USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 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 24 ASN : amide:sc= -6.85! C(o=-23!,f=-21!) USER MOD Set 1.2: A 26 HIS : no HD1:sc= -16.6! C(o=-23!,f=-23!) USER MOD Single : A 1 SER N :NH3+ -108:sc= 0.116 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -4.91! K(o=-4.9!,f=-2.7) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0359 (180deg=-0.448) USER MOD Single : A 19 MET CE :methyl -167:sc= -0.0477 (180deg=-0.375) USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0977) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.69) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 34 THR OG1 : rot -96:sc= 0.912 USER MOD Single : A 36 ASN : amide:sc= -4.06 K(o=-4.1,f=-8.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -58:sc= 1.06 USER MOD Single : A 48 SER OG : rot 180:sc= -0.4 USER MOD Single : A 51 THR OG1 : rot -47:sc= 1.03 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= -2.11 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.777 K(o=-0.78,f=0.034) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= -2.78! (180deg=-3.23!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= -1.43 (180deg=-1.55!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.764 (180deg=0.531) USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0229) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 88:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.271 0.723 4.648 1.00 0.00 N ATOM 2 CA SER A 1 5.039 0.234 3.307 1.00 0.00 C ATOM 3 C SER A 1 5.702 -1.122 3.135 1.00 0.00 C ATOM 4 O SER A 1 6.594 -1.491 3.898 1.00 0.00 O ATOM 5 CB SER A 1 5.605 1.226 2.291 1.00 0.00 C ATOM 6 OG SER A 1 7.026 1.192 2.344 1.00 0.00 O ATOM 0 H1 SER A 1 4.387 0.672 5.194 1.00 0.00 H new ATOM 0 H2 SER A 1 5.997 0.139 5.110 1.00 0.00 H new ATOM 0 H3 SER A 1 5.596 1.710 4.606 1.00 0.00 H new ATOM 0 HA SER A 1 3.967 0.129 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.261 0.974 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.245 2.232 2.508 1.00 0.00 H new ATOM 0 HG SER A 1 7.393 1.826 1.693 1.00 0.00 H new ATOM 12 N CYS A 2 5.259 -1.848 2.125 1.00 0.00 N ATOM 13 CA CYS A 2 5.799 -3.181 1.826 1.00 0.00 C ATOM 14 C CYS A 2 6.201 -3.926 3.099 1.00 0.00 C ATOM 15 O CYS A 2 7.314 -3.763 3.595 1.00 0.00 O ATOM 16 CB CYS A 2 7.006 -3.066 0.895 1.00 0.00 C ATOM 17 SG CYS A 2 6.462 -2.470 -0.726 1.00 0.00 S ATOM 0 H CYS A 2 4.522 -1.543 1.489 1.00 0.00 H new ATOM 0 HA CYS A 2 5.011 -3.751 1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 2 7.741 -2.382 1.318 1.00 0.00 H new ATOM 0 HB3 CYS A 2 7.494 -4.035 0.793 1.00 0.00 H new ATOM 22 N TYR A 3 5.287 -4.747 3.620 1.00 0.00 N ATOM 23 CA TYR A 3 5.555 -5.514 4.841 1.00 0.00 C ATOM 24 C TYR A 3 5.181 -6.978 4.638 1.00 0.00 C ATOM 25 O TYR A 3 4.167 -7.286 4.010 1.00 0.00 O ATOM 26 CB TYR A 3 4.756 -4.932 6.011 1.00 0.00 C ATOM 27 CG TYR A 3 3.278 -5.062 5.734 1.00 0.00 C ATOM 28 CD1 TYR A 3 2.624 -6.271 6.000 1.00 0.00 C ATOM 29 CD2 TYR A 3 2.562 -3.978 5.211 1.00 0.00 C ATOM 30 CE1 TYR A 3 1.256 -6.397 5.744 1.00 0.00 C ATOM 31 CE2 TYR A 3 1.191 -4.105 4.957 1.00 0.00 C ATOM 32 CZ TYR A 3 0.538 -5.314 5.223 1.00 0.00 C ATOM 33 OH TYR A 3 -0.814 -5.438 4.973 1.00 0.00 O ATOM 0 H TYR A 3 4.361 -4.898 3.220 1.00 0.00 H new ATOM 0 HA TYR A 3 6.619 -5.450 5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.010 -5.455 6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.017 -3.884 6.157 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.177 -7.107 6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.066 -3.046 5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.752 -7.330 5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.637 -3.269 4.556 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.159 -4.594 4.614 1.00 0.00 H new ATOM 43 N PHE A 4 6.019 -7.880 5.151 1.00 0.00 N ATOM 44 CA PHE A 4 5.794 -9.315 4.998 1.00 0.00 C ATOM 45 C PHE A 4 4.982 -9.894 6.152 1.00 0.00 C ATOM 46 O PHE A 4 5.002 -9.383 7.272 1.00 0.00 O ATOM 47 CB PHE A 4 7.141 -10.035 4.950 1.00 0.00 C ATOM 48 CG PHE A 4 7.991 -9.449 3.852 1.00 0.00 C ATOM 49 CD1 PHE A 4 7.864 -9.921 2.542 1.00 0.00 C ATOM 50 CD2 PHE A 4 8.911 -8.436 4.148 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.656 -9.378 1.524 1.00 0.00 C ATOM 52 CE2 PHE A 4 9.703 -7.892 3.130 1.00 0.00 C ATOM 53 CZ PHE A 4 9.576 -8.363 1.818 1.00 0.00 C ATOM 0 H PHE A 4 6.860 -7.640 5.676 1.00 0.00 H new ATOM 0 HA PHE A 4 5.234 -9.462 4.074 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.651 -9.938 5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.989 -11.100 4.776 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.155 -10.704 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.010 -8.075 5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.558 -9.741 0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.412 -7.109 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.187 -7.944 1.032 1.00 0.00 H new ATOM 63 N ILE A 5 4.285 -10.987 5.858 1.00 0.00 N ATOM 64 CA ILE A 5 3.469 -11.692 6.850 1.00 0.00 C ATOM 65 C ILE A 5 3.889 -13.168 6.888 1.00 0.00 C ATOM 66 O ILE A 5 3.855 -13.835 5.855 1.00 0.00 O ATOM 67 CB ILE A 5 1.991 -11.605 6.450 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.532 -10.146 6.448 1.00 0.00 C ATOM 69 CG2 ILE A 5 1.135 -12.378 7.449 1.00 0.00 C ATOM 70 CD1 ILE A 5 0.150 -10.020 5.776 1.00 0.00 C ATOM 0 H ILE A 5 4.267 -11.410 4.930 1.00 0.00 H new ATOM 0 HA ILE A 5 3.612 -11.237 7.830 1.00 0.00 H new ATOM 0 HB ILE A 5 1.879 -12.031 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.482 -9.772 7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.259 -9.530 5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.087 -12.311 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.443 -13.424 7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.263 -11.952 8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.164 -8.976 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.212 -10.374 4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.577 -10.620 6.323 1.00 0.00 H new ATOM 82 N PRO A 6 4.288 -13.710 8.021 1.00 0.00 N ATOM 83 CA PRO A 6 4.708 -15.141 8.086 1.00 0.00 C ATOM 84 C PRO A 6 3.530 -16.099 8.017 1.00 0.00 C ATOM 85 O PRO A 6 2.548 -15.930 8.734 1.00 0.00 O ATOM 86 CB PRO A 6 5.430 -15.254 9.441 1.00 0.00 C ATOM 87 CG PRO A 6 4.847 -14.162 10.293 1.00 0.00 C ATOM 88 CD PRO A 6 4.385 -13.049 9.340 1.00 0.00 C ATOM 0 HA PRO A 6 5.337 -15.414 7.239 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.269 -16.233 9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.507 -15.130 9.325 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.010 -14.537 10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.589 -13.784 10.997 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.425 -12.635 9.648 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.096 -12.223 9.319 1.00 0.00 H new ATOM 96 N ASN A 7 3.648 -17.101 7.146 1.00 0.00 N ATOM 97 CA ASN A 7 2.593 -18.095 6.988 1.00 0.00 C ATOM 98 C ASN A 7 2.408 -18.860 8.294 1.00 0.00 C ATOM 99 O ASN A 7 2.623 -20.070 8.355 1.00 0.00 O ATOM 100 CB ASN A 7 2.954 -19.074 5.870 1.00 0.00 C ATOM 101 CG ASN A 7 3.145 -18.319 4.560 1.00 0.00 C ATOM 102 OD1 ASN A 7 3.518 -18.913 3.547 1.00 0.00 O ATOM 103 ND2 ASN A 7 2.916 -17.037 4.518 1.00 0.00 N ATOM 0 H ASN A 7 4.459 -17.243 6.544 1.00 0.00 H new ATOM 0 HA ASN A 7 1.665 -17.586 6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.867 -19.611 6.126 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.166 -19.819 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.045 -16.524 3.646 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.607 -16.546 5.357 1.00 0.00 H new ATOM 110 N GLU A 8 2.020 -18.135 9.336 1.00 0.00 N ATOM 111 CA GLU A 8 1.809 -18.726 10.647 1.00 0.00 C ATOM 112 C GLU A 8 0.961 -17.799 11.508 1.00 0.00 C ATOM 113 O GLU A 8 0.069 -18.248 12.230 1.00 0.00 O ATOM 114 CB GLU A 8 3.155 -18.980 11.329 1.00 0.00 C ATOM 115 CG GLU A 8 2.920 -19.708 12.655 1.00 0.00 C ATOM 116 CD GLU A 8 4.255 -20.048 13.308 1.00 0.00 C ATOM 117 OE1 GLU A 8 5.263 -19.971 12.625 1.00 0.00 O ATOM 118 OE2 GLU A 8 4.251 -20.387 14.480 1.00 0.00 O ATOM 0 H GLU A 8 1.845 -17.131 9.295 1.00 0.00 H new ATOM 0 HA GLU A 8 1.286 -19.675 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.797 -19.577 10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.670 -18.036 11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.328 -19.082 13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.348 -20.620 12.482 1.00 0.00 H new ATOM 125 N GLY A 9 1.228 -16.495 11.412 1.00 0.00 N ATOM 126 CA GLY A 9 0.474 -15.495 12.174 1.00 0.00 C ATOM 127 C GLY A 9 -0.325 -14.606 11.237 1.00 0.00 C ATOM 128 O GLY A 9 -0.638 -13.463 11.568 1.00 0.00 O ATOM 0 H GLY A 9 1.959 -16.106 10.816 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.197 -15.992 12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.159 -14.888 12.766 1.00 0.00 H new ATOM 132 N VAL A 10 -0.659 -15.143 10.068 1.00 0.00 N ATOM 133 CA VAL A 10 -1.431 -14.392 9.094 1.00 0.00 C ATOM 134 C VAL A 10 -2.769 -13.970 9.705 1.00 0.00 C ATOM 135 O VAL A 10 -3.297 -14.665 10.574 1.00 0.00 O ATOM 136 CB VAL A 10 -1.680 -15.246 7.848 1.00 0.00 C ATOM 137 CG1 VAL A 10 -0.363 -15.498 7.082 1.00 0.00 C ATOM 138 CG2 VAL A 10 -2.310 -16.580 8.247 1.00 0.00 C ATOM 0 H VAL A 10 -0.408 -16.088 9.777 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.869 -13.503 8.809 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.363 -14.705 7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.565 -16.107 6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.067 -14.545 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.341 -16.020 7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.484 -17.182 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.638 -17.113 8.919 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.258 -16.398 8.752 1.00 0.00 H new ATOM 148 N PRO A 11 -3.331 -12.851 9.297 1.00 0.00 N ATOM 149 CA PRO A 11 -4.630 -12.372 9.863 1.00 0.00 C ATOM 150 C PRO A 11 -5.795 -13.264 9.450 1.00 0.00 C ATOM 151 O PRO A 11 -6.865 -13.226 10.058 1.00 0.00 O ATOM 152 CB PRO A 11 -4.775 -10.942 9.316 1.00 0.00 C ATOM 153 CG PRO A 11 -3.971 -10.934 8.057 1.00 0.00 C ATOM 154 CD PRO A 11 -2.815 -11.925 8.268 1.00 0.00 C ATOM 0 HA PRO A 11 -4.641 -12.398 10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.819 -10.697 9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.403 -10.206 10.028 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.583 -11.228 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.591 -9.934 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.564 -12.450 7.346 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.910 -11.419 8.603 1.00 0.00 H new ATOM 162 N GLY A 12 -5.576 -14.065 8.413 1.00 0.00 N ATOM 163 CA GLY A 12 -6.612 -14.977 7.906 1.00 0.00 C ATOM 164 C GLY A 12 -6.050 -16.375 7.660 1.00 0.00 C ATOM 165 O GLY A 12 -6.000 -16.842 6.523 1.00 0.00 O ATOM 0 H GLY A 12 -4.694 -14.106 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.432 -15.033 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.026 -14.581 6.979 1.00 0.00 H new ATOM 169 N ASP A 13 -5.633 -17.035 8.735 1.00 0.00 N ATOM 170 CA ASP A 13 -5.073 -18.381 8.629 1.00 0.00 C ATOM 171 C ASP A 13 -6.161 -19.402 8.302 1.00 0.00 C ATOM 172 O ASP A 13 -6.184 -20.497 8.865 1.00 0.00 O ATOM 173 CB ASP A 13 -4.393 -18.764 9.949 1.00 0.00 C ATOM 174 CG ASP A 13 -5.420 -18.777 11.079 1.00 0.00 C ATOM 175 OD1 ASP A 13 -6.602 -18.710 10.782 1.00 0.00 O ATOM 176 OD2 ASP A 13 -5.009 -18.849 12.226 1.00 0.00 O ATOM 0 H ASP A 13 -5.671 -16.665 9.685 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.341 -18.384 7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.928 -19.746 9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.597 -18.055 10.177 1.00 0.00 H new ATOM 181 N SER A 14 -7.055 -19.042 7.390 1.00 0.00 N ATOM 182 CA SER A 14 -8.136 -19.941 7.000 1.00 0.00 C ATOM 183 C SER A 14 -7.582 -21.225 6.384 1.00 0.00 C ATOM 184 O SER A 14 -8.043 -22.322 6.696 1.00 0.00 O ATOM 185 CB SER A 14 -9.052 -19.246 5.993 1.00 0.00 C ATOM 186 OG SER A 14 -10.115 -20.121 5.639 1.00 0.00 O ATOM 0 H SER A 14 -7.055 -18.142 6.910 1.00 0.00 H new ATOM 0 HA SER A 14 -8.703 -20.200 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.451 -18.327 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.487 -18.965 5.104 1.00 0.00 H new ATOM 0 HG SER A 14 -10.704 -19.676 4.994 1.00 0.00 H new ATOM 192 N THR A 15 -6.591 -21.079 5.503 1.00 0.00 N ATOM 193 CA THR A 15 -5.978 -22.232 4.833 1.00 0.00 C ATOM 194 C THR A 15 -4.600 -22.536 5.415 1.00 0.00 C ATOM 195 O THR A 15 -3.950 -23.497 5.007 1.00 0.00 O ATOM 196 CB THR A 15 -5.842 -21.952 3.332 1.00 0.00 C ATOM 197 OG1 THR A 15 -5.342 -20.635 3.144 1.00 0.00 O ATOM 198 CG2 THR A 15 -7.207 -22.083 2.656 1.00 0.00 C ATOM 0 H THR A 15 -6.195 -20.178 5.236 1.00 0.00 H new ATOM 0 HA THR A 15 -6.623 -23.096 4.992 1.00 0.00 H new ATOM 0 HB THR A 15 -5.153 -22.672 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.252 -20.453 2.185 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.105 -21.883 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.589 -23.093 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.901 -21.366 3.095 1.00 0.00 H new ATOM 206 N ARG A 16 -4.163 -21.712 6.360 1.00 0.00 N ATOM 207 CA ARG A 16 -2.858 -21.897 6.996 1.00 0.00 C ATOM 208 C ARG A 16 -1.731 -21.697 5.987 1.00 0.00 C ATOM 209 O ARG A 16 -0.550 -21.692 6.337 1.00 0.00 O ATOM 210 CB ARG A 16 -2.774 -23.303 7.605 1.00 0.00 C ATOM 211 CG ARG A 16 -1.603 -23.384 8.585 1.00 0.00 C ATOM 212 CD ARG A 16 -1.589 -24.766 9.227 1.00 0.00 C ATOM 213 NE ARG A 16 -0.589 -24.819 10.288 1.00 0.00 N ATOM 214 CZ ARG A 16 -0.257 -25.968 10.865 1.00 0.00 C ATOM 215 NH1 ARG A 16 -0.835 -27.076 10.490 1.00 0.00 N ATOM 216 NH2 ARG A 16 0.645 -25.991 11.809 1.00 0.00 N ATOM 0 H ARG A 16 -4.690 -20.910 6.704 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.747 -21.153 7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.705 -23.541 8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.648 -24.043 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.663 -23.201 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.699 -22.614 9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.574 -24.996 9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.371 -25.523 8.474 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.136 -23.957 10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.541 -27.059 9.754 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.581 -27.959 10.933 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.096 -25.125 12.105 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.898 -26.875 12.251 1.00 0.00 H new ATOM 230 N LYS A 17 -2.108 -21.525 4.731 1.00 0.00 N ATOM 231 CA LYS A 17 -1.136 -21.320 3.651 1.00 0.00 C ATOM 232 C LYS A 17 -1.078 -19.843 3.252 1.00 0.00 C ATOM 233 O LYS A 17 -0.646 -18.997 4.036 1.00 0.00 O ATOM 234 CB LYS A 17 -1.524 -22.167 2.433 1.00 0.00 C ATOM 235 CG LYS A 17 -1.424 -23.653 2.782 1.00 0.00 C ATOM 236 CD LYS A 17 -1.813 -24.489 1.560 1.00 0.00 C ATOM 237 CE LYS A 17 -1.687 -25.977 1.892 1.00 0.00 C ATOM 238 NZ LYS A 17 -2.645 -26.328 2.979 1.00 0.00 N ATOM 0 H LYS A 17 -3.081 -21.522 4.426 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.153 -21.626 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.539 -21.925 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.868 -21.936 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.409 -23.897 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.081 -23.886 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.835 -24.259 1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.170 -24.239 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.892 -26.577 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.668 -26.206 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.786 -27.358 2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.263 -26.013 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.556 -25.858 2.804 1.00 0.00 H new ATOM 252 N CYS A 18 -1.513 -19.540 2.025 1.00 0.00 N ATOM 253 CA CYS A 18 -1.505 -18.165 1.525 1.00 0.00 C ATOM 254 C CYS A 18 -2.682 -17.932 0.579 1.00 0.00 C ATOM 255 O CYS A 18 -2.691 -18.409 -0.556 1.00 0.00 O ATOM 256 CB CYS A 18 -0.183 -17.877 0.800 1.00 0.00 C ATOM 257 SG CYS A 18 -0.044 -18.924 -0.670 1.00 0.00 S ATOM 0 H CYS A 18 -1.874 -20.227 1.363 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.602 -17.487 2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.137 -16.826 0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.657 -18.062 1.470 1.00 0.00 H new ATOM 262 N MET A 19 -3.669 -17.188 1.068 1.00 0.00 N ATOM 263 CA MET A 19 -4.864 -16.870 0.280 1.00 0.00 C ATOM 264 C MET A 19 -5.253 -15.411 0.487 1.00 0.00 C ATOM 265 O MET A 19 -5.076 -14.861 1.575 1.00 0.00 O ATOM 266 CB MET A 19 -6.025 -17.780 0.691 1.00 0.00 C ATOM 267 CG MET A 19 -7.254 -17.472 -0.171 1.00 0.00 C ATOM 268 SD MET A 19 -8.585 -18.630 0.242 1.00 0.00 S ATOM 269 CE MET A 19 -8.408 -19.730 -1.186 1.00 0.00 C ATOM 0 H MET A 19 -3.669 -16.791 2.008 1.00 0.00 H new ATOM 0 HA MET A 19 -4.642 -17.034 -0.774 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.739 -18.825 0.573 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.261 -17.631 1.745 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.583 -16.447 -0.001 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.000 -17.554 -1.228 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.278 -20.383 -1.252 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.330 -19.135 -2.096 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.509 -20.335 -1.070 1.00 0.00 H new ATOM 279 N ASP A 20 -5.777 -14.785 -0.563 1.00 0.00 N ATOM 280 CA ASP A 20 -6.180 -13.386 -0.482 1.00 0.00 C ATOM 281 C ASP A 20 -7.566 -13.252 0.139 1.00 0.00 C ATOM 282 O ASP A 20 -8.267 -14.242 0.344 1.00 0.00 O ATOM 283 CB ASP A 20 -6.181 -12.755 -1.872 1.00 0.00 C ATOM 284 CG ASP A 20 -6.390 -11.250 -1.755 1.00 0.00 C ATOM 285 OD1 ASP A 20 -6.214 -10.729 -0.665 1.00 0.00 O ATOM 286 OD2 ASP A 20 -6.722 -10.638 -2.757 1.00 0.00 O ATOM 0 H ASP A 20 -5.931 -15.220 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.462 -12.866 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.237 -12.962 -2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.971 -13.195 -2.481 1.00 0.00 H new ATOM 291 N LEU A 21 -7.946 -12.019 0.443 1.00 0.00 N ATOM 292 CA LEU A 21 -9.243 -11.753 1.053 1.00 0.00 C ATOM 293 C LEU A 21 -10.391 -12.110 0.106 1.00 0.00 C ATOM 294 O LEU A 21 -11.493 -12.425 0.552 1.00 0.00 O ATOM 295 CB LEU A 21 -9.341 -10.272 1.456 1.00 0.00 C ATOM 296 CG LEU A 21 -10.707 -9.978 2.101 1.00 0.00 C ATOM 297 CD1 LEU A 21 -10.921 -10.874 3.333 1.00 0.00 C ATOM 298 CD2 LEU A 21 -10.760 -8.505 2.518 1.00 0.00 C ATOM 0 H LEU A 21 -7.377 -11.189 0.278 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.330 -12.380 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.542 -10.026 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.203 -9.640 0.578 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.496 -10.186 1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.891 -10.654 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.889 -11.921 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.135 -10.682 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.726 -8.291 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.965 -8.301 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.627 -7.873 1.640 1.00 0.00 H new ATOM 310 N LYS A 22 -10.130 -12.061 -1.197 1.00 0.00 N ATOM 311 CA LYS A 22 -11.151 -12.385 -2.182 1.00 0.00 C ATOM 312 C LYS A 22 -11.533 -13.863 -2.100 1.00 0.00 C ATOM 313 O LYS A 22 -12.694 -14.229 -2.284 1.00 0.00 O ATOM 314 CB LYS A 22 -10.636 -12.058 -3.594 1.00 0.00 C ATOM 315 CG LYS A 22 -11.822 -11.903 -4.565 1.00 0.00 C ATOM 316 CD LYS A 22 -12.353 -10.462 -4.514 1.00 0.00 C ATOM 317 CE LYS A 22 -13.780 -10.420 -5.061 1.00 0.00 C ATOM 318 NZ LYS A 22 -13.779 -10.841 -6.492 1.00 0.00 N ATOM 0 H LYS A 22 -9.226 -11.802 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.037 -11.786 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.050 -11.139 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.973 -12.850 -3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.508 -12.149 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.615 -12.602 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.335 -10.094 -3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.709 -9.806 -5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.423 -11.079 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.187 -9.413 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.712 -10.652 -6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.053 -10.307 -7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.571 -11.858 -6.554 1.00 0.00 H new ATOM 332 N GLY A 23 -10.534 -14.708 -1.845 1.00 0.00 N ATOM 333 CA GLY A 23 -10.742 -16.158 -1.763 1.00 0.00 C ATOM 334 C GLY A 23 -10.041 -16.845 -2.931 1.00 0.00 C ATOM 335 O GLY A 23 -10.295 -18.011 -3.234 1.00 0.00 O ATOM 0 H GLY A 23 -9.569 -14.415 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.353 -16.538 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.808 -16.384 -1.782 1.00 0.00 H new ATOM 339 N ASN A 24 -9.166 -16.090 -3.584 1.00 0.00 N ATOM 340 CA ASN A 24 -8.420 -16.593 -4.735 1.00 0.00 C ATOM 341 C ASN A 24 -7.124 -17.268 -4.292 1.00 0.00 C ATOM 342 O ASN A 24 -6.439 -16.790 -3.388 1.00 0.00 O ATOM 343 CB ASN A 24 -8.093 -15.438 -5.684 1.00 0.00 C ATOM 344 CG ASN A 24 -7.395 -14.317 -4.921 1.00 0.00 C ATOM 345 OD1 ASN A 24 -7.886 -13.190 -4.887 1.00 0.00 O ATOM 346 ND2 ASN A 24 -6.271 -14.559 -4.309 1.00 0.00 N ATOM 0 H ASN A 24 -8.954 -15.124 -3.336 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.038 -17.329 -5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.454 -15.791 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.008 -15.062 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.796 -13.813 -3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.865 -15.494 -4.338 1.00 0.00 H new ATOM 353 N LYS A 25 -6.794 -18.383 -4.943 1.00 0.00 N ATOM 354 CA LYS A 25 -5.577 -19.128 -4.626 1.00 0.00 C ATOM 355 C LYS A 25 -4.455 -18.734 -5.582 1.00 0.00 C ATOM 356 O LYS A 25 -4.704 -18.384 -6.734 1.00 0.00 O ATOM 357 CB LYS A 25 -5.846 -20.628 -4.743 1.00 0.00 C ATOM 358 CG LYS A 25 -4.609 -21.409 -4.285 1.00 0.00 C ATOM 359 CD LYS A 25 -4.863 -22.918 -4.402 1.00 0.00 C ATOM 360 CE LYS A 25 -5.779 -23.402 -3.267 1.00 0.00 C ATOM 361 NZ LYS A 25 -5.732 -24.887 -3.197 1.00 0.00 N ATOM 0 H LYS A 25 -7.353 -18.790 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.274 -18.891 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.708 -20.902 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.090 -20.885 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.748 -21.129 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.369 -21.152 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.320 -23.142 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.915 -23.456 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.460 -22.971 -2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.801 -23.067 -3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.351 -25.218 -2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.056 -25.288 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.756 -25.195 -3.012 1.00 0.00 H new ATOM 375 N HIS A 26 -3.218 -18.790 -5.096 1.00 0.00 N ATOM 376 CA HIS A 26 -2.057 -18.431 -5.911 1.00 0.00 C ATOM 377 C HIS A 26 -0.833 -19.266 -5.492 1.00 0.00 C ATOM 378 O HIS A 26 -0.187 -18.952 -4.492 1.00 0.00 O ATOM 379 CB HIS A 26 -1.749 -16.928 -5.737 1.00 0.00 C ATOM 380 CG HIS A 26 -2.156 -16.489 -4.360 1.00 0.00 C ATOM 381 ND1 HIS A 26 -1.392 -16.764 -3.240 1.00 0.00 N ATOM 382 CD2 HIS A 26 -3.249 -15.798 -3.910 1.00 0.00 C ATOM 383 CE1 HIS A 26 -2.031 -16.242 -2.178 1.00 0.00 C ATOM 384 NE2 HIS A 26 -3.169 -15.643 -2.531 1.00 0.00 N ATOM 0 H HIS A 26 -2.992 -19.080 -4.144 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.280 -18.637 -6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.686 -16.744 -5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.284 -16.347 -6.488 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.051 -15.429 -4.532 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.667 -16.301 -1.163 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.837 -15.172 -1.920 1.00 0.00 H new ATOM 393 N PRO A 27 -0.495 -20.307 -6.222 1.00 0.00 N ATOM 394 CA PRO A 27 0.685 -21.162 -5.891 1.00 0.00 C ATOM 395 C PRO A 27 1.932 -20.323 -5.617 1.00 0.00 C ATOM 396 O PRO A 27 1.880 -19.094 -5.642 1.00 0.00 O ATOM 397 CB PRO A 27 0.862 -22.031 -7.143 1.00 0.00 C ATOM 398 CG PRO A 27 -0.506 -22.126 -7.735 1.00 0.00 C ATOM 399 CD PRO A 27 -1.190 -20.789 -7.430 1.00 0.00 C ATOM 0 HA PRO A 27 0.535 -21.748 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.566 -21.579 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.253 -23.016 -6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.455 -22.302 -8.809 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.062 -22.957 -7.301 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.086 -20.088 -8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.258 -20.917 -7.253 1.00 0.00 H new ATOM 407 N ILE A 28 3.056 -20.984 -5.367 1.00 0.00 N ATOM 408 CA ILE A 28 4.294 -20.263 -5.111 1.00 0.00 C ATOM 409 C ILE A 28 4.758 -19.561 -6.384 1.00 0.00 C ATOM 410 O ILE A 28 4.541 -20.056 -7.487 1.00 0.00 O ATOM 411 CB ILE A 28 5.392 -21.220 -4.637 1.00 0.00 C ATOM 412 CG1 ILE A 28 4.929 -21.979 -3.382 1.00 0.00 C ATOM 413 CG2 ILE A 28 6.668 -20.427 -4.328 1.00 0.00 C ATOM 414 CD1 ILE A 28 4.537 -21.004 -2.259 1.00 0.00 C ATOM 0 H ILE A 28 3.135 -22.000 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 28 4.104 -19.527 -4.330 1.00 0.00 H new ATOM 0 HB ILE A 28 5.599 -21.943 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.078 -22.614 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.727 -22.636 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.448 -21.110 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.002 -19.910 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.462 -19.697 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.214 -21.568 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.396 -20.387 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.723 -20.365 -2.600 1.00 0.00 H new ATOM 426 N ASN A 29 5.389 -18.407 -6.214 1.00 0.00 N ATOM 427 CA ASN A 29 5.890 -17.621 -7.343 1.00 0.00 C ATOM 428 C ASN A 29 4.754 -16.919 -8.080 1.00 0.00 C ATOM 429 O ASN A 29 4.995 -16.138 -9.002 1.00 0.00 O ATOM 430 CB ASN A 29 6.662 -18.514 -8.328 1.00 0.00 C ATOM 431 CG ASN A 29 7.566 -17.657 -9.209 1.00 0.00 C ATOM 432 OD1 ASN A 29 7.105 -17.067 -10.187 1.00 0.00 O ATOM 433 ND2 ASN A 29 8.833 -17.554 -8.922 1.00 0.00 N ATOM 0 H ASN A 29 5.569 -17.989 -5.301 1.00 0.00 H new ATOM 0 HA ASN A 29 6.562 -16.865 -6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.259 -19.243 -7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.963 -19.076 -8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.444 -16.984 -9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.214 -18.043 -8.112 1.00 0.00 H new ATOM 440 N SER A 30 3.515 -17.181 -7.664 1.00 0.00 N ATOM 441 CA SER A 30 2.358 -16.542 -8.292 1.00 0.00 C ATOM 442 C SER A 30 1.988 -15.290 -7.508 1.00 0.00 C ATOM 443 O SER A 30 1.948 -15.308 -6.278 1.00 0.00 O ATOM 444 CB SER A 30 1.162 -17.499 -8.326 1.00 0.00 C ATOM 445 OG SER A 30 0.058 -16.843 -8.939 1.00 0.00 O ATOM 0 H SER A 30 3.288 -17.823 -6.905 1.00 0.00 H new ATOM 0 HA SER A 30 2.617 -16.276 -9.317 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.418 -18.402 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.900 -17.810 -7.315 1.00 0.00 H new ATOM 0 HG SER A 30 -0.710 -17.451 -8.965 1.00 0.00 H new ATOM 451 N GLU A 31 1.719 -14.198 -8.221 1.00 0.00 N ATOM 452 CA GLU A 31 1.351 -12.933 -7.580 1.00 0.00 C ATOM 453 C GLU A 31 -0.069 -12.551 -7.976 1.00 0.00 C ATOM 454 O GLU A 31 -0.510 -12.841 -9.088 1.00 0.00 O ATOM 455 CB GLU A 31 2.310 -11.827 -8.023 1.00 0.00 C ATOM 456 CG GLU A 31 3.737 -12.202 -7.625 1.00 0.00 C ATOM 457 CD GLU A 31 4.709 -11.118 -8.075 1.00 0.00 C ATOM 458 OE1 GLU A 31 4.254 -10.137 -8.641 1.00 0.00 O ATOM 459 OE2 GLU A 31 5.896 -11.285 -7.849 1.00 0.00 O ATOM 0 H GLU A 31 1.748 -14.161 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 31 1.410 -13.054 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.247 -11.687 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.029 -10.880 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.799 -12.331 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.010 -13.156 -8.076 1.00 0.00 H new ATOM 466 N TRP A 32 -0.787 -11.905 -7.060 1.00 0.00 N ATOM 467 CA TRP A 32 -2.167 -11.492 -7.324 1.00 0.00 C ATOM 468 C TRP A 32 -2.389 -10.053 -6.869 1.00 0.00 C ATOM 469 O TRP A 32 -1.909 -9.642 -5.813 1.00 0.00 O ATOM 470 CB TRP A 32 -3.134 -12.417 -6.585 1.00 0.00 C ATOM 471 CG TRP A 32 -2.875 -12.346 -5.114 1.00 0.00 C ATOM 472 CD1 TRP A 32 -3.574 -11.587 -4.238 1.00 0.00 C ATOM 473 CD2 TRP A 32 -1.859 -13.045 -4.333 1.00 0.00 C ATOM 474 NE1 TRP A 32 -3.054 -11.778 -2.970 1.00 0.00 N ATOM 475 CE2 TRP A 32 -1.995 -12.667 -2.976 1.00 0.00 C ATOM 476 CE3 TRP A 32 -0.842 -13.959 -4.666 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -1.153 -13.179 -1.984 1.00 0.00 C ATOM 478 CZ3 TRP A 32 0.006 -14.476 -3.671 1.00 0.00 C ATOM 479 CH2 TRP A 32 -0.152 -14.084 -2.331 1.00 0.00 C ATOM 0 H TRP A 32 -0.441 -11.657 -6.133 1.00 0.00 H new ATOM 0 HA TRP A 32 -2.350 -11.555 -8.397 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.163 -12.127 -6.797 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.012 -13.442 -6.936 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.401 -10.939 -4.488 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.409 -11.318 -2.132 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.712 -14.265 -5.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.278 -12.875 -0.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.782 -15.178 -3.938 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.502 -14.484 -1.570 1.00 0.00 H new ATOM 490 N GLN A 33 -3.124 -9.295 -7.679 1.00 0.00 N ATOM 491 CA GLN A 33 -3.413 -7.902 -7.360 1.00 0.00 C ATOM 492 C GLN A 33 -4.630 -7.807 -6.447 1.00 0.00 C ATOM 493 O GLN A 33 -5.610 -8.531 -6.625 1.00 0.00 O ATOM 494 CB GLN A 33 -3.675 -7.113 -8.644 1.00 0.00 C ATOM 495 CG GLN A 33 -2.383 -7.005 -9.455 1.00 0.00 C ATOM 496 CD GLN A 33 -2.656 -6.284 -10.772 1.00 0.00 C ATOM 497 OE1 GLN A 33 -3.664 -6.549 -11.428 1.00 0.00 O ATOM 498 NE2 GLN A 33 -1.814 -5.384 -11.201 1.00 0.00 N ATOM 0 H GLN A 33 -3.528 -9.621 -8.557 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.550 -7.480 -6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.446 -7.607 -9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.048 -6.118 -8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.629 -6.464 -8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.982 -7.999 -9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.980 -5.166 -10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.990 -4.899 -12.081 1.00 0.00 H new ATOM 507 N THR A 34 -4.558 -6.913 -5.465 1.00 0.00 N ATOM 508 CA THR A 34 -5.657 -6.728 -4.517 1.00 0.00 C ATOM 509 C THR A 34 -5.856 -5.251 -4.187 1.00 0.00 C ATOM 510 O THR A 34 -4.926 -4.450 -4.282 1.00 0.00 O ATOM 511 CB THR A 34 -5.360 -7.503 -3.233 1.00 0.00 C ATOM 512 OG1 THR A 34 -6.191 -7.018 -2.187 1.00 0.00 O ATOM 513 CG2 THR A 34 -3.887 -7.332 -2.863 1.00 0.00 C ATOM 0 H THR A 34 -3.754 -6.306 -5.303 1.00 0.00 H new ATOM 0 HA THR A 34 -6.572 -7.103 -4.975 1.00 0.00 H new ATOM 0 HB THR A 34 -5.564 -8.563 -3.386 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.699 -6.355 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.675 -7.885 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.262 -7.714 -3.670 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.671 -6.275 -2.707 1.00 0.00 H new ATOM 521 N ASP A 35 -7.077 -4.902 -3.792 1.00 0.00 N ATOM 522 CA ASP A 35 -7.398 -3.525 -3.440 1.00 0.00 C ATOM 523 C ASP A 35 -7.182 -2.598 -4.628 1.00 0.00 C ATOM 524 O ASP A 35 -6.737 -3.022 -5.694 1.00 0.00 O ATOM 525 CB ASP A 35 -6.527 -3.059 -2.272 1.00 0.00 C ATOM 526 CG ASP A 35 -6.504 -4.129 -1.183 1.00 0.00 C ATOM 527 OD1 ASP A 35 -7.426 -4.149 -0.385 1.00 0.00 O ATOM 528 OD2 ASP A 35 -5.569 -4.912 -1.160 1.00 0.00 O ATOM 0 H ASP A 35 -7.858 -5.553 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.448 -3.490 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.513 -2.859 -2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.915 -2.124 -1.868 1.00 0.00 H new ATOM 533 N ASN A 36 -7.505 -1.324 -4.430 1.00 0.00 N ATOM 534 CA ASN A 36 -7.356 -0.327 -5.477 1.00 0.00 C ATOM 535 C ASN A 36 -5.899 -0.220 -5.895 1.00 0.00 C ATOM 536 O ASN A 36 -5.600 0.046 -7.060 1.00 0.00 O ATOM 537 CB ASN A 36 -7.829 1.032 -4.968 1.00 0.00 C ATOM 538 CG ASN A 36 -7.190 1.332 -3.613 1.00 0.00 C ATOM 539 OD1 ASN A 36 -5.969 1.451 -3.514 1.00 0.00 O ATOM 540 ND2 ASN A 36 -7.947 1.461 -2.557 1.00 0.00 N ATOM 0 H ASN A 36 -7.872 -0.960 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.957 -0.629 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.565 1.810 -5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.915 1.038 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.527 1.661 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.959 1.362 -2.640 1.00 0.00 H new ATOM 547 N CYS A 37 -4.998 -0.432 -4.940 1.00 0.00 N ATOM 548 CA CYS A 37 -3.573 -0.363 -5.227 1.00 0.00 C ATOM 549 C CYS A 37 -2.764 -1.140 -4.181 1.00 0.00 C ATOM 550 O CYS A 37 -2.112 -0.567 -3.308 1.00 0.00 O ATOM 551 CB CYS A 37 -3.127 1.121 -5.316 1.00 0.00 C ATOM 552 SG CYS A 37 -2.431 1.464 -6.956 1.00 0.00 S ATOM 0 H CYS A 37 -5.228 -0.651 -3.971 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.380 -0.834 -6.191 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.977 1.777 -5.129 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.385 1.333 -4.546 1.00 0.00 H new ATOM 557 N GLU A 38 -2.793 -2.459 -4.296 1.00 0.00 N ATOM 558 CA GLU A 38 -2.036 -3.314 -3.390 1.00 0.00 C ATOM 559 C GLU A 38 -1.816 -4.657 -4.066 1.00 0.00 C ATOM 560 O GLU A 38 -2.722 -5.185 -4.708 1.00 0.00 O ATOM 561 CB GLU A 38 -2.780 -3.504 -2.066 1.00 0.00 C ATOM 562 CG GLU A 38 -1.907 -4.289 -1.086 1.00 0.00 C ATOM 563 CD GLU A 38 -2.639 -4.444 0.245 1.00 0.00 C ATOM 564 OE1 GLU A 38 -3.824 -4.155 0.285 1.00 0.00 O ATOM 565 OE2 GLU A 38 -2.004 -4.852 1.204 1.00 0.00 O ATOM 0 H GLU A 38 -3.330 -2.960 -5.004 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.078 -2.845 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.037 -2.534 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.716 -4.035 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.672 -5.270 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.960 -3.772 -0.933 1.00 0.00 H new ATOM 572 N THR A 39 -0.614 -5.212 -3.940 1.00 0.00 N ATOM 573 CA THR A 39 -0.314 -6.504 -4.574 1.00 0.00 C ATOM 574 C THR A 39 0.463 -7.410 -3.628 1.00 0.00 C ATOM 575 O THR A 39 1.481 -7.007 -3.064 1.00 0.00 O ATOM 576 CB THR A 39 0.499 -6.281 -5.853 1.00 0.00 C ATOM 577 OG1 THR A 39 -0.266 -5.506 -6.765 1.00 0.00 O ATOM 578 CG2 THR A 39 0.845 -7.627 -6.492 1.00 0.00 C ATOM 0 H THR A 39 0.159 -4.801 -3.416 1.00 0.00 H new ATOM 0 HA THR A 39 -1.259 -6.989 -4.820 1.00 0.00 H new ATOM 0 HB THR A 39 1.422 -5.756 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.252 -5.360 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.423 -7.460 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.432 -8.222 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.074 -8.159 -6.739 1.00 0.00 H new ATOM 586 N CYS A 40 -0.034 -8.636 -3.446 1.00 0.00 N ATOM 587 CA CYS A 40 0.611 -9.601 -2.549 1.00 0.00 C ATOM 588 C CYS A 40 1.185 -10.792 -3.311 1.00 0.00 C ATOM 589 O CYS A 40 0.760 -11.110 -4.421 1.00 0.00 O ATOM 590 CB CYS A 40 -0.389 -10.079 -1.492 1.00 0.00 C ATOM 591 SG CYS A 40 -0.770 -8.728 -0.342 1.00 0.00 S ATOM 0 H CYS A 40 -0.876 -8.984 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 40 1.444 -9.096 -2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.303 -10.425 -1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.024 -10.927 -0.946 1.00 0.00 H new ATOM 596 N THR A 41 2.169 -11.438 -2.685 1.00 0.00 N ATOM 597 CA THR A 41 2.846 -12.603 -3.274 1.00 0.00 C ATOM 598 C THR A 41 2.898 -13.765 -2.279 1.00 0.00 C ATOM 599 O THR A 41 2.971 -13.549 -1.073 1.00 0.00 O ATOM 600 CB THR A 41 4.275 -12.225 -3.669 1.00 0.00 C ATOM 601 OG1 THR A 41 4.240 -11.143 -4.589 1.00 0.00 O ATOM 602 CG2 THR A 41 4.975 -13.430 -4.310 1.00 0.00 C ATOM 0 H THR A 41 2.520 -11.175 -1.764 1.00 0.00 H new ATOM 0 HA THR A 41 2.283 -12.914 -4.154 1.00 0.00 H new ATOM 0 HB THR A 41 4.829 -11.926 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.155 -10.899 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.992 -13.154 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.005 -14.255 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.426 -13.739 -5.200 1.00 0.00 H new ATOM 610 N CYS A 42 2.857 -14.998 -2.793 1.00 0.00 N ATOM 611 CA CYS A 42 2.902 -16.193 -1.943 1.00 0.00 C ATOM 612 C CYS A 42 4.240 -16.914 -2.085 1.00 0.00 C ATOM 613 O CYS A 42 4.574 -17.421 -3.156 1.00 0.00 O ATOM 614 CB CYS A 42 1.772 -17.161 -2.330 1.00 0.00 C ATOM 615 SG CYS A 42 1.857 -18.644 -1.296 1.00 0.00 S ATOM 0 H CYS A 42 2.793 -15.195 -3.792 1.00 0.00 H new ATOM 0 HA CYS A 42 2.778 -15.871 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.805 -16.674 -2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.858 -17.434 -3.382 1.00 0.00 H new ATOM 620 N TYR A 43 4.987 -16.978 -0.985 1.00 0.00 N ATOM 621 CA TYR A 43 6.285 -17.673 -0.960 1.00 0.00 C ATOM 622 C TYR A 43 6.161 -18.943 -0.122 1.00 0.00 C ATOM 623 O TYR A 43 5.086 -19.260 0.387 1.00 0.00 O ATOM 624 CB TYR A 43 7.397 -16.785 -0.387 1.00 0.00 C ATOM 625 CG TYR A 43 7.741 -15.690 -1.370 1.00 0.00 C ATOM 626 CD1 TYR A 43 8.604 -15.959 -2.440 1.00 0.00 C ATOM 627 CD2 TYR A 43 7.206 -14.407 -1.208 1.00 0.00 C ATOM 628 CE1 TYR A 43 8.932 -14.945 -3.349 1.00 0.00 C ATOM 629 CE2 TYR A 43 7.532 -13.393 -2.119 1.00 0.00 C ATOM 630 CZ TYR A 43 8.394 -13.663 -3.188 1.00 0.00 C ATOM 631 OH TYR A 43 8.716 -12.663 -4.084 1.00 0.00 O ATOM 0 H TYR A 43 4.720 -16.558 -0.094 1.00 0.00 H new ATOM 0 HA TYR A 43 6.555 -17.921 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.075 -16.348 0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.281 -17.386 -0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.017 -16.949 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.543 -14.198 -0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.599 -15.152 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.118 -12.403 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 43 8.258 -11.835 -3.829 1.00 0.00 H new ATOM 641 N GLU A 44 7.256 -19.676 -0.005 1.00 0.00 N ATOM 642 CA GLU A 44 7.251 -20.921 0.754 1.00 0.00 C ATOM 643 C GLU A 44 6.558 -20.767 2.106 1.00 0.00 C ATOM 644 O GLU A 44 5.625 -21.508 2.418 1.00 0.00 O ATOM 645 CB GLU A 44 8.687 -21.388 0.984 1.00 0.00 C ATOM 646 CG GLU A 44 9.298 -21.830 -0.343 1.00 0.00 C ATOM 647 CD GLU A 44 10.764 -22.195 -0.142 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.229 -22.095 0.983 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.399 -22.568 -1.112 1.00 0.00 O ATOM 0 H GLU A 44 8.155 -19.435 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 44 6.696 -21.656 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.278 -20.581 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.703 -22.213 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.752 -22.687 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.211 -21.030 -1.078 1.00 0.00 H new ATOM 656 N THR A 45 7.026 -19.820 2.920 1.00 0.00 N ATOM 657 CA THR A 45 6.446 -19.610 4.251 1.00 0.00 C ATOM 658 C THR A 45 6.347 -18.123 4.583 1.00 0.00 C ATOM 659 O THR A 45 6.447 -17.734 5.748 1.00 0.00 O ATOM 660 CB THR A 45 7.317 -20.309 5.298 1.00 0.00 C ATOM 661 OG1 THR A 45 6.939 -19.879 6.599 1.00 0.00 O ATOM 662 CG2 THR A 45 8.789 -19.972 5.051 1.00 0.00 C ATOM 0 H THR A 45 7.795 -19.192 2.687 1.00 0.00 H new ATOM 0 HA THR A 45 5.440 -20.029 4.258 1.00 0.00 H new ATOM 0 HB THR A 45 7.177 -21.387 5.221 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.031 -18.905 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.407 -20.471 5.798 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.078 -20.311 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.932 -18.894 5.123 1.00 0.00 H new ATOM 670 N GLU A 46 6.141 -17.294 3.565 1.00 0.00 N ATOM 671 CA GLU A 46 6.021 -15.847 3.778 1.00 0.00 C ATOM 672 C GLU A 46 5.168 -15.204 2.690 1.00 0.00 C ATOM 673 O GLU A 46 5.164 -15.651 1.546 1.00 0.00 O ATOM 674 CB GLU A 46 7.407 -15.177 3.771 1.00 0.00 C ATOM 675 CG GLU A 46 8.208 -15.579 5.013 1.00 0.00 C ATOM 676 CD GLU A 46 9.554 -14.862 5.021 1.00 0.00 C ATOM 677 OE1 GLU A 46 9.793 -14.082 4.116 1.00 0.00 O ATOM 678 OE2 GLU A 46 10.325 -15.103 5.935 1.00 0.00 O ATOM 0 H GLU A 46 6.054 -17.590 2.593 1.00 0.00 H new ATOM 0 HA GLU A 46 5.546 -15.702 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.951 -15.465 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.293 -14.093 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.648 -15.328 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.362 -16.658 5.023 1.00 0.00 H new ATOM 685 N ILE A 47 4.457 -14.134 3.042 1.00 0.00 N ATOM 686 CA ILE A 47 3.629 -13.413 2.078 1.00 0.00 C ATOM 687 C ILE A 47 4.055 -11.953 2.053 1.00 0.00 C ATOM 688 O ILE A 47 4.072 -11.282 3.084 1.00 0.00 O ATOM 689 CB ILE A 47 2.143 -13.531 2.458 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.652 -14.974 2.189 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.308 -12.537 1.629 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.581 -15.373 3.213 1.00 0.00 C ATOM 0 H ILE A 47 4.438 -13.748 3.986 1.00 0.00 H new ATOM 0 HA ILE A 47 3.762 -13.847 1.087 1.00 0.00 H new ATOM 0 HB ILE A 47 2.025 -13.299 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.244 -15.044 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.492 -15.667 2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.257 -12.627 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.649 -11.521 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.426 -12.759 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.245 -16.390 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.001 -15.322 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.265 -14.690 3.139 1.00 0.00 H new ATOM 704 N SER A 48 4.370 -11.461 0.864 1.00 0.00 N ATOM 705 CA SER A 48 4.764 -10.069 0.696 1.00 0.00 C ATOM 706 C SER A 48 3.536 -9.270 0.319 1.00 0.00 C ATOM 707 O SER A 48 2.610 -9.811 -0.268 1.00 0.00 O ATOM 708 CB SER A 48 5.826 -9.950 -0.399 1.00 0.00 C ATOM 709 OG SER A 48 5.192 -9.879 -1.668 1.00 0.00 O ATOM 0 H SER A 48 4.361 -12.005 0.001 1.00 0.00 H new ATOM 0 HA SER A 48 5.188 -9.687 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.435 -9.061 -0.235 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.498 -10.808 -0.364 1.00 0.00 H new ATOM 0 HG SER A 48 5.872 -9.801 -2.369 1.00 0.00 H new ATOM 715 N CYS A 49 3.536 -7.996 0.664 1.00 0.00 N ATOM 716 CA CYS A 49 2.394 -7.136 0.348 1.00 0.00 C ATOM 717 C CYS A 49 2.790 -5.670 0.284 1.00 0.00 C ATOM 718 O CYS A 49 3.096 -5.052 1.302 1.00 0.00 O ATOM 719 CB CYS A 49 1.288 -7.327 1.390 1.00 0.00 C ATOM 720 SG CYS A 49 0.537 -8.964 1.183 1.00 0.00 S ATOM 0 H CYS A 49 4.299 -7.532 1.156 1.00 0.00 H new ATOM 0 HA CYS A 49 2.027 -7.427 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.699 -7.228 2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.531 -6.551 1.278 1.00 0.00 H new ATOM 725 N CYS A 50 2.749 -5.116 -0.926 1.00 0.00 N ATOM 726 CA CYS A 50 3.071 -3.715 -1.147 1.00 0.00 C ATOM 727 C CYS A 50 1.805 -2.961 -1.509 1.00 0.00 C ATOM 728 O CYS A 50 0.974 -3.447 -2.271 1.00 0.00 O ATOM 729 CB CYS A 50 4.107 -3.575 -2.266 1.00 0.00 C ATOM 730 SG CYS A 50 5.724 -4.111 -1.651 1.00 0.00 S ATOM 0 H CYS A 50 2.493 -5.624 -1.773 1.00 0.00 H new ATOM 0 HA CYS A 50 3.495 -3.296 -0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.814 -4.177 -3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.158 -2.540 -2.603 1.00 0.00 H new ATOM 735 N THR A 51 1.665 -1.781 -0.931 1.00 0.00 N ATOM 736 CA THR A 51 0.489 -0.945 -1.158 1.00 0.00 C ATOM 737 C THR A 51 0.709 0.019 -2.302 1.00 0.00 C ATOM 738 O THR A 51 0.021 1.033 -2.422 1.00 0.00 O ATOM 739 CB THR A 51 0.161 -0.199 0.115 1.00 0.00 C ATOM 740 OG1 THR A 51 -0.879 0.740 -0.127 1.00 0.00 O ATOM 741 CG2 THR A 51 1.402 0.520 0.647 1.00 0.00 C ATOM 0 H THR A 51 2.353 -1.374 -0.297 1.00 0.00 H new ATOM 0 HA THR A 51 -0.350 -1.584 -1.434 1.00 0.00 H new ATOM 0 HB THR A 51 -0.174 -0.917 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.680 1.245 -0.943 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.149 1.052 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.184 -0.210 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.758 1.231 -0.099 1.00 0.00 H new ATOM 749 N LEU A 52 1.655 -0.336 -3.150 1.00 0.00 N ATOM 750 CA LEU A 52 1.981 0.464 -4.332 1.00 0.00 C ATOM 751 C LEU A 52 1.924 1.962 -4.025 1.00 0.00 C ATOM 752 O LEU A 52 1.793 2.780 -4.936 1.00 0.00 O ATOM 753 CB LEU A 52 0.980 0.137 -5.445 1.00 0.00 C ATOM 754 CG LEU A 52 1.013 -1.374 -5.745 1.00 0.00 C ATOM 755 CD1 LEU A 52 -0.217 -1.773 -6.568 1.00 0.00 C ATOM 756 CD2 LEU A 52 2.283 -1.742 -6.534 1.00 0.00 C ATOM 0 H LEU A 52 2.220 -1.179 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 52 2.996 0.220 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.024 0.436 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.224 0.702 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 52 1.012 -1.909 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.185 -2.843 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.122 -1.539 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.220 -1.221 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.288 -2.813 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.297 -1.195 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.164 -1.479 -5.949 1.00 0.00 H new ATOM 768 N VAL A 53 2.004 2.319 -2.738 1.00 0.00 N ATOM 769 CA VAL A 53 1.939 3.727 -2.317 1.00 0.00 C ATOM 770 C VAL A 53 3.160 4.111 -1.476 1.00 0.00 C ATOM 771 O VAL A 53 3.713 3.290 -0.742 1.00 0.00 O ATOM 772 CB VAL A 53 0.641 3.953 -1.517 1.00 0.00 C ATOM 773 CG1 VAL A 53 0.700 5.286 -0.774 1.00 0.00 C ATOM 774 CG2 VAL A 53 -0.556 3.942 -2.482 1.00 0.00 C ATOM 0 H VAL A 53 2.114 1.656 -1.971 1.00 0.00 H new ATOM 0 HA VAL A 53 1.940 4.362 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 53 0.527 3.154 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.224 5.431 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.545 5.282 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.821 6.098 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.477 4.101 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.437 4.737 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.604 2.980 -2.992 1.00 0.00 H new ATOM 784 N SER A 54 3.552 5.385 -1.584 1.00 0.00 N ATOM 785 CA SER A 54 4.688 5.918 -0.834 1.00 0.00 C ATOM 786 C SER A 54 4.194 6.707 0.383 1.00 0.00 C ATOM 787 O SER A 54 3.047 7.156 0.414 1.00 0.00 O ATOM 788 CB SER A 54 5.511 6.833 -1.739 1.00 0.00 C ATOM 789 OG SER A 54 5.638 6.231 -3.022 1.00 0.00 O ATOM 0 H SER A 54 3.094 6.068 -2.188 1.00 0.00 H new ATOM 0 HA SER A 54 5.308 5.090 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.029 7.807 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.496 7.003 -1.305 1.00 0.00 H new ATOM 0 HG SER A 54 6.164 6.815 -3.607 1.00 0.00 H new ATOM 795 N THR A 55 5.063 6.866 1.381 1.00 0.00 N ATOM 796 CA THR A 55 4.702 7.602 2.602 1.00 0.00 C ATOM 797 C THR A 55 5.393 8.974 2.639 1.00 0.00 C ATOM 798 O THR A 55 6.599 9.061 2.407 1.00 0.00 O ATOM 799 CB THR A 55 5.125 6.804 3.837 1.00 0.00 C ATOM 800 OG1 THR A 55 4.654 5.468 3.724 1.00 0.00 O ATOM 801 CG2 THR A 55 4.532 7.451 5.090 1.00 0.00 C ATOM 0 H THR A 55 6.015 6.500 1.373 1.00 0.00 H new ATOM 0 HA THR A 55 3.622 7.746 2.601 1.00 0.00 H new ATOM 0 HB THR A 55 6.212 6.799 3.911 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.927 4.957 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.833 6.883 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.895 8.475 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.444 7.457 5.017 1.00 0.00 H new ATOM 809 N PRO A 56 4.678 10.045 2.944 1.00 0.00 N ATOM 810 CA PRO A 56 5.282 11.405 3.025 1.00 0.00 C ATOM 811 C PRO A 56 6.025 11.597 4.341 1.00 0.00 C ATOM 812 O PRO A 56 5.473 11.359 5.416 1.00 0.00 O ATOM 813 CB PRO A 56 4.069 12.336 2.942 1.00 0.00 C ATOM 814 CG PRO A 56 2.963 11.561 3.574 1.00 0.00 C ATOM 815 CD PRO A 56 3.233 10.088 3.240 1.00 0.00 C ATOM 0 HA PRO A 56 6.018 11.590 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.250 13.272 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.835 12.592 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.943 11.719 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.994 11.877 3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.978 9.437 4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.641 9.758 2.386 1.00 0.00 H new ATOM 823 N VAL A 57 7.278 12.025 4.256 1.00 0.00 N ATOM 824 CA VAL A 57 8.085 12.242 5.451 1.00 0.00 C ATOM 825 C VAL A 57 9.026 13.426 5.245 1.00 0.00 C ATOM 826 O VAL A 57 9.489 13.679 4.133 1.00 0.00 O ATOM 827 CB VAL A 57 8.881 10.977 5.761 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.626 10.537 4.501 1.00 0.00 C ATOM 829 CG2 VAL A 57 9.885 11.250 6.886 1.00 0.00 C ATOM 0 H VAL A 57 7.756 12.228 3.378 1.00 0.00 H new ATOM 0 HA VAL A 57 7.430 12.468 6.293 1.00 0.00 H new ATOM 0 HB VAL A 57 8.200 10.189 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.198 9.634 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.908 10.334 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.304 11.329 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.448 10.341 7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.572 12.038 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.350 11.565 7.782 1.00 0.00 H new ATOM 839 N GLY A 58 9.302 14.145 6.326 1.00 0.00 N ATOM 840 CA GLY A 58 10.186 15.301 6.260 1.00 0.00 C ATOM 841 C GLY A 58 9.429 16.532 5.779 1.00 0.00 C ATOM 842 O GLY A 58 9.898 17.263 4.906 1.00 0.00 O ATOM 0 H GLY A 58 8.928 13.949 7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.615 15.493 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.016 15.092 5.585 1.00 0.00 H new ATOM 846 N TYR A 59 8.251 16.752 6.353 1.00 0.00 N ATOM 847 CA TYR A 59 7.425 17.897 5.976 1.00 0.00 C ATOM 848 C TYR A 59 6.625 18.391 7.175 1.00 0.00 C ATOM 849 O TYR A 59 6.550 17.720 8.206 1.00 0.00 O ATOM 850 CB TYR A 59 6.478 17.513 4.830 1.00 0.00 C ATOM 851 CG TYR A 59 5.317 16.691 5.351 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.508 15.353 5.711 1.00 0.00 C ATOM 853 CD2 TYR A 59 4.049 17.276 5.474 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.432 14.599 6.192 1.00 0.00 C ATOM 855 CE2 TYR A 59 2.973 16.521 5.952 1.00 0.00 C ATOM 856 CZ TYR A 59 3.167 15.184 6.312 1.00 0.00 C ATOM 857 OH TYR A 59 2.113 14.446 6.792 1.00 0.00 O ATOM 0 H TYR A 59 7.847 16.158 7.077 1.00 0.00 H new ATOM 0 HA TYR A 59 8.078 18.701 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.104 18.413 4.343 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.023 16.946 4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.485 14.902 5.618 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.903 18.310 5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.578 13.566 6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.995 16.970 6.043 1.00 0.00 H new ATOM 0 HH TYR A 59 1.484 15.037 7.256 1.00 0.00 H new ATOM 867 N ASP A 60 6.022 19.561 7.032 1.00 0.00 N ATOM 868 CA ASP A 60 5.226 20.126 8.113 1.00 0.00 C ATOM 869 C ASP A 60 3.922 19.349 8.253 1.00 0.00 C ATOM 870 O ASP A 60 2.940 19.627 7.565 1.00 0.00 O ATOM 871 CB ASP A 60 4.916 21.593 7.831 1.00 0.00 C ATOM 872 CG ASP A 60 6.195 22.419 7.902 1.00 0.00 C ATOM 873 OD1 ASP A 60 7.207 21.871 8.305 1.00 0.00 O ATOM 874 OD2 ASP A 60 6.142 23.587 7.554 1.00 0.00 O ATOM 0 H ASP A 60 6.067 20.133 6.189 1.00 0.00 H new ATOM 0 HA ASP A 60 5.795 20.055 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.462 21.694 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.192 21.966 8.555 1.00 0.00 H new ATOM 879 N LYS A 61 3.932 18.362 9.140 1.00 0.00 N ATOM 880 CA LYS A 61 2.758 17.529 9.367 1.00 0.00 C ATOM 881 C LYS A 61 1.591 18.345 9.910 1.00 0.00 C ATOM 882 O LYS A 61 0.438 18.084 9.572 1.00 0.00 O ATOM 883 CB LYS A 61 3.090 16.413 10.355 1.00 0.00 C ATOM 884 CG LYS A 61 4.118 15.461 9.743 1.00 0.00 C ATOM 885 CD LYS A 61 4.470 14.371 10.760 1.00 0.00 C ATOM 886 CE LYS A 61 5.512 13.427 10.159 1.00 0.00 C ATOM 887 NZ LYS A 61 5.870 12.380 11.157 1.00 0.00 N ATOM 0 H LYS A 61 4.740 18.119 9.714 1.00 0.00 H new ATOM 0 HA LYS A 61 2.467 17.103 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.481 16.839 11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.184 15.865 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.718 15.011 8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.015 16.011 9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.857 14.823 11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.575 13.813 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.119 12.963 9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.401 13.987 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.579 11.738 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.262 12.831 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.020 11.839 11.413 1.00 0.00 H new ATOM 901 N ASP A 62 1.881 19.314 10.770 1.00 0.00 N ATOM 902 CA ASP A 62 0.833 20.137 11.363 1.00 0.00 C ATOM 903 C ASP A 62 0.238 21.136 10.366 1.00 0.00 C ATOM 904 O ASP A 62 -0.975 21.340 10.332 1.00 0.00 O ATOM 905 CB ASP A 62 1.415 20.897 12.555 1.00 0.00 C ATOM 906 CG ASP A 62 0.348 21.782 13.185 1.00 0.00 C ATOM 907 OD1 ASP A 62 -0.773 21.322 13.318 1.00 0.00 O ATOM 908 OD2 ASP A 62 0.669 22.908 13.529 1.00 0.00 O ATOM 0 H ASP A 62 2.827 19.549 11.071 1.00 0.00 H new ATOM 0 HA ASP A 62 0.027 19.474 11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.796 20.192 13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.258 21.506 12.231 1.00 0.00 H new ATOM 913 N ASN A 63 1.099 21.774 9.578 1.00 0.00 N ATOM 914 CA ASN A 63 0.641 22.771 8.608 1.00 0.00 C ATOM 915 C ASN A 63 0.033 22.117 7.374 1.00 0.00 C ATOM 916 O ASN A 63 -0.769 22.728 6.668 1.00 0.00 O ATOM 917 CB ASN A 63 1.797 23.667 8.182 1.00 0.00 C ATOM 918 CG ASN A 63 2.509 24.212 9.416 1.00 0.00 C ATOM 919 OD1 ASN A 63 3.706 24.495 9.369 1.00 0.00 O ATOM 920 ND2 ASN A 63 1.844 24.375 10.529 1.00 0.00 N ATOM 0 H ASN A 63 2.108 21.623 9.589 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.128 23.368 9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.498 23.104 7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.426 24.490 7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.317 24.736 11.357 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.852 24.141 10.569 1.00 0.00 H new ATOM 927 N CYS A 64 0.423 20.871 7.118 1.00 0.00 N ATOM 928 CA CYS A 64 -0.085 20.128 5.960 1.00 0.00 C ATOM 929 C CYS A 64 -0.643 18.775 6.385 1.00 0.00 C ATOM 930 O CYS A 64 -0.097 18.115 7.269 1.00 0.00 O ATOM 931 CB CYS A 64 1.037 19.902 4.954 1.00 0.00 C ATOM 932 SG CYS A 64 1.577 21.481 4.252 1.00 0.00 S ATOM 0 H CYS A 64 1.087 20.353 7.693 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.882 20.717 5.506 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.877 19.406 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.694 19.241 4.158 1.00 0.00 H new ATOM 937 N GLN A 65 -1.726 18.359 5.733 1.00 0.00 N ATOM 938 CA GLN A 65 -2.358 17.074 6.023 1.00 0.00 C ATOM 939 C GLN A 65 -2.133 16.115 4.864 1.00 0.00 C ATOM 940 O GLN A 65 -2.017 16.535 3.714 1.00 0.00 O ATOM 941 CB GLN A 65 -3.859 17.269 6.247 1.00 0.00 C ATOM 942 CG GLN A 65 -4.401 18.252 5.212 1.00 0.00 C ATOM 943 CD GLN A 65 -5.911 18.394 5.377 1.00 0.00 C ATOM 944 OE1 GLN A 65 -6.582 17.441 5.774 1.00 0.00 O ATOM 945 NE2 GLN A 65 -6.486 19.530 5.099 1.00 0.00 N ATOM 0 H GLN A 65 -2.186 18.895 4.997 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.914 16.656 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.378 16.314 6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.042 17.645 7.253 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.920 19.223 5.332 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.167 17.902 4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.927 20.317 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.495 19.632 5.210 1.00 0.00 H new ATOM 954 N ARG A 66 -2.061 14.827 5.174 1.00 0.00 N ATOM 955 CA ARG A 66 -1.831 13.814 4.150 1.00 0.00 C ATOM 956 C ARG A 66 -3.151 13.388 3.507 1.00 0.00 C ATOM 957 O ARG A 66 -4.119 13.081 4.203 1.00 0.00 O ATOM 958 CB ARG A 66 -1.169 12.601 4.800 1.00 0.00 C ATOM 959 CG ARG A 66 0.165 13.022 5.409 1.00 0.00 C ATOM 960 CD ARG A 66 0.725 11.878 6.258 1.00 0.00 C ATOM 961 NE ARG A 66 0.835 10.665 5.465 1.00 0.00 N ATOM 962 CZ ARG A 66 1.121 9.499 6.034 1.00 0.00 C ATOM 963 NH1 ARG A 66 1.318 9.431 7.323 1.00 0.00 N ATOM 964 NH2 ARG A 66 1.196 8.422 5.304 1.00 0.00 N ATOM 0 H ARG A 66 -2.158 14.460 6.121 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.187 14.229 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.819 12.187 5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.013 11.817 4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.871 13.282 4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.031 13.912 6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.704 12.153 6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.076 11.702 7.116 1.00 0.00 H new ATOM 0 HE ARG A 66 0.690 10.710 4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.252 10.274 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.537 8.535 7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.035 8.475 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.415 7.526 5.739 1.00 0.00 H new ATOM 978 N ILE A 67 -3.189 13.387 2.169 1.00 0.00 N ATOM 979 CA ILE A 67 -4.407 13.020 1.430 1.00 0.00 C ATOM 980 C ILE A 67 -4.195 11.734 0.637 1.00 0.00 C ATOM 981 O ILE A 67 -3.210 11.594 -0.090 1.00 0.00 O ATOM 982 CB ILE A 67 -4.776 14.155 0.474 1.00 0.00 C ATOM 983 CG1 ILE A 67 -4.811 15.477 1.251 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.149 13.889 -0.148 1.00 0.00 C ATOM 985 CD1 ILE A 67 -5.770 15.390 2.452 1.00 0.00 C ATOM 0 H ILE A 67 -2.396 13.634 1.577 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.214 12.855 2.144 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.032 14.214 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.808 15.724 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.126 16.283 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.404 14.702 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.123 12.949 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.899 13.826 0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.774 16.341 2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.777 15.168 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.439 14.599 3.125 1.00 0.00 H new ATOM 997 N PHE A 68 -5.124 10.790 0.794 1.00 0.00 N ATOM 998 CA PHE A 68 -5.033 9.501 0.105 1.00 0.00 C ATOM 999 C PHE A 68 -5.820 9.502 -1.207 1.00 0.00 C ATOM 1000 O PHE A 68 -7.045 9.646 -1.208 1.00 0.00 O ATOM 1001 CB PHE A 68 -5.565 8.398 1.029 1.00 0.00 C ATOM 1002 CG PHE A 68 -5.514 7.066 0.317 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.283 6.541 -0.105 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -6.697 6.353 0.075 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.237 5.312 -0.767 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -6.648 5.124 -0.589 1.00 0.00 C ATOM 1007 CZ PHE A 68 -5.419 4.604 -1.011 1.00 0.00 C ATOM 0 H PHE A 68 -5.945 10.893 1.390 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.987 9.318 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.970 8.356 1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.589 8.623 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.371 7.088 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.645 6.753 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.289 4.908 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.559 4.575 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.383 3.655 -1.526 1.00 0.00 H new ATOM 1017 N LYS A 69 -5.098 9.323 -2.323 1.00 0.00 N ATOM 1018 CA LYS A 69 -5.715 9.288 -3.663 1.00 0.00 C ATOM 1019 C LYS A 69 -5.490 7.914 -4.318 1.00 0.00 C ATOM 1020 O LYS A 69 -4.381 7.606 -4.755 1.00 0.00 O ATOM 1021 CB LYS A 69 -5.086 10.393 -4.555 1.00 0.00 C ATOM 1022 CG LYS A 69 -6.102 11.505 -4.866 1.00 0.00 C ATOM 1023 CD LYS A 69 -6.393 12.316 -3.602 1.00 0.00 C ATOM 1024 CE LYS A 69 -7.340 13.466 -3.950 1.00 0.00 C ATOM 1025 NZ LYS A 69 -7.627 14.260 -2.723 1.00 0.00 N ATOM 0 H LYS A 69 -4.085 9.200 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.786 9.462 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.219 10.820 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.729 9.953 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.711 12.159 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.025 11.069 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.841 11.677 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.465 12.707 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.891 14.103 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.267 13.074 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.499 14.809 -2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.747 13.618 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.836 14.908 -2.536 1.00 0.00 H new ATOM 1039 N LYS A 70 -6.541 7.105 -4.389 1.00 0.00 N ATOM 1040 CA LYS A 70 -6.441 5.783 -5.001 1.00 0.00 C ATOM 1041 C LYS A 70 -6.132 5.872 -6.489 1.00 0.00 C ATOM 1042 O LYS A 70 -5.364 5.072 -7.025 1.00 0.00 O ATOM 1043 CB LYS A 70 -7.760 5.040 -4.833 1.00 0.00 C ATOM 1044 CG LYS A 70 -7.970 4.719 -3.360 1.00 0.00 C ATOM 1045 CD LYS A 70 -9.271 3.929 -3.174 1.00 0.00 C ATOM 1046 CE LYS A 70 -10.489 4.846 -3.352 1.00 0.00 C ATOM 1047 NZ LYS A 70 -11.699 4.161 -2.817 1.00 0.00 N ATOM 0 H LYS A 70 -7.468 7.338 -4.033 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.628 5.254 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.584 5.649 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.751 4.122 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.127 4.141 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.009 5.641 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.314 3.114 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.290 3.478 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.329 5.789 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.628 5.086 -4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.528 4.778 -2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.852 3.272 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.563 3.954 -1.807 1.00 0.00 H new ATOM 1061 N GLU A 71 -6.782 6.815 -7.157 1.00 0.00 N ATOM 1062 CA GLU A 71 -6.619 6.964 -8.594 1.00 0.00 C ATOM 1063 C GLU A 71 -5.171 7.228 -8.976 1.00 0.00 C ATOM 1064 O GLU A 71 -4.750 6.906 -10.088 1.00 0.00 O ATOM 1065 CB GLU A 71 -7.495 8.113 -9.100 1.00 0.00 C ATOM 1066 CG GLU A 71 -7.405 8.195 -10.629 1.00 0.00 C ATOM 1067 CD GLU A 71 -8.340 9.278 -11.150 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -9.185 9.720 -10.391 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -8.196 9.651 -12.303 1.00 0.00 O ATOM 0 H GLU A 71 -7.423 7.484 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.925 6.026 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.530 7.956 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.170 9.054 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.380 8.413 -10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.669 7.233 -11.069 1.00 0.00 H new ATOM 1076 N ASP A 72 -4.409 7.820 -8.063 1.00 0.00 N ATOM 1077 CA ASP A 72 -3.004 8.130 -8.327 1.00 0.00 C ATOM 1078 C ASP A 72 -2.093 7.264 -7.465 1.00 0.00 C ATOM 1079 O ASP A 72 -0.869 7.384 -7.526 1.00 0.00 O ATOM 1080 CB ASP A 72 -2.744 9.605 -8.020 1.00 0.00 C ATOM 1081 CG ASP A 72 -3.658 10.481 -8.870 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -4.016 10.052 -9.953 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -3.991 11.566 -8.421 1.00 0.00 O ATOM 0 H ASP A 72 -4.736 8.095 -7.137 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.790 7.925 -9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.918 9.801 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.701 9.849 -8.222 1.00 0.00 H new ATOM 1088 N CYS A 73 -2.693 6.373 -6.675 1.00 0.00 N ATOM 1089 CA CYS A 73 -1.923 5.482 -5.808 1.00 0.00 C ATOM 1090 C CYS A 73 -0.731 6.208 -5.196 1.00 0.00 C ATOM 1091 O CYS A 73 0.419 5.851 -5.449 1.00 0.00 O ATOM 1092 CB CYS A 73 -1.435 4.279 -6.608 1.00 0.00 C ATOM 1093 SG CYS A 73 -2.869 3.407 -7.274 1.00 0.00 S ATOM 0 H CYS A 73 -3.704 6.250 -6.618 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.573 5.147 -5.000 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.781 4.603 -7.417 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -0.850 3.614 -5.972 1.00 0.00 H new ATOM 1098 N LYS A 74 -1.011 7.229 -4.389 1.00 0.00 N ATOM 1099 CA LYS A 74 0.051 7.991 -3.752 1.00 0.00 C ATOM 1100 C LYS A 74 -0.505 8.926 -2.686 1.00 0.00 C ATOM 1101 O LYS A 74 -1.677 9.302 -2.722 1.00 0.00 O ATOM 1102 CB LYS A 74 0.821 8.816 -4.792 1.00 0.00 C ATOM 1103 CG LYS A 74 -0.114 9.810 -5.508 1.00 0.00 C ATOM 1104 CD LYS A 74 0.725 10.853 -6.252 1.00 0.00 C ATOM 1105 CE LYS A 74 1.654 10.161 -7.251 1.00 0.00 C ATOM 1106 NZ LYS A 74 0.906 9.105 -7.987 1.00 0.00 N ATOM 0 H LYS A 74 -1.955 7.543 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 74 0.726 7.278 -3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.631 9.359 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.279 8.150 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.759 9.279 -6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.765 10.300 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.072 11.552 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.311 11.435 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.056 10.891 -7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.503 9.721 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.560 8.581 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.471 8.449 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.163 9.546 -8.566 1.00 0.00 H new ATOM 1120 N TYR A 75 0.360 9.333 -1.759 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.025 10.264 -0.702 1.00 0.00 C ATOM 1122 C TYR A 75 0.528 11.638 -1.037 1.00 0.00 C ATOM 1123 O TYR A 75 1.703 11.778 -1.376 1.00 0.00 O ATOM 1124 CB TYR A 75 0.534 9.796 0.663 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.507 9.005 1.423 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.580 9.680 2.017 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.398 7.619 1.546 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.549 8.967 2.732 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.367 6.902 2.258 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.442 7.577 2.851 1.00 0.00 C ATOM 1131 OH TYR A 75 -3.399 6.869 3.548 1.00 0.00 O ATOM 0 H TYR A 75 1.334 9.032 -1.719 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.112 10.303 -0.633 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.422 9.183 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.842 10.660 1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.660 10.753 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.433 7.100 1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.377 9.488 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.286 5.829 2.350 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.175 5.915 3.534 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.319 12.652 -0.935 1.00 0.00 N ATOM 1142 CA ILE A 76 0.089 14.024 -1.218 1.00 0.00 C ATOM 1143 C ILE A 76 -0.249 14.903 -0.024 1.00 0.00 C ATOM 1144 O ILE A 76 -1.355 14.847 0.515 1.00 0.00 O ATOM 1145 CB ILE A 76 -0.614 14.525 -2.486 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.126 14.553 -2.261 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -0.290 13.586 -3.653 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -2.838 14.895 -3.572 1.00 0.00 C ATOM 0 H ILE A 76 -1.296 12.552 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 76 1.165 14.064 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.265 15.531 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.466 13.585 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.376 15.290 -1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.789 13.941 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.787 13.568 -3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.638 12.580 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.915 14.914 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.507 15.873 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.599 14.142 -4.323 1.00 0.00 H new ATOM 1160 N VAL A 77 0.716 15.706 0.403 1.00 0.00 N ATOM 1161 CA VAL A 77 0.518 16.586 1.542 1.00 0.00 C ATOM 1162 C VAL A 77 0.181 17.982 1.049 1.00 0.00 C ATOM 1163 O VAL A 77 0.869 18.536 0.191 1.00 0.00 O ATOM 1164 CB VAL A 77 1.798 16.615 2.399 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.832 15.396 3.332 1.00 0.00 C ATOM 1166 CG2 VAL A 77 3.030 16.598 1.480 1.00 0.00 C ATOM 0 H VAL A 77 1.641 15.765 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.306 16.218 2.153 1.00 0.00 H new ATOM 0 HB VAL A 77 1.806 17.523 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.740 15.424 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.961 15.415 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.819 14.482 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.936 16.619 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.019 15.692 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.010 17.471 0.828 1.00 0.00 H new ATOM 1176 N VAL A 78 -0.896 18.542 1.590 1.00 0.00 N ATOM 1177 CA VAL A 78 -1.340 19.883 1.198 1.00 0.00 C ATOM 1178 C VAL A 78 -1.577 20.754 2.431 1.00 0.00 C ATOM 1179 O VAL A 78 -2.042 20.271 3.462 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.636 19.783 0.381 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -3.850 19.585 1.301 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -2.818 21.046 -0.443 1.00 0.00 C ATOM 0 H VAL A 78 -1.478 18.094 2.298 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.560 20.342 0.591 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.562 18.920 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.756 19.517 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.726 18.666 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.931 20.431 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.738 20.973 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.874 21.909 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.972 21.164 -1.120 1.00 0.00 H new ATOM 1192 N GLU A 79 -1.270 22.040 2.308 1.00 0.00 N ATOM 1193 CA GLU A 79 -1.474 22.963 3.412 1.00 0.00 C ATOM 1194 C GLU A 79 -2.921 22.906 3.870 1.00 0.00 C ATOM 1195 O GLU A 79 -3.806 22.532 3.100 1.00 0.00 O ATOM 1196 CB GLU A 79 -1.124 24.386 2.984 1.00 0.00 C ATOM 1197 CG GLU A 79 0.384 24.495 2.754 1.00 0.00 C ATOM 1198 CD GLU A 79 0.742 25.909 2.314 1.00 0.00 C ATOM 1199 OE1 GLU A 79 -0.163 26.721 2.207 1.00 0.00 O ATOM 1200 OE2 GLU A 79 1.914 26.162 2.095 1.00 0.00 O ATOM 0 H GLU A 79 -0.883 22.462 1.464 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.823 22.673 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.661 24.645 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.438 25.095 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.919 24.244 3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.697 23.778 1.995 1.00 0.00 H new ATOM 1207 N LYS A 80 -3.168 23.292 5.119 1.00 0.00 N ATOM 1208 CA LYS A 80 -4.520 23.295 5.652 1.00 0.00 C ATOM 1209 C LYS A 80 -5.167 24.653 5.398 1.00 0.00 C ATOM 1210 O LYS A 80 -6.373 24.824 5.572 1.00 0.00 O ATOM 1211 CB LYS A 80 -4.452 23.030 7.151 1.00 0.00 C ATOM 1212 CG LYS A 80 -3.943 21.609 7.381 1.00 0.00 C ATOM 1213 CD LYS A 80 -3.693 21.403 8.871 1.00 0.00 C ATOM 1214 CE LYS A 80 -3.215 19.969 9.123 1.00 0.00 C ATOM 1215 NZ LYS A 80 -2.837 19.804 10.555 1.00 0.00 N ATOM 0 H LYS A 80 -2.452 23.604 5.775 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.116 22.523 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.789 23.750 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.437 23.155 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.673 20.885 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.024 21.443 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.946 22.113 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.607 21.596 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.003 19.263 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.361 19.744 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.611 18.806 10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.005 20.392 10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.630 20.098 11.160 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.343 25.621 4.984 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.825 26.975 4.697 1.00 0.00 C ATOM 1231 C LYS A 81 -5.122 27.139 3.208 1.00 0.00 C ATOM 1232 O LYS A 81 -6.174 27.656 2.830 1.00 0.00 O ATOM 1233 CB LYS A 81 -3.766 27.998 5.108 1.00 0.00 C ATOM 1234 CG LYS A 81 -3.564 27.940 6.621 1.00 0.00 C ATOM 1235 CD LYS A 81 -2.472 28.932 7.032 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.313 28.919 8.555 1.00 0.00 C ATOM 1237 NZ LYS A 81 -1.567 27.696 8.967 1.00 0.00 N ATOM 0 H LYS A 81 -3.341 25.492 4.841 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.742 27.138 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.826 27.790 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.077 28.999 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.497 28.178 7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.284 26.930 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.528 28.667 6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.731 29.935 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.779 29.811 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.292 28.939 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.355 27.745 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.146 26.854 8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.678 27.635 8.431 1.00 0.00 H new ATOM 1251 N ASP A 82 -4.182 26.704 2.360 1.00 0.00 N ATOM 1252 CA ASP A 82 -4.343 26.816 0.902 1.00 0.00 C ATOM 1253 C ASP A 82 -4.282 25.439 0.242 1.00 0.00 C ATOM 1254 O ASP A 82 -3.210 24.994 -0.173 1.00 0.00 O ATOM 1255 CB ASP A 82 -3.222 27.692 0.339 1.00 0.00 C ATOM 1256 CG ASP A 82 -3.509 28.027 -1.119 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -4.462 27.489 -1.652 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -2.769 28.819 -1.684 1.00 0.00 O ATOM 0 H ASP A 82 -3.306 26.273 2.655 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.315 27.262 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.137 28.609 0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.267 27.173 0.421 1.00 0.00 H new ATOM 1263 N PRO A 83 -5.403 24.759 0.127 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.460 23.402 -0.507 1.00 0.00 C ATOM 1265 C PRO A 83 -4.986 23.429 -1.964 1.00 0.00 C ATOM 1266 O PRO A 83 -4.589 22.408 -2.519 1.00 0.00 O ATOM 1267 CB PRO A 83 -6.949 23.007 -0.408 1.00 0.00 C ATOM 1268 CG PRO A 83 -7.507 23.870 0.676 1.00 0.00 C ATOM 1269 CD PRO A 83 -6.737 25.183 0.591 1.00 0.00 C ATOM 0 HA PRO A 83 -4.801 22.689 -0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.466 23.176 -1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.062 21.950 -0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.576 24.033 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.380 23.404 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.204 25.880 -0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.687 25.684 1.558 1.00 0.00 H new ATOM 1277 N LYS A 84 -5.042 24.598 -2.590 1.00 0.00 N ATOM 1278 CA LYS A 84 -4.618 24.720 -3.982 1.00 0.00 C ATOM 1279 C LYS A 84 -3.125 24.448 -4.110 1.00 0.00 C ATOM 1280 O LYS A 84 -2.684 23.765 -5.031 1.00 0.00 O ATOM 1281 CB LYS A 84 -4.925 26.131 -4.493 1.00 0.00 C ATOM 1282 CG LYS A 84 -6.427 26.436 -4.370 1.00 0.00 C ATOM 1283 CD LYS A 84 -7.215 25.722 -5.474 1.00 0.00 C ATOM 1284 CE LYS A 84 -8.690 26.102 -5.374 1.00 0.00 C ATOM 1285 NZ LYS A 84 -9.446 25.400 -6.448 1.00 0.00 N ATOM 0 H LYS A 84 -5.372 25.465 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.162 23.987 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.352 26.863 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.614 26.223 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.789 26.117 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.592 27.511 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.823 25.999 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.099 24.642 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.084 25.827 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.808 27.181 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.453 25.654 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.073 25.683 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.341 24.372 -6.332 1.00 0.00 H new ATOM 1299 N LYS A 85 -2.357 24.994 -3.180 1.00 0.00 N ATOM 1300 CA LYS A 85 -0.903 24.815 -3.187 1.00 0.00 C ATOM 1301 C LYS A 85 -0.501 23.536 -2.458 1.00 0.00 C ATOM 1302 O LYS A 85 -1.039 23.222 -1.397 1.00 0.00 O ATOM 1303 CB LYS A 85 -0.241 26.007 -2.511 1.00 0.00 C ATOM 1304 CG LYS A 85 1.280 25.900 -2.664 1.00 0.00 C ATOM 1305 CD LYS A 85 1.946 27.177 -2.136 1.00 0.00 C ATOM 1306 CE LYS A 85 1.926 27.193 -0.602 1.00 0.00 C ATOM 1307 NZ LYS A 85 2.833 28.265 -0.107 1.00 0.00 N ATOM 0 H LYS A 85 -2.709 25.564 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.574 24.740 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.598 26.936 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.510 26.036 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.650 25.033 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.540 25.750 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.974 27.234 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.425 28.053 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.912 27.365 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.242 26.225 -0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.821 28.277 0.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.801 28.082 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.512 29.186 -0.468 1.00 0.00 H new ATOM 1321 N THR A 86 0.453 22.804 -3.034 1.00 0.00 N ATOM 1322 CA THR A 86 0.930 21.559 -2.433 1.00 0.00 C ATOM 1323 C THR A 86 2.027 21.836 -1.407 1.00 0.00 C ATOM 1324 O THR A 86 2.578 22.934 -1.349 1.00 0.00 O ATOM 1325 CB THR A 86 1.465 20.630 -3.528 1.00 0.00 C ATOM 1326 OG1 THR A 86 2.299 21.369 -4.409 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.294 20.028 -4.311 1.00 0.00 C ATOM 0 H THR A 86 0.909 23.051 -3.912 1.00 0.00 H new ATOM 0 HA THR A 86 0.095 21.079 -1.922 1.00 0.00 H new ATOM 0 HB THR A 86 2.042 19.826 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.643 20.775 -5.109 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.678 19.368 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.342 19.459 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.288 20.828 -4.769 1.00 0.00 H new ATOM 1335 N CYS A 87 2.338 20.823 -0.595 1.00 0.00 N ATOM 1336 CA CYS A 87 3.376 20.944 0.435 1.00 0.00 C ATOM 1337 C CYS A 87 4.646 20.204 0.005 1.00 0.00 C ATOM 1338 O CYS A 87 4.573 19.123 -0.580 1.00 0.00 O ATOM 1339 CB CYS A 87 2.866 20.355 1.749 1.00 0.00 C ATOM 1340 SG CYS A 87 1.356 21.216 2.260 1.00 0.00 S ATOM 0 H CYS A 87 1.887 19.909 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 87 3.611 22.000 0.571 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.666 19.290 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.629 20.450 2.521 1.00 0.00 H new ATOM 1345 N SER A 88 5.806 20.792 0.295 1.00 0.00 N ATOM 1346 CA SER A 88 7.082 20.174 -0.077 1.00 0.00 C ATOM 1347 C SER A 88 7.446 19.052 0.891 1.00 0.00 C ATOM 1348 O SER A 88 7.075 19.090 2.063 1.00 0.00 O ATOM 1349 CB SER A 88 8.195 21.225 -0.079 1.00 0.00 C ATOM 1350 OG SER A 88 7.751 22.378 -0.782 1.00 0.00 O ATOM 0 H SER A 88 5.891 21.685 0.781 1.00 0.00 H new ATOM 0 HA SER A 88 6.975 19.754 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.463 21.489 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.092 20.821 -0.549 1.00 0.00 H new ATOM 0 HG SER A 88 8.461 23.054 -0.784 1.00 0.00 H new ATOM 1356 N VAL A 89 8.178 18.051 0.394 1.00 0.00 N ATOM 1357 CA VAL A 89 8.593 16.918 1.224 1.00 0.00 C ATOM 1358 C VAL A 89 10.078 16.630 0.998 1.00 0.00 C ATOM 1359 O VAL A 89 10.544 16.610 -0.140 1.00 0.00 O ATOM 1360 CB VAL A 89 7.758 15.690 0.854 1.00 0.00 C ATOM 1361 CG1 VAL A 89 8.026 14.555 1.839 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.286 16.064 0.922 1.00 0.00 C ATOM 0 H VAL A 89 8.494 18.002 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 89 8.437 17.157 2.276 1.00 0.00 H new ATOM 0 HB VAL A 89 8.024 15.361 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.426 13.687 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.083 14.290 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.760 14.877 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.678 15.198 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.039 16.389 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.084 16.874 0.221 1.00 0.00 H new ATOM 1372 N SER A 90 10.817 16.412 2.085 1.00 0.00 N ATOM 1373 CA SER A 90 12.249 16.131 1.986 1.00 0.00 C ATOM 1374 C SER A 90 12.491 14.829 1.233 1.00 0.00 C ATOM 1375 O SER A 90 13.459 14.708 0.482 1.00 0.00 O ATOM 1376 CB SER A 90 12.855 16.007 3.379 1.00 0.00 C ATOM 1377 OG SER A 90 12.487 17.139 4.158 1.00 0.00 O ATOM 0 H SER A 90 10.452 16.424 3.037 1.00 0.00 H new ATOM 0 HA SER A 90 12.717 16.955 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.506 15.093 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.941 15.937 3.310 1.00 0.00 H new ATOM 0 HG SER A 90 11.629 16.968 4.599 1.00 0.00 H new ATOM 1383 N GLU A 91 11.609 13.855 1.443 1.00 0.00 N ATOM 1384 CA GLU A 91 11.753 12.568 0.772 1.00 0.00 C ATOM 1385 C GLU A 91 10.521 11.688 0.977 1.00 0.00 C ATOM 1386 O GLU A 91 9.650 11.998 1.791 1.00 0.00 O ATOM 1387 CB GLU A 91 12.999 11.852 1.303 1.00 0.00 C ATOM 1388 CG GLU A 91 12.788 11.457 2.766 1.00 0.00 C ATOM 1389 CD GLU A 91 14.077 10.886 3.341 1.00 0.00 C ATOM 1390 OE1 GLU A 91 15.124 11.456 3.081 1.00 0.00 O ATOM 1391 OE2 GLU A 91 14.001 9.884 4.034 1.00 0.00 O ATOM 0 H GLU A 91 10.801 13.930 2.061 1.00 0.00 H new ATOM 0 HA GLU A 91 11.857 12.751 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.203 10.965 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.869 12.503 1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.475 12.326 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.989 10.720 2.841 1.00 0.00 H new ATOM 1398 N TRP A 92 10.468 10.581 0.232 1.00 0.00 N ATOM 1399 CA TRP A 92 9.358 9.627 0.322 1.00 0.00 C ATOM 1400 C TRP A 92 9.897 8.226 0.610 1.00 0.00 C ATOM 1401 O TRP A 92 11.001 7.881 0.190 1.00 0.00 O ATOM 1402 CB TRP A 92 8.582 9.607 -1.000 1.00 0.00 C ATOM 1403 CG TRP A 92 7.998 10.958 -1.259 1.00 0.00 C ATOM 1404 CD1 TRP A 92 8.666 12.011 -1.784 1.00 0.00 C ATOM 1405 CD2 TRP A 92 6.639 11.414 -1.022 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.801 13.086 -1.880 1.00 0.00 N ATOM 1407 CE2 TRP A 92 6.538 12.767 -1.424 1.00 0.00 C ATOM 1408 CE3 TRP A 92 5.494 10.787 -0.502 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 5.343 13.476 -1.308 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 4.291 11.496 -0.387 1.00 0.00 C ATOM 1411 CH2 TRP A 92 4.213 12.838 -0.790 1.00 0.00 C ATOM 0 H TRP A 92 11.186 10.322 -0.445 1.00 0.00 H new ATOM 0 HA TRP A 92 8.694 9.934 1.131 1.00 0.00 H new ATOM 0 HB2 TRP A 92 9.244 9.323 -1.818 1.00 0.00 H new ATOM 0 HB3 TRP A 92 7.790 8.859 -0.957 1.00 0.00 H new ATOM 0 HD1 TRP A 92 9.705 12.012 -2.080 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.064 14.002 -2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 92 5.541 9.754 -0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 5.291 14.510 -1.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.417 11.006 0.015 1.00 0.00 H new ATOM 0 HH2 TRP A 92 3.281 13.377 -0.700 1.00 0.00 H new ATOM 1422 N ILE A 93 9.112 7.418 1.326 1.00 0.00 N ATOM 1423 CA ILE A 93 9.525 6.047 1.657 1.00 0.00 C ATOM 1424 C ILE A 93 8.802 5.045 0.768 1.00 0.00 C ATOM 1425 O ILE A 93 7.572 5.014 0.721 1.00 0.00 O ATOM 1426 CB ILE A 93 9.201 5.741 3.121 1.00 0.00 C ATOM 1427 CG1 ILE A 93 9.912 6.751 4.024 1.00 0.00 C ATOM 1428 CG2 ILE A 93 9.669 4.328 3.467 1.00 0.00 C ATOM 1429 CD1 ILE A 93 9.354 6.649 5.443 1.00 0.00 C ATOM 0 H ILE A 93 8.195 7.683 1.686 1.00 0.00 H new ATOM 0 HA ILE A 93 10.599 5.964 1.493 1.00 0.00 H new ATOM 0 HB ILE A 93 8.124 5.812 3.274 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.985 6.558 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.772 7.761 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.437 4.113 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.159 3.609 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.745 4.253 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.861 7.369 6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.285 6.864 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.517 5.642 5.827 1.00 0.00 H new ATOM 1441 N ILE A 94 9.573 4.226 0.061 1.00 0.00 N ATOM 1442 CA ILE A 94 8.997 3.225 -0.830 1.00 0.00 C ATOM 1443 C ILE A 94 10.007 2.119 -1.116 1.00 0.00 C ATOM 1444 O ILE A 94 9.603 0.968 -1.146 1.00 0.00 O ATOM 1445 CB ILE A 94 8.566 3.889 -2.141 1.00 0.00 C ATOM 1446 CG1 ILE A 94 7.828 2.878 -3.034 1.00 0.00 C ATOM 1447 CG2 ILE A 94 9.803 4.403 -2.879 1.00 0.00 C ATOM 1448 CD1 ILE A 94 6.523 2.418 -2.363 1.00 0.00 C ATOM 1449 OXT ILE A 94 11.170 2.439 -1.302 1.00 0.00 O ATOM 0 H ILE A 94 10.593 4.235 0.087 1.00 0.00 H new ATOM 0 HA ILE A 94 8.127 2.783 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 94 7.896 4.718 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 94 7.607 3.331 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.469 2.017 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.499 4.876 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 94 10.322 5.131 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.470 3.569 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.014 1.703 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 94 6.752 1.945 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.877 3.280 -2.195 1.00 0.00 H new TER 1461 ILE A 94