USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 557 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0846 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00199) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0.0128 (180deg=0.0128) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0926 (180deg=-0.475) USER MOD Single : A 22 LYS NZ :NH3+ 145:sc= -0.228 (180deg=-1.64!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 26 THR OG1 : rot 28:sc= 0.495! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 160:sc= -1.8! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0205 K(o=-0.021,f=-1.8!) USER MOD Single : A 41 SER OG : rot 57:sc= 0.706 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -0.237 K(o=-0.24,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00695) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc=-0.00793 USER MOD Single : A 55 ASN : amide:sc= 0.0409 K(o=0.041,f=-1) USER MOD Single : A 58 ASN : amide:sc= -0.0679 X(o=-0.068,f=-0.068) USER MOD Single : A 59 LYS NZ :NH3+ -148:sc= -0.0669 (180deg=-1.23) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 65 GLN : amide:sc= -0.0312 K(o=-0.031,f=-0.91) USER MOD Single : A 67 GLN : amide:sc= -0.543 K(o=-0.54,f=-3.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.971 -22.930 -10.658 1.00 0.00 N ATOM 2 CA GLY A 1 -31.569 -23.331 -9.397 1.00 0.00 C ATOM 3 C GLY A 1 -32.635 -22.361 -8.927 1.00 0.00 C ATOM 4 O GLY A 1 -33.018 -21.447 -9.657 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.915 -23.752 -11.293 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.554 -22.191 -11.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.014 -22.560 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.007 -24.323 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.791 -23.407 -8.637 1.00 0.00 H new ATOM 8 N SER A 2 -33.117 -22.561 -7.705 1.00 0.00 N ATOM 9 CA SER A 2 -34.150 -21.701 -7.140 1.00 0.00 C ATOM 10 C SER A 2 -33.673 -21.062 -5.839 1.00 0.00 C ATOM 11 O SER A 2 -33.360 -21.756 -4.872 1.00 0.00 O ATOM 12 CB SER A 2 -35.429 -22.501 -6.889 1.00 0.00 C ATOM 13 OG SER A 2 -36.535 -21.641 -6.676 1.00 0.00 O ATOM 0 H SER A 2 -32.809 -23.311 -7.087 1.00 0.00 H new ATOM 0 HA SER A 2 -34.361 -20.909 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.628 -23.151 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.294 -23.146 -6.021 1.00 0.00 H new ATOM 0 HG SER A 2 -37.341 -22.177 -6.520 1.00 0.00 H new ATOM 19 N SER A 3 -33.619 -19.734 -5.824 1.00 0.00 N ATOM 20 CA SER A 3 -33.177 -19.000 -4.645 1.00 0.00 C ATOM 21 C SER A 3 -33.696 -17.565 -4.671 1.00 0.00 C ATOM 22 O SER A 3 -33.975 -17.013 -5.735 1.00 0.00 O ATOM 23 CB SER A 3 -31.649 -19.000 -4.561 1.00 0.00 C ATOM 24 OG SER A 3 -31.213 -18.933 -3.214 1.00 0.00 O ATOM 0 H SER A 3 -33.876 -19.144 -6.616 1.00 0.00 H new ATOM 0 HA SER A 3 -33.583 -19.499 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.256 -19.902 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.251 -18.152 -5.118 1.00 0.00 H new ATOM 0 HG SER A 3 -30.233 -18.936 -3.187 1.00 0.00 H new ATOM 30 N GLY A 4 -33.823 -16.966 -3.491 1.00 0.00 N ATOM 31 CA GLY A 4 -34.308 -15.602 -3.400 1.00 0.00 C ATOM 32 C GLY A 4 -34.201 -15.041 -1.996 1.00 0.00 C ATOM 33 O GLY A 4 -34.981 -15.402 -1.114 1.00 0.00 O ATOM 0 H GLY A 4 -33.598 -17.401 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.740 -14.971 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.348 -15.567 -3.724 1.00 0.00 H new ATOM 37 N SER A 5 -33.232 -14.156 -1.785 1.00 0.00 N ATOM 38 CA SER A 5 -33.022 -13.548 -0.477 1.00 0.00 C ATOM 39 C SER A 5 -33.126 -12.028 -0.561 1.00 0.00 C ATOM 40 O SER A 5 -32.441 -11.392 -1.362 1.00 0.00 O ATOM 41 CB SER A 5 -31.655 -13.948 0.081 1.00 0.00 C ATOM 42 OG SER A 5 -31.463 -15.349 0.006 1.00 0.00 O ATOM 0 H SER A 5 -32.579 -13.844 -2.504 1.00 0.00 H new ATOM 0 HA SER A 5 -33.800 -13.911 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.868 -13.440 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.572 -13.622 1.118 1.00 0.00 H new ATOM 0 HG SER A 5 -30.581 -15.578 0.367 1.00 0.00 H new ATOM 48 N SER A 6 -33.987 -11.453 0.273 1.00 0.00 N ATOM 49 CA SER A 6 -34.184 -10.008 0.291 1.00 0.00 C ATOM 50 C SER A 6 -32.924 -9.294 0.772 1.00 0.00 C ATOM 51 O SER A 6 -32.412 -9.577 1.855 1.00 0.00 O ATOM 52 CB SER A 6 -35.365 -9.645 1.192 1.00 0.00 C ATOM 53 OG SER A 6 -35.506 -8.240 1.307 1.00 0.00 O ATOM 0 H SER A 6 -34.559 -11.965 0.945 1.00 0.00 H new ATOM 0 HA SER A 6 -34.399 -9.682 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.281 -10.073 0.786 1.00 0.00 H new ATOM 0 HB3 SER A 6 -35.220 -10.081 2.180 1.00 0.00 H new ATOM 0 HG SER A 6 -36.269 -8.034 1.887 1.00 0.00 H new ATOM 59 N GLY A 7 -32.430 -8.367 -0.042 1.00 0.00 N ATOM 60 CA GLY A 7 -31.234 -7.626 0.317 1.00 0.00 C ATOM 61 C GLY A 7 -30.456 -7.158 -0.897 1.00 0.00 C ATOM 62 O GLY A 7 -29.793 -7.953 -1.562 1.00 0.00 O ATOM 0 H GLY A 7 -32.836 -8.115 -0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.513 -6.763 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.593 -8.254 0.936 1.00 0.00 H new ATOM 66 N ASP A 8 -30.538 -5.864 -1.187 1.00 0.00 N ATOM 67 CA ASP A 8 -29.837 -5.291 -2.330 1.00 0.00 C ATOM 68 C ASP A 8 -29.805 -3.768 -2.240 1.00 0.00 C ATOM 69 O ASP A 8 -30.844 -3.111 -2.313 1.00 0.00 O ATOM 70 CB ASP A 8 -30.506 -5.723 -3.636 1.00 0.00 C ATOM 71 CG ASP A 8 -29.827 -5.134 -4.857 1.00 0.00 C ATOM 72 OD1 ASP A 8 -28.580 -5.084 -4.876 1.00 0.00 O ATOM 73 OD2 ASP A 8 -30.544 -4.722 -5.793 1.00 0.00 O ATOM 0 H ASP A 8 -31.083 -5.192 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 8 -28.811 -5.660 -2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -30.492 -6.811 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -31.552 -5.418 -3.623 1.00 0.00 H new ATOM 78 N CYS A 9 -28.608 -3.215 -2.082 1.00 0.00 N ATOM 79 CA CYS A 9 -28.441 -1.770 -1.980 1.00 0.00 C ATOM 80 C CYS A 9 -28.485 -1.119 -3.359 1.00 0.00 C ATOM 81 O CYS A 9 -28.672 -1.796 -4.370 1.00 0.00 O ATOM 82 CB CYS A 9 -27.119 -1.435 -1.287 1.00 0.00 C ATOM 83 SG CYS A 9 -27.058 -1.914 0.455 1.00 0.00 S ATOM 0 H CYS A 9 -27.739 -3.745 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 9 -29.265 -1.376 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -26.307 -1.931 -1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -26.942 -0.362 -1.364 1.00 0.00 H new ATOM 0 HG CYS A 9 -25.901 -1.592 0.953 1.00 0.00 H new ATOM 89 N TYR A 10 -28.314 0.198 -3.391 1.00 0.00 N ATOM 90 CA TYR A 10 -28.339 0.941 -4.646 1.00 0.00 C ATOM 91 C TYR A 10 -26.931 1.100 -5.212 1.00 0.00 C ATOM 92 O TYR A 10 -26.676 0.777 -6.373 1.00 0.00 O ATOM 93 CB TYR A 10 -28.974 2.317 -4.435 1.00 0.00 C ATOM 94 CG TYR A 10 -30.469 2.266 -4.213 1.00 0.00 C ATOM 95 CD1 TYR A 10 -31.293 1.541 -5.064 1.00 0.00 C ATOM 96 CD2 TYR A 10 -31.056 2.943 -3.151 1.00 0.00 C ATOM 97 CE1 TYR A 10 -32.659 1.493 -4.865 1.00 0.00 C ATOM 98 CE2 TYR A 10 -32.421 2.899 -2.944 1.00 0.00 C ATOM 99 CZ TYR A 10 -33.218 2.173 -3.804 1.00 0.00 C ATOM 100 OH TYR A 10 -34.579 2.126 -3.601 1.00 0.00 O ATOM 0 H TYR A 10 -28.157 0.773 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 10 -28.938 0.377 -5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.504 2.797 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.765 2.941 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.858 1.006 -5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -30.435 3.513 -2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -33.286 0.926 -5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -32.862 3.430 -2.113 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.810 2.657 -2.811 1.00 0.00 H new ATOM 110 N LYS A 11 -26.020 1.598 -4.384 1.00 0.00 N ATOM 111 CA LYS A 11 -24.636 1.799 -4.799 1.00 0.00 C ATOM 112 C LYS A 11 -23.670 1.290 -3.735 1.00 0.00 C ATOM 113 O LYS A 11 -23.872 1.513 -2.542 1.00 0.00 O ATOM 114 CB LYS A 11 -24.375 3.281 -5.074 1.00 0.00 C ATOM 115 CG LYS A 11 -24.912 4.204 -3.993 1.00 0.00 C ATOM 116 CD LYS A 11 -26.319 4.678 -4.314 1.00 0.00 C ATOM 117 CE LYS A 11 -26.303 5.934 -5.171 1.00 0.00 C ATOM 118 NZ LYS A 11 -26.013 7.152 -4.365 1.00 0.00 N ATOM 0 H LYS A 11 -26.215 1.870 -3.420 1.00 0.00 H new ATOM 0 HA LYS A 11 -24.471 1.232 -5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -23.301 3.440 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -24.828 3.550 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -24.912 3.683 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -24.252 5.065 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -26.860 3.888 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -26.858 4.876 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -25.552 5.830 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -27.267 6.048 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -26.044 7.990 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -26.724 7.248 -3.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -25.068 7.070 -3.940 1.00 0.00 H new ATOM 132 N ASN A 12 -22.618 0.606 -4.175 1.00 0.00 N ATOM 133 CA ASN A 12 -21.620 0.067 -3.259 1.00 0.00 C ATOM 134 C ASN A 12 -20.357 0.923 -3.266 1.00 0.00 C ATOM 135 O ASN A 12 -20.027 1.569 -2.271 1.00 0.00 O ATOM 136 CB ASN A 12 -21.274 -1.375 -3.640 1.00 0.00 C ATOM 137 CG ASN A 12 -22.442 -2.321 -3.438 1.00 0.00 C ATOM 138 OD1 ASN A 12 -23.375 -2.353 -4.240 1.00 0.00 O ATOM 139 ND2 ASN A 12 -22.394 -3.099 -2.363 1.00 0.00 N ATOM 0 H ASN A 12 -22.435 0.412 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.041 0.080 -2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -20.960 -1.407 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.428 -1.713 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -23.151 -3.757 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.601 -3.039 -1.725 1.00 0.00 H new ATOM 146 N PHE A 13 -19.655 0.923 -4.394 1.00 0.00 N ATOM 147 CA PHE A 13 -18.428 1.699 -4.530 1.00 0.00 C ATOM 148 C PHE A 13 -17.443 1.361 -3.414 1.00 0.00 C ATOM 149 O PHE A 13 -17.331 2.090 -2.429 1.00 0.00 O ATOM 150 CB PHE A 13 -18.742 3.196 -4.513 1.00 0.00 C ATOM 151 CG PHE A 13 -17.523 4.066 -4.630 1.00 0.00 C ATOM 152 CD1 PHE A 13 -16.553 3.798 -5.583 1.00 0.00 C ATOM 153 CD2 PHE A 13 -17.346 5.151 -3.786 1.00 0.00 C ATOM 154 CE1 PHE A 13 -15.430 4.597 -5.693 1.00 0.00 C ATOM 155 CE2 PHE A 13 -16.225 5.953 -3.892 1.00 0.00 C ATOM 156 CZ PHE A 13 -15.266 5.675 -4.846 1.00 0.00 C ATOM 0 H PHE A 13 -19.915 0.395 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 13 -17.969 1.442 -5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -19.422 3.426 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -19.264 3.439 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -16.676 2.955 -6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -18.092 5.372 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.682 4.378 -6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -16.099 6.796 -3.229 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.389 6.300 -4.929 1.00 0.00 H new ATOM 166 N VAL A 14 -16.732 0.250 -3.576 1.00 0.00 N ATOM 167 CA VAL A 14 -15.757 -0.185 -2.584 1.00 0.00 C ATOM 168 C VAL A 14 -14.382 0.409 -2.867 1.00 0.00 C ATOM 169 O VAL A 14 -13.838 0.247 -3.958 1.00 0.00 O ATOM 170 CB VAL A 14 -15.643 -1.721 -2.545 1.00 0.00 C ATOM 171 CG1 VAL A 14 -15.287 -2.265 -3.921 1.00 0.00 C ATOM 172 CG2 VAL A 14 -14.614 -2.152 -1.511 1.00 0.00 C ATOM 0 H VAL A 14 -16.813 -0.365 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.110 0.170 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 14 -16.610 -2.133 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -15.211 -3.351 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -16.063 -1.986 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.332 -1.848 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.546 -3.240 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.642 -1.731 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.916 -1.794 -0.527 1.00 0.00 H new ATOM 182 N ALA A 15 -13.826 1.098 -1.876 1.00 0.00 N ATOM 183 CA ALA A 15 -12.513 1.714 -2.017 1.00 0.00 C ATOM 184 C ALA A 15 -11.419 0.658 -2.127 1.00 0.00 C ATOM 185 O ALA A 15 -11.603 -0.488 -1.714 1.00 0.00 O ATOM 186 CB ALA A 15 -12.236 2.642 -0.843 1.00 0.00 C ATOM 0 H ALA A 15 -14.265 1.243 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.511 2.298 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.252 3.095 -0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.994 3.424 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.263 2.072 0.086 1.00 0.00 H new ATOM 192 N LYS A 16 -10.279 1.049 -2.688 1.00 0.00 N ATOM 193 CA LYS A 16 -9.154 0.136 -2.853 1.00 0.00 C ATOM 194 C LYS A 16 -8.810 -0.547 -1.533 1.00 0.00 C ATOM 195 O LYS A 16 -8.712 0.103 -0.492 1.00 0.00 O ATOM 196 CB LYS A 16 -7.933 0.890 -3.383 1.00 0.00 C ATOM 197 CG LYS A 16 -7.085 0.074 -4.344 1.00 0.00 C ATOM 198 CD LYS A 16 -7.656 0.101 -5.752 1.00 0.00 C ATOM 199 CE LYS A 16 -8.594 -1.072 -5.995 1.00 0.00 C ATOM 200 NZ LYS A 16 -8.533 -1.548 -7.404 1.00 0.00 N ATOM 0 H LYS A 16 -10.110 1.993 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.442 -0.630 -3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.267 1.797 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.315 1.202 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.068 0.465 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.026 -0.957 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.193 1.036 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.842 0.074 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.334 -1.890 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.615 -0.776 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.186 -2.348 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.806 -0.775 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.564 -1.855 -7.625 1.00 0.00 H new ATOM 214 N LYS A 17 -8.626 -1.862 -1.583 1.00 0.00 N ATOM 215 CA LYS A 17 -8.289 -2.634 -0.393 1.00 0.00 C ATOM 216 C LYS A 17 -6.782 -2.841 -0.287 1.00 0.00 C ATOM 217 O LYS A 17 -6.130 -3.240 -1.252 1.00 0.00 O ATOM 218 CB LYS A 17 -9.000 -3.989 -0.421 1.00 0.00 C ATOM 219 CG LYS A 17 -10.395 -3.957 0.178 1.00 0.00 C ATOM 220 CD LYS A 17 -11.447 -3.649 -0.874 1.00 0.00 C ATOM 221 CE LYS A 17 -11.671 -4.834 -1.801 1.00 0.00 C ATOM 222 NZ LYS A 17 -12.172 -6.027 -1.065 1.00 0.00 N ATOM 0 H LYS A 17 -8.705 -2.416 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.623 -2.073 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.065 -4.334 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.397 -4.717 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.614 -4.918 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.436 -3.205 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.385 -3.385 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.137 -2.782 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.386 -4.559 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.737 -5.083 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.611 -6.690 -1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.379 -6.497 -0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.877 -5.730 -0.361 1.00 0.00 H new ATOM 236 N CYS A 18 -6.234 -2.569 0.893 1.00 0.00 N ATOM 237 CA CYS A 18 -4.803 -2.726 1.126 1.00 0.00 C ATOM 238 C CYS A 18 -4.335 -4.118 0.715 1.00 0.00 C ATOM 239 O CYS A 18 -5.023 -5.111 0.950 1.00 0.00 O ATOM 240 CB CYS A 18 -4.476 -2.480 2.601 1.00 0.00 C ATOM 241 SG CYS A 18 -2.694 -2.351 2.955 1.00 0.00 S ATOM 0 H CYS A 18 -6.759 -2.239 1.703 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.277 -1.991 0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.967 -1.562 2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.896 -3.291 3.196 1.00 0.00 H new ATOM 246 N ALA A 19 -3.158 -4.183 0.100 1.00 0.00 N ATOM 247 CA ALA A 19 -2.596 -5.453 -0.343 1.00 0.00 C ATOM 248 C ALA A 19 -1.642 -6.024 0.701 1.00 0.00 C ATOM 249 O ALA A 19 -0.756 -6.815 0.379 1.00 0.00 O ATOM 250 CB ALA A 19 -1.882 -5.279 -1.675 1.00 0.00 C ATOM 0 H ALA A 19 -2.575 -3.371 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.416 -6.159 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.467 -6.236 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.590 -4.923 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.076 -4.553 -1.564 1.00 0.00 H new ATOM 256 N GLY A 20 -1.828 -5.616 1.953 1.00 0.00 N ATOM 257 CA GLY A 20 -0.974 -6.096 3.024 1.00 0.00 C ATOM 258 C GLY A 20 -1.767 -6.617 4.206 1.00 0.00 C ATOM 259 O GLY A 20 -1.439 -7.661 4.772 1.00 0.00 O ATOM 0 H GLY A 20 -2.554 -4.962 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.330 -6.889 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.322 -5.288 3.355 1.00 0.00 H new ATOM 263 N CYS A 21 -2.812 -5.889 4.583 1.00 0.00 N ATOM 264 CA CYS A 21 -3.653 -6.282 5.707 1.00 0.00 C ATOM 265 C CYS A 21 -5.033 -6.722 5.227 1.00 0.00 C ATOM 266 O CYS A 21 -5.814 -7.295 5.987 1.00 0.00 O ATOM 267 CB CYS A 21 -3.791 -5.123 6.697 1.00 0.00 C ATOM 268 SG CYS A 21 -4.413 -3.580 5.954 1.00 0.00 S ATOM 0 H CYS A 21 -3.097 -5.023 4.126 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.176 -7.125 6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.464 -5.424 7.500 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.819 -4.929 7.151 1.00 0.00 H new ATOM 273 N LYS A 22 -5.327 -6.450 3.960 1.00 0.00 N ATOM 274 CA LYS A 22 -6.611 -6.818 3.376 1.00 0.00 C ATOM 275 C LYS A 22 -7.754 -6.080 4.066 1.00 0.00 C ATOM 276 O LYS A 22 -8.689 -6.700 4.573 1.00 0.00 O ATOM 277 CB LYS A 22 -6.828 -8.329 3.481 1.00 0.00 C ATOM 278 CG LYS A 22 -5.619 -9.148 3.061 1.00 0.00 C ATOM 279 CD LYS A 22 -5.327 -8.990 1.579 1.00 0.00 C ATOM 280 CE LYS A 22 -6.136 -9.971 0.744 1.00 0.00 C ATOM 281 NZ LYS A 22 -7.501 -9.455 0.449 1.00 0.00 N ATOM 0 H LYS A 22 -4.693 -5.975 3.318 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.599 -6.531 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.087 -8.580 4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.679 -8.609 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.749 -8.837 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.794 -10.200 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.556 -7.971 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.264 -9.147 1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.613 -10.169 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.213 -10.921 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.791 -9.764 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.171 -9.825 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.495 -8.416 0.489 1.00 0.00 H new ATOM 295 N ASN A 23 -7.674 -4.754 4.081 1.00 0.00 N ATOM 296 CA ASN A 23 -8.702 -3.932 4.708 1.00 0.00 C ATOM 297 C ASN A 23 -8.970 -2.674 3.887 1.00 0.00 C ATOM 298 O ASN A 23 -8.157 -2.258 3.061 1.00 0.00 O ATOM 299 CB ASN A 23 -8.282 -3.548 6.128 1.00 0.00 C ATOM 300 CG ASN A 23 -8.721 -4.571 7.158 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.916 -4.781 7.371 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.755 -5.214 7.803 1.00 0.00 N ATOM 0 H ASN A 23 -6.907 -4.225 3.666 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.621 -4.517 4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.198 -3.440 6.167 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.708 -2.577 6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.990 -5.914 8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.778 -5.008 7.595 1.00 0.00 H new ATOM 309 N PRO A 24 -10.136 -2.053 4.119 1.00 0.00 N ATOM 310 CA PRO A 24 -10.537 -0.833 3.412 1.00 0.00 C ATOM 311 C PRO A 24 -9.700 0.375 3.819 1.00 0.00 C ATOM 312 O PRO A 24 -9.428 0.583 5.002 1.00 0.00 O ATOM 313 CB PRO A 24 -11.995 -0.641 3.836 1.00 0.00 C ATOM 314 CG PRO A 24 -12.100 -1.328 5.153 1.00 0.00 C ATOM 315 CD PRO A 24 -11.152 -2.493 5.090 1.00 0.00 C ATOM 0 HA PRO A 24 -10.400 -0.923 2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.247 0.416 3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.680 -1.075 3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.835 -0.653 5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.120 -1.665 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.712 -2.706 6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.654 -3.403 4.762 1.00 0.00 H new ATOM 323 N ILE A 25 -9.295 1.167 2.833 1.00 0.00 N ATOM 324 CA ILE A 25 -8.490 2.355 3.089 1.00 0.00 C ATOM 325 C ILE A 25 -9.367 3.596 3.217 1.00 0.00 C ATOM 326 O ILE A 25 -9.422 4.427 2.310 1.00 0.00 O ATOM 327 CB ILE A 25 -7.453 2.585 1.974 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.694 1.290 1.679 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.489 3.694 2.368 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.666 1.430 0.578 1.00 0.00 C ATOM 0 H ILE A 25 -9.511 1.008 1.849 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.967 2.184 4.030 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.976 2.891 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.197 0.954 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.408 0.515 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.762 3.845 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.044 4.617 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.969 3.415 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.167 0.474 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.160 1.735 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.930 2.182 0.861 1.00 0.00 H new ATOM 342 N THR A 26 -10.052 3.717 4.350 1.00 0.00 N ATOM 343 CA THR A 26 -10.926 4.856 4.597 1.00 0.00 C ATOM 344 C THR A 26 -10.167 5.996 5.266 1.00 0.00 C ATOM 345 O THR A 26 -9.518 5.805 6.294 1.00 0.00 O ATOM 346 CB THR A 26 -12.124 4.464 5.482 1.00 0.00 C ATOM 347 OG1 THR A 26 -11.681 4.205 6.819 1.00 0.00 O ATOM 348 CG2 THR A 26 -12.826 3.233 4.928 1.00 0.00 C ATOM 0 H THR A 26 -10.018 3.039 5.111 1.00 0.00 H new ATOM 0 HA THR A 26 -11.294 5.188 3.626 1.00 0.00 H new ATOM 0 HB THR A 26 -12.830 5.294 5.488 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.873 4.727 7.003 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.669 2.975 5.570 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.187 3.442 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.126 2.398 4.896 1.00 0.00 H new ATOM 356 N GLY A 27 -10.253 7.185 4.677 1.00 0.00 N ATOM 357 CA GLY A 27 -9.569 8.339 5.230 1.00 0.00 C ATOM 358 C GLY A 27 -9.439 9.471 4.230 1.00 0.00 C ATOM 359 O GLY A 27 -8.337 9.789 3.783 1.00 0.00 O ATOM 0 H GLY A 27 -10.785 7.369 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.111 8.693 6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.576 8.041 5.568 1.00 0.00 H new ATOM 363 N PHE A 28 -10.566 10.079 3.877 1.00 0.00 N ATOM 364 CA PHE A 28 -10.574 11.180 2.921 1.00 0.00 C ATOM 365 C PHE A 28 -10.118 12.478 3.582 1.00 0.00 C ATOM 366 O PHE A 28 -10.423 12.735 4.745 1.00 0.00 O ATOM 367 CB PHE A 28 -11.973 11.360 2.329 1.00 0.00 C ATOM 368 CG PHE A 28 -12.482 10.142 1.613 1.00 0.00 C ATOM 369 CD1 PHE A 28 -12.144 9.908 0.290 1.00 0.00 C ATOM 370 CD2 PHE A 28 -13.299 9.231 2.263 1.00 0.00 C ATOM 371 CE1 PHE A 28 -12.612 8.788 -0.372 1.00 0.00 C ATOM 372 CE2 PHE A 28 -13.770 8.109 1.607 1.00 0.00 C ATOM 373 CZ PHE A 28 -13.425 7.887 0.288 1.00 0.00 C ATOM 0 H PHE A 28 -11.486 9.828 4.239 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.877 10.937 2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.667 11.618 3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.960 12.201 1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.508 10.609 -0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.571 9.400 3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.342 8.618 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.407 7.407 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.790 7.010 -0.226 1.00 0.00 H new ATOM 383 N GLY A 29 -9.384 13.292 2.829 1.00 0.00 N ATOM 384 CA GLY A 29 -8.896 14.553 3.359 1.00 0.00 C ATOM 385 C GLY A 29 -7.478 14.857 2.918 1.00 0.00 C ATOM 386 O GLY A 29 -6.787 13.990 2.383 1.00 0.00 O ATOM 0 H GLY A 29 -9.119 13.101 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.555 15.359 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.937 14.526 4.448 1.00 0.00 H new ATOM 390 N LYS A 30 -7.043 16.092 3.143 1.00 0.00 N ATOM 391 CA LYS A 30 -5.698 16.510 2.765 1.00 0.00 C ATOM 392 C LYS A 30 -4.676 16.053 3.801 1.00 0.00 C ATOM 393 O LYS A 30 -4.892 16.193 5.004 1.00 0.00 O ATOM 394 CB LYS A 30 -5.639 18.031 2.611 1.00 0.00 C ATOM 395 CG LYS A 30 -6.228 18.534 1.305 1.00 0.00 C ATOM 396 CD LYS A 30 -6.474 20.033 1.344 1.00 0.00 C ATOM 397 CE LYS A 30 -7.549 20.447 0.351 1.00 0.00 C ATOM 398 NZ LYS A 30 -7.077 20.333 -1.057 1.00 0.00 N ATOM 0 H LYS A 30 -7.602 16.821 3.585 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.454 16.045 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.172 18.493 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.600 18.355 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.551 18.297 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.166 18.016 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.773 20.328 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.547 20.561 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.432 19.823 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.851 21.475 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.838 20.624 -1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.250 20.948 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.812 19.347 -1.256 1.00 0.00 H new ATOM 412 N GLY A 31 -3.560 15.508 3.325 1.00 0.00 N ATOM 413 CA GLY A 31 -2.521 15.041 4.224 1.00 0.00 C ATOM 414 C GLY A 31 -2.586 13.544 4.458 1.00 0.00 C ATOM 415 O GLY A 31 -2.878 13.094 5.566 1.00 0.00 O ATOM 0 H GLY A 31 -3.357 15.382 2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.545 15.299 3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.611 15.559 5.179 1.00 0.00 H new ATOM 419 N SER A 32 -2.316 12.771 3.411 1.00 0.00 N ATOM 420 CA SER A 32 -2.351 11.316 3.506 1.00 0.00 C ATOM 421 C SER A 32 -1.001 10.715 3.125 1.00 0.00 C ATOM 422 O SER A 32 -0.481 10.968 2.038 1.00 0.00 O ATOM 423 CB SER A 32 -3.448 10.751 2.602 1.00 0.00 C ATOM 424 OG SER A 32 -3.443 9.334 2.619 1.00 0.00 O ATOM 0 H SER A 32 -2.071 13.128 2.487 1.00 0.00 H new ATOM 0 HA SER A 32 -2.570 11.048 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.420 11.118 2.931 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.302 11.106 1.582 1.00 0.00 H new ATOM 0 HG SER A 32 -4.312 9.000 2.314 1.00 0.00 H new ATOM 430 N SER A 33 -0.440 9.916 4.027 1.00 0.00 N ATOM 431 CA SER A 33 0.850 9.281 3.789 1.00 0.00 C ATOM 432 C SER A 33 0.667 7.851 3.288 1.00 0.00 C ATOM 433 O SER A 33 1.518 6.990 3.510 1.00 0.00 O ATOM 434 CB SER A 33 1.688 9.281 5.069 1.00 0.00 C ATOM 435 OG SER A 33 1.839 10.595 5.579 1.00 0.00 O ATOM 0 H SER A 33 -0.859 9.693 4.930 1.00 0.00 H new ATOM 0 HA SER A 33 1.372 9.853 3.022 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.213 8.649 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.669 8.851 4.865 1.00 0.00 H new ATOM 0 HG SER A 33 2.377 10.568 6.398 1.00 0.00 H new ATOM 441 N VAL A 34 -0.450 7.607 2.610 1.00 0.00 N ATOM 442 CA VAL A 34 -0.746 6.283 2.076 1.00 0.00 C ATOM 443 C VAL A 34 -0.105 6.087 0.706 1.00 0.00 C ATOM 444 O VAL A 34 0.103 7.047 -0.037 1.00 0.00 O ATOM 445 CB VAL A 34 -2.264 6.051 1.958 1.00 0.00 C ATOM 446 CG1 VAL A 34 -2.863 6.963 0.898 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.557 4.592 1.646 1.00 0.00 C ATOM 0 H VAL A 34 -1.165 8.309 2.418 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.329 5.559 2.776 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.727 6.294 2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.936 6.785 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.685 8.003 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.398 6.755 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.634 4.446 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.083 4.319 0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.164 3.963 2.445 1.00 0.00 H new ATOM 457 N VAL A 35 0.205 4.837 0.377 1.00 0.00 N ATOM 458 CA VAL A 35 0.821 4.515 -0.905 1.00 0.00 C ATOM 459 C VAL A 35 -0.217 4.009 -1.901 1.00 0.00 C ATOM 460 O VAL A 35 -1.212 3.395 -1.518 1.00 0.00 O ATOM 461 CB VAL A 35 1.924 3.452 -0.745 1.00 0.00 C ATOM 462 CG1 VAL A 35 2.683 3.269 -2.051 1.00 0.00 C ATOM 463 CG2 VAL A 35 2.872 3.833 0.382 1.00 0.00 C ATOM 0 H VAL A 35 0.040 4.031 0.980 1.00 0.00 H new ATOM 0 HA VAL A 35 1.265 5.435 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 35 1.454 2.502 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.458 2.514 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.993 2.947 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.142 4.214 -2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.645 3.071 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.336 4.793 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.315 3.908 1.316 1.00 0.00 H new ATOM 473 N ALA A 36 0.024 4.271 -3.181 1.00 0.00 N ATOM 474 CA ALA A 36 -0.888 3.840 -4.233 1.00 0.00 C ATOM 475 C ALA A 36 -0.123 3.285 -5.430 1.00 0.00 C ATOM 476 O ALA A 36 0.881 3.856 -5.856 1.00 0.00 O ATOM 477 CB ALA A 36 -1.780 4.996 -4.665 1.00 0.00 C ATOM 0 H ALA A 36 0.843 4.780 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.513 3.042 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.456 4.660 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.361 5.346 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.162 5.811 -5.042 1.00 0.00 H new ATOM 483 N TYR A 37 -0.604 2.168 -5.966 1.00 0.00 N ATOM 484 CA TYR A 37 0.037 1.534 -7.112 1.00 0.00 C ATOM 485 C TYR A 37 -0.982 1.222 -8.203 1.00 0.00 C ATOM 486 O TYR A 37 -2.128 1.667 -8.142 1.00 0.00 O ATOM 487 CB TYR A 37 0.747 0.250 -6.679 1.00 0.00 C ATOM 488 CG TYR A 37 2.106 0.065 -7.317 1.00 0.00 C ATOM 489 CD1 TYR A 37 3.084 1.046 -7.212 1.00 0.00 C ATOM 490 CD2 TYR A 37 2.412 -1.092 -8.022 1.00 0.00 C ATOM 491 CE1 TYR A 37 4.326 0.882 -7.794 1.00 0.00 C ATOM 492 CE2 TYR A 37 3.652 -1.266 -8.606 1.00 0.00 C ATOM 493 CZ TYR A 37 4.605 -0.276 -8.489 1.00 0.00 C ATOM 494 OH TYR A 37 5.842 -0.445 -9.068 1.00 0.00 O ATOM 0 H TYR A 37 -1.435 1.684 -5.625 1.00 0.00 H new ATOM 0 HA TYR A 37 0.772 2.230 -7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.862 0.256 -5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.118 -0.605 -6.928 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.870 1.953 -6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.668 -1.869 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.074 1.656 -7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.874 -2.172 -9.151 1.00 0.00 H new ATOM 0 HH TYR A 37 5.876 -1.315 -9.519 1.00 0.00 H new ATOM 504 N GLU A 38 -0.556 0.452 -9.199 1.00 0.00 N ATOM 505 CA GLU A 38 -1.432 0.080 -10.305 1.00 0.00 C ATOM 506 C GLU A 38 -2.518 -0.885 -9.837 1.00 0.00 C ATOM 507 O GLU A 38 -2.383 -2.100 -9.969 1.00 0.00 O ATOM 508 CB GLU A 38 -0.621 -0.557 -11.435 1.00 0.00 C ATOM 509 CG GLU A 38 0.299 -1.673 -10.970 1.00 0.00 C ATOM 510 CD GLU A 38 0.371 -2.821 -11.959 1.00 0.00 C ATOM 511 OE1 GLU A 38 0.469 -2.550 -13.174 1.00 0.00 O ATOM 512 OE2 GLU A 38 0.328 -3.988 -11.518 1.00 0.00 O ATOM 0 H GLU A 38 0.389 0.074 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.910 0.986 -10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.307 -0.952 -12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.025 0.214 -11.922 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.300 -1.271 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.049 -2.049 -10.008 1.00 0.00 H new ATOM 519 N GLY A 39 -3.596 -0.332 -9.288 1.00 0.00 N ATOM 520 CA GLY A 39 -4.689 -1.157 -8.809 1.00 0.00 C ATOM 521 C GLY A 39 -4.491 -1.606 -7.374 1.00 0.00 C ATOM 522 O GLY A 39 -5.406 -2.148 -6.756 1.00 0.00 O ATOM 0 H GLY A 39 -3.731 0.672 -9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.622 -0.599 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.787 -2.033 -9.450 1.00 0.00 H new ATOM 526 N GLN A 40 -3.293 -1.380 -6.846 1.00 0.00 N ATOM 527 CA GLN A 40 -2.978 -1.768 -5.476 1.00 0.00 C ATOM 528 C GLN A 40 -2.717 -0.540 -4.609 1.00 0.00 C ATOM 529 O GLN A 40 -2.685 0.586 -5.105 1.00 0.00 O ATOM 530 CB GLN A 40 -1.759 -2.692 -5.452 1.00 0.00 C ATOM 531 CG GLN A 40 -1.846 -3.839 -6.445 1.00 0.00 C ATOM 532 CD GLN A 40 -3.042 -4.737 -6.196 1.00 0.00 C ATOM 533 OE1 GLN A 40 -4.083 -4.597 -6.839 1.00 0.00 O ATOM 534 NE2 GLN A 40 -2.900 -5.666 -5.258 1.00 0.00 N ATOM 0 H GLN A 40 -2.525 -0.931 -7.345 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.837 -2.302 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.865 -2.106 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.642 -3.100 -4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.904 -3.436 -7.456 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.933 -4.432 -6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.020 -5.747 -4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.671 -6.299 -5.046 1.00 0.00 H new ATOM 543 N SER A 41 -2.531 -0.766 -3.313 1.00 0.00 N ATOM 544 CA SER A 41 -2.277 0.322 -2.376 1.00 0.00 C ATOM 545 C SER A 41 -1.850 -0.220 -1.015 1.00 0.00 C ATOM 546 O SER A 41 -2.322 -1.269 -0.578 1.00 0.00 O ATOM 547 CB SER A 41 -3.526 1.193 -2.222 1.00 0.00 C ATOM 548 OG SER A 41 -3.590 2.177 -3.239 1.00 0.00 O ATOM 0 H SER A 41 -2.551 -1.693 -2.888 1.00 0.00 H new ATOM 0 HA SER A 41 -1.465 0.930 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.417 0.567 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.518 1.676 -1.245 1.00 0.00 H new ATOM 0 HG SER A 41 -3.562 1.742 -4.117 1.00 0.00 H new ATOM 554 N TRP A 42 -0.954 0.502 -0.352 1.00 0.00 N ATOM 555 CA TRP A 42 -0.463 0.094 0.959 1.00 0.00 C ATOM 556 C TRP A 42 -0.491 1.262 1.939 1.00 0.00 C ATOM 557 O TRP A 42 -0.116 2.383 1.594 1.00 0.00 O ATOM 558 CB TRP A 42 0.959 -0.458 0.844 1.00 0.00 C ATOM 559 CG TRP A 42 1.021 -1.812 0.205 1.00 0.00 C ATOM 560 CD1 TRP A 42 1.174 -3.012 0.839 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.933 -2.104 -1.194 1.00 0.00 C ATOM 562 NE1 TRP A 42 1.187 -4.032 -0.081 1.00 0.00 N ATOM 563 CE2 TRP A 42 1.040 -3.502 -1.336 1.00 0.00 C ATOM 564 CE3 TRP A 42 0.773 -1.321 -2.341 1.00 0.00 C ATOM 565 CZ2 TRP A 42 0.992 -4.129 -2.577 1.00 0.00 C ATOM 566 CZ3 TRP A 42 0.726 -1.946 -3.572 1.00 0.00 C ATOM 567 CH2 TRP A 42 0.834 -3.339 -3.683 1.00 0.00 C ATOM 0 H TRP A 42 -0.553 1.373 -0.701 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.120 -0.689 1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.565 0.238 0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.401 -0.513 1.839 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.271 -3.140 1.907 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.290 -5.024 0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.688 -0.247 -2.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.077 -5.202 -2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.604 -1.351 -4.465 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.792 -3.798 -4.660 1.00 0.00 H new ATOM 578 N HIS A 43 -0.937 0.992 3.161 1.00 0.00 N ATOM 579 CA HIS A 43 -1.012 2.022 4.192 1.00 0.00 C ATOM 580 C HIS A 43 0.378 2.548 4.537 1.00 0.00 C ATOM 581 O HIS A 43 1.383 1.882 4.291 1.00 0.00 O ATOM 582 CB HIS A 43 -1.687 1.469 5.447 1.00 0.00 C ATOM 583 CG HIS A 43 -3.147 1.185 5.267 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.697 -0.067 5.442 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.172 2.000 4.926 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.997 -0.010 5.215 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.311 1.234 4.901 1.00 0.00 N ATOM 0 H HIS A 43 -1.252 0.070 3.462 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.607 2.848 3.803 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.181 0.551 5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.562 2.183 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.106 3.057 4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.686 -0.839 5.276 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.247 1.571 4.677 1.00 0.00 H new ATOM 595 N ASP A 44 0.426 3.748 5.106 1.00 0.00 N ATOM 596 CA ASP A 44 1.693 4.363 5.485 1.00 0.00 C ATOM 597 C ASP A 44 2.463 3.470 6.452 1.00 0.00 C ATOM 598 O ASP A 44 3.690 3.538 6.533 1.00 0.00 O ATOM 599 CB ASP A 44 1.448 5.733 6.121 1.00 0.00 C ATOM 600 CG ASP A 44 1.042 5.630 7.578 1.00 0.00 C ATOM 601 OD1 ASP A 44 0.066 4.909 7.873 1.00 0.00 O ATOM 602 OD2 ASP A 44 1.700 6.272 8.424 1.00 0.00 O ATOM 0 H ASP A 44 -0.397 4.313 5.315 1.00 0.00 H new ATOM 0 HA ASP A 44 2.291 4.491 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.353 6.335 6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.668 6.254 5.565 1.00 0.00 H new ATOM 607 N TYR A 45 1.736 2.634 7.185 1.00 0.00 N ATOM 608 CA TYR A 45 2.350 1.730 8.149 1.00 0.00 C ATOM 609 C TYR A 45 2.499 0.329 7.564 1.00 0.00 C ATOM 610 O TYR A 45 3.283 -0.483 8.057 1.00 0.00 O ATOM 611 CB TYR A 45 1.516 1.673 9.430 1.00 0.00 C ATOM 612 CG TYR A 45 0.221 0.908 9.276 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.898 1.505 8.709 1.00 0.00 C ATOM 614 CD2 TYR A 45 0.116 -0.412 9.699 1.00 0.00 C ATOM 615 CE1 TYR A 45 -2.084 0.810 8.567 1.00 0.00 C ATOM 616 CE2 TYR A 45 -1.064 -1.115 9.559 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.162 -0.500 8.993 1.00 0.00 C ATOM 618 OH TYR A 45 -3.340 -1.196 8.854 1.00 0.00 O ATOM 0 H TYR A 45 0.720 2.564 7.129 1.00 0.00 H new ATOM 0 HA TYR A 45 3.343 2.113 8.386 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.109 1.211 10.219 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.291 2.690 9.753 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.840 2.530 8.373 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.972 -0.896 10.145 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.945 1.290 8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.127 -2.141 9.891 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.226 -2.105 9.202 1.00 0.00 H new ATOM 628 N CYS A 46 1.742 0.052 6.508 1.00 0.00 N ATOM 629 CA CYS A 46 1.788 -1.249 5.853 1.00 0.00 C ATOM 630 C CYS A 46 2.933 -1.311 4.846 1.00 0.00 C ATOM 631 O CYS A 46 3.564 -2.354 4.670 1.00 0.00 O ATOM 632 CB CYS A 46 0.460 -1.537 5.150 1.00 0.00 C ATOM 633 SG CYS A 46 -0.839 -2.185 6.251 1.00 0.00 S ATOM 0 H CYS A 46 1.088 0.712 6.087 1.00 0.00 H new ATOM 0 HA CYS A 46 1.958 -2.007 6.618 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.102 -0.619 4.684 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.634 -2.255 4.349 1.00 0.00 H new ATOM 638 N PHE A 47 3.196 -0.187 4.187 1.00 0.00 N ATOM 639 CA PHE A 47 4.264 -0.113 3.197 1.00 0.00 C ATOM 640 C PHE A 47 5.633 -0.145 3.871 1.00 0.00 C ATOM 641 O PHE A 47 6.121 0.876 4.357 1.00 0.00 O ATOM 642 CB PHE A 47 4.124 1.159 2.359 1.00 0.00 C ATOM 643 CG PHE A 47 4.682 1.027 0.971 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.272 -0.003 0.140 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.616 1.934 0.496 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.784 -0.128 -1.137 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.132 1.815 -0.781 1.00 0.00 C ATOM 648 CZ PHE A 47 5.715 0.783 -1.599 1.00 0.00 C ATOM 0 H PHE A 47 2.684 0.685 4.321 1.00 0.00 H new ATOM 0 HA PHE A 47 4.181 -0.981 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.070 1.427 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.631 1.978 2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.543 -0.717 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.945 2.743 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.457 -0.937 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.860 2.528 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.116 0.688 -2.597 1.00 0.00 H new ATOM 658 N HIS A 48 6.247 -1.323 3.895 1.00 0.00 N ATOM 659 CA HIS A 48 7.560 -1.489 4.509 1.00 0.00 C ATOM 660 C HIS A 48 8.261 -2.730 3.966 1.00 0.00 C ATOM 661 O HIS A 48 7.612 -3.683 3.532 1.00 0.00 O ATOM 662 CB HIS A 48 7.427 -1.587 6.029 1.00 0.00 C ATOM 663 CG HIS A 48 6.457 -2.636 6.478 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.344 -2.354 7.243 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.436 -3.973 6.265 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.682 -3.472 7.482 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.324 -4.469 6.900 1.00 0.00 N ATOM 0 H HIS A 48 5.857 -2.177 3.497 1.00 0.00 H new ATOM 0 HA HIS A 48 8.163 -0.616 4.261 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.406 -1.801 6.458 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.112 -0.620 6.421 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.074 -1.427 7.573 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.159 -4.543 5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.771 -3.556 8.056 1.00 0.00 H new ATOM 675 N CYS A 49 9.589 -2.713 3.992 1.00 0.00 N ATOM 676 CA CYS A 49 10.379 -3.836 3.502 1.00 0.00 C ATOM 677 C CYS A 49 9.934 -5.141 4.157 1.00 0.00 C ATOM 678 O CYS A 49 9.452 -5.148 5.290 1.00 0.00 O ATOM 679 CB CYS A 49 11.866 -3.598 3.773 1.00 0.00 C ATOM 680 SG CYS A 49 12.976 -4.726 2.871 1.00 0.00 S ATOM 0 H CYS A 49 10.141 -1.933 4.348 1.00 0.00 H new ATOM 0 HA CYS A 49 10.221 -3.917 2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.113 -2.571 3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.051 -3.702 4.842 1.00 0.00 H new ATOM 685 N LYS A 50 10.099 -6.244 3.436 1.00 0.00 N ATOM 686 CA LYS A 50 9.717 -7.556 3.945 1.00 0.00 C ATOM 687 C LYS A 50 10.937 -8.320 4.451 1.00 0.00 C ATOM 688 O LYS A 50 10.931 -9.549 4.512 1.00 0.00 O ATOM 689 CB LYS A 50 9.013 -8.365 2.853 1.00 0.00 C ATOM 690 CG LYS A 50 8.020 -9.379 3.392 1.00 0.00 C ATOM 691 CD LYS A 50 6.794 -8.700 3.980 1.00 0.00 C ATOM 692 CE LYS A 50 5.717 -9.712 4.342 1.00 0.00 C ATOM 693 NZ LYS A 50 6.137 -10.592 5.467 1.00 0.00 N ATOM 0 H LYS A 50 10.495 -6.256 2.496 1.00 0.00 H new ATOM 0 HA LYS A 50 9.031 -7.408 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.493 -7.680 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.763 -8.885 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.715 -10.052 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.501 -9.990 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.079 -8.137 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.395 -7.983 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.802 -9.186 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.486 -10.323 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.357 -11.233 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.966 -11.151 5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.382 -10.008 6.292 1.00 0.00 H new ATOM 707 N LYS A 51 11.981 -7.583 4.815 1.00 0.00 N ATOM 708 CA LYS A 51 13.207 -8.190 5.320 1.00 0.00 C ATOM 709 C LYS A 51 13.702 -7.461 6.565 1.00 0.00 C ATOM 710 O LYS A 51 13.799 -8.048 7.643 1.00 0.00 O ATOM 711 CB LYS A 51 14.291 -8.171 4.240 1.00 0.00 C ATOM 712 CG LYS A 51 15.266 -9.332 4.336 1.00 0.00 C ATOM 713 CD LYS A 51 16.044 -9.516 3.044 1.00 0.00 C ATOM 714 CE LYS A 51 16.609 -10.923 2.929 1.00 0.00 C ATOM 715 NZ LYS A 51 17.760 -11.136 3.849 1.00 0.00 N ATOM 0 H LYS A 51 12.003 -6.564 4.770 1.00 0.00 H new ATOM 0 HA LYS A 51 12.988 -9.223 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.815 -8.187 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.845 -7.235 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.960 -9.158 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.721 -10.247 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.392 -9.314 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.857 -8.792 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.826 -11.648 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.927 -11.104 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.116 -12.107 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.517 -10.461 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.451 -10.989 4.831 1.00 0.00 H new ATOM 729 N CYS A 52 14.014 -6.178 6.410 1.00 0.00 N ATOM 730 CA CYS A 52 14.498 -5.369 7.521 1.00 0.00 C ATOM 731 C CYS A 52 13.347 -4.632 8.200 1.00 0.00 C ATOM 732 O CYS A 52 13.503 -4.086 9.292 1.00 0.00 O ATOM 733 CB CYS A 52 15.542 -4.364 7.030 1.00 0.00 C ATOM 734 SG CYS A 52 14.923 -3.204 5.769 1.00 0.00 S ATOM 0 H CYS A 52 13.940 -5.677 5.525 1.00 0.00 H new ATOM 0 HA CYS A 52 14.959 -6.036 8.249 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.911 -3.794 7.883 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.392 -4.910 6.620 1.00 0.00 H new ATOM 739 N SER A 53 12.190 -4.622 7.544 1.00 0.00 N ATOM 740 CA SER A 53 11.013 -3.950 8.082 1.00 0.00 C ATOM 741 C SER A 53 11.253 -2.448 8.204 1.00 0.00 C ATOM 742 O SER A 53 11.140 -1.875 9.287 1.00 0.00 O ATOM 743 CB SER A 53 10.647 -4.531 9.449 1.00 0.00 C ATOM 744 OG SER A 53 10.879 -5.929 9.487 1.00 0.00 O ATOM 0 H SER A 53 12.043 -5.071 6.640 1.00 0.00 H new ATOM 0 HA SER A 53 10.185 -4.114 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.234 -4.040 10.225 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.598 -4.327 9.666 1.00 0.00 H new ATOM 0 HG SER A 53 10.639 -6.276 10.371 1.00 0.00 H new ATOM 750 N VAL A 54 11.586 -1.815 7.083 1.00 0.00 N ATOM 751 CA VAL A 54 11.841 -0.380 7.062 1.00 0.00 C ATOM 752 C VAL A 54 10.673 0.377 6.439 1.00 0.00 C ATOM 753 O VAL A 54 10.021 -0.115 5.519 1.00 0.00 O ATOM 754 CB VAL A 54 13.127 -0.050 6.281 1.00 0.00 C ATOM 755 CG1 VAL A 54 12.955 -0.378 4.805 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.505 1.411 6.470 1.00 0.00 C ATOM 0 H VAL A 54 11.685 -2.274 6.178 1.00 0.00 H new ATOM 0 HA VAL A 54 11.963 -0.065 8.098 1.00 0.00 H new ATOM 0 HB VAL A 54 13.937 -0.665 6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.874 -0.138 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.735 -1.440 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.133 0.209 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.416 1.626 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.697 2.046 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.673 1.609 7.529 1.00 0.00 H new ATOM 766 N ASN A 55 10.415 1.577 6.947 1.00 0.00 N ATOM 767 CA ASN A 55 9.325 2.403 6.441 1.00 0.00 C ATOM 768 C ASN A 55 9.683 3.006 5.086 1.00 0.00 C ATOM 769 O ASN A 55 10.546 3.880 4.991 1.00 0.00 O ATOM 770 CB ASN A 55 8.997 3.518 7.437 1.00 0.00 C ATOM 771 CG ASN A 55 7.748 4.287 7.053 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.819 5.300 6.357 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.595 3.808 7.507 1.00 0.00 N ATOM 0 H ASN A 55 10.946 1.999 7.709 1.00 0.00 H new ATOM 0 HA ASN A 55 8.449 1.767 6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.865 3.087 8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.840 4.206 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.721 4.283 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.584 2.965 8.081 1.00 0.00 H new ATOM 780 N LEU A 56 9.014 2.534 4.040 1.00 0.00 N ATOM 781 CA LEU A 56 9.261 3.027 2.689 1.00 0.00 C ATOM 782 C LEU A 56 8.070 3.831 2.176 1.00 0.00 C ATOM 783 O LEU A 56 7.880 3.977 0.969 1.00 0.00 O ATOM 784 CB LEU A 56 9.547 1.859 1.744 1.00 0.00 C ATOM 785 CG LEU A 56 10.765 1.001 2.087 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.678 -0.351 1.395 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.050 1.718 1.698 1.00 0.00 C ATOM 0 H LEU A 56 8.297 1.811 4.101 1.00 0.00 H new ATOM 0 HA LEU A 56 10.131 3.683 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.669 1.214 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.679 2.256 0.738 1.00 0.00 H new ATOM 0 HG LEU A 56 10.776 0.836 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.553 -0.948 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.777 -0.870 1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.641 -0.205 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.906 1.092 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.047 1.915 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.118 2.661 2.240 1.00 0.00 H new ATOM 799 N ALA A 57 7.272 4.351 3.103 1.00 0.00 N ATOM 800 CA ALA A 57 6.102 5.144 2.745 1.00 0.00 C ATOM 801 C ALA A 57 6.500 6.378 1.942 1.00 0.00 C ATOM 802 O ALA A 57 7.213 7.249 2.438 1.00 0.00 O ATOM 803 CB ALA A 57 5.337 5.550 3.996 1.00 0.00 C ATOM 0 H ALA A 57 7.414 4.238 4.107 1.00 0.00 H new ATOM 0 HA ALA A 57 5.454 4.529 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.466 6.142 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.012 4.657 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.984 6.143 4.642 1.00 0.00 H new ATOM 809 N ASN A 58 6.034 6.445 0.699 1.00 0.00 N ATOM 810 CA ASN A 58 6.343 7.572 -0.173 1.00 0.00 C ATOM 811 C ASN A 58 7.845 7.672 -0.423 1.00 0.00 C ATOM 812 O ASN A 58 8.368 8.748 -0.711 1.00 0.00 O ATOM 813 CB ASN A 58 5.830 8.876 0.442 1.00 0.00 C ATOM 814 CG ASN A 58 4.466 8.713 1.085 1.00 0.00 C ATOM 815 OD1 ASN A 58 4.267 9.074 2.245 1.00 0.00 O ATOM 816 ND2 ASN A 58 3.518 8.168 0.331 1.00 0.00 N ATOM 0 H ASN A 58 5.441 5.732 0.273 1.00 0.00 H new ATOM 0 HA ASN A 58 5.844 7.407 -1.128 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.542 9.227 1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.775 9.643 -0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.580 8.034 0.709 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.728 7.883 -0.626 1.00 0.00 H new ATOM 823 N LYS A 59 8.534 6.541 -0.311 1.00 0.00 N ATOM 824 CA LYS A 59 9.975 6.498 -0.526 1.00 0.00 C ATOM 825 C LYS A 59 10.328 5.542 -1.661 1.00 0.00 C ATOM 826 O LYS A 59 9.446 4.951 -2.284 1.00 0.00 O ATOM 827 CB LYS A 59 10.691 6.069 0.757 1.00 0.00 C ATOM 828 CG LYS A 59 10.579 7.083 1.883 1.00 0.00 C ATOM 829 CD LYS A 59 11.123 6.527 3.189 1.00 0.00 C ATOM 830 CE LYS A 59 12.614 6.793 3.330 1.00 0.00 C ATOM 831 NZ LYS A 59 13.427 5.806 2.567 1.00 0.00 N ATOM 0 H LYS A 59 8.117 5.641 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 59 10.305 7.499 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.278 5.118 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.745 5.899 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.126 7.987 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.535 7.369 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.591 6.977 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.938 5.454 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.839 7.799 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.892 6.756 4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.328 5.644 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.906 4.909 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.616 6.175 1.613 1.00 0.00 H new ATOM 845 N ARG A 60 11.622 5.394 -1.923 1.00 0.00 N ATOM 846 CA ARG A 60 12.091 4.509 -2.983 1.00 0.00 C ATOM 847 C ARG A 60 12.042 3.051 -2.535 1.00 0.00 C ATOM 848 O ARG A 60 12.464 2.717 -1.428 1.00 0.00 O ATOM 849 CB ARG A 60 13.517 4.880 -3.393 1.00 0.00 C ATOM 850 CG ARG A 60 13.836 4.561 -4.845 1.00 0.00 C ATOM 851 CD ARG A 60 15.051 5.336 -5.332 1.00 0.00 C ATOM 852 NE ARG A 60 16.302 4.731 -4.883 1.00 0.00 N ATOM 853 CZ ARG A 60 17.470 5.362 -4.898 1.00 0.00 C ATOM 854 NH1 ARG A 60 17.547 6.611 -5.337 1.00 0.00 N ATOM 855 NH2 ARG A 60 18.565 4.745 -4.474 1.00 0.00 N ATOM 0 H ARG A 60 12.365 5.875 -1.416 1.00 0.00 H new ATOM 0 HA ARG A 60 11.431 4.630 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.670 5.946 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.220 4.350 -2.750 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.018 3.492 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.975 4.802 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.040 5.380 -6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.995 6.363 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 60 16.277 3.771 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.708 7.089 -5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 60 18.446 7.093 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 60 18.510 3.784 -4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.462 5.231 -4.486 1.00 0.00 H new ATOM 869 N PHE A 61 11.525 2.188 -3.403 1.00 0.00 N ATOM 870 CA PHE A 61 11.419 0.766 -3.096 1.00 0.00 C ATOM 871 C PHE A 61 11.608 -0.077 -4.354 1.00 0.00 C ATOM 872 O PHE A 61 11.878 0.450 -5.434 1.00 0.00 O ATOM 873 CB PHE A 61 10.061 0.459 -2.462 1.00 0.00 C ATOM 874 CG PHE A 61 8.899 0.728 -3.375 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.411 2.015 -3.537 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.293 -0.306 -4.071 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.342 2.265 -4.376 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.224 -0.062 -4.912 1.00 0.00 C ATOM 879 CZ PHE A 61 6.747 1.226 -5.064 1.00 0.00 C ATOM 0 H PHE A 61 11.173 2.448 -4.324 1.00 0.00 H new ATOM 0 HA PHE A 61 12.208 0.513 -2.388 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.039 -0.587 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.948 1.056 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.872 2.832 -3.001 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.661 -1.315 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.972 3.273 -4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.762 -0.877 -5.450 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.911 1.420 -5.719 1.00 0.00 H new ATOM 889 N VAL A 62 11.465 -1.390 -4.206 1.00 0.00 N ATOM 890 CA VAL A 62 11.619 -2.307 -5.329 1.00 0.00 C ATOM 891 C VAL A 62 10.647 -3.476 -5.221 1.00 0.00 C ATOM 892 O VAL A 62 10.811 -4.358 -4.378 1.00 0.00 O ATOM 893 CB VAL A 62 13.056 -2.855 -5.413 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.203 -3.789 -6.604 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.057 -1.712 -5.496 1.00 0.00 C ATOM 0 H VAL A 62 11.243 -1.843 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 62 11.401 -1.739 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 62 13.262 -3.425 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.225 -4.166 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.512 -4.625 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.978 -3.246 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.067 -2.117 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.853 -1.114 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.968 -1.085 -4.609 1.00 0.00 H new ATOM 905 N PHE A 63 9.634 -3.478 -6.081 1.00 0.00 N ATOM 906 CA PHE A 63 8.634 -4.539 -6.083 1.00 0.00 C ATOM 907 C PHE A 63 9.216 -5.834 -6.641 1.00 0.00 C ATOM 908 O PHE A 63 9.713 -5.870 -7.768 1.00 0.00 O ATOM 909 CB PHE A 63 7.414 -4.118 -6.905 1.00 0.00 C ATOM 910 CG PHE A 63 6.130 -4.740 -6.435 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.671 -4.522 -5.146 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.383 -5.543 -7.282 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.490 -5.093 -4.710 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.201 -6.116 -6.852 1.00 0.00 C ATOM 915 CZ PHE A 63 3.755 -5.892 -5.564 1.00 0.00 C ATOM 0 H PHE A 63 9.484 -2.756 -6.786 1.00 0.00 H new ATOM 0 HA PHE A 63 8.325 -4.715 -5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.318 -3.033 -6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.578 -4.388 -7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.242 -3.899 -4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.728 -5.723 -8.289 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.143 -4.915 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.627 -6.738 -7.522 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.833 -6.341 -5.225 1.00 0.00 H new ATOM 925 N HIS A 64 9.151 -6.897 -5.846 1.00 0.00 N ATOM 926 CA HIS A 64 9.671 -8.195 -6.260 1.00 0.00 C ATOM 927 C HIS A 64 8.942 -9.327 -5.542 1.00 0.00 C ATOM 928 O HIS A 64 8.659 -9.236 -4.348 1.00 0.00 O ATOM 929 CB HIS A 64 11.172 -8.280 -5.978 1.00 0.00 C ATOM 930 CG HIS A 64 11.886 -9.283 -6.831 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.005 -9.158 -8.199 1.00 0.00 N ATOM 932 CD2 HIS A 64 12.520 -10.432 -6.503 1.00 0.00 C ATOM 933 CE1 HIS A 64 12.682 -10.188 -8.676 1.00 0.00 C ATOM 934 NE2 HIS A 64 13.006 -10.976 -7.667 1.00 0.00 N ATOM 0 H HIS A 64 8.743 -6.885 -4.911 1.00 0.00 H new ATOM 0 HA HIS A 64 9.503 -8.301 -7.332 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.619 -7.298 -6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.322 -8.535 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.625 -10.845 -5.511 1.00 0.00 H new ATOM 0 HE1 HIS A 64 12.928 -10.357 -9.714 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.532 -11.847 -7.740 1.00 0.00 H new ATOM 942 N GLN A 65 8.640 -10.391 -6.279 1.00 0.00 N ATOM 943 CA GLN A 65 7.942 -11.539 -5.713 1.00 0.00 C ATOM 944 C GLN A 65 6.673 -11.102 -4.989 1.00 0.00 C ATOM 945 O GLN A 65 6.411 -11.527 -3.864 1.00 0.00 O ATOM 946 CB GLN A 65 8.859 -12.294 -4.749 1.00 0.00 C ATOM 947 CG GLN A 65 10.043 -12.960 -5.431 1.00 0.00 C ATOM 948 CD GLN A 65 11.239 -13.108 -4.511 1.00 0.00 C ATOM 949 OE1 GLN A 65 11.115 -12.998 -3.291 1.00 0.00 O ATOM 950 NE2 GLN A 65 12.406 -13.359 -5.092 1.00 0.00 N ATOM 0 H GLN A 65 8.868 -10.482 -7.269 1.00 0.00 H new ATOM 0 HA GLN A 65 7.661 -12.202 -6.531 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.229 -11.600 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.277 -13.053 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.743 -13.944 -5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.331 -12.374 -6.304 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.463 -13.442 -6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.246 -13.469 -4.523 1.00 0.00 H new ATOM 959 N GLU A 66 5.889 -10.250 -5.642 1.00 0.00 N ATOM 960 CA GLU A 66 4.647 -9.754 -5.059 1.00 0.00 C ATOM 961 C GLU A 66 4.902 -9.121 -3.695 1.00 0.00 C ATOM 962 O GLU A 66 4.018 -9.091 -2.839 1.00 0.00 O ATOM 963 CB GLU A 66 3.632 -10.891 -4.925 1.00 0.00 C ATOM 964 CG GLU A 66 3.144 -11.432 -6.258 1.00 0.00 C ATOM 965 CD GLU A 66 2.474 -12.786 -6.127 1.00 0.00 C ATOM 966 OE1 GLU A 66 3.136 -13.734 -5.657 1.00 0.00 O ATOM 967 OE2 GLU A 66 1.285 -12.897 -6.496 1.00 0.00 O ATOM 0 H GLU A 66 6.091 -9.889 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 66 4.242 -8.991 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.083 -11.704 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.776 -10.537 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.442 -10.724 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.987 -11.513 -6.944 1.00 0.00 H new ATOM 974 N GLN A 67 6.116 -8.616 -3.501 1.00 0.00 N ATOM 975 CA GLN A 67 6.487 -7.984 -2.240 1.00 0.00 C ATOM 976 C GLN A 67 7.254 -6.689 -2.485 1.00 0.00 C ATOM 977 O GLN A 67 7.502 -6.309 -3.630 1.00 0.00 O ATOM 978 CB GLN A 67 7.333 -8.939 -1.396 1.00 0.00 C ATOM 979 CG GLN A 67 6.512 -9.827 -0.475 1.00 0.00 C ATOM 980 CD GLN A 67 5.610 -9.033 0.450 1.00 0.00 C ATOM 981 OE1 GLN A 67 5.833 -7.844 0.682 1.00 0.00 O ATOM 982 NE2 GLN A 67 4.585 -9.687 0.983 1.00 0.00 N ATOM 0 H GLN A 67 6.859 -8.632 -4.200 1.00 0.00 H new ATOM 0 HA GLN A 67 5.571 -7.746 -1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.927 -9.568 -2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.034 -8.357 -0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.905 -10.504 -1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.183 -10.445 0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.438 -10.672 0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.944 -9.204 1.613 1.00 0.00 H new ATOM 991 N VAL A 68 7.628 -6.014 -1.403 1.00 0.00 N ATOM 992 CA VAL A 68 8.368 -4.761 -1.500 1.00 0.00 C ATOM 993 C VAL A 68 9.691 -4.844 -0.749 1.00 0.00 C ATOM 994 O VAL A 68 9.737 -5.276 0.404 1.00 0.00 O ATOM 995 CB VAL A 68 7.548 -3.581 -0.946 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.342 -2.287 -1.044 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.223 -3.460 -1.682 1.00 0.00 C ATOM 0 H VAL A 68 7.431 -6.314 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 68 8.565 -4.591 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 68 7.336 -3.771 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.747 -1.464 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.262 -2.380 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.587 -2.088 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.657 -2.621 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.410 -3.293 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.651 -4.379 -1.554 1.00 0.00 H new ATOM 1007 N TYR A 69 10.767 -4.428 -1.408 1.00 0.00 N ATOM 1008 CA TYR A 69 12.093 -4.457 -0.803 1.00 0.00 C ATOM 1009 C TYR A 69 12.867 -3.183 -1.126 1.00 0.00 C ATOM 1010 O TYR A 69 13.087 -2.855 -2.292 1.00 0.00 O ATOM 1011 CB TYR A 69 12.873 -5.679 -1.291 1.00 0.00 C ATOM 1012 CG TYR A 69 12.301 -6.994 -0.811 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.698 -7.546 0.401 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.363 -7.684 -1.569 1.00 0.00 C ATOM 1015 CE1 TYR A 69 12.179 -8.747 0.843 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.837 -8.885 -1.134 1.00 0.00 C ATOM 1017 CZ TYR A 69 11.248 -9.413 0.072 1.00 0.00 C ATOM 1018 OH TYR A 69 10.728 -10.609 0.509 1.00 0.00 O ATOM 0 H TYR A 69 10.747 -4.067 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 69 11.970 -4.521 0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.891 -5.677 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.907 -5.598 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.425 -7.027 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.040 -7.274 -2.515 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.500 -9.163 1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.108 -9.408 -1.735 1.00 0.00 H new ATOM 0 HH TYR A 69 10.085 -10.946 -0.150 1.00 0.00 H new ATOM 1028 N CYS A 70 13.280 -2.469 -0.084 1.00 0.00 N ATOM 1029 CA CYS A 70 14.030 -1.231 -0.254 1.00 0.00 C ATOM 1030 C CYS A 70 15.221 -1.440 -1.185 1.00 0.00 C ATOM 1031 O CYS A 70 15.693 -2.559 -1.388 1.00 0.00 O ATOM 1032 CB CYS A 70 14.513 -0.712 1.102 1.00 0.00 C ATOM 1033 SG CYS A 70 15.306 -1.980 2.143 1.00 0.00 S ATOM 0 H CYS A 70 13.108 -2.727 0.888 1.00 0.00 H new ATOM 0 HA CYS A 70 13.366 -0.492 -0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.219 0.102 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.664 -0.292 1.642 1.00 0.00 H new ATOM 1038 N PRO A 71 15.720 -0.337 -1.763 1.00 0.00 N ATOM 1039 CA PRO A 71 16.863 -0.373 -2.681 1.00 0.00 C ATOM 1040 C PRO A 71 18.023 -1.196 -2.130 1.00 0.00 C ATOM 1041 O PRO A 71 18.702 -1.904 -2.874 1.00 0.00 O ATOM 1042 CB PRO A 71 17.263 1.099 -2.807 1.00 0.00 C ATOM 1043 CG PRO A 71 16.014 1.857 -2.519 1.00 0.00 C ATOM 1044 CD PRO A 71 15.208 1.029 -1.566 1.00 0.00 C ATOM 0 HA PRO A 71 16.608 -0.842 -3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.054 1.356 -2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.641 1.323 -3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.245 2.830 -2.084 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.455 2.042 -3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.342 1.361 -0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.142 1.092 -1.785 1.00 0.00 H new ATOM 1052 N ASP A 72 18.244 -1.097 -0.824 1.00 0.00 N ATOM 1053 CA ASP A 72 19.322 -1.834 -0.174 1.00 0.00 C ATOM 1054 C ASP A 72 19.065 -3.336 -0.230 1.00 0.00 C ATOM 1055 O ASP A 72 19.787 -4.076 -0.899 1.00 0.00 O ATOM 1056 CB ASP A 72 19.471 -1.383 1.280 1.00 0.00 C ATOM 1057 CG ASP A 72 20.798 -1.800 1.882 1.00 0.00 C ATOM 1058 OD1 ASP A 72 20.897 -2.947 2.364 1.00 0.00 O ATOM 1059 OD2 ASP A 72 21.738 -0.977 1.873 1.00 0.00 O ATOM 0 H ASP A 72 17.692 -0.514 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 72 20.248 -1.623 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.376 -0.298 1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.658 -1.803 1.873 1.00 0.00 H new ATOM 1064 N CYS A 73 18.031 -3.781 0.476 1.00 0.00 N ATOM 1065 CA CYS A 73 17.678 -5.195 0.509 1.00 0.00 C ATOM 1066 C CYS A 73 17.550 -5.756 -0.905 1.00 0.00 C ATOM 1067 O CYS A 73 17.927 -6.898 -1.167 1.00 0.00 O ATOM 1068 CB CYS A 73 16.368 -5.398 1.271 1.00 0.00 C ATOM 1069 SG CYS A 73 16.555 -5.407 3.083 1.00 0.00 S ATOM 0 H CYS A 73 17.422 -3.182 1.034 1.00 0.00 H new ATOM 0 HA CYS A 73 18.475 -5.731 1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.672 -4.607 0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.921 -6.341 0.958 1.00 0.00 H new ATOM 1074 N ALA A 74 17.014 -4.945 -1.811 1.00 0.00 N ATOM 1075 CA ALA A 74 16.838 -5.359 -3.197 1.00 0.00 C ATOM 1076 C ALA A 74 18.152 -5.849 -3.795 1.00 0.00 C ATOM 1077 O ALA A 74 18.165 -6.733 -4.652 1.00 0.00 O ATOM 1078 CB ALA A 74 16.276 -4.211 -4.023 1.00 0.00 C ATOM 0 H ALA A 74 16.694 -3.998 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 74 16.130 -6.187 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.150 -4.534 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.311 -3.909 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.965 -3.367 -3.989 1.00 0.00 H new ATOM 1084 N LYS A 75 19.257 -5.270 -3.339 1.00 0.00 N ATOM 1085 CA LYS A 75 20.578 -5.648 -3.828 1.00 0.00 C ATOM 1086 C LYS A 75 20.895 -7.097 -3.474 1.00 0.00 C ATOM 1087 O LYS A 75 21.624 -7.778 -4.195 1.00 0.00 O ATOM 1088 CB LYS A 75 21.646 -4.723 -3.240 1.00 0.00 C ATOM 1089 CG LYS A 75 21.434 -3.257 -3.577 1.00 0.00 C ATOM 1090 CD LYS A 75 22.753 -2.508 -3.665 1.00 0.00 C ATOM 1091 CE LYS A 75 22.547 -1.004 -3.583 1.00 0.00 C ATOM 1092 NZ LYS A 75 23.841 -0.267 -3.559 1.00 0.00 N ATOM 0 H LYS A 75 19.264 -4.536 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 75 20.578 -5.549 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.659 -4.840 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.625 -5.033 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.904 -3.174 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.803 -2.796 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.410 -2.831 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.252 -2.757 -4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.956 -0.671 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.976 -0.764 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.657 0.755 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.395 -0.565 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.375 -0.475 -4.427 1.00 0.00 H new ATOM 1106 N LYS A 76 20.342 -7.564 -2.360 1.00 0.00 N ATOM 1107 CA LYS A 76 20.562 -8.933 -1.911 1.00 0.00 C ATOM 1108 C LYS A 76 19.764 -9.919 -2.757 1.00 0.00 C ATOM 1109 O LYS A 76 20.144 -11.082 -2.899 1.00 0.00 O ATOM 1110 CB LYS A 76 20.173 -9.078 -0.438 1.00 0.00 C ATOM 1111 CG LYS A 76 20.819 -8.043 0.467 1.00 0.00 C ATOM 1112 CD LYS A 76 20.171 -8.020 1.841 1.00 0.00 C ATOM 1113 CE LYS A 76 20.818 -6.982 2.745 1.00 0.00 C ATOM 1114 NZ LYS A 76 22.120 -7.457 3.292 1.00 0.00 N ATOM 0 H LYS A 76 19.737 -7.013 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 76 21.622 -9.159 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.089 -9.001 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.452 -10.074 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.882 -8.261 0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.738 -7.057 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.108 -7.803 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.253 -9.005 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.974 -6.060 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.143 -6.745 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.529 -6.721 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.968 -8.323 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.773 -7.659 2.508 1.00 0.00 H new ATOM 1128 N LEU A 77 18.657 -9.447 -3.320 1.00 0.00 N ATOM 1129 CA LEU A 77 17.805 -10.287 -4.155 1.00 0.00 C ATOM 1130 C LEU A 77 18.508 -10.650 -5.459 1.00 0.00 C ATOM 1131 O LEU A 77 19.448 -9.975 -5.877 1.00 0.00 O ATOM 1132 CB LEU A 77 16.486 -9.571 -4.455 1.00 0.00 C ATOM 1133 CG LEU A 77 15.754 -8.980 -3.250 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.540 -8.184 -3.701 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.344 -10.080 -2.282 1.00 0.00 C ATOM 0 H LEU A 77 18.328 -8.487 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 77 17.596 -11.207 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.685 -8.767 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.818 -10.275 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 77 16.434 -8.304 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.032 -7.771 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.860 -7.372 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.857 -8.838 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.824 -9.640 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.682 -10.782 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.232 -10.607 -1.933 1.00 0.00 H new TER 1147 LEU A 77 HETATM 1148 ZN ZN A 200 -2.927 -1.925 5.211 1.00 0.00 ZN HETATM 1149 ZN ZN A 300 14.957 -3.765 3.587 1.00 0.00 ZN