USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 43 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.406 (180deg=0.157) USER MOD Single : A 2 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.155) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.14) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0856 X(o=0.086,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 72:sc= 0.152 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -160:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 0.695 (180deg=0.265) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -69:sc= 1.1 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.441 7.870 11.350 1.00 0.00 N ATOM 2 CA MET A 1 -5.677 7.320 11.959 1.00 0.00 C ATOM 3 C MET A 1 -6.359 6.353 10.983 1.00 0.00 C ATOM 4 O MET A 1 -6.178 5.123 11.048 1.00 0.00 O ATOM 5 CB MET A 1 -6.659 8.404 12.444 1.00 0.00 C ATOM 6 CG MET A 1 -6.091 9.226 13.608 1.00 0.00 C ATOM 7 SD MET A 1 -5.782 8.271 15.124 1.00 0.00 S ATOM 8 CE MET A 1 -5.140 9.584 16.202 1.00 0.00 C ATOM 0 H1 MET A 1 -3.812 8.222 12.099 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.956 7.123 10.814 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.688 8.651 10.709 1.00 0.00 H new ATOM 0 HA MET A 1 -5.373 6.777 12.854 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.900 9.070 11.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.591 7.933 12.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.157 9.688 13.288 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.785 10.035 13.838 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.899 9.167 17.180 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.241 10.012 15.758 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.894 10.362 16.316 1.00 0.00 H new ATOM 17 N LYS A 2 -7.160 6.898 10.056 1.00 0.00 N ATOM 18 CA LYS A 2 -7.812 6.168 8.952 1.00 0.00 C ATOM 19 C LYS A 2 -7.031 6.337 7.643 1.00 0.00 C ATOM 20 O LYS A 2 -6.554 7.433 7.342 1.00 0.00 O ATOM 21 CB LYS A 2 -9.281 6.628 8.849 1.00 0.00 C ATOM 22 CG LYS A 2 -10.133 5.831 7.840 1.00 0.00 C ATOM 23 CD LYS A 2 -10.217 6.422 6.419 1.00 0.00 C ATOM 24 CE LYS A 2 -11.366 7.431 6.238 1.00 0.00 C ATOM 25 NZ LYS A 2 -11.052 8.788 6.762 1.00 0.00 N ATOM 0 H LYS A 2 -7.381 7.894 10.052 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.811 5.097 9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.742 6.552 9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.300 7.681 8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.729 4.821 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.144 5.743 8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.273 6.913 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.342 5.609 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.609 7.507 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.255 7.052 6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.790 9.456 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.015 8.759 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.132 9.099 6.391 1.00 0.00 H new ATOM 39 N ILE A 3 -6.943 5.265 6.855 1.00 0.00 N ATOM 40 CA ILE A 3 -6.311 5.223 5.526 1.00 0.00 C ATOM 41 C ILE A 3 -7.284 4.612 4.506 1.00 0.00 C ATOM 42 O ILE A 3 -8.025 3.678 4.823 1.00 0.00 O ATOM 43 CB ILE A 3 -4.948 4.479 5.578 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.007 5.181 6.590 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.308 4.376 4.177 1.00 0.00 C ATOM 46 CD1 ILE A 3 -2.546 4.716 6.570 1.00 0.00 C ATOM 0 H ILE A 3 -7.325 4.361 7.133 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.089 6.239 5.200 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.119 3.458 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.031 6.254 6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.404 5.029 7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.356 3.850 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.975 3.828 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.140 5.377 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.977 5.271 7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.500 3.651 6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.121 4.895 5.582 1.00 0.00 H new ATOM 58 N LYS A 4 -7.294 5.142 3.279 1.00 0.00 N ATOM 59 CA LYS A 4 -8.108 4.648 2.155 1.00 0.00 C ATOM 60 C LYS A 4 -7.226 3.900 1.150 1.00 0.00 C ATOM 61 O LYS A 4 -6.492 4.519 0.382 1.00 0.00 O ATOM 62 CB LYS A 4 -8.895 5.812 1.519 1.00 0.00 C ATOM 63 CG LYS A 4 -9.732 6.563 2.572 1.00 0.00 C ATOM 64 CD LYS A 4 -10.744 7.564 2.001 1.00 0.00 C ATOM 65 CE LYS A 4 -11.814 6.896 1.123 1.00 0.00 C ATOM 66 NZ LYS A 4 -13.124 7.584 1.246 1.00 0.00 N ATOM 0 H LYS A 4 -6.722 5.949 3.029 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.844 3.931 2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.202 6.504 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.550 5.427 0.738 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.268 5.832 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.055 7.095 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.231 8.089 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.214 8.313 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.492 6.908 0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.922 5.850 1.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.801 7.163 0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.482 7.478 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.007 8.594 1.029 1.00 0.00 H new ATOM 80 N ILE A 5 -7.252 2.569 1.164 1.00 0.00 N ATOM 81 CA ILE A 5 -6.510 1.759 0.181 1.00 0.00 C ATOM 82 C ILE A 5 -7.270 1.710 -1.152 1.00 0.00 C ATOM 83 O ILE A 5 -8.501 1.678 -1.169 1.00 0.00 O ATOM 84 CB ILE A 5 -6.135 0.365 0.732 1.00 0.00 C ATOM 85 CG1 ILE A 5 -7.354 -0.553 0.975 1.00 0.00 C ATOM 86 CG2 ILE A 5 -5.269 0.527 1.998 1.00 0.00 C ATOM 87 CD1 ILE A 5 -6.967 -2.005 1.280 1.00 0.00 C ATOM 0 H ILE A 5 -7.778 2.021 1.844 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.554 2.245 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.554 -0.146 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.938 -0.158 1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.997 -0.533 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.005 -0.457 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.360 1.075 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.829 1.077 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.869 -2.596 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.408 -2.417 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.349 -2.036 2.177 1.00 0.00 H new ATOM 99 N VAL A 6 -6.543 1.720 -2.272 1.00 0.00 N ATOM 100 CA VAL A 6 -7.097 1.783 -3.637 1.00 0.00 C ATOM 101 C VAL A 6 -6.460 0.689 -4.510 1.00 0.00 C ATOM 102 O VAL A 6 -5.503 0.960 -5.244 1.00 0.00 O ATOM 103 CB VAL A 6 -6.951 3.196 -4.253 1.00 0.00 C ATOM 104 CG1 VAL A 6 -7.807 3.303 -5.523 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.386 4.312 -3.293 1.00 0.00 C ATOM 0 H VAL A 6 -5.524 1.684 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.169 1.591 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.892 3.327 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.700 4.300 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.477 2.559 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.853 3.126 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.261 5.279 -3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.433 4.173 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.773 4.277 -2.393 1.00 0.00 H new ATOM 115 N PRO A 7 -6.928 -0.571 -4.410 1.00 0.00 N ATOM 116 CA PRO A 7 -6.459 -1.664 -5.258 1.00 0.00 C ATOM 117 C PRO A 7 -6.995 -1.557 -6.696 1.00 0.00 C ATOM 118 O PRO A 7 -8.204 -1.455 -6.903 1.00 0.00 O ATOM 119 CB PRO A 7 -6.953 -2.943 -4.568 1.00 0.00 C ATOM 120 CG PRO A 7 -8.227 -2.499 -3.848 1.00 0.00 C ATOM 121 CD PRO A 7 -7.911 -1.060 -3.445 1.00 0.00 C ATOM 0 HA PRO A 7 -5.374 -1.647 -5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.156 -3.734 -5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.213 -3.332 -3.869 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.099 -2.553 -4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.439 -3.124 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.811 -0.445 -3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.514 -1.018 -2.431 1.00 0.00 H new ATOM 129 N ALA A 8 -6.126 -1.687 -7.704 1.00 0.00 N ATOM 130 CA ALA A 8 -6.497 -1.882 -9.116 1.00 0.00 C ATOM 131 C ALA A 8 -6.986 -3.327 -9.415 1.00 0.00 C ATOM 132 O ALA A 8 -6.604 -3.938 -10.415 1.00 0.00 O ATOM 133 CB ALA A 8 -5.308 -1.446 -9.989 1.00 0.00 C ATOM 0 H ALA A 8 -5.117 -1.659 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.358 -1.259 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.560 -1.582 -11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.085 -0.396 -9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.435 -2.051 -9.744 1.00 0.00 H new ATOM 139 N VAL A 9 -7.787 -3.901 -8.506 1.00 0.00 N ATOM 140 CA VAL A 9 -8.187 -5.322 -8.460 1.00 0.00 C ATOM 141 C VAL A 9 -9.674 -5.443 -8.093 1.00 0.00 C ATOM 142 O VAL A 9 -10.191 -4.643 -7.308 1.00 0.00 O ATOM 143 CB VAL A 9 -7.294 -6.111 -7.467 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.662 -7.599 -7.374 1.00 0.00 C ATOM 145 CG2 VAL A 9 -5.804 -6.040 -7.836 1.00 0.00 C ATOM 0 H VAL A 9 -8.196 -3.363 -7.742 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.046 -5.759 -9.449 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.475 -5.626 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.000 -8.094 -6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.694 -7.698 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.553 -8.063 -8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.222 -6.608 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.655 -6.461 -8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.477 -5.000 -7.830 1.00 0.00 H new ATOM 155 N GLY A 10 -10.372 -6.440 -8.649 1.00 0.00 N ATOM 156 CA GLY A 10 -11.788 -6.702 -8.363 1.00 0.00 C ATOM 157 C GLY A 10 -12.686 -5.543 -8.815 1.00 0.00 C ATOM 158 O GLY A 10 -12.685 -5.172 -9.992 1.00 0.00 O ATOM 0 H GLY A 10 -9.966 -7.095 -9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.097 -7.618 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.918 -6.866 -7.293 1.00 0.00 H new ATOM 162 N GLY A 11 -13.434 -4.952 -7.878 1.00 0.00 N ATOM 163 CA GLY A 11 -14.279 -3.773 -8.124 1.00 0.00 C ATOM 164 C GLY A 11 -13.509 -2.469 -8.401 1.00 0.00 C ATOM 165 O GLY A 11 -14.080 -1.527 -8.953 1.00 0.00 O ATOM 0 H GLY A 11 -13.472 -5.281 -6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.929 -3.981 -8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.924 -3.620 -7.259 1.00 0.00 H new ATOM 169 N GLY A 12 -12.219 -2.399 -8.042 1.00 0.00 N ATOM 170 CA GLY A 12 -11.339 -1.244 -8.279 1.00 0.00 C ATOM 171 C GLY A 12 -11.566 -0.028 -7.358 1.00 0.00 C ATOM 172 O GLY A 12 -10.879 0.987 -7.497 1.00 0.00 O ATOM 0 H GLY A 12 -11.745 -3.166 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.305 -1.571 -8.170 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.464 -0.922 -9.313 1.00 0.00 H new ATOM 176 N SER A 13 -12.536 -0.102 -6.441 1.00 0.00 N ATOM 177 CA SER A 13 -12.970 0.999 -5.563 1.00 0.00 C ATOM 178 C SER A 13 -11.979 1.315 -4.426 1.00 0.00 C ATOM 179 O SER A 13 -11.280 0.407 -3.959 1.00 0.00 O ATOM 180 CB SER A 13 -14.332 0.664 -4.932 1.00 0.00 C ATOM 181 OG SER A 13 -15.300 0.384 -5.934 1.00 0.00 O ATOM 0 H SER A 13 -13.063 -0.961 -6.281 1.00 0.00 H new ATOM 0 HA SER A 13 -13.030 1.879 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.229 -0.196 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.669 1.500 -4.319 1.00 0.00 H new ATOM 0 HG SER A 13 -16.158 0.172 -5.510 1.00 0.00 H new ATOM 187 N PRO A 14 -11.946 2.561 -3.908 1.00 0.00 N ATOM 188 CA PRO A 14 -11.309 2.869 -2.624 1.00 0.00 C ATOM 189 C PRO A 14 -12.016 2.150 -1.456 1.00 0.00 C ATOM 190 O PRO A 14 -13.232 1.930 -1.494 1.00 0.00 O ATOM 191 CB PRO A 14 -11.396 4.393 -2.482 1.00 0.00 C ATOM 192 CG PRO A 14 -12.663 4.744 -3.259 1.00 0.00 C ATOM 193 CD PRO A 14 -12.639 3.741 -4.414 1.00 0.00 C ATOM 0 HA PRO A 14 -10.276 2.523 -2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.467 4.697 -1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.518 4.887 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.557 4.634 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.646 5.774 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.650 3.492 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.123 4.155 -5.280 1.00 0.00 H new ATOM 201 N LEU A 15 -11.268 1.807 -0.403 1.00 0.00 N ATOM 202 CA LEU A 15 -11.762 1.091 0.781 1.00 0.00 C ATOM 203 C LEU A 15 -11.115 1.630 2.072 1.00 0.00 C ATOM 204 O LEU A 15 -9.893 1.730 2.175 1.00 0.00 O ATOM 205 CB LEU A 15 -11.548 -0.420 0.553 1.00 0.00 C ATOM 206 CG LEU A 15 -12.256 -1.329 1.578 1.00 0.00 C ATOM 207 CD1 LEU A 15 -12.602 -2.672 0.934 1.00 0.00 C ATOM 208 CD2 LEU A 15 -11.379 -1.628 2.794 1.00 0.00 C ATOM 0 H LEU A 15 -10.273 2.025 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.830 1.261 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.900 -0.677 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.479 -0.630 0.578 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.149 -0.793 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.102 -3.308 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.263 -2.508 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.688 -3.159 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.923 -2.271 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.468 -2.131 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.120 -0.695 3.294 1.00 0.00 H new ATOM 220 N GLU A 16 -11.942 2.000 3.053 1.00 0.00 N ATOM 221 CA GLU A 16 -11.521 2.637 4.313 1.00 0.00 C ATOM 222 C GLU A 16 -11.103 1.610 5.385 1.00 0.00 C ATOM 223 O GLU A 16 -11.870 0.695 5.699 1.00 0.00 O ATOM 224 CB GLU A 16 -12.653 3.534 4.855 1.00 0.00 C ATOM 225 CG GLU A 16 -13.150 4.551 3.816 1.00 0.00 C ATOM 226 CD GLU A 16 -13.932 5.731 4.423 1.00 0.00 C ATOM 227 OE1 GLU A 16 -14.620 5.567 5.460 1.00 0.00 O ATOM 228 OE2 GLU A 16 -13.861 6.841 3.841 1.00 0.00 O ATOM 0 H GLU A 16 -12.951 1.863 2.996 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.643 3.243 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.487 2.908 5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.299 4.066 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.294 4.940 3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.787 4.038 3.095 1.00 0.00 H new ATOM 235 N LEU A 17 -9.919 1.786 5.982 1.00 0.00 N ATOM 236 CA LEU A 17 -9.355 0.926 7.034 1.00 0.00 C ATOM 237 C LEU A 17 -8.606 1.730 8.111 1.00 0.00 C ATOM 238 O LEU A 17 -7.942 2.728 7.830 1.00 0.00 O ATOM 239 CB LEU A 17 -8.409 -0.119 6.404 1.00 0.00 C ATOM 240 CG LEU A 17 -9.120 -1.367 5.848 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.178 -2.137 4.926 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.567 -2.310 6.969 1.00 0.00 C ATOM 0 H LEU A 17 -9.302 2.561 5.738 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.189 0.425 7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.849 0.355 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.683 -0.433 7.154 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.998 -1.021 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.689 -3.018 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.877 -1.497 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.295 -2.447 5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.064 -3.178 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.697 -2.636 7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.258 -1.787 7.630 1.00 0.00 H new ATOM 254 N GLU A 18 -8.673 1.250 9.352 1.00 0.00 N ATOM 255 CA GLU A 18 -7.763 1.642 10.439 1.00 0.00 C ATOM 256 C GLU A 18 -6.465 0.810 10.404 1.00 0.00 C ATOM 257 O GLU A 18 -6.485 -0.378 10.066 1.00 0.00 O ATOM 258 CB GLU A 18 -8.474 1.523 11.803 1.00 0.00 C ATOM 259 CG GLU A 18 -8.951 0.102 12.160 1.00 0.00 C ATOM 260 CD GLU A 18 -9.687 0.059 13.514 1.00 0.00 C ATOM 261 OE1 GLU A 18 -9.144 0.549 14.534 1.00 0.00 O ATOM 262 OE2 GLU A 18 -10.816 -0.493 13.576 1.00 0.00 O ATOM 0 H GLU A 18 -9.372 0.565 9.640 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.482 2.685 10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.795 1.870 12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.334 2.192 11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.614 -0.265 11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.093 -0.570 12.193 1.00 0.00 H new ATOM 269 N VAL A 19 -5.339 1.421 10.789 1.00 0.00 N ATOM 270 CA VAL A 19 -4.022 0.766 10.946 1.00 0.00 C ATOM 271 C VAL A 19 -3.249 1.352 12.135 1.00 0.00 C ATOM 272 O VAL A 19 -3.494 2.486 12.556 1.00 0.00 O ATOM 273 CB VAL A 19 -3.153 0.842 9.666 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.781 0.126 8.464 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.802 2.275 9.246 1.00 0.00 C ATOM 0 H VAL A 19 -5.311 2.417 11.008 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.232 -0.287 11.136 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.237 0.325 9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.122 0.217 7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.923 -0.928 8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.745 0.579 8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.192 2.250 8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.719 2.832 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.245 2.763 10.046 1.00 0.00 H new ATOM 285 N ALA A 20 -2.291 0.590 12.669 1.00 0.00 N ATOM 286 CA ALA A 20 -1.343 1.067 13.679 1.00 0.00 C ATOM 287 C ALA A 20 -0.357 2.113 13.096 1.00 0.00 C ATOM 288 O ALA A 20 -0.016 2.034 11.911 1.00 0.00 O ATOM 289 CB ALA A 20 -0.599 -0.152 14.247 1.00 0.00 C ATOM 0 H ALA A 20 -2.150 -0.386 12.409 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.885 1.576 14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.114 0.177 15.003 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.316 -0.838 14.699 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.067 -0.661 13.443 1.00 0.00 H new ATOM 295 N PRO A 21 0.177 3.052 13.905 1.00 0.00 N ATOM 296 CA PRO A 21 1.224 3.990 13.468 1.00 0.00 C ATOM 297 C PRO A 21 2.561 3.292 13.139 1.00 0.00 C ATOM 298 O PRO A 21 3.380 3.825 12.390 1.00 0.00 O ATOM 299 CB PRO A 21 1.370 4.982 14.628 1.00 0.00 C ATOM 300 CG PRO A 21 0.964 4.166 15.856 1.00 0.00 C ATOM 301 CD PRO A 21 -0.144 3.269 15.310 1.00 0.00 C ATOM 0 HA PRO A 21 0.946 4.481 12.535 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.392 5.351 14.713 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.727 5.852 14.495 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.798 3.585 16.250 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.608 4.803 16.666 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.185 2.324 15.852 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.120 3.742 15.420 1.00 0.00 H new ATOM 309 N ASN A 22 2.768 2.076 13.660 1.00 0.00 N ATOM 310 CA ASN A 22 3.916 1.199 13.400 1.00 0.00 C ATOM 311 C ASN A 22 3.755 0.352 12.108 1.00 0.00 C ATOM 312 O ASN A 22 4.362 -0.713 11.984 1.00 0.00 O ATOM 313 CB ASN A 22 4.144 0.348 14.670 1.00 0.00 C ATOM 314 CG ASN A 22 5.593 -0.082 14.863 1.00 0.00 C ATOM 315 OD1 ASN A 22 6.358 0.544 15.584 1.00 0.00 O ATOM 316 ND2 ASN A 22 6.015 -1.163 14.249 1.00 0.00 N ATOM 0 H ASN A 22 2.103 1.655 14.309 1.00 0.00 H new ATOM 0 HA ASN A 22 4.804 1.798 13.199 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.824 0.918 15.542 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.514 -0.540 14.621 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.977 -1.478 14.374 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.381 -1.688 13.647 1.00 0.00 H new ATOM 323 N ALA A 23 2.910 0.769 11.155 1.00 0.00 N ATOM 324 CA ALA A 23 2.705 0.072 9.881 1.00 0.00 C ATOM 325 C ALA A 23 3.978 0.100 9.007 1.00 0.00 C ATOM 326 O ALA A 23 4.360 1.144 8.471 1.00 0.00 O ATOM 327 CB ALA A 23 1.499 0.695 9.161 1.00 0.00 C ATOM 0 H ALA A 23 2.343 1.611 11.250 1.00 0.00 H new ATOM 0 HA ALA A 23 2.495 -0.980 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.338 0.184 8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.610 0.592 9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.692 1.752 8.976 1.00 0.00 H new ATOM 333 N THR A 24 4.640 -1.050 8.858 1.00 0.00 N ATOM 334 CA THR A 24 5.876 -1.203 8.071 1.00 0.00 C ATOM 335 C THR A 24 5.567 -1.259 6.570 1.00 0.00 C ATOM 336 O THR A 24 4.749 -2.073 6.136 1.00 0.00 O ATOM 337 CB THR A 24 6.642 -2.469 8.503 1.00 0.00 C ATOM 338 OG1 THR A 24 6.834 -2.487 9.903 1.00 0.00 O ATOM 339 CG2 THR A 24 8.025 -2.578 7.857 1.00 0.00 C ATOM 0 H THR A 24 4.329 -1.921 9.288 1.00 0.00 H new ATOM 0 HA THR A 24 6.504 -0.332 8.261 1.00 0.00 H new ATOM 0 HB THR A 24 6.026 -3.306 8.176 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.320 -3.299 10.156 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.516 -3.489 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.919 -2.609 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.627 -1.714 8.138 1.00 0.00 H new ATOM 347 N VAL A 25 6.259 -0.456 5.752 1.00 0.00 N ATOM 348 CA VAL A 25 6.072 -0.409 4.281 1.00 0.00 C ATOM 349 C VAL A 25 6.294 -1.784 3.636 1.00 0.00 C ATOM 350 O VAL A 25 5.481 -2.237 2.829 1.00 0.00 O ATOM 351 CB VAL A 25 7.007 0.647 3.654 1.00 0.00 C ATOM 352 CG1 VAL A 25 6.977 0.642 2.120 1.00 0.00 C ATOM 353 CG2 VAL A 25 6.635 2.060 4.124 1.00 0.00 C ATOM 0 H VAL A 25 6.974 0.189 6.088 1.00 0.00 H new ATOM 0 HA VAL A 25 5.039 -0.122 4.086 1.00 0.00 H new ATOM 0 HB VAL A 25 8.010 0.378 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.655 1.406 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.290 -0.335 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.964 0.852 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.309 2.785 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.609 2.283 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.722 2.117 5.209 1.00 0.00 H new ATOM 363 N GLY A 26 7.361 -2.482 4.041 1.00 0.00 N ATOM 364 CA GLY A 26 7.677 -3.835 3.574 1.00 0.00 C ATOM 365 C GLY A 26 6.607 -4.871 3.935 1.00 0.00 C ATOM 366 O GLY A 26 6.310 -5.737 3.116 1.00 0.00 O ATOM 0 H GLY A 26 8.038 -2.117 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.804 -3.817 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.631 -4.145 4.001 1.00 0.00 H new ATOM 370 N ALA A 27 5.965 -4.757 5.104 1.00 0.00 N ATOM 371 CA ALA A 27 4.865 -5.639 5.511 1.00 0.00 C ATOM 372 C ALA A 27 3.600 -5.413 4.664 1.00 0.00 C ATOM 373 O ALA A 27 2.990 -6.383 4.208 1.00 0.00 O ATOM 374 CB ALA A 27 4.586 -5.444 7.008 1.00 0.00 C ATOM 0 H ALA A 27 6.196 -4.046 5.798 1.00 0.00 H new ATOM 0 HA ALA A 27 5.165 -6.672 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.769 -6.098 7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.481 -5.689 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.309 -4.406 7.194 1.00 0.00 H new ATOM 380 N VAL A 28 3.244 -4.153 4.376 1.00 0.00 N ATOM 381 CA VAL A 28 2.124 -3.809 3.478 1.00 0.00 C ATOM 382 C VAL A 28 2.374 -4.363 2.070 1.00 0.00 C ATOM 383 O VAL A 28 1.522 -5.064 1.522 1.00 0.00 O ATOM 384 CB VAL A 28 1.872 -2.283 3.448 1.00 0.00 C ATOM 385 CG1 VAL A 28 0.787 -1.884 2.438 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.419 -1.772 4.824 1.00 0.00 C ATOM 0 H VAL A 28 3.724 -3.339 4.759 1.00 0.00 H new ATOM 0 HA VAL A 28 1.220 -4.276 3.870 1.00 0.00 H new ATOM 0 HB VAL A 28 2.823 -1.837 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.651 -0.803 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.090 -2.193 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.151 -2.373 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.249 -0.696 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.495 -2.273 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.192 -1.984 5.563 1.00 0.00 H new ATOM 396 N ARG A 29 3.566 -4.128 1.506 1.00 0.00 N ATOM 397 CA ARG A 29 3.951 -4.634 0.177 1.00 0.00 C ATOM 398 C ARG A 29 3.974 -6.166 0.142 1.00 0.00 C ATOM 399 O ARG A 29 3.460 -6.760 -0.807 1.00 0.00 O ATOM 400 CB ARG A 29 5.291 -3.984 -0.226 1.00 0.00 C ATOM 401 CG ARG A 29 5.609 -4.102 -1.727 1.00 0.00 C ATOM 402 CD ARG A 29 6.295 -5.410 -2.141 1.00 0.00 C ATOM 403 NE ARG A 29 7.710 -5.472 -1.716 1.00 0.00 N ATOM 404 CZ ARG A 29 8.486 -6.543 -1.723 1.00 0.00 C ATOM 405 NH1 ARG A 29 8.047 -7.719 -2.075 1.00 0.00 N ATOM 406 NH2 ARG A 29 9.739 -6.448 -1.381 1.00 0.00 N ATOM 0 H ARG A 29 4.296 -3.579 1.959 1.00 0.00 H new ATOM 0 HA ARG A 29 3.204 -4.352 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.271 -2.930 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.096 -4.448 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.681 -4.002 -2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.248 -3.267 -2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.753 -6.252 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.240 -5.517 -3.224 1.00 0.00 H new ATOM 0 HE ARG A 29 8.129 -4.603 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.074 -7.836 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.676 -8.522 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.126 -5.545 -1.106 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.334 -7.277 -1.388 1.00 0.00 H new ATOM 420 N THR A 30 4.494 -6.809 1.189 1.00 0.00 N ATOM 421 CA THR A 30 4.509 -8.279 1.321 1.00 0.00 C ATOM 422 C THR A 30 3.093 -8.854 1.370 1.00 0.00 C ATOM 423 O THR A 30 2.829 -9.836 0.678 1.00 0.00 O ATOM 424 CB THR A 30 5.321 -8.745 2.545 1.00 0.00 C ATOM 425 OG1 THR A 30 6.666 -8.351 2.390 1.00 0.00 O ATOM 426 CG2 THR A 30 5.306 -10.262 2.762 1.00 0.00 C ATOM 0 H THR A 30 4.922 -6.326 1.979 1.00 0.00 H new ATOM 0 HA THR A 30 5.004 -8.663 0.429 1.00 0.00 H new ATOM 0 HB THR A 30 4.848 -8.282 3.411 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.768 -7.418 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.900 -10.510 3.642 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.280 -10.598 2.910 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.728 -10.759 1.888 1.00 0.00 H new ATOM 434 N LYS A 31 2.153 -8.229 2.099 1.00 0.00 N ATOM 435 CA LYS A 31 0.740 -8.653 2.135 1.00 0.00 C ATOM 436 C LYS A 31 0.108 -8.639 0.740 1.00 0.00 C ATOM 437 O LYS A 31 -0.536 -9.610 0.352 1.00 0.00 O ATOM 438 CB LYS A 31 -0.060 -7.759 3.102 1.00 0.00 C ATOM 439 CG LYS A 31 -1.432 -8.374 3.439 1.00 0.00 C ATOM 440 CD LYS A 31 -2.436 -7.360 4.007 1.00 0.00 C ATOM 441 CE LYS A 31 -2.964 -6.430 2.903 1.00 0.00 C ATOM 442 NZ LYS A 31 -4.053 -5.550 3.404 1.00 0.00 N ATOM 0 H LYS A 31 2.350 -7.415 2.681 1.00 0.00 H new ATOM 0 HA LYS A 31 0.710 -9.681 2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.510 -7.614 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.202 -6.775 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.851 -8.823 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.293 -9.179 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.269 -7.888 4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.958 -6.769 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.147 -5.818 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.332 -7.027 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.386 -4.936 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.842 -6.135 3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.694 -4.963 4.184 1.00 0.00 H new ATOM 456 N VAL A 32 0.329 -7.573 -0.032 1.00 0.00 N ATOM 457 CA VAL A 32 -0.182 -7.433 -1.409 1.00 0.00 C ATOM 458 C VAL A 32 0.410 -8.503 -2.337 1.00 0.00 C ATOM 459 O VAL A 32 -0.337 -9.189 -3.037 1.00 0.00 O ATOM 460 CB VAL A 32 0.070 -6.002 -1.927 1.00 0.00 C ATOM 461 CG1 VAL A 32 -0.324 -5.833 -3.398 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.743 -4.985 -1.114 1.00 0.00 C ATOM 0 H VAL A 32 0.874 -6.769 0.280 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.260 -7.596 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 32 1.141 -5.828 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.126 -4.808 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.259 -6.519 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.385 -6.051 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.553 -3.981 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.805 -5.212 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.449 -5.039 -0.066 1.00 0.00 H new ATOM 472 N CYS A 33 1.731 -8.714 -2.294 1.00 0.00 N ATOM 473 CA CYS A 33 2.404 -9.752 -3.089 1.00 0.00 C ATOM 474 C CYS A 33 1.945 -11.172 -2.709 1.00 0.00 C ATOM 475 O CYS A 33 1.724 -12.003 -3.590 1.00 0.00 O ATOM 476 CB CYS A 33 3.924 -9.610 -2.932 1.00 0.00 C ATOM 477 SG CYS A 33 4.483 -8.025 -3.624 1.00 0.00 S ATOM 0 H CYS A 33 2.365 -8.171 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 33 2.128 -9.607 -4.134 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.195 -9.670 -1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.427 -10.434 -3.438 1.00 0.00 H new ATOM 0 HG CYS A 33 4.109 -7.055 -2.843 1.00 0.00 H new ATOM 483 N ALA A 34 1.747 -11.451 -1.416 1.00 0.00 N ATOM 484 CA ALA A 34 1.253 -12.736 -0.915 1.00 0.00 C ATOM 485 C ALA A 34 -0.224 -12.987 -1.275 1.00 0.00 C ATOM 486 O ALA A 34 -0.577 -14.105 -1.654 1.00 0.00 O ATOM 487 CB ALA A 34 1.471 -12.780 0.602 1.00 0.00 C ATOM 0 H ALA A 34 1.930 -10.775 -0.674 1.00 0.00 H new ATOM 0 HA ALA A 34 1.813 -13.537 -1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.109 -13.730 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.534 -12.679 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.925 -11.962 1.072 1.00 0.00 H new ATOM 493 N MET A 35 -1.080 -11.961 -1.213 1.00 0.00 N ATOM 494 CA MET A 35 -2.504 -12.052 -1.566 1.00 0.00 C ATOM 495 C MET A 35 -2.714 -12.310 -3.067 1.00 0.00 C ATOM 496 O MET A 35 -3.559 -13.127 -3.441 1.00 0.00 O ATOM 497 CB MET A 35 -3.223 -10.774 -1.101 1.00 0.00 C ATOM 498 CG MET A 35 -4.740 -10.842 -1.316 1.00 0.00 C ATOM 499 SD MET A 35 -5.667 -9.426 -0.660 1.00 0.00 S ATOM 500 CE MET A 35 -5.220 -8.148 -1.870 1.00 0.00 C ATOM 0 H MET A 35 -0.800 -11.028 -0.911 1.00 0.00 H new ATOM 0 HA MET A 35 -2.936 -12.911 -1.052 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.016 -10.609 -0.044 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.821 -9.917 -1.642 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.938 -10.924 -2.385 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.118 -11.753 -0.851 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.711 -7.211 -1.608 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.139 -8.005 -1.866 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.541 -8.460 -2.864 1.00 0.00 H new ATOM 510 N LYS A 36 -1.921 -11.657 -3.932 1.00 0.00 N ATOM 511 CA LYS A 36 -1.902 -11.897 -5.390 1.00 0.00 C ATOM 512 C LYS A 36 -1.029 -13.087 -5.822 1.00 0.00 C ATOM 513 O LYS A 36 -1.118 -13.503 -6.975 1.00 0.00 O ATOM 514 CB LYS A 36 -1.503 -10.599 -6.124 1.00 0.00 C ATOM 515 CG LYS A 36 -2.496 -9.431 -5.935 1.00 0.00 C ATOM 516 CD LYS A 36 -3.973 -9.770 -6.215 1.00 0.00 C ATOM 517 CE LYS A 36 -4.191 -10.365 -7.616 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.581 -10.866 -7.796 1.00 0.00 N ATOM 0 H LYS A 36 -1.263 -10.935 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.914 -12.183 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.520 -10.285 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.409 -10.812 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.412 -9.066 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.198 -8.613 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.327 -10.477 -5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.575 -8.867 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.978 -9.607 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.487 -11.181 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.687 -11.259 -8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.776 -11.608 -7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.252 -10.082 -7.667 1.00 0.00 H new ATOM 532 N LYS A 37 -0.220 -13.647 -4.913 1.00 0.00 N ATOM 533 CA LYS A 37 0.709 -14.781 -5.117 1.00 0.00 C ATOM 534 C LYS A 37 1.774 -14.546 -6.215 1.00 0.00 C ATOM 535 O LYS A 37 2.284 -15.501 -6.805 1.00 0.00 O ATOM 536 CB LYS A 37 -0.114 -16.079 -5.295 1.00 0.00 C ATOM 537 CG LYS A 37 0.558 -17.371 -4.791 1.00 0.00 C ATOM 538 CD LYS A 37 0.230 -17.726 -3.329 1.00 0.00 C ATOM 539 CE LYS A 37 0.938 -16.825 -2.311 1.00 0.00 C ATOM 540 NZ LYS A 37 0.500 -17.124 -0.923 1.00 0.00 N ATOM 0 H LYS A 37 -0.190 -13.303 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 37 1.323 -14.884 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.064 -15.959 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.343 -16.200 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.253 -18.199 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.638 -17.269 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.847 -17.655 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.511 -18.763 -3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.016 -16.961 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.731 -15.780 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.998 -16.497 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.525 -16.970 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.720 -18.115 -0.695 1.00 0.00 H new ATOM 554 N LEU A 38 2.109 -13.282 -6.494 1.00 0.00 N ATOM 555 CA LEU A 38 3.015 -12.835 -7.569 1.00 0.00 C ATOM 556 C LEU A 38 4.068 -11.817 -7.061 1.00 0.00 C ATOM 557 O LEU A 38 3.829 -11.141 -6.054 1.00 0.00 O ATOM 558 CB LEU A 38 2.196 -12.261 -8.752 1.00 0.00 C ATOM 559 CG LEU A 38 1.909 -13.285 -9.873 1.00 0.00 C ATOM 560 CD1 LEU A 38 0.634 -14.096 -9.646 1.00 0.00 C ATOM 561 CD2 LEU A 38 1.737 -12.565 -11.209 1.00 0.00 C ATOM 0 H LEU A 38 1.740 -12.501 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 38 3.571 -13.704 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.249 -11.878 -8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.735 -11.414 -9.177 1.00 0.00 H new ATOM 0 HG LEU A 38 2.763 -13.962 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.495 -14.794 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.717 -14.651 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.221 -13.422 -9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.535 -13.295 -11.993 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.903 -11.866 -11.141 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.650 -12.019 -11.448 1.00 0.00 H new ATOM 573 N PRO A 39 5.236 -11.705 -7.732 1.00 0.00 N ATOM 574 CA PRO A 39 6.369 -10.884 -7.289 1.00 0.00 C ATOM 575 C PRO A 39 6.136 -9.361 -7.415 1.00 0.00 C ATOM 576 O PRO A 39 5.283 -8.921 -8.196 1.00 0.00 O ATOM 577 CB PRO A 39 7.552 -11.345 -8.153 1.00 0.00 C ATOM 578 CG PRO A 39 6.893 -11.815 -9.446 1.00 0.00 C ATOM 579 CD PRO A 39 5.598 -12.442 -8.940 1.00 0.00 C ATOM 0 HA PRO A 39 6.541 -11.026 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.256 -10.533 -8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.110 -12.149 -7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.704 -10.988 -10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.513 -12.536 -9.980 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.811 -12.370 -9.691 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.736 -13.501 -8.723 1.00 0.00 H new ATOM 587 N PRO A 40 6.943 -8.527 -6.719 1.00 0.00 N ATOM 588 CA PRO A 40 6.843 -7.058 -6.754 1.00 0.00 C ATOM 589 C PRO A 40 7.123 -6.424 -8.130 1.00 0.00 C ATOM 590 O PRO A 40 6.746 -5.278 -8.374 1.00 0.00 O ATOM 591 CB PRO A 40 7.852 -6.564 -5.711 1.00 0.00 C ATOM 592 CG PRO A 40 8.894 -7.676 -5.663 1.00 0.00 C ATOM 593 CD PRO A 40 8.029 -8.922 -5.828 1.00 0.00 C ATOM 0 HA PRO A 40 5.817 -6.760 -6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.295 -5.612 -6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.382 -6.413 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.630 -7.581 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.443 -7.681 -4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.604 -9.746 -6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.644 -9.263 -4.867 1.00 0.00 H new ATOM 601 N ASP A 41 7.747 -7.158 -9.060 1.00 0.00 N ATOM 602 CA ASP A 41 7.894 -6.740 -10.462 1.00 0.00 C ATOM 603 C ASP A 41 6.539 -6.668 -11.201 1.00 0.00 C ATOM 604 O ASP A 41 6.394 -5.874 -12.134 1.00 0.00 O ATOM 605 CB ASP A 41 8.862 -7.693 -11.192 1.00 0.00 C ATOM 606 CG ASP A 41 10.311 -7.692 -10.665 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.769 -6.686 -10.070 1.00 0.00 O ATOM 608 OD2 ASP A 41 11.021 -8.702 -10.890 1.00 0.00 O ATOM 0 H ASP A 41 8.168 -8.066 -8.860 1.00 0.00 H new ATOM 0 HA ASP A 41 8.306 -5.731 -10.464 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.468 -8.707 -11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.877 -7.429 -12.249 1.00 0.00 H new ATOM 613 N THR A 42 5.535 -7.447 -10.774 1.00 0.00 N ATOM 614 CA THR A 42 4.177 -7.420 -11.357 1.00 0.00 C ATOM 615 C THR A 42 3.251 -6.431 -10.637 1.00 0.00 C ATOM 616 O THR A 42 2.450 -5.762 -11.293 1.00 0.00 O ATOM 617 CB THR A 42 3.557 -8.830 -11.376 1.00 0.00 C ATOM 618 OG1 THR A 42 4.470 -9.720 -11.988 1.00 0.00 O ATOM 619 CG2 THR A 42 2.231 -8.867 -12.145 1.00 0.00 C ATOM 0 H THR A 42 5.638 -8.117 -10.012 1.00 0.00 H new ATOM 0 HA THR A 42 4.282 -7.071 -12.384 1.00 0.00 H new ATOM 0 HB THR A 42 3.352 -9.123 -10.346 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.993 -10.520 -12.293 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.831 -9.881 -12.132 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.518 -8.190 -11.674 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.400 -8.557 -13.176 1.00 0.00 H new ATOM 627 N THR A 43 3.373 -6.297 -9.308 1.00 0.00 N ATOM 628 CA THR A 43 2.437 -5.529 -8.460 1.00 0.00 C ATOM 629 C THR A 43 3.168 -4.549 -7.531 1.00 0.00 C ATOM 630 O THR A 43 4.067 -4.948 -6.789 1.00 0.00 O ATOM 631 CB THR A 43 1.520 -6.467 -7.652 1.00 0.00 C ATOM 632 OG1 THR A 43 0.873 -7.380 -8.514 1.00 0.00 O ATOM 633 CG2 THR A 43 0.414 -5.715 -6.910 1.00 0.00 C ATOM 0 H THR A 43 4.134 -6.724 -8.780 1.00 0.00 H new ATOM 0 HA THR A 43 1.816 -4.937 -9.132 1.00 0.00 H new ATOM 0 HB THR A 43 2.168 -6.969 -6.934 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.295 -7.972 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.201 -6.425 -6.358 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.861 -5.004 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.206 -5.179 -7.628 1.00 0.00 H new ATOM 641 N ARG A 44 2.783 -3.265 -7.563 1.00 0.00 N ATOM 642 CA ARG A 44 3.500 -2.130 -6.942 1.00 0.00 C ATOM 643 C ARG A 44 2.580 -1.223 -6.105 1.00 0.00 C ATOM 644 O ARG A 44 1.358 -1.245 -6.259 1.00 0.00 O ATOM 645 CB ARG A 44 4.247 -1.334 -8.035 1.00 0.00 C ATOM 646 CG ARG A 44 5.315 -2.166 -8.767 1.00 0.00 C ATOM 647 CD ARG A 44 6.039 -1.325 -9.825 1.00 0.00 C ATOM 648 NE ARG A 44 7.022 -2.132 -10.579 1.00 0.00 N ATOM 649 CZ ARG A 44 8.290 -2.348 -10.276 1.00 0.00 C ATOM 650 NH1 ARG A 44 8.849 -1.849 -9.209 1.00 0.00 N ATOM 651 NH2 ARG A 44 9.035 -3.078 -11.056 1.00 0.00 N ATOM 0 H ARG A 44 1.930 -2.972 -8.040 1.00 0.00 H new ATOM 0 HA ARG A 44 4.224 -2.538 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.525 -0.961 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.721 -0.464 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.037 -2.551 -8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.847 -3.029 -9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.310 -0.900 -10.515 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.546 -0.489 -9.343 1.00 0.00 H new ATOM 0 HE ARG A 44 6.682 -2.574 -11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.304 -1.268 -8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.831 -2.040 -9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.640 -3.485 -11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.013 -3.243 -10.819 1.00 0.00 H new ATOM 665 N LEU A 45 3.193 -0.424 -5.228 1.00 0.00 N ATOM 666 CA LEU A 45 2.566 0.452 -4.223 1.00 0.00 C ATOM 667 C LEU A 45 3.136 1.881 -4.316 1.00 0.00 C ATOM 668 O LEU A 45 4.356 2.058 -4.362 1.00 0.00 O ATOM 669 CB LEU A 45 2.805 -0.193 -2.835 1.00 0.00 C ATOM 670 CG LEU A 45 2.652 0.723 -1.601 1.00 0.00 C ATOM 671 CD1 LEU A 45 1.223 1.209 -1.375 1.00 0.00 C ATOM 672 CD2 LEU A 45 3.091 -0.034 -0.346 1.00 0.00 C ATOM 0 H LEU A 45 4.211 -0.365 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 45 1.494 0.547 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.112 -1.028 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.812 -0.611 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 45 3.276 1.596 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.191 1.847 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.890 1.776 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.566 0.352 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.983 0.612 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.469 -0.920 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.134 -0.334 -0.448 1.00 0.00 H new ATOM 684 N THR A 46 2.266 2.896 -4.283 1.00 0.00 N ATOM 685 CA THR A 46 2.641 4.326 -4.243 1.00 0.00 C ATOM 686 C THR A 46 1.772 5.149 -3.278 1.00 0.00 C ATOM 687 O THR A 46 0.637 4.784 -2.950 1.00 0.00 O ATOM 688 CB THR A 46 2.622 4.980 -5.640 1.00 0.00 C ATOM 689 OG1 THR A 46 1.326 4.955 -6.201 1.00 0.00 O ATOM 690 CG2 THR A 46 3.575 4.321 -6.639 1.00 0.00 C ATOM 0 H THR A 46 1.257 2.750 -4.283 1.00 0.00 H new ATOM 0 HA THR A 46 3.664 4.335 -3.868 1.00 0.00 H new ATOM 0 HB THR A 46 2.954 6.004 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.344 5.378 -7.085 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.508 4.834 -7.599 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.597 4.385 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.301 3.274 -6.767 1.00 0.00 H new ATOM 698 N TYR A 47 2.321 6.281 -2.825 1.00 0.00 N ATOM 699 CA TYR A 47 1.681 7.264 -1.942 1.00 0.00 C ATOM 700 C TYR A 47 2.187 8.682 -2.260 1.00 0.00 C ATOM 701 O TYR A 47 3.392 8.896 -2.391 1.00 0.00 O ATOM 702 CB TYR A 47 1.968 6.893 -0.474 1.00 0.00 C ATOM 703 CG TYR A 47 1.553 7.923 0.575 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.299 8.562 0.506 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.444 8.270 1.612 1.00 0.00 C ATOM 706 CE1 TYR A 47 -0.058 9.543 1.452 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.092 9.250 2.563 1.00 0.00 C ATOM 708 CZ TYR A 47 0.834 9.886 2.488 1.00 0.00 C ATOM 709 OH TYR A 47 0.484 10.855 3.377 1.00 0.00 O ATOM 0 H TYR A 47 3.272 6.551 -3.077 1.00 0.00 H new ATOM 0 HA TYR A 47 0.603 7.251 -2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.460 5.954 -0.252 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.037 6.709 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.394 8.297 -0.279 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.405 7.781 1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.018 10.034 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.785 9.514 3.348 1.00 0.00 H new ATOM 0 HH TYR A 47 1.204 10.975 4.031 1.00 0.00 H new ATOM 719 N LYS A 48 1.271 9.657 -2.388 1.00 0.00 N ATOM 720 CA LYS A 48 1.574 11.098 -2.554 1.00 0.00 C ATOM 721 C LYS A 48 2.568 11.387 -3.700 1.00 0.00 C ATOM 722 O LYS A 48 3.487 12.197 -3.578 1.00 0.00 O ATOM 723 CB LYS A 48 1.951 11.673 -1.170 1.00 0.00 C ATOM 724 CG LYS A 48 1.848 13.206 -1.078 1.00 0.00 C ATOM 725 CD LYS A 48 1.923 13.711 0.375 1.00 0.00 C ATOM 726 CE LYS A 48 0.673 13.401 1.215 1.00 0.00 C ATOM 727 NZ LYS A 48 -0.509 14.203 0.793 1.00 0.00 N ATOM 0 H LYS A 48 0.269 9.464 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 48 0.689 11.633 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.302 11.230 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.971 11.373 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.652 13.657 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.909 13.532 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.792 13.265 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.082 14.789 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.437 12.340 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.886 13.599 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.325 13.958 1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.296 15.216 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.732 13.996 -0.202 1.00 0.00 H new ATOM 741 N GLY A 49 2.401 10.672 -4.819 1.00 0.00 N ATOM 742 CA GLY A 49 3.233 10.783 -6.028 1.00 0.00 C ATOM 743 C GLY A 49 4.627 10.134 -5.942 1.00 0.00 C ATOM 744 O GLY A 49 5.443 10.338 -6.845 1.00 0.00 O ATOM 0 H GLY A 49 1.660 9.977 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.693 10.332 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.358 11.840 -6.265 1.00 0.00 H new ATOM 748 N ARG A 50 4.915 9.368 -4.878 1.00 0.00 N ATOM 749 CA ARG A 50 6.219 8.741 -4.574 1.00 0.00 C ATOM 750 C ARG A 50 6.084 7.234 -4.310 1.00 0.00 C ATOM 751 O ARG A 50 5.048 6.757 -3.842 1.00 0.00 O ATOM 752 CB ARG A 50 6.867 9.467 -3.372 1.00 0.00 C ATOM 753 CG ARG A 50 7.362 10.878 -3.741 1.00 0.00 C ATOM 754 CD ARG A 50 7.701 11.738 -2.516 1.00 0.00 C ATOM 755 NE ARG A 50 8.800 11.181 -1.700 1.00 0.00 N ATOM 756 CZ ARG A 50 9.386 11.771 -0.670 1.00 0.00 C ATOM 757 NH1 ARG A 50 9.057 12.971 -0.277 1.00 0.00 N ATOM 758 NH2 ARG A 50 10.329 11.166 -0.006 1.00 0.00 N ATOM 0 H ARG A 50 4.213 9.156 -4.169 1.00 0.00 H new ATOM 0 HA ARG A 50 6.865 8.844 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.143 9.539 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.704 8.876 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.246 10.792 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.596 11.382 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.975 12.739 -2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.811 11.840 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 50 9.139 10.253 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.326 13.486 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.531 13.394 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.623 10.228 -0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.774 11.630 0.786 1.00 0.00 H new ATOM 772 N ALA A 51 7.151 6.487 -4.592 1.00 0.00 N ATOM 773 CA ALA A 51 7.322 5.103 -4.149 1.00 0.00 C ATOM 774 C ALA A 51 7.924 5.071 -2.730 1.00 0.00 C ATOM 775 O ALA A 51 8.955 5.701 -2.472 1.00 0.00 O ATOM 776 CB ALA A 51 8.203 4.361 -5.163 1.00 0.00 C ATOM 0 H ALA A 51 7.935 6.833 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 51 6.356 4.600 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.337 3.328 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.724 4.377 -6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.175 4.850 -5.227 1.00 0.00 H new ATOM 782 N LEU A 52 7.291 4.338 -1.810 1.00 0.00 N ATOM 783 CA LEU A 52 7.803 4.109 -0.454 1.00 0.00 C ATOM 784 C LEU A 52 8.758 2.904 -0.422 1.00 0.00 C ATOM 785 O LEU A 52 8.481 1.884 -1.057 1.00 0.00 O ATOM 786 CB LEU A 52 6.635 3.901 0.530 1.00 0.00 C ATOM 787 CG LEU A 52 5.622 5.057 0.629 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.536 4.677 1.637 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.279 6.362 1.084 1.00 0.00 C ATOM 0 H LEU A 52 6.397 3.880 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 52 8.365 4.991 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.098 2.998 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.049 3.721 1.522 1.00 0.00 H new ATOM 0 HG LEU A 52 5.202 5.220 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.813 5.488 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.030 3.771 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.990 4.500 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.526 7.148 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.728 6.220 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.051 6.649 0.370 1.00 0.00 H new ATOM 801 N LYS A 53 9.849 3.002 0.350 1.00 0.00 N ATOM 802 CA LYS A 53 10.792 1.905 0.661 1.00 0.00 C ATOM 803 C LYS A 53 11.659 2.243 1.884 1.00 0.00 C ATOM 804 O LYS A 53 11.906 3.418 2.158 1.00 0.00 O ATOM 805 CB LYS A 53 11.692 1.612 -0.564 1.00 0.00 C ATOM 806 CG LYS A 53 11.972 0.117 -0.823 1.00 0.00 C ATOM 807 CD LYS A 53 10.948 -0.556 -1.756 1.00 0.00 C ATOM 808 CE LYS A 53 9.631 -0.946 -1.066 1.00 0.00 C ATOM 809 NZ LYS A 53 8.472 -0.788 -1.983 1.00 0.00 N ATOM 0 H LYS A 53 10.114 3.880 0.795 1.00 0.00 H new ATOM 0 HA LYS A 53 10.207 1.016 0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.223 2.038 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.643 2.127 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.967 0.013 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.983 -0.411 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.727 0.120 -2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.398 -1.450 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.689 -1.980 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.484 -0.326 -0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.723 -1.457 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.108 0.184 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.773 -0.980 -2.960 1.00 0.00 H new ATOM 823 N ASP A 54 12.122 1.218 2.606 1.00 0.00 N ATOM 824 CA ASP A 54 13.109 1.288 3.709 1.00 0.00 C ATOM 825 C ASP A 54 12.782 2.276 4.861 1.00 0.00 C ATOM 826 O ASP A 54 13.663 2.676 5.627 1.00 0.00 O ATOM 827 CB ASP A 54 14.532 1.477 3.136 1.00 0.00 C ATOM 828 CG ASP A 54 14.970 0.423 2.099 1.00 0.00 C ATOM 829 OD1 ASP A 54 14.427 -0.709 2.080 1.00 0.00 O ATOM 830 OD2 ASP A 54 15.903 0.719 1.314 1.00 0.00 O ATOM 0 H ASP A 54 11.807 0.263 2.435 1.00 0.00 H new ATOM 0 HA ASP A 54 13.049 0.324 4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.592 2.463 2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.243 1.467 3.962 1.00 0.00 H new ATOM 835 N THR A 55 11.511 2.672 5.003 1.00 0.00 N ATOM 836 CA THR A 55 11.038 3.670 5.987 1.00 0.00 C ATOM 837 C THR A 55 10.962 3.102 7.414 1.00 0.00 C ATOM 838 O THR A 55 11.167 3.833 8.382 1.00 0.00 O ATOM 839 CB THR A 55 9.677 4.225 5.522 1.00 0.00 C ATOM 840 OG1 THR A 55 9.870 4.982 4.343 1.00 0.00 O ATOM 841 CG2 THR A 55 8.965 5.131 6.528 1.00 0.00 C ATOM 0 H THR A 55 10.758 2.301 4.424 1.00 0.00 H new ATOM 0 HA THR A 55 11.764 4.481 6.033 1.00 0.00 H new ATOM 0 HB THR A 55 9.045 3.349 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.009 5.338 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.018 5.469 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.776 4.576 7.447 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.593 5.994 6.748 1.00 0.00 H new ATOM 849 N GLU A 56 10.707 1.795 7.548 1.00 0.00 N ATOM 850 CA GLU A 56 10.492 1.033 8.796 1.00 0.00 C ATOM 851 C GLU A 56 9.263 1.460 9.633 1.00 0.00 C ATOM 852 O GLU A 56 8.404 0.621 9.905 1.00 0.00 O ATOM 853 CB GLU A 56 11.794 0.951 9.618 1.00 0.00 C ATOM 854 CG GLU A 56 11.721 -0.112 10.728 1.00 0.00 C ATOM 855 CD GLU A 56 13.036 -0.289 11.522 1.00 0.00 C ATOM 856 OE1 GLU A 56 14.074 0.339 11.197 1.00 0.00 O ATOM 857 OE2 GLU A 56 13.039 -1.080 12.497 1.00 0.00 O ATOM 0 H GLU A 56 10.639 1.192 6.728 1.00 0.00 H new ATOM 0 HA GLU A 56 10.225 0.024 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.626 0.721 8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.001 1.924 10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.924 0.157 11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.447 -1.068 10.283 1.00 0.00 H new ATOM 864 N THR A 57 9.123 2.741 9.995 1.00 0.00 N ATOM 865 CA THR A 57 7.931 3.309 10.664 1.00 0.00 C ATOM 866 C THR A 57 7.606 4.707 10.129 1.00 0.00 C ATOM 867 O THR A 57 8.495 5.545 9.958 1.00 0.00 O ATOM 868 CB THR A 57 8.062 3.377 12.202 1.00 0.00 C ATOM 869 OG1 THR A 57 9.066 4.281 12.613 1.00 0.00 O ATOM 870 CG2 THR A 57 8.355 2.032 12.865 1.00 0.00 C ATOM 0 H THR A 57 9.852 3.435 9.829 1.00 0.00 H new ATOM 0 HA THR A 57 7.118 2.622 10.431 1.00 0.00 H new ATOM 0 HB THR A 57 7.079 3.718 12.527 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.114 4.294 13.592 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.432 2.167 13.944 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.548 1.334 12.643 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.295 1.634 12.481 1.00 0.00 H new ATOM 878 N LEU A 58 6.319 4.990 9.893 1.00 0.00 N ATOM 879 CA LEU A 58 5.857 6.321 9.469 1.00 0.00 C ATOM 880 C LEU A 58 6.016 7.368 10.586 1.00 0.00 C ATOM 881 O LEU A 58 6.162 8.552 10.297 1.00 0.00 O ATOM 882 CB LEU A 58 4.392 6.237 8.989 1.00 0.00 C ATOM 883 CG LEU A 58 4.231 5.872 7.499 1.00 0.00 C ATOM 884 CD1 LEU A 58 4.811 4.507 7.123 1.00 0.00 C ATOM 885 CD2 LEU A 58 2.745 5.867 7.139 1.00 0.00 C ATOM 0 H LEU A 58 5.569 4.306 9.990 1.00 0.00 H new ATOM 0 HA LEU A 58 6.484 6.650 8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.867 5.496 9.591 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.907 7.196 9.170 1.00 0.00 H new ATOM 0 HG LEU A 58 4.790 6.626 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.657 4.327 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.879 4.492 7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.311 3.728 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.626 5.609 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.224 5.132 7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.323 6.856 7.320 1.00 0.00 H new ATOM 897 N GLU A 59 6.054 6.949 11.857 1.00 0.00 N ATOM 898 CA GLU A 59 6.277 7.841 13.006 1.00 0.00 C ATOM 899 C GLU A 59 7.645 8.548 12.960 1.00 0.00 C ATOM 900 O GLU A 59 7.745 9.711 13.356 1.00 0.00 O ATOM 901 CB GLU A 59 6.082 7.046 14.308 1.00 0.00 C ATOM 902 CG GLU A 59 6.099 7.945 15.554 1.00 0.00 C ATOM 903 CD GLU A 59 5.661 7.197 16.829 1.00 0.00 C ATOM 904 OE1 GLU A 59 6.125 6.056 17.072 1.00 0.00 O ATOM 905 OE2 GLU A 59 4.863 7.762 17.618 1.00 0.00 O ATOM 0 H GLU A 59 5.930 5.972 12.121 1.00 0.00 H new ATOM 0 HA GLU A 59 5.540 8.643 12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.134 6.509 14.264 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.869 6.297 14.394 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.104 8.343 15.697 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.439 8.797 15.392 1.00 0.00 H new ATOM 912 N SER A 60 8.677 7.907 12.395 1.00 0.00 N ATOM 913 CA SER A 60 9.999 8.525 12.181 1.00 0.00 C ATOM 914 C SER A 60 9.974 9.702 11.184 1.00 0.00 C ATOM 915 O SER A 60 10.849 10.571 11.236 1.00 0.00 O ATOM 916 CB SER A 60 11.015 7.468 11.726 1.00 0.00 C ATOM 917 OG SER A 60 10.804 7.060 10.384 1.00 0.00 O ATOM 0 H SER A 60 8.621 6.941 12.071 1.00 0.00 H new ATOM 0 HA SER A 60 10.301 8.940 13.142 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.023 7.870 11.827 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.951 6.600 12.382 1.00 0.00 H new ATOM 0 HG SER A 60 9.970 6.550 10.325 1.00 0.00 H new ATOM 923 N LEU A 61 8.960 9.758 10.309 1.00 0.00 N ATOM 924 CA LEU A 61 8.707 10.830 9.332 1.00 0.00 C ATOM 925 C LEU A 61 7.502 11.725 9.712 1.00 0.00 C ATOM 926 O LEU A 61 7.180 12.669 8.985 1.00 0.00 O ATOM 927 CB LEU A 61 8.518 10.207 7.932 1.00 0.00 C ATOM 928 CG LEU A 61 9.644 9.270 7.448 1.00 0.00 C ATOM 929 CD1 LEU A 61 9.329 8.783 6.033 1.00 0.00 C ATOM 930 CD2 LEU A 61 11.015 9.951 7.414 1.00 0.00 C ATOM 0 H LEU A 61 8.258 9.020 10.260 1.00 0.00 H new ATOM 0 HA LEU A 61 9.575 11.489 9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.582 9.649 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.410 11.015 7.209 1.00 0.00 H new ATOM 0 HG LEU A 61 9.689 8.446 8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.124 8.121 5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.383 8.242 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.255 9.639 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.765 9.241 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.981 10.804 6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.276 10.293 8.415 1.00 0.00 H new ATOM 942 N GLY A 62 6.839 11.438 10.839 1.00 0.00 N ATOM 943 CA GLY A 62 5.564 12.023 11.267 1.00 0.00 C ATOM 944 C GLY A 62 4.344 11.361 10.603 1.00 0.00 C ATOM 945 O GLY A 62 4.179 11.413 9.382 1.00 0.00 O ATOM 0 H GLY A 62 7.196 10.758 11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.475 11.933 12.350 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.563 13.088 11.035 1.00 0.00 H new ATOM 949 N VAL A 63 3.463 10.759 11.414 1.00 0.00 N ATOM 950 CA VAL A 63 2.178 10.178 10.968 1.00 0.00 C ATOM 951 C VAL A 63 1.150 11.284 10.682 1.00 0.00 C ATOM 952 O VAL A 63 0.956 12.189 11.498 1.00 0.00 O ATOM 953 CB VAL A 63 1.641 9.166 12.006 1.00 0.00 C ATOM 954 CG1 VAL A 63 0.203 8.700 11.743 1.00 0.00 C ATOM 955 CG2 VAL A 63 2.511 7.904 12.024 1.00 0.00 C ATOM 0 H VAL A 63 3.621 10.658 12.417 1.00 0.00 H new ATOM 0 HA VAL A 63 2.352 9.637 10.038 1.00 0.00 H new ATOM 0 HB VAL A 63 1.666 9.704 12.953 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.097 7.992 12.516 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.467 9.560 11.758 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.150 8.216 10.768 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.119 7.202 12.760 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.499 7.440 11.038 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.534 8.171 12.287 1.00 0.00 H new ATOM 965 N ALA A 64 0.472 11.191 9.535 1.00 0.00 N ATOM 966 CA ALA A 64 -0.662 12.034 9.139 1.00 0.00 C ATOM 967 C ALA A 64 -2.006 11.266 9.246 1.00 0.00 C ATOM 968 O ALA A 64 -2.056 10.138 9.749 1.00 0.00 O ATOM 969 CB ALA A 64 -0.365 12.571 7.731 1.00 0.00 C ATOM 0 H ALA A 64 0.708 10.497 8.826 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.779 12.879 9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.189 13.204 7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.556 13.154 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.251 11.736 7.040 1.00 0.00 H new ATOM 975 N ASP A 65 -3.113 11.873 8.807 1.00 0.00 N ATOM 976 CA ASP A 65 -4.452 11.262 8.840 1.00 0.00 C ATOM 977 C ASP A 65 -5.280 11.552 7.574 1.00 0.00 C ATOM 978 O ASP A 65 -5.140 12.612 6.955 1.00 0.00 O ATOM 979 CB ASP A 65 -5.197 11.713 10.111 1.00 0.00 C ATOM 980 CG ASP A 65 -6.418 10.836 10.417 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.383 9.627 10.088 1.00 0.00 O ATOM 982 OD2 ASP A 65 -7.393 11.343 11.024 1.00 0.00 O ATOM 0 H ASP A 65 -3.108 12.814 8.413 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.317 10.181 8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.512 11.686 10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.517 12.748 9.993 1.00 0.00 H new ATOM 987 N GLY A 66 -6.155 10.614 7.193 1.00 0.00 N ATOM 988 CA GLY A 66 -6.917 10.666 5.936 1.00 0.00 C ATOM 989 C GLY A 66 -6.084 10.333 4.686 1.00 0.00 C ATOM 990 O GLY A 66 -6.424 10.763 3.580 1.00 0.00 O ATOM 0 H GLY A 66 -6.358 9.787 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.752 9.969 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.342 11.663 5.822 1.00 0.00 H new ATOM 994 N ASP A 67 -4.979 9.601 4.857 1.00 0.00 N ATOM 995 CA ASP A 67 -4.055 9.193 3.784 1.00 0.00 C ATOM 996 C ASP A 67 -4.698 8.175 2.818 1.00 0.00 C ATOM 997 O ASP A 67 -5.709 7.540 3.140 1.00 0.00 O ATOM 998 CB ASP A 67 -2.752 8.619 4.382 1.00 0.00 C ATOM 999 CG ASP A 67 -2.026 9.530 5.389 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -2.277 10.757 5.425 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -1.181 9.003 6.152 1.00 0.00 O ATOM 0 H ASP A 67 -4.690 9.263 5.775 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.819 10.086 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.984 7.675 4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.067 8.392 3.565 1.00 0.00 H new ATOM 1006 N LYS A 68 -4.083 7.964 1.645 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.471 6.905 0.699 1.00 0.00 C ATOM 1008 C LYS A 68 -3.277 6.206 0.050 1.00 0.00 C ATOM 1009 O LYS A 68 -2.290 6.851 -0.293 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.473 7.417 -0.354 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.030 8.658 -1.146 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.795 8.735 -2.478 1.00 0.00 C ATOM 1013 CE LYS A 68 -5.558 10.059 -3.218 1.00 0.00 C ATOM 1014 NZ LYS A 68 -6.420 11.154 -2.695 1.00 0.00 N ATOM 0 H LYS A 68 -3.296 8.527 1.323 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.976 6.145 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.674 6.611 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.414 7.645 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.214 9.558 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.957 8.614 -1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.490 7.906 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.862 8.615 -2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.511 10.345 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.754 9.920 -4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.228 12.029 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.420 10.893 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.215 11.305 -1.687 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.384 4.893 -0.148 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.359 4.057 -0.787 1.00 0.00 C ATOM 1030 C PHE A 69 -2.902 3.451 -2.083 1.00 0.00 C ATOM 1031 O PHE A 69 -3.910 2.741 -2.057 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.900 2.948 0.174 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.242 3.362 1.485 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.550 4.584 1.623 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.287 2.472 2.576 1.00 0.00 C ATOM 1036 CE1 PHE A 69 0.073 4.917 2.840 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -0.661 2.802 3.792 1.00 0.00 C ATOM 1038 CZ PHE A 69 0.019 4.025 3.925 1.00 0.00 C ATOM 0 H PHE A 69 -4.207 4.363 0.138 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.500 4.682 -1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.769 2.335 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.199 2.309 -0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.498 5.268 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.806 1.530 2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.593 5.858 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.703 2.115 4.624 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.499 4.279 4.859 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.244 3.715 -3.214 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.639 3.179 -4.528 1.00 0.00 C ATOM 1050 C VAL A 70 -1.821 1.928 -4.846 1.00 0.00 C ATOM 1051 O VAL A 70 -0.589 1.956 -4.764 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.513 4.241 -5.638 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -2.944 3.689 -7.004 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.386 5.468 -5.333 1.00 0.00 C ATOM 0 H VAL A 70 -1.416 4.310 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.692 2.900 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.461 4.524 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.841 4.467 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.314 2.840 -7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.984 3.367 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.277 6.200 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.430 5.163 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.071 5.913 -4.389 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.500 0.840 -5.218 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.876 -0.413 -5.656 1.00 0.00 C ATOM 1066 C LEU A 71 -2.141 -0.628 -7.152 1.00 0.00 C ATOM 1067 O LEU A 71 -3.290 -0.540 -7.591 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.370 -1.626 -4.839 1.00 0.00 C ATOM 1069 CG LEU A 71 -2.563 -1.416 -3.327 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -3.125 -2.693 -2.709 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -1.253 -1.078 -2.619 1.00 0.00 C ATOM 0 H LEU A 71 -3.519 0.804 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.803 -0.329 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.321 -1.954 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.661 -2.442 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.248 -0.578 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.263 -2.548 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.084 -2.929 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.430 -3.515 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.440 -0.939 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.543 -1.893 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.839 -0.160 -3.038 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.101 -0.948 -7.922 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.169 -1.177 -9.375 1.00 0.00 C ATOM 1085 C ILE A 72 -0.597 -2.556 -9.732 1.00 0.00 C ATOM 1086 O ILE A 72 0.386 -2.994 -9.137 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.512 -0.007 -10.149 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.741 -0.166 -11.671 1.00 0.00 C ATOM 1089 CG2 ILE A 72 0.988 0.138 -9.831 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -0.411 1.093 -12.483 1.00 0.00 C ATOM 0 H ILE A 72 -0.159 -1.059 -7.547 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.212 -1.192 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.995 0.911 -9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.131 -0.992 -12.036 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.782 -0.437 -11.846 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.401 0.972 -10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.118 0.325 -8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.508 -0.780 -10.104 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.597 0.903 -13.540 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.039 1.918 -12.147 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.638 1.354 -12.340 1.00 0.00 H new ATOM 1102 N THR A 73 -1.209 -3.241 -10.701 1.00 0.00 N ATOM 1103 CA THR A 73 -0.834 -4.596 -11.148 1.00 0.00 C ATOM 1104 C THR A 73 -0.746 -4.680 -12.676 1.00 0.00 C ATOM 1105 O THR A 73 -1.590 -4.127 -13.392 1.00 0.00 O ATOM 1106 CB THR A 73 -1.778 -5.661 -10.558 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.400 -6.940 -11.014 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.255 -5.477 -10.924 1.00 0.00 C ATOM 0 H THR A 73 -2.004 -2.862 -11.215 1.00 0.00 H new ATOM 0 HA THR A 73 0.164 -4.809 -10.765 1.00 0.00 H new ATOM 0 HB THR A 73 -1.683 -5.551 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.002 -7.614 -10.635 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.845 -6.271 -10.466 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.602 -4.510 -10.560 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.369 -5.519 -12.007 1.00 0.00 H new ATOM 1116 N ARG A 74 0.299 -5.340 -13.190 1.00 0.00 N ATOM 1117 CA ARG A 74 0.537 -5.559 -14.628 1.00 0.00 C ATOM 1118 C ARG A 74 -0.336 -6.698 -15.175 1.00 0.00 C ATOM 1119 O ARG A 74 -0.531 -7.715 -14.505 1.00 0.00 O ATOM 1120 CB ARG A 74 2.039 -5.830 -14.874 1.00 0.00 C ATOM 1121 CG ARG A 74 2.553 -5.188 -16.172 1.00 0.00 C ATOM 1122 CD ARG A 74 2.792 -3.680 -15.994 1.00 0.00 C ATOM 1123 NE ARG A 74 3.071 -3.003 -17.278 1.00 0.00 N ATOM 1124 CZ ARG A 74 4.211 -2.974 -17.948 1.00 0.00 C ATOM 1125 NH1 ARG A 74 5.279 -3.602 -17.541 1.00 0.00 N ATOM 1126 NH2 ARG A 74 4.297 -2.302 -19.060 1.00 0.00 N ATOM 0 H ARG A 74 1.025 -5.750 -12.603 1.00 0.00 H new ATOM 0 HA ARG A 74 0.253 -4.656 -15.169 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.616 -5.448 -14.032 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.208 -6.906 -14.914 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.481 -5.672 -16.477 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.831 -5.352 -16.972 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.916 -3.227 -15.530 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.629 -3.524 -15.314 1.00 0.00 H new ATOM 0 HE ARG A 74 2.291 -2.498 -17.698 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.255 -4.142 -16.676 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.139 -3.554 -18.088 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.485 -1.797 -19.415 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.177 -2.280 -19.576 1.00 0.00 H new