7.144 -24.980 1.738 1.00 0.00 C ATOM 614 CG HIS A 43 7.228 -24.540 0.309 1.00 0.00 C ATOM 615 ND1 HIS A 43 6.692 -25.264 -0.734 1.00 0.00 N ATOM 616 CD2 HIS A 43 7.789 -23.441 -0.246 1.00 0.00 C ATOM 617 CE1 HIS A 43 6.921 -24.630 -1.871 1.00 0.00 C ATOM 618 NE2 HIS A 43 7.585 -23.520 -1.602 1.00 0.00 N ATOM 0 H HIS A 43 4.868 -25.079 0.784 1.00 0.00 H new ATOM 0 HA HIS A 43 5.840 -24.926 3.445 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.047 -24.664 2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.120 -26.069 1.773 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.302 -22.649 0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.617 -24.963 -2.853 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.896 -22.833 -2.289 1.00 0.00 H new ATOM 627 N ASP A 44 5.970 -22.154 1.642 1.00 0.00 N ATOM 628 CA ASP A 44 6.106 -20.705 1.733 1.00 0.00 C ATOM 629 C ASP A 44 4.753 -20.021 1.562 1.00 0.00 C ATOM 630 O ASP A 44 4.139 -20.094 0.498 1.00 0.00 O ATOM 631 CB ASP A 44 7.086 -20.196 0.674 1.00 0.00 C ATOM 632 CG ASP A 44 7.125 -18.682 0.602 1.00 0.00 C ATOM 633 OD1 ASP A 44 7.663 -18.057 1.540 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.619 -18.123 -0.394 1.00 0.00 O ATOM 0 H ASP A 44 5.781 -22.502 0.702 1.00 0.00 H new ATOM 0 HA ASP A 44 6.494 -20.462 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.085 -20.572 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.804 -20.596 -0.300 1.00 0.00 H new ATOM 639 N ARG A 45 4.294 -19.357 2.618 1.00 0.00 N ATOM 640 CA ARG A 45 3.013 -18.662 2.586 1.00 0.00 C ATOM 641 C ARG A 45 3.215 -17.157 2.436 1.00 0.00 C ATOM 642 O ARG A 45 3.921 -16.533 3.228 1.00 0.00 O ATOM 643 CB ARG A 45 2.217 -18.956 3.858 1.00 0.00 C ATOM 644 CG ARG A 45 1.507 -20.299 3.835 1.00 0.00 C ATOM 645 CD ARG A 45 0.304 -20.278 2.905 1.00 0.00 C ATOM 646 NE ARG A 45 -0.091 -21.621 2.490 1.00 0.00 N ATOM 647 CZ ARG A 45 -1.166 -21.876 1.751 1.00 0.00 C ATOM 648 NH1 ARG A 45 -1.948 -20.884 1.349 1.00 0.00 N ATOM 649 NH2 ARG A 45 -1.459 -23.125 1.414 1.00 0.00 N ATOM 0 H ARG A 45 4.790 -19.286 3.506 1.00 0.00 H new ATOM 0 HA ARG A 45 2.453 -19.024 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.892 -18.926 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.479 -18.167 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.203 -21.074 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.184 -20.558 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.533 -19.793 3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.538 -19.680 2.024 1.00 0.00 H new ATOM 0 HE ARG A 45 0.490 -22.407 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.725 -19.923 1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.772 -21.082 0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.859 -23.890 1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.284 -23.320 0.847 1.00 0.00 H new ATOM 663 N ARG A 46 2.590 -16.580 1.414 1.00 0.00 N ATOM 664 CA ARG A 46 2.703 -15.149 1.159 1.00 0.00 C ATOM 665 C ARG A 46 1.427 -14.421 1.572 1.00 0.00 C ATOM 666 O ARG A 46 0.330 -14.776 1.140 1.00 0.00 O ATOM 667 CB ARG A 46 2.992 -14.894 -0.321 1.00 0.00 C ATOM 668 CG ARG A 46 4.397 -15.289 -0.745 1.00 0.00 C ATOM 669 CD ARG A 46 5.376 -14.139 -0.569 1.00 0.00 C ATOM 670 NE ARG A 46 6.717 -14.486 -1.033 1.00 0.00 N ATOM 671 CZ ARG A 46 7.791 -13.741 -0.798 1.00 0.00 C ATOM 672 NH1 ARG A 46 7.683 -12.614 -0.108 1.00 0.00 N ATOM 673 NH2 ARG A 46 8.978 -14.124 -1.253 1.00 0.00 N ATOM 0 H ARG A 46 2.001 -17.082 0.750 1.00 0.00 H new ATOM 0 HA ARG A 46 3.530 -14.764 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.271 -15.447 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.841 -13.836 -0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.729 -16.144 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.388 -15.604 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.016 -13.269 -1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.418 -13.857 0.483 1.00 0.00 H new ATOM 0 HE ARG A 46 6.835 -15.347 -1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.773 -12.317 0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.510 -12.044 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.065 -14.991 -1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.802 -13.551 -1.072 1.00 0.00 H new ATOM 687 N PHE A 47 1.578 -13.402 2.411 1.00 0.00 N ATOM 688 CA PHE A 47 0.438 -12.625 2.884 1.00 0.00 C ATOM 689 C PHE A 47 0.210 -11.402 2.001 1.00 0.00 C ATOM 690 O PHE A 47 1.136 -10.640 1.723 1.00 0.00 O ATOM 691 CB PHE A 47 0.658 -12.188 4.333 1.00 0.00 C ATOM 692 CG PHE A 47 1.244 -13.264 5.202 1.00 0.00 C ATOM 693 CD1 PHE A 47 0.538 -14.429 5.455 1.00 0.00 C ATOM 694 CD2 PHE A 47 2.500 -13.110 5.766 1.00 0.00 C ATOM 695 CE1 PHE A 47 1.074 -15.422 6.253 1.00 0.00 C ATOM 696 CE2 PHE A 47 3.041 -14.099 6.565 1.00 0.00 C ATOM 697 CZ PHE A 47 2.327 -15.256 6.810 1.00 0.00 C ATOM 0 H PHE A 47 2.479 -13.095 2.778 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.448 -13.258 2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.319 -11.321 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.294 -11.869 4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.443 -14.563 5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.062 -12.207 5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.514 -16.326 6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.022 -13.968 6.998 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.748 -16.029 7.436 1.00 0.00 H new ATOM 707 N THR A 48 -1.031 -11.221 1.560 1.00 0.00 N ATOM 708 CA THR A 48 -1.383 -10.092 0.707 1.00 0.00 C ATOM 709 C THR A 48 -2.095 -9.004 1.502 1.00 0.00 C ATOM 710 O THR A 48 -2.825 -9.290 2.451 1.00 0.00 O ATOM 711 CB THR A 48 -2.284 -10.531 -0.462 1.00 0.00 C ATOM 712 OG1 THR A 48 -1.726 -11.683 -1.105 1.00 0.00 O ATOM 713 CG2 THR A 48 -2.442 -9.407 -1.475 1.00 0.00 C ATOM 0 H THR A 48 -1.810 -11.842 1.780 1.00 0.00 H new ATOM 0 HA THR A 48 -0.450 -9.695 0.307 1.00 0.00 H new ATOM 0 HB THR A 48 -3.267 -10.779 -0.061 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.306 -11.957 -1.846 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.082 -9.740 -2.292 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.893 -8.541 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.464 -9.133 -1.870 1.00 0.00 H new ATOM 721 N PHE A 49 -1.880 -7.753 1.107 1.00 0.00 N ATOM 722 CA PHE A 49 -2.502 -6.620 1.783 1.00 0.00 C ATOM 723 C PHE A 49 -2.805 -5.497 0.796 1.00 0.00 C ATOM 724 O PHE A 49 -2.188 -5.407 -0.265 1.00 0.00 O ATOM 725 CB PHE A 49 -1.591 -6.102 2.898 1.00 0.00 C ATOM 726 CG PHE A 49 -1.822 -6.774 4.222 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.294 -8.030 4.477 1.00 0.00 C ATOM 728 CD2 PHE A 49 -2.566 -6.150 5.210 1.00 0.00 C ATOM 729 CE1 PHE A 49 -1.506 -8.650 5.694 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.781 -6.766 6.429 1.00 0.00 C ATOM 731 CZ PHE A 49 -2.249 -8.018 6.671 1.00 0.00 C ATOM 0 H PHE A 49 -1.280 -7.498 0.322 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.441 -6.960 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.552 -6.246 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.744 -5.029 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.711 -8.529 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.983 -5.171 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.090 -9.629 5.881 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.364 -6.269 7.191 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.414 -8.501 7.623 1.00 0.00 H new ATOM 741 N GLN A 50 -3.760 -4.645 1.153 1.00 0.00 N ATOM 742 CA GLN A 50 -4.146 -3.529 0.298 1.00 0.00 C ATOM 743 C GLN A 50 -4.534 -2.312 1.133 1.00 0.00 C ATOM 744 O GLN A 50 -4.938 -2.443 2.289 1.00 0.00 O ATOM 745 CB GLN A 50 -5.310 -3.932 -0.608 1.00 0.00 C ATOM 746 CG GLN A 50 -6.677 -3.661 0.000 1.00 0.00 C ATOM 747 CD GLN A 50 -7.814 -4.093 -0.905 1.00 0.00 C ATOM 748 OE1 GLN A 50 -8.558 -5.022 -0.587 1.00 0.00 O ATOM 749 NE2 GLN A 50 -7.956 -3.419 -2.041 1.00 0.00 N ATOM 0 H GLN A 50 -4.281 -4.706 2.028 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.288 -3.264 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.228 -3.393 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.229 -4.994 -0.839 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.757 -4.185 0.953 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.771 -2.596 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.317 -2.656 -2.265 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.704 -3.664 -2.689 1.00 0.00 H new ATOM 758 N VAL A 51 -4.408 -1.129 0.540 1.00 0.00 N ATOM 759 CA VAL A 51 -4.746 0.111 1.229 1.00 0.00 C ATOM 760 C VAL A 51 -5.911 0.819 0.545 1.00 0.00 C ATOM 761 O VAL A 51 -6.125 0.665 -0.658 1.00 0.00 O ATOM 762 CB VAL A 51 -3.541 1.067 1.287 1.00 0.00 C ATOM 763 CG1 VAL A 51 -3.928 2.375 1.959 1.00 0.00 C ATOM 764 CG2 VAL A 51 -2.375 0.411 2.011 1.00 0.00 C ATOM 0 H VAL A 51 -4.074 -1.003 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.034 -0.159 2.245 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.227 1.290 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.063 3.038 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.729 2.851 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.269 2.175 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.532 1.101 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.675 0.157 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.082 -0.496 1.482 1.00 0.00 H new ATOM 774 N LEU A 52 -6.660 1.596 1.320 1.00 0.00 N ATOM 775 CA LEU A 52 -7.804 2.329 0.789 1.00 0.00 C ATOM 776 C LEU A 52 -7.762 3.791 1.224 1.00 0.00 C ATOM 777 O LEU A 52 -7.888 4.099 2.410 1.00 0.00 O ATOM 778 CB LEU A 52 -9.110 1.684 1.255 1.00 0.00 C ATOM 779 CG LEU A 52 -9.447 0.327 0.634 1.00 0.00 C ATOM 780 CD1 LEU A 52 -8.868 -0.802 1.472 1.00 0.00 C ATOM 781 CD2 LEU A 52 -10.953 0.167 0.488 1.00 0.00 C ATOM 0 H LEU A 52 -6.496 1.735 2.317 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.756 2.290 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.067 1.565 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.928 2.372 1.042 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.999 0.282 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.118 -1.759 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.784 -0.697 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.286 -0.760 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.174 -0.804 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.423 0.233 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.342 0.957 -0.155 1.00 0.00 H new ATOM 793 N ILE A 53 -7.587 4.686 0.258 1.00 0.00 N ATOM 794 CA ILE A 53 -7.533 6.114 0.541 1.00 0.00 C ATOM 795 C ILE A 53 -8.673 6.855 -0.149 1.00 0.00 C ATOM 796 O ILE A 53 -8.813 6.800 -1.371 1.00 0.00 O ATOM 797 CB ILE A 53 -6.193 6.727 0.094 1.00 0.00 C ATOM 798 CG1 ILE A 53 -5.027 5.845 0.548 1.00 0.00 C ATOM 799 CG2 ILE A 53 -6.044 8.136 0.646 1.00 0.00 C ATOM 800 CD1 ILE A 53 -3.822 5.921 -0.363 1.00 0.00 C ATOM 0 H ILE A 53 -7.480 4.447 -0.728 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.631 6.225 1.621 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.181 6.782 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.730 6.139 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.365 4.810 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.092 8.555 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.859 8.759 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.074 8.105 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.035 5.271 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.103 5.599 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.458 6.948 -0.400 1.00 0.00 H new ATOM 812 N ASP A 54 -9.484 7.550 0.641 1.00 0.00 N ATOM 813 CA ASP A 54 -10.611 8.305 0.106 1.00 0.00 C ATOM 814 C ASP A 54 -11.603 7.380 -0.591 1.00 0.00 C ATOM 815 O ASP A 54 -12.054 7.662 -1.701 1.00 0.00 O ATOM 816 CB ASP A 54 -10.119 9.374 -0.870 1.00 0.00 C ATOM 817 CG ASP A 54 -11.100 10.520 -1.017 1.00 0.00 C ATOM 818 OD1 ASP A 54 -11.737 10.890 -0.008 1.00 0.00 O ATOM 819 OD2 ASP A 54 -11.230 11.049 -2.141 1.00 0.00 O ATOM 0 H ASP A 54 -9.382 7.606 1.654 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.119 8.791 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.160 9.762 -0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.947 8.919 -1.846 1.00 0.00 H new ATOM 824 N GLU A 55 -11.938 6.275 0.067 1.00 0.00 N ATOM 825 CA GLU A 55 -12.875 5.308 -0.492 1.00 0.00 C ATOM 826 C GLU A 55 -12.361 4.754 -1.817 1.00 0.00 C ATOM 827 O GLU A 55 -13.141 4.343 -2.677 1.00 0.00 O ATOM 828 CB GLU A 55 -14.248 5.953 -0.694 1.00 0.00 C ATOM 829 CG GLU A 55 -14.927 6.359 0.603 1.00 0.00 C ATOM 830 CD GLU A 55 -16.429 6.509 0.453 1.00 0.00 C ATOM 831 OE1 GLU A 55 -16.877 7.586 0.009 1.00 0.00 O ATOM 832 OE2 GLU A 55 -17.156 5.547 0.780 1.00 0.00 O ATOM 0 H GLU A 55 -11.575 6.027 0.987 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.969 4.483 0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.137 6.833 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.893 5.255 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.715 5.613 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.504 7.302 0.950 1.00 0.00 H new ATOM 839 N LYS A 56 -11.042 4.749 -1.977 1.00 0.00 N ATOM 840 CA LYS A 56 -10.420 4.246 -3.196 1.00 0.00 C ATOM 841 C LYS A 56 -9.791 2.876 -2.962 1.00 0.00 C ATOM 842 O LYS A 56 -9.199 2.627 -1.913 1.00 0.00 O ATOM 843 CB LYS A 56 -9.357 5.228 -3.694 1.00 0.00 C ATOM 844 CG LYS A 56 -8.866 4.932 -5.100 1.00 0.00 C ATOM 845 CD LYS A 56 -7.926 6.015 -5.602 1.00 0.00 C ATOM 846 CE LYS A 56 -7.197 5.580 -6.864 1.00 0.00 C ATOM 847 NZ LYS A 56 -6.699 6.745 -7.647 1.00 0.00 N ATOM 0 H LYS A 56 -10.382 5.088 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.197 4.145 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.766 6.238 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.508 5.209 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.354 3.970 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.719 4.848 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.492 6.925 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.200 6.256 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.358 4.938 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.868 4.986 -7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.208 6.406 -8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.502 7.345 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.039 7.298 -7.064 1.00 0.00 H new ATOM 861 N GLU A 57 -9.923 1.993 -3.947 1.00 0.00 N ATOM 862 CA GLU A 57 -9.367 0.649 -3.846 1.00 0.00 C ATOM 863 C GLU A 57 -8.034 0.556 -4.583 1.00 0.00 C ATOM 864 O GLU A 57 -7.987 0.598 -5.812 1.00 0.00 O ATOM 865 CB GLU A 57 -10.349 -0.378 -4.414 1.00 0.00 C ATOM 866 CG GLU A 57 -11.323 -0.924 -3.384 1.00 0.00 C ATOM 867 CD GLU A 57 -12.071 -2.147 -3.879 1.00 0.00 C ATOM 868 OE1 GLU A 57 -12.670 -2.074 -4.972 1.00 0.00 O ATOM 869 OE2 GLU A 57 -12.056 -3.176 -3.172 1.00 0.00 O ATOM 0 H GLU A 57 -10.410 2.184 -4.823 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.196 0.432 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.912 0.081 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.786 -1.206 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.779 -1.179 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.040 -0.147 -3.119 1.00 0.00 H new ATOM 876 N PHE A 58 -6.952 0.429 -3.821 1.00 0.00 N ATOM 877 CA PHE A 58 -5.617 0.332 -4.400 1.00 0.00 C ATOM 878 C PHE A 58 -5.265 -1.120 -4.714 1.00 0.00 C ATOM 879 O PHE A 58 -5.830 -2.058 -4.151 1.00 0.00 O ATOM 880 CB PHE A 58 -4.579 0.925 -3.446 1.00 0.00 C ATOM 881 CG PHE A 58 -4.501 2.424 -3.502 1.00 0.00 C ATOM 882 CD1 PHE A 58 -5.399 3.205 -2.792 1.00 0.00 C ATOM 883 CD2 PHE A 58 -3.530 3.053 -4.266 1.00 0.00 C ATOM 884 CE1 PHE A 58 -5.329 4.585 -2.842 1.00 0.00 C ATOM 885 CE2 PHE A 58 -3.456 4.431 -4.319 1.00 0.00 C ATOM 886 CZ PHE A 58 -4.357 5.199 -3.607 1.00 0.00 C ATOM 0 H PHE A 58 -6.974 0.391 -2.802 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.610 0.899 -5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.817 0.619 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.600 0.509 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.162 2.730 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.823 2.459 -4.826 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.034 5.182 -2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.694 4.908 -4.917 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.301 6.277 -3.649 1.00 0.00 H new ATOM 896 N PRO A 59 -4.308 -1.310 -5.634 1.00 0.00 N ATOM 897 CA PRO A 59 -3.858 -2.644 -6.044 1.00 0.00 C ATOM 898 C PRO A 59 -3.079 -3.356 -4.944 1.00 0.00 C ATOM 899 O PRO A 59 -1.925 -3.024 -4.674 1.00 0.00 O ATOM 900 CB PRO A 59 -2.952 -2.360 -7.244 1.00 0.00 C ATOM 901 CG PRO A 59 -2.469 -0.967 -7.032 1.00 0.00 C ATOM 902 CD PRO A 59 -3.592 -0.239 -6.346 1.00 0.00 C ATOM 0 HA PRO A 59 -4.695 -3.304 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.122 -3.065 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.498 -2.451 -8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.566 -0.956 -6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.218 -0.492 -7.981 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.218 0.520 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.238 0.269 -7.062 1.00 0.00 H new ATOM 910 N GLU A 60 -3.716 -4.337 -4.313 1.00 0.00 N ATOM 911 CA GLU A 60 -3.080 -5.096 -3.242 1.00 0.00 C ATOM 912 C GLU A 60 -1.677 -5.537 -3.647 1.00 0.00 C ATOM 913 O GLU A 60 -1.252 -5.328 -4.782 1.00 0.00 O ATOM 914 CB GLU A 60 -3.927 -6.318 -2.880 1.00 0.00 C ATOM 915 CG GLU A 60 -4.161 -7.263 -4.047 1.00 0.00 C ATOM 916 CD GLU A 60 -5.313 -6.826 -4.930 1.00 0.00 C ATOM 917 OE1 GLU A 60 -5.084 -6.002 -5.840 1.00 0.00 O ATOM 918 OE2 GLU A 60 -6.445 -7.307 -4.711 1.00 0.00 O ATOM 0 H GLU A 60 -4.671 -4.625 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.000 -4.447 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.437 -6.864 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.890 -5.981 -2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.253 -7.326 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.361 -8.264 -3.665 1.00 0.00 H new ATOM 925 N ALA A 61 -0.961 -6.148 -2.708 1.00 0.00 N ATOM 926 CA ALA A 61 0.393 -6.620 -2.966 1.00 0.00 C ATOM 927 C ALA A 61 0.753 -7.785 -2.050 1.00 0.00 C ATOM 928 O ALA A 61 0.177 -7.942 -0.973 1.00 0.00 O ATOM 929 CB ALA A 61 1.390 -5.484 -2.794 1.00 0.00 C ATOM 0 H ALA A 61 -1.297 -6.327 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 61 0.437 -6.975 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.397 -5.851 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.153 -4.683 -3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.335 -5.103 -1.774 1.00 0.00 H new ATOM 935 N LYS A 62 1.707 -8.601 -2.484 1.00 0.00 N ATOM 936 CA LYS A 62 2.145 -9.752 -1.704 1.00 0.00 C ATOM 937 C LYS A 62 3.364 -9.403 -0.856 1.00 0.00 C ATOM 938 O LYS A 62 4.133 -8.506 -1.197 1.00 0.00 O ATOM 939 CB LYS A 62 2.472 -10.927 -2.628 1.00 0.00 C ATOM 940 CG LYS A 62 1.271 -11.451 -3.395 1.00 0.00 C ATOM 941 CD LYS A 62 1.691 -12.180 -4.660 1.00 0.00 C ATOM 942 CE LYS A 62 0.554 -13.016 -5.226 1.00 0.00 C ATOM 943 NZ LYS A 62 1.056 -14.173 -6.018 1.00 0.00 N ATOM 0 H LYS A 62 2.193 -8.486 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 62 1.331 -10.038 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.239 -10.617 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.895 -11.738 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.698 -12.125 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.613 -10.621 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.018 -11.456 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.544 -12.823 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.071 -13.379 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.077 -12.390 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.250 -14.717 -6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.632 -13.827 -6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.637 -14.784 -5.410 1.00 0.00 H new ATOM 957 N GLY A 63 3.534 -10.120 0.251 1.00 0.00 N ATOM 958 CA GLY A 63 4.663 -9.871 1.129 1.00 0.00 C ATOM 959 C GLY A 63 5.018 -11.079 1.973 1.00 0.00 C ATOM 960 O GLY A 63 4.135 -11.802 2.436 1.00 0.00 O ATOM 0 H GLY A 63 2.911 -10.868 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.528 -9.582 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.432 -9.030 1.783 1.00 0.00 H new ATOM 964 N ARG A 64 6.313 -11.300 2.172 1.00 0.00 N ATOM 965 CA ARG A 64 6.782 -12.431 2.964 1.00 0.00 C ATOM 966 C ARG A 64 6.077 -12.478 4.316 1.00 0.00 C ATOM 967 O ARG A 64 5.421 -13.464 4.651 1.00 0.00 O ATOM 968 CB ARG A 64 8.296 -12.344 3.168 1.00 0.00 C ATOM 969 CG ARG A 64 8.900 -13.597 3.782 1.00 0.00 C ATOM 970 CD ARG A 64 10.400 -13.450 3.983 1.00 0.00 C ATOM 971 NE ARG A 64 11.073 -14.745 4.046 1.00 0.00 N ATOM 972 CZ ARG A 64 12.360 -14.919 3.767 1.00 0.00 C ATOM 973 NH1 ARG A 64 13.109 -13.886 3.408 1.00 0.00 N ATOM 974 NH2 ARG A 64 12.900 -16.128 3.847 1.00 0.00 N ATOM 0 H ARG A 64 7.056 -10.711 1.796 1.00 0.00 H new ATOM 0 HA ARG A 64 6.547 -13.346 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.773 -12.154 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.520 -11.491 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.422 -13.801 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.700 -14.453 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.819 -12.863 3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.590 -12.897 4.903 1.00 0.00 H new ATOM 0 HE ARG A 64 10.525 -15.560 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.697 -12.955 3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.097 -14.022 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.327 -16.925 4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.888 -16.260 3.632 1.00 0.00 H new ATOM 988 N SER A 65 6.219 -11.405 5.089 1.00 0.00 N ATOM 989 CA SER A 65 5.599 -11.326 6.406 1.00 0.00 C ATOM 990 C SER A 65 4.402 -10.381 6.388 1.00 0.00 C ATOM 991 O SER A 65 4.329 -9.468 5.564 1.00 0.00 O ATOM 992 CB SER A 65 6.619 -10.855 7.445 1.00 0.00 C ATOM 993 OG SER A 65 7.557 -11.876 7.738 1.00 0.00 O ATOM 0 H SER A 65 6.757 -10.580 4.826 1.00 0.00 H new ATOM 0 HA SER A 65 5.249 -12.322 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.141 -9.973 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.102 -10.558 8.358 1.00 0.00 H new ATOM 0 HG SER A 65 8.199 -11.550 8.403 1.00 0.00 H new ATOM 999 N LYS A 66 3.464 -10.606 7.302 1.00 0.00 N ATOM 1000 CA LYS A 66 2.269 -9.775 7.393 1.00 0.00 C ATOM 1001 C LYS A 66 2.619 -8.299 7.236 1.00 0.00 C ATOM 1002 O LYS A 66 1.970 -7.575 6.481 1.00 0.00 O ATOM 1003 CB LYS A 66 1.566 -10.003 8.733 1.00 0.00 C ATOM 1004 CG LYS A 66 0.867 -11.348 8.832 1.00 0.00 C ATOM 1005 CD LYS A 66 -0.416 -11.371 8.019 1.00 0.00 C ATOM 1006 CE LYS A 66 -1.132 -12.708 8.145 1.00 0.00 C ATOM 1007 NZ LYS A 66 -1.546 -12.985 9.548 1.00 0.00 N ATOM 0 H LYS A 66 3.508 -11.357 7.991 1.00 0.00 H new ATOM 0 HA LYS A 66 1.597 -10.059 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.299 -9.924 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.834 -9.210 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.536 -12.133 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.641 -11.566 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.075 -10.571 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.188 -11.177 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.010 -12.712 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.476 -13.506 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.213 -13.783 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.708 -13.224 10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.006 -12.142 9.947 1.00 0.00 H new ATOM 1021 N GLN A 67 3.649 -7.860 7.952 1.00 0.00 N ATOM 1022 CA GLN A 67 4.085 -6.470 7.890 1.00 0.00 C ATOM 1023 C GLN A 67 4.686 -6.148 6.525 1.00 0.00 C ATOM 1024 O GLN A 67 4.392 -5.107 5.938 1.00 0.00 O ATOM 1025 CB GLN A 67 5.109 -6.185 8.990 1.00 0.00 C ATOM 1026 CG GLN A 67 4.480 -5.826 10.328 1.00 0.00 C ATOM 1027 CD GLN A 67 5.373 -4.939 11.173 1.00 0.00 C ATOM 1028 OE1 GLN A 67 6.220 -5.425 11.922 1.00 0.00 O ATOM 1029 NE2 GLN A 67 5.187 -3.629 11.056 1.00 0.00 N ATOM 0 H GLN A 67 4.197 -8.446 8.581 1.00 0.00 H new ATOM 0 HA GLN A 67 3.212 -5.835 8.042 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.744 -7.061 9.120 1.00 0.00 H new ATOM 0 HB3 GLN A 67 5.755 -5.367 8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.531 -5.320 10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.258 -6.741 10.878 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.473 -3.270 10.422 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.758 -2.982 11.600 1.00 0.00 H new ATOM 1038 N GLU A 68 5.528 -7.048 6.027 1.00 0.00 N ATOM 1039 CA GLU A 68 6.170 -6.857 4.732 1.00 0.00 C ATOM 1040 C GLU A 68 5.131 -6.627 3.639 1.00 0.00 C ATOM 1041 O GLU A 68 5.363 -5.869 2.697 1.00 0.00 O ATOM 1042 CB GLU A 68 7.034 -8.072 4.383 1.00 0.00 C ATOM 1043 CG GLU A 68 8.189 -7.748 3.451 1.00 0.00 C ATOM 1044 CD GLU A 68 8.861 -6.432 3.789 1.00 0.00 C ATOM 1045 OE1 GLU A 68 9.207 -6.230 4.972 1.00 0.00 O ATOM 1046 OE2 GLU A 68 9.040 -5.604 2.871 1.00 0.00 O ATOM 0 H GLU A 68 5.781 -7.915 6.500 1.00 0.00 H new ATOM 0 HA GLU A 68 6.806 -5.974 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.430 -8.502 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.406 -8.833 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.925 -8.550 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.823 -7.712 2.425 1.00 0.00 H new ATOM 1053 N ALA A 69 3.985 -7.287 3.770 1.00 0.00 N ATOM 1054 CA ALA A 69 2.910 -7.154 2.795 1.00 0.00 C ATOM 1055 C ALA A 69 2.351 -5.735 2.785 1.00 0.00 C ATOM 1056 O ALA A 69 2.178 -5.134 1.725 1.00 0.00 O ATOM 1057 CB ALA A 69 1.804 -8.157 3.089 1.00 0.00 C ATOM 0 H ALA A 69 3.777 -7.920 4.543 1.00 0.00 H new ATOM 0 HA ALA A 69 3.321 -7.362 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.008 -8.047 2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.207 -9.168 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.404 -7.975 4.087 1.00 0.00 H new ATOM 1063 N ARG A 70 2.071 -5.206 3.972 1.00 0.00 N ATOM 1064 CA ARG A 70 1.530 -3.858 4.099 1.00 0.00 C ATOM 1065 C ARG A 70 2.441 -2.840 3.419 1.00 0.00 C ATOM 1066 O ARG A 70 1.980 -1.992 2.656 1.00 0.00 O ATOM 1067 CB ARG A 70 1.351 -3.494 5.574 1.00 0.00 C ATOM 1068 CG ARG A 70 0.034 -3.972 6.164 1.00 0.00 C ATOM 1069 CD ARG A 70 -0.348 -3.168 7.397 1.00 0.00 C ATOM 1070 NE ARG A 70 -1.696 -3.485 7.861 1.00 0.00 N ATOM 1071 CZ ARG A 70 -2.118 -3.263 9.101 1.00 0.00 C ATOM 1072 NH1 ARG A 70 -1.301 -2.725 9.996 1.00 0.00 N ATOM 1073 NH2 ARG A 70 -3.359 -3.578 9.447 1.00 0.00 N ATOM 0 H ARG A 70 2.210 -5.690 4.859 1.00 0.00 H new ATOM 0 HA ARG A 70 0.558 -3.836 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.173 -3.922 6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.417 -2.411 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.753 -3.888 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.113 -5.027 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.367 -3.368 8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.284 -2.104 7.170 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.349 -3.900 7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.346 -2.481 9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.627 -2.555 10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.990 -3.991 8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.682 -3.407 10.399 1.00 0.00 H new ATOM 1087 N ASN A 71 3.736 -2.931 3.703 1.00 0.00 N ATOM 1088 CA ASN A 71 4.712 -2.017 3.120 1.00 0.00 C ATOM 1089 C ASN A 71 4.663 -2.068 1.596 1.00 0.00 C ATOM 1090 O ASN A 71 4.748 -1.039 0.927 1.00 0.00 O ATOM 1091 CB ASN A 71 6.120 -2.362 3.608 1.00 0.00 C ATOM 1092 CG ASN A 71 7.185 -1.500 2.959 1.00 0.00 C ATOM 1093 OD1 ASN A 71 7.868 -1.931 2.030 1.00 0.00 O ATOM 1094 ND2 ASN A 71 7.331 -0.273 3.447 1.00 0.00 N ATOM 0 H ASN A 71 4.134 -3.628 4.333 1.00 0.00 H new ATOM 0 HA ASN A 71 4.462 -1.006 3.440 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.167 -2.239 4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.328 -3.411 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.031 0.354 3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.743 0.042 4.218 1.00 0.00 H new ATOM 1101 N ALA A 72 4.525 -3.274 1.054 1.00 0.00 N ATOM 1102 CA ALA A 72 4.462 -3.460 -0.390 1.00 0.00 C ATOM 1103 C ALA A 72 3.211 -2.811 -0.973 1.00 0.00 C ATOM 1104 O ALA A 72 3.289 -2.032 -1.922 1.00 0.00 O ATOM 1105 CB ALA A 72 4.499 -4.942 -0.734 1.00 0.00 C ATOM 0 H ALA A 72 4.455 -4.137 1.594 1.00 0.00 H new ATOM 0 HA ALA A 72 5.332 -2.974 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.451 -5.066 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.424 -5.380 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.648 -5.444 -0.274 1.00 0.00 H new ATOM 1111 N ALA A 73 2.058 -3.139 -0.399 1.00 0.00 N ATOM 1112 CA ALA A 73 0.790 -2.586 -0.861 1.00 0.00 C ATOM 1113 C ALA A 73 0.818 -1.062 -0.847 1.00 0.00 C ATOM 1114 O ALA A 73 0.237 -0.413 -1.716 1.00 0.00 O ATOM 1115 CB ALA A 73 -0.355 -3.103 -0.003 1.00 0.00 C ATOM 0 H ALA A 73 1.976 -3.785 0.386 1.00 0.00 H new ATOM 0 HA ALA A 73 0.634 -2.911 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.295 -2.682 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.396 -4.190 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.195 -2.808 1.034 1.00 0.00 H new ATOM 1121 N ALA A 74 1.497 -0.496 0.145 1.00 0.00 N ATOM 1122 CA ALA A 74 1.602 0.953 0.271 1.00 0.00 C ATOM 1123 C ALA A 74 2.458 1.540 -0.846 1.00 0.00 C ATOM 1124 O ALA A 74 2.194 2.640 -1.332 1.00 0.00 O ATOM 1125 CB ALA A 74 2.176 1.324 1.630 1.00 0.00 C ATOM 0 H ALA A 74 1.983 -1.019 0.874 1.00 0.00 H new ATOM 0 HA ALA A 74 0.600 1.375 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.249 2.409 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.523 0.945 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.168 0.885 1.738 1.00 0.00 H new ATOM 1131 N LYS A 75 3.486 0.801 -1.248 1.00 0.00 N ATOM 1132 CA LYS A 75 4.382 1.248 -2.308 1.00 0.00 C ATOM 1133 C LYS A 75 3.596 1.641 -3.555 1.00 0.00 C ATOM 1134 O LYS A 75 3.817 2.708 -4.129 1.00 0.00 O ATOM 1135 CB LYS A 75 5.388 0.146 -2.652 1.00 0.00 C ATOM 1136 CG LYS A 75 6.240 0.459 -3.870 1.00 0.00 C ATOM 1137 CD LYS A 75 7.355 -0.558 -4.047 1.00 0.00 C ATOM 1138 CE LYS A 75 7.838 -0.609 -5.488 1.00 0.00 C ATOM 1139 NZ LYS A 75 8.532 0.647 -5.885 1.00 0.00 N ATOM 0 H LYS A 75 3.720 -0.111 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 75 4.921 2.125 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.041 -0.019 -1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.849 -0.785 -2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.612 0.471 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.668 1.456 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.188 -0.304 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.001 -1.544 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.515 -1.454 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.989 -0.780 -6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.846 0.573 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.878 1.450 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.357 0.797 -5.270 1.00 0.00 H new ATOM 1153 N LEU A 76 2.678 0.774 -3.968 1.00 0.00 N ATOM 1154 CA LEU A 76 1.858 1.032 -5.146 1.00 0.00 C ATOM 1155 C LEU A 76 0.961 2.246 -4.931 1.00 0.00 C ATOM 1156 O LEU A 76 0.737 3.035 -5.848 1.00 0.00 O ATOM 1157 CB LEU A 76 1.005 -0.194 -5.476 1.00 0.00 C ATOM 1158 CG LEU A 76 1.728 -1.542 -5.453 1.00 0.00 C ATOM 1159 CD1 LEU A 76 0.727 -2.686 -5.483 1.00 0.00 C ATOM 1160 CD2 LEU A 76 2.697 -1.647 -6.622 1.00 0.00 C ATOM 0 H LEU A 76 2.483 -0.113 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 76 2.524 1.240 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.177 -0.237 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.571 -0.054 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 76 2.298 -1.611 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.260 -3.637 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.074 -2.621 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.128 -2.622 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.203 -2.612 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.148 -1.556 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.436 -0.848 -6.555 1.00 0.00 H new ATOM 1172 N ALA A 77 0.453 2.391 -3.711 1.00 0.00 N ATOM 1173 CA ALA A 77 -0.415 3.512 -3.374 1.00 0.00 C ATOM 1174 C ALA A 77 0.335 4.837 -3.472 1.00 0.00 C ATOM 1175 O ALA A 77 -0.054 5.727 -4.228 1.00 0.00 O ATOM 1176 CB ALA A 77 -0.991 3.332 -1.977 1.00 0.00 C ATOM 0 H ALA A 77 0.628 1.746 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.234 3.534 -4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.637 4.177 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.570 2.409 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.178 3.281 -1.252 1.00 0.00 H new ATOM 1182 N VAL A 78 1.411 4.960 -2.702 1.00 0.00 N ATOM 1183 CA VAL A 78 2.216 6.176 -2.703 1.00 0.00 C ATOM 1184 C VAL A 78 2.646 6.550 -4.117 1.00 0.00 C ATOM 1185 O VAL A 78 2.604 7.719 -4.501 1.00 0.00 O ATOM 1186 CB VAL A 78 3.469 6.020 -1.822 1.00 0.00 C ATOM 1187 CG1 VAL A 78 4.285 7.304 -1.820 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.078 5.626 -0.405 1.00 0.00 C ATOM 0 H VAL A 78 1.746 4.233 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 78 1.590 6.970 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 78 4.088 5.225 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.166 7.174 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.596 7.539 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.678 8.120 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.976 5.520 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.438 6.397 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.540 4.678 -0.426 1.00 0.00 H new ATOM 1198 N ASP A 79 3.059 5.549 -4.888 1.00 0.00 N ATOM 1199 CA ASP A 79 3.495 5.772 -6.261 1.00 0.00 C ATOM 1200 C ASP A 79 2.428 6.518 -7.057 1.00 0.00 C ATOM 1201 O ASP A 79 2.743 7.349 -7.909 1.00 0.00 O ATOM 1202 CB ASP A 79 3.816 4.439 -6.939 1.00 0.00 C ATOM 1203 CG ASP A 79 4.762 4.600 -8.114 1.00 0.00 C ATOM 1204 OD1 ASP A 79 4.423 5.356 -9.048 1.00 0.00 O ATOM 1205 OD2 ASP A 79 5.839 3.969 -8.099 1.00 0.00 O ATOM 0 H ASP A 79 3.101 4.576 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 79 4.396 6.384 -6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.259 3.761 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.890 3.977 -7.282 1.00 0.00 H new ATOM 1210 N ILE A 80 1.166 6.214 -6.773 1.00 0.00 N ATOM 1211 CA ILE A 80 0.053 6.856 -7.461 1.00 0.00 C ATOM 1212 C ILE A 80 -0.180 8.267 -6.934 1.00 0.00 C ATOM 1213 O ILE A 80 -0.170 9.236 -7.694 1.00 0.00 O ATOM 1214 CB ILE A 80 -1.246 6.042 -7.311 1.00 0.00 C ATOM 1215 CG1 ILE A 80 -1.101 4.678 -7.989 1.00 0.00 C ATOM 1216 CG2 ILE A 80 -2.422 6.809 -7.898 1.00 0.00 C ATOM 1217 CD1 ILE A 80 -2.025 3.622 -7.425 1.00 0.00 C ATOM 0 H ILE A 80 0.889 5.527 -6.071 1.00 0.00 H new ATOM 0 HA ILE A 80 0.321 6.906 -8.516 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.435 5.880 -6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.297 4.789 -9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.070 4.339 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.333 6.221 -7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.535 7.758 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.241 6.998 -8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.868 2.681 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.814 3.483 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.060 3.940 -7.550 1.00 0.00 H new ATOM 1229 N LEU A 81 -0.388 8.377 -5.626 1.00 0.00 N ATOM 1230 CA LEU A 81 -0.622 9.671 -4.995 1.00 0.00 C ATOM 1231 C LEU A 81 0.281 10.742 -5.597 1.00 0.00 C ATOM 1232 O LEU A 81 -0.193 11.775 -6.069 1.00 0.00 O ATOM 1233 CB LEU A 81 -0.383 9.575 -3.487 1.00 0.00 C ATOM 1234 CG LEU A 81 -1.143 8.468 -2.756 1.00 0.00 C ATOM 1235 CD1 LEU A 81 -0.677 8.364 -1.312 1.00 0.00 C ATOM 1236 CD2 LEU A 81 -2.643 8.720 -2.817 1.00 0.00 C ATOM 0 H LEU A 81 -0.399 7.586 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.659 9.953 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.684 9.429 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.650 10.531 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.933 7.521 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.229 7.571 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.389 8.136 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.856 9.311 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.168 7.922 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.871 9.676 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.966 8.743 -3.858 1.00 0.00 H new ATOM 1248 N ASP A 82 1.585 10.487 -5.580 1.00 0.00 N ATOM 1249 CA ASP A 82 2.555 11.428 -6.127 1.00 0.00 C ATOM 1250 C ASP A 82 2.010 12.102 -7.383 1.00 0.00 C ATOM 1251 O ASP A 82 2.152 13.311 -7.561 1.00 0.00 O ATOM 1252 CB ASP A 82 3.868 10.711 -6.447 1.00 0.00 C ATOM 1253 CG ASP A 82 5.023 11.675 -6.634 1.00 0.00 C ATOM 1254 OD1 ASP A 82 5.043 12.386 -7.661 1.00 0.00 O ATOM 1255 OD2 ASP A 82 5.907 11.719 -5.753 1.00 0.00 O ATOM 0 H ASP A 82 1.994 9.636 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 82 2.743 12.196 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.105 10.016 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.743 10.118 -7.353 1.00 0.00 H new ATOM 1260 N ASN A 83 1.387 11.311 -8.250 1.00 0.00 N ATOM 1261 CA ASN A 83 0.822 11.831 -9.490 1.00 0.00 C ATOM 1262 C ASN A 83 -0.615 12.297 -9.279 1.00 0.00 C ATOM 1263 O ASN A 83 -1.066 13.254 -9.908 1.00 0.00 O ATOM 1264 CB ASN A 83 0.868 10.761 -10.583 1.00 0.00 C ATOM 1265 CG ASN A 83 2.128 9.921 -10.517 1.00 0.00 C ATOM 1266 OD1 ASN A 83 2.161 8.881 -9.858 1.00 0.00 O ATOM 1267 ND2 ASN A 83 3.174 10.368 -11.203 1.00 0.00 N ATOM 0 H ASN A 83 1.260 10.308 -8.117 1.00 0.00 H new ATOM 0 HA ASN A 83 1.420 12.687 -9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.003 10.112 -10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.805 11.240 -11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.049 9.844 -11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.102 11.235 -11.735 1.00 0.00 H new ATOM 1274 N GLU A 84 -1.329 11.615 -8.388 1.00 0.00 N ATOM 1275 CA GLU A 84 -2.715 11.960 -8.095 1.00 0.00 C ATOM 1276 C GLU A 84 -3.508 12.166 -9.382 1.00 0.00 C ATOM 1277 O GLU A 84 -4.509 12.881 -9.399 1.00 0.00 O ATOM 1278 CB GLU A 84 -2.778 13.225 -7.237 1.00 0.00 C ATOM 1279 CG GLU A 84 -3.943 13.241 -6.261 1.00 0.00 C ATOM 1280 CD GLU A 84 -4.383 14.647 -5.901 1.00 0.00 C ATOM 1281 OE1 GLU A 84 -5.115 15.262 -6.704 1.00 0.00 O ATOM 1282 OE2 GLU A 84 -3.995 15.132 -4.818 1.00 0.00 O ATOM 0 H GLU A 84 -0.970 10.821 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.160 11.132 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.846 13.323 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.851 14.094 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.784 12.701 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.659 12.710 -5.353 1.00 0.00 H new ATOM 1289 N ASN A 85 -3.052 11.534 -10.459 1.00 0.00 N ATOM 1290 CA ASN A 85 -3.718 11.648 -11.752 1.00 0.00 C ATOM 1291 C ASN A 85 -4.767 10.553 -11.921 1.00 0.00 C ATOM 1292 O ASN A 85 -5.953 10.836 -12.096 1.00 0.00 O ATOM 1293 CB ASN A 85 -2.694 11.568 -12.885 1.00 0.00 C ATOM 1294 CG ASN A 85 -3.340 11.296 -14.230 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -4.201 12.050 -14.682 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -2.925 10.212 -14.876 1.00 0.00 N ATOM 0 H ASN A 85 -2.224 10.938 -10.462 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.218 12.616 -11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.138 12.504 -12.935 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.974 10.780 -12.665 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.323 9.976 -15.785 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.208 9.615 -14.463 1.00 0.00 H new ATOM 1303 N LYS A 86 -4.323 9.302 -11.868 1.00 0.00 N ATOM 1304 CA LYS A 86 -5.222 8.164 -12.014 1.00 0.00 C ATOM 1305 C LYS A 86 -6.585 8.464 -11.399 1.00 0.00 C ATOM 1306 O LYS A 86 -6.704 8.642 -10.186 1.00 0.00 O ATOM 1307 CB LYS A 86 -4.617 6.922 -11.356 1.00 0.00 C ATOM 1308 CG LYS A 86 -5.261 5.621 -11.803 1.00 0.00 C ATOM 1309 CD LYS A 86 -4.878 4.467 -10.892 1.00 0.00 C ATOM 1310 CE LYS A 86 -5.888 3.333 -10.975 1.00 0.00 C ATOM 1311 NZ LYS A 86 -7.014 3.521 -10.018 1.00 0.00 N ATOM 0 H LYS A 86 -3.345 9.051 -11.725 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.357 7.975 -13.079 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.551 6.885 -11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.712 7.012 -10.274 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.345 5.735 -11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.956 5.396 -12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.890 4.097 -11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.810 4.821 -9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.281 3.270 -11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.389 2.386 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.680 2.727 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.642 3.556 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.506 4.412 -10.232 1.00 0.00 H new ATOM 1325 N VAL A 87 -7.611 8.518 -12.242 1.00 0.00 N ATOM 1326 CA VAL A 87 -8.966 8.795 -11.780 1.00 0.00 C ATOM 1327 C VAL A 87 -9.797 7.518 -11.716 1.00 0.00 C ATOM 1328 O VAL A 87 -9.591 6.591 -12.501 1.00 0.00 O ATOM 1329 CB VAL A 87 -9.676 9.809 -12.697 1.00 0.00 C ATOM 1330 CG1 VAL A 87 -11.100 10.054 -12.222 1.00 0.00 C ATOM 1331 CG2 VAL A 87 -8.893 11.113 -12.754 1.00 0.00 C ATOM 0 H VAL A 87 -7.530 8.374 -13.248 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.878 9.219 -10.780 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.721 9.393 -13.704 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.585 10.773 -12.882 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.655 9.116 -12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -11.082 10.449 -11.206 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.408 11.818 -13.406 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.816 11.535 -11.752 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.894 10.921 -13.145 1.00 0.00 H new ATOM 1341 N ASP A 88 -10.736 7.475 -10.778 1.00 0.00 N ATOM 1342 CA ASP A 88 -11.599 6.312 -10.612 1.00 0.00 C ATOM 1343 C ASP A 88 -12.991 6.730 -10.149 1.00 0.00 C ATOM 1344 O ASP A 88 -13.140 7.419 -9.138 1.00 0.00 O ATOM 1345 CB ASP A 88 -10.986 5.335 -9.607 1.00 0.00 C ATOM 1346 CG ASP A 88 -11.123 5.814 -8.176 1.00 0.00 C ATOM 1347 OD1 ASP A 88 -10.793 6.989 -7.909 1.00 0.00 O ATOM 1348 OD2 ASP A 88 -11.560 5.015 -7.322 1.00 0.00 O ATOM 0 H ASP A 88 -10.919 8.233 -10.120 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.691 5.817 -11.579 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.468 4.363 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.931 5.193 -9.840 1.00 0.00 H new ATOM 1353 N CYS A 89 -14.007 6.311 -10.895 1.00 0.00 N ATOM 1354 CA CYS A 89 -15.388 6.644 -10.562 1.00 0.00 C ATOM 1355 C CYS A 89 -16.002 5.578 -9.660 1.00 0.00 C ATOM 1356 O CYS A 89 -16.074 4.405 -10.027 1.00 0.00 O ATOM 1357 CB CYS A 89 -16.220 6.792 -11.837 1.00 0.00 C ATOM 1358 SG CYS A 89 -16.319 5.285 -12.832 1.00 0.00 S ATOM 0 H CYS A 89 -13.901 5.741 -11.734 1.00 0.00 H new ATOM 0 HA CYS A 89 -15.388 7.592 -10.025 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -17.229 7.103 -11.566 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -15.794 7.589 -12.446 1.00 0.00 H new ATOM 0 HG CYS A 89 -16.297 4.247 -12.050 1.00 0.00 H new ATOM 1364 N HIS A 90 -16.442 5.994 -8.477 1.00 0.00 N ATOM 1365 CA HIS A 90 -17.049 5.075 -7.521 1.00 0.00 C ATOM 1366 C HIS A 90 -18.296 5.689 -6.892 1.00 0.00 C ATOM 1367 O HIS A 90 -18.205 6.600 -6.068 1.00 0.00 O ATOM 1368 CB HIS A 90 -16.044 4.703 -6.430 1.00 0.00 C ATOM 1369 CG HIS A 90 -16.560 3.681 -5.464 1.00 0.00 C ATOM 1370 ND1 HIS A 90 -16.243 3.687 -4.122 1.00 0.00 N ATOM 1371 CD2 HIS A 90 -17.375 2.617 -5.652 1.00 0.00 C ATOM 1372 CE1 HIS A 90 -16.841 2.670 -3.527 1.00 0.00 C ATOM 1373 NE2 HIS A 90 -17.534 2.005 -4.433 1.00 0.00 N ATOM 0 H HIS A 90 -16.390 6.961 -8.157 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.342 4.173 -8.058 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -15.136 4.323 -6.898 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -15.767 5.603 -5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -17.818 2.307 -6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -16.774 2.424 -2.477 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -18.096 1.172 -4.256 1.00 0.00 H new ATOM 1382 N THR A 91 -19.462 5.186 -7.287 1.00 0.00 N ATOM 1383 CA THR A 91 -20.727 5.687 -6.764 1.00 0.00 C ATOM 1384 C THR A 91 -21.440 4.623 -5.939 1.00 0.00 C ATOM 1385 O THR A 91 -22.314 3.916 -6.441 1.00 0.00 O ATOM 1386 CB THR A 91 -21.659 6.151 -7.899 1.00 0.00 C ATOM 1387 OG1 THR A 91 -20.960 7.044 -8.773 1.00 0.00 O ATOM 1388 CG2 THR A 91 -22.891 6.844 -7.337 1.00 0.00 C ATOM 0 H THR A 91 -19.556 4.432 -7.967 1.00 0.00 H new ATOM 0 HA THR A 91 -20.491 6.539 -6.127 1.00 0.00 H new ATOM 0 HB THR A 91 -21.979 5.272 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 91 -21.559 7.333 -9.493 1.00 0.00 H new ATOM 0 HG21 THR A 91 -23.535 7.163 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.437 6.152 -6.695 1.00 0.00 H new ATOM 0 HG23 THR A 91 -22.586 7.714 -6.756 1.00 0.00 H new ATOM 1396 N SER A 92 -21.063 4.513 -4.669 1.00 0.00 N ATOM 1397 CA SER A 92 -21.665 3.532 -3.774 1.00 0.00 C ATOM 1398 C SER A 92 -21.478 3.940 -2.316 1.00 0.00 C ATOM 1399 O SER A 92 -20.353 4.086 -1.840 1.00 0.00 O ATOM 1400 CB SER A 92 -21.053 2.150 -4.012 1.00 0.00 C ATOM 1401 OG SER A 92 -21.801 1.141 -3.355 1.00 0.00 O ATOM 0 H SER A 92 -20.343 5.092 -4.237 1.00 0.00 H new ATOM 0 HA SER A 92 -22.733 3.490 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 92 -21.019 1.943 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 92 -20.024 2.137 -3.652 1.00 0.00 H new ATOM 0 HG SER A 92 -21.391 0.267 -3.524 1.00 0.00 H new ATOM 1407 N GLY A 93 -22.591 4.122 -1.611 1.00 0.00 N ATOM 1408 CA GLY A 93 -22.529 4.511 -0.215 1.00 0.00 C ATOM 1409 C GLY A 93 -23.285 3.556 0.687 1.00 0.00 C ATOM 1410 O GLY A 93 -24.433 3.800 1.062 1.00 0.00 O ATOM 0 H GLY A 93 -23.534 4.007 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.487 4.556 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -22.939 5.514 -0.102 1.00 0.00 H new ATOM 1414 N PRO A 94 -22.637 2.439 1.049 1.00 0.00 N ATOM 1415 CA PRO A 94 -23.238 1.421 1.916 1.00 0.00 C ATOM 1416 C PRO A 94 -23.403 1.907 3.352 1.00 0.00 C ATOM 1417 O PRO A 94 -23.047 3.039 3.680 1.00 0.00 O ATOM 1418 CB PRO A 94 -22.235 0.266 1.855 1.00 0.00 C ATOM 1419 CG PRO A 94 -20.934 0.912 1.521 1.00 0.00 C ATOM 1420 CD PRO A 94 -21.268 2.084 0.640 1.00 0.00 C ATOM 0 HA PRO A 94 -24.242 1.150 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -22.182 -0.263 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -22.519 -0.466 1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -20.417 1.237 2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.272 0.214 1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.576 2.912 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -21.220 1.819 -0.416 1.00 0.00 H new ATOM 1428 N SER A 95 -23.947 1.044 4.205 1.00 0.00 N ATOM 1429 CA SER A 95 -24.163 1.387 5.606 1.00 0.00 C ATOM 1430 C SER A 95 -22.968 2.152 6.168 1.00 0.00 C ATOM 1431 O SER A 95 -21.831 1.950 5.742 1.00 0.00 O ATOM 1432 CB SER A 95 -24.408 0.123 6.431 1.00 0.00 C ATOM 1433 OG SER A 95 -25.411 -0.685 5.840 1.00 0.00 O ATOM 0 H SER A 95 -24.246 0.103 3.950 1.00 0.00 H new ATOM 0 HA SER A 95 -25.043 2.027 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 95 -23.482 -0.445 6.515 1.00 0.00 H new ATOM 0 HB3 SER A 95 -24.707 0.397 7.443 1.00 0.00 H new ATOM 0 HG SER A 95 -25.548 -1.488 6.385 1.00 0.00 H new ATOM 1439 N SER A 96 -23.235 3.030 7.129 1.00 0.00 N ATOM 1440 CA SER A 96 -22.184 3.829 7.749 1.00 0.00 C ATOM 1441 C SER A 96 -21.833 3.286 9.131 1.00 0.00 C ATOM 1442 O SER A 96 -20.660 3.169 9.485 1.00 0.00 O ATOM 1443 CB SER A 96 -22.622 5.290 7.859 1.00 0.00 C ATOM 1444 OG SER A 96 -23.758 5.421 8.696 1.00 0.00 O ATOM 0 H SER A 96 -24.170 3.206 7.496 1.00 0.00 H new ATOM 0 HA SER A 96 -21.297 3.770 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 96 -21.803 5.889 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 96 -22.850 5.680 6.867 1.00 0.00 H new ATOM 0 HG SER A 96 -24.017 6.365 8.751 1.00 0.00 H new ATOM 1450 N GLY A 97 -22.860 2.956 9.909 1.00 0.00 N ATOM 1451 CA GLY A 97 -22.640 2.430 11.244 1.00 0.00 C ATOM 1452 C GLY A 97 -23.770 2.772 12.194 1.00 0.00 C ATOM 1453 O GLY A 97 -24.919 2.393 11.966 1.00 0.00 O ATOM 0 H GLY A 97 -23.840 3.043 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -22.529 1.347 11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -21.705 2.827 11.638 1.00 0.00 H new TER 1457 GLY A 97