USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 Single : A 1 ARG N :NH3+ 153:sc= 0.00637 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -51:sc= 0.626! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -4.38! USER MOD Single : A 24 ASN : amide:sc= -0.442 K(o=-0.44,f=-2.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 35 TYR OH : rot 180:sc= -2.11! USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= 0.685 (180deg=0.158) USER MOD Single : A 43 ASN : amide:sc= -3.22! C(o=-3.2!,f=-6.9!) USER MOD Single : A 44 ASN : amide:sc= -6.91! C(o=-6.9!,f=-12!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 144:sc= -0.428 (180deg=-1.6!) USER MOD Single : A 54 THR OG1 : rot 129:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.431 -5.571 5.307 1.00 0.00 N ATOM 2 CA ARG A 1 13.089 -5.031 4.945 1.00 0.00 C ATOM 3 C ARG A 1 12.026 -6.125 5.071 1.00 0.00 C ATOM 4 O ARG A 1 12.327 -7.300 4.989 1.00 0.00 O ATOM 5 CB ARG A 1 13.221 -4.575 3.491 1.00 0.00 C ATOM 6 CG ARG A 1 13.186 -3.047 3.428 1.00 0.00 C ATOM 7 CD ARG A 1 13.005 -2.597 1.974 1.00 0.00 C ATOM 8 NE ARG A 1 14.131 -3.228 1.230 1.00 0.00 N ATOM 9 CZ ARG A 1 15.364 -2.965 1.566 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.649 -1.861 2.202 1.00 0.00 N ATOM 11 NH2 ARG A 1 16.315 -3.806 1.262 1.00 0.00 N ATOM 0 H1 ARG A 1 15.168 -5.030 4.812 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.572 -5.489 6.334 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.490 -6.571 5.028 1.00 0.00 H new ATOM 0 HA ARG A 1 12.783 -4.215 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 1 14.154 -4.945 3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.411 -4.992 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.370 -2.666 4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 1 14.109 -2.635 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.042 -2.919 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.037 -1.511 1.891 1.00 0.00 H new ATOM 0 HE ARG A 1 13.938 -3.866 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.907 -1.202 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.614 -1.658 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.094 -4.667 0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 1 17.279 -3.602 1.524 1.00 0.00 H new ATOM 27 N PRO A 2 10.812 -5.693 5.268 1.00 0.00 N ATOM 28 CA PRO A 2 9.673 -6.634 5.411 1.00 0.00 C ATOM 29 C PRO A 2 9.302 -7.252 4.066 1.00 0.00 C ATOM 30 O PRO A 2 9.716 -6.791 3.021 1.00 0.00 O ATOM 31 CB PRO A 2 8.540 -5.749 5.909 1.00 0.00 C ATOM 32 CG PRO A 2 8.889 -4.370 5.448 1.00 0.00 C ATOM 33 CD PRO A 2 10.389 -4.293 5.378 1.00 0.00 C ATOM 0 HA PRO A 2 9.899 -7.466 6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.581 -6.070 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.455 -5.792 6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.447 -4.167 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.497 -3.623 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.719 -3.708 4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.806 -3.819 6.266 1.00 0.00 H new ATOM 41 N ASP A 3 8.513 -8.288 4.086 1.00 0.00 N ATOM 42 CA ASP A 3 8.101 -8.931 2.812 1.00 0.00 C ATOM 43 C ASP A 3 6.761 -8.352 2.354 1.00 0.00 C ATOM 44 O ASP A 3 6.422 -8.403 1.189 1.00 0.00 O ATOM 45 CB ASP A 3 7.966 -10.419 3.136 1.00 0.00 C ATOM 46 CG ASP A 3 8.418 -11.245 1.929 1.00 0.00 C ATOM 47 OD1 ASP A 3 9.445 -10.915 1.361 1.00 0.00 O ATOM 48 OD2 ASP A 3 7.728 -12.194 1.593 1.00 0.00 O ATOM 0 H ASP A 3 8.136 -8.717 4.931 1.00 0.00 H new ATOM 0 HA ASP A 3 8.818 -8.762 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.570 -10.669 4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.932 -10.656 3.386 1.00 0.00 H new ATOM 53 N PHE A 4 5.994 -7.793 3.258 1.00 0.00 N ATOM 54 CA PHE A 4 4.682 -7.211 2.840 1.00 0.00 C ATOM 55 C PHE A 4 4.914 -6.001 1.935 1.00 0.00 C ATOM 56 O PHE A 4 4.052 -5.609 1.175 1.00 0.00 O ATOM 57 CB PHE A 4 3.948 -6.813 4.127 1.00 0.00 C ATOM 58 CG PHE A 4 4.638 -5.650 4.804 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.541 -4.353 4.274 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.368 -5.870 5.976 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.177 -3.289 4.917 1.00 0.00 C ATOM 62 CE2 PHE A 4 6.002 -4.803 6.618 1.00 0.00 C ATOM 63 CZ PHE A 4 5.907 -3.513 6.088 1.00 0.00 C ATOM 0 H PHE A 4 6.215 -7.715 4.251 1.00 0.00 H new ATOM 0 HA PHE A 4 4.087 -7.926 2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.918 -6.544 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.910 -7.664 4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.975 -4.179 3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.442 -6.866 6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.105 -2.292 4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.565 -4.975 7.523 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.398 -2.689 6.584 1.00 0.00 H new ATOM 73 N CYS A 5 6.078 -5.416 1.999 1.00 0.00 N ATOM 74 CA CYS A 5 6.370 -4.240 1.132 1.00 0.00 C ATOM 75 C CYS A 5 6.821 -4.721 -0.249 1.00 0.00 C ATOM 76 O CYS A 5 6.730 -4.008 -1.229 1.00 0.00 O ATOM 77 CB CYS A 5 7.504 -3.497 1.837 1.00 0.00 C ATOM 78 SG CYS A 5 6.831 -2.056 2.697 1.00 0.00 S ATOM 0 H CYS A 5 6.840 -5.701 2.614 1.00 0.00 H new ATOM 0 HA CYS A 5 5.499 -3.601 0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.002 -4.158 2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.255 -3.184 1.112 1.00 0.00 H new ATOM 83 N LEU A 6 7.299 -5.932 -0.330 1.00 0.00 N ATOM 84 CA LEU A 6 7.752 -6.473 -1.643 1.00 0.00 C ATOM 85 C LEU A 6 6.550 -6.998 -2.431 1.00 0.00 C ATOM 86 O LEU A 6 6.616 -7.198 -3.627 1.00 0.00 O ATOM 87 CB LEU A 6 8.708 -7.616 -1.292 1.00 0.00 C ATOM 88 CG LEU A 6 9.679 -7.156 -0.201 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.706 -8.257 0.068 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.401 -5.889 -0.663 1.00 0.00 C ATOM 0 H LEU A 6 7.396 -6.572 0.458 1.00 0.00 H new ATOM 0 HA LEU A 6 8.236 -5.717 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.144 -8.483 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.261 -7.926 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 6 9.124 -6.947 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.397 -7.928 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.193 -9.161 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.261 -8.468 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.092 -5.561 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.955 -6.099 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.670 -5.103 -0.854 1.00 0.00 H new ATOM 102 N GLU A 7 5.450 -7.217 -1.764 1.00 0.00 N ATOM 103 CA GLU A 7 4.237 -7.725 -2.464 1.00 0.00 C ATOM 104 C GLU A 7 3.455 -6.559 -3.074 1.00 0.00 C ATOM 105 O GLU A 7 3.626 -5.423 -2.679 1.00 0.00 O ATOM 106 CB GLU A 7 3.412 -8.406 -1.370 1.00 0.00 C ATOM 107 CG GLU A 7 3.169 -9.870 -1.745 1.00 0.00 C ATOM 108 CD GLU A 7 4.187 -10.758 -1.027 1.00 0.00 C ATOM 109 OE1 GLU A 7 5.350 -10.706 -1.391 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.787 -11.474 -0.123 1.00 0.00 O ATOM 0 H GLU A 7 5.339 -7.065 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 7 4.481 -8.406 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.936 -8.347 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.460 -7.890 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.156 -10.164 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.255 -9.999 -2.824 1.00 0.00 H new ATOM 117 N PRO A 8 2.615 -6.883 -4.018 1.00 0.00 N ATOM 118 CA PRO A 8 1.790 -5.849 -4.686 1.00 0.00 C ATOM 119 C PRO A 8 0.693 -5.358 -3.737 1.00 0.00 C ATOM 120 O PRO A 8 0.420 -5.982 -2.732 1.00 0.00 O ATOM 121 CB PRO A 8 1.195 -6.584 -5.885 1.00 0.00 C ATOM 122 CG PRO A 8 1.203 -8.029 -5.496 1.00 0.00 C ATOM 123 CD PRO A 8 2.356 -8.226 -4.545 1.00 0.00 C ATOM 0 HA PRO A 8 2.356 -4.965 -4.980 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.183 -6.238 -6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.786 -6.414 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.261 -8.305 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.316 -8.664 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.101 -8.925 -3.748 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.230 -8.630 -5.056 1.00 0.00 H new ATOM 131 N PRO A 9 0.101 -4.250 -4.089 1.00 0.00 N ATOM 132 CA PRO A 9 -0.975 -3.667 -3.252 1.00 0.00 C ATOM 133 C PRO A 9 -2.244 -4.523 -3.327 1.00 0.00 C ATOM 134 O PRO A 9 -2.429 -5.300 -4.242 1.00 0.00 O ATOM 135 CB PRO A 9 -1.194 -2.283 -3.857 1.00 0.00 C ATOM 136 CG PRO A 9 -0.708 -2.391 -5.267 1.00 0.00 C ATOM 137 CD PRO A 9 0.370 -3.445 -5.285 1.00 0.00 C ATOM 0 HA PRO A 9 -0.717 -3.620 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.246 -2.000 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.642 -1.521 -3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.524 -2.664 -5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.317 -1.434 -5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.322 -4.049 -6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.364 -2.999 -5.251 1.00 0.00 H new ATOM 145 N TYR A 10 -3.112 -4.392 -2.361 1.00 0.00 N ATOM 146 CA TYR A 10 -4.366 -5.204 -2.354 1.00 0.00 C ATOM 147 C TYR A 10 -5.591 -4.303 -2.471 1.00 0.00 C ATOM 148 O TYR A 10 -6.110 -3.809 -1.489 1.00 0.00 O ATOM 149 CB TYR A 10 -4.353 -5.920 -1.004 1.00 0.00 C ATOM 150 CG TYR A 10 -5.305 -7.090 -1.033 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.079 -8.159 -1.909 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.415 -7.107 -0.180 1.00 0.00 C ATOM 153 CE1 TYR A 10 -5.964 -9.245 -1.932 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.299 -8.193 -0.202 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.074 -9.262 -1.078 1.00 0.00 C ATOM 156 OH TYR A 10 -7.945 -10.332 -1.098 1.00 0.00 O ATOM 0 H TYR A 10 -3.007 -3.755 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.413 -5.900 -3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.345 -6.266 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.639 -5.227 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.223 -8.146 -2.567 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.590 -6.282 0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.790 -10.069 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.155 -8.206 0.457 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.659 -10.185 -0.443 1.00 0.00 H new ATOM 166 N THR A 11 -6.069 -4.109 -3.666 1.00 0.00 N ATOM 167 CA THR A 11 -7.277 -3.267 -3.855 1.00 0.00 C ATOM 168 C THR A 11 -8.444 -3.934 -3.129 1.00 0.00 C ATOM 169 O THR A 11 -9.418 -3.302 -2.777 1.00 0.00 O ATOM 170 CB THR A 11 -7.512 -3.238 -5.371 1.00 0.00 C ATOM 171 OG1 THR A 11 -6.703 -2.227 -5.954 1.00 0.00 O ATOM 172 CG2 THR A 11 -8.985 -2.939 -5.666 1.00 0.00 C ATOM 0 H THR A 11 -5.673 -4.499 -4.522 1.00 0.00 H new ATOM 0 HA THR A 11 -7.171 -2.257 -3.460 1.00 0.00 H new ATOM 0 HB THR A 11 -7.251 -4.209 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.842 -1.382 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.144 -2.920 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.610 -3.713 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.251 -1.970 -5.243 1.00 0.00 H new ATOM 180 N GLY A 12 -8.346 -5.219 -2.913 1.00 0.00 N ATOM 181 CA GLY A 12 -9.449 -5.944 -2.217 1.00 0.00 C ATOM 182 C GLY A 12 -10.737 -5.811 -3.031 1.00 0.00 C ATOM 183 O GLY A 12 -10.796 -5.053 -3.977 1.00 0.00 O ATOM 0 H GLY A 12 -7.552 -5.797 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.189 -6.996 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.594 -5.535 -1.217 1.00 0.00 H new ATOM 187 N PRO A 13 -11.729 -6.563 -2.637 1.00 0.00 N ATOM 188 CA PRO A 13 -13.033 -6.532 -3.345 1.00 0.00 C ATOM 189 C PRO A 13 -13.798 -5.240 -3.029 1.00 0.00 C ATOM 190 O PRO A 13 -13.630 -4.233 -3.687 1.00 0.00 O ATOM 191 CB PRO A 13 -13.767 -7.751 -2.793 1.00 0.00 C ATOM 192 CG PRO A 13 -13.154 -8.000 -1.451 1.00 0.00 C ATOM 193 CD PRO A 13 -11.732 -7.505 -1.512 1.00 0.00 C ATOM 0 HA PRO A 13 -12.928 -6.555 -4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.837 -7.562 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.646 -8.614 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.710 -7.479 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.182 -9.062 -1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.440 -7.017 -0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.032 -8.324 -1.676 1.00 0.00 H new ATOM 201 N CYS A 14 -14.644 -5.261 -2.032 1.00 0.00 N ATOM 202 CA CYS A 14 -15.423 -4.035 -1.686 1.00 0.00 C ATOM 203 C CYS A 14 -15.972 -3.377 -2.957 1.00 0.00 C ATOM 204 O CYS A 14 -15.921 -3.940 -4.032 1.00 0.00 O ATOM 205 CB CYS A 14 -14.427 -3.107 -0.989 1.00 0.00 C ATOM 206 SG CYS A 14 -14.563 -3.319 0.803 1.00 0.00 S ATOM 0 H CYS A 14 -14.829 -6.073 -1.443 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.279 -4.261 -1.050 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.412 -3.332 -1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.627 -2.070 -1.260 1.00 0.00 H new ATOM 211 N LYS A 15 -16.501 -2.188 -2.839 1.00 0.00 N ATOM 212 CA LYS A 15 -17.055 -1.495 -4.037 1.00 0.00 C ATOM 213 C LYS A 15 -16.584 -0.038 -4.075 1.00 0.00 C ATOM 214 O LYS A 15 -17.035 0.750 -4.883 1.00 0.00 O ATOM 215 CB LYS A 15 -18.572 -1.561 -3.868 1.00 0.00 C ATOM 216 CG LYS A 15 -19.178 -2.377 -5.012 1.00 0.00 C ATOM 217 CD LYS A 15 -20.377 -3.173 -4.495 1.00 0.00 C ATOM 218 CE LYS A 15 -21.244 -3.613 -5.675 1.00 0.00 C ATOM 219 NZ LYS A 15 -22.611 -3.118 -5.353 1.00 0.00 N ATOM 0 H LYS A 15 -16.573 -1.668 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.727 -1.959 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.822 -2.016 -2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.992 -0.555 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.489 -1.714 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.430 -3.054 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.035 -4.044 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.963 -2.563 -3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.881 -3.189 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.233 -4.697 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -23.265 -3.382 -6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.933 -3.543 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.591 -2.083 -5.256 1.00 0.00 H new ATOM 233 N ALA A 16 -15.680 0.327 -3.207 1.00 0.00 N ATOM 234 CA ALA A 16 -15.182 1.732 -3.199 1.00 0.00 C ATOM 235 C ALA A 16 -13.849 1.811 -3.945 1.00 0.00 C ATOM 236 O ALA A 16 -13.375 0.833 -4.488 1.00 0.00 O ATOM 237 CB ALA A 16 -15.001 2.081 -1.721 1.00 0.00 C ATOM 0 H ALA A 16 -15.266 -0.285 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.866 2.423 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.635 3.104 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.958 1.991 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.281 1.397 -1.271 1.00 0.00 H new ATOM 243 N ARG A 17 -13.240 2.964 -3.986 1.00 0.00 N ATOM 244 CA ARG A 17 -11.942 3.084 -4.709 1.00 0.00 C ATOM 245 C ARG A 17 -11.090 4.205 -4.108 1.00 0.00 C ATOM 246 O ARG A 17 -11.068 5.314 -4.604 1.00 0.00 O ATOM 247 CB ARG A 17 -12.323 3.409 -6.153 1.00 0.00 C ATOM 248 CG ARG A 17 -13.103 4.725 -6.194 1.00 0.00 C ATOM 249 CD ARG A 17 -14.183 4.643 -7.274 1.00 0.00 C ATOM 250 NE ARG A 17 -13.918 5.801 -8.173 1.00 0.00 N ATOM 251 CZ ARG A 17 -13.666 5.601 -9.438 1.00 0.00 C ATOM 252 NH1 ARG A 17 -12.680 4.822 -9.791 1.00 0.00 N ATOM 253 NH2 ARG A 17 -14.399 6.181 -10.349 1.00 0.00 N ATOM 0 H ARG A 17 -13.581 3.822 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.348 2.173 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.426 3.487 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.927 2.603 -6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.558 4.921 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.427 5.555 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.126 3.700 -7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.181 4.701 -6.839 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.933 6.750 -7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.107 4.370 -9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.483 4.665 -10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.169 6.791 -10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.202 6.025 -11.338 1.00 0.00 H new ATOM 267 N ILE A 18 -10.381 3.922 -3.048 1.00 0.00 N ATOM 268 CA ILE A 18 -9.523 4.969 -2.423 1.00 0.00 C ATOM 269 C ILE A 18 -8.081 4.827 -2.920 1.00 0.00 C ATOM 270 O ILE A 18 -7.674 3.776 -3.373 1.00 0.00 O ATOM 271 CB ILE A 18 -9.603 4.704 -0.919 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.062 4.801 -0.463 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.768 5.745 -0.172 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.140 4.573 1.046 1.00 0.00 C ATOM 0 H ILE A 18 -10.359 3.012 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.850 5.978 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.218 3.707 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.469 5.780 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.668 4.060 -0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.825 5.556 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.730 5.680 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.153 6.742 -0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.178 4.642 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.750 3.584 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.548 5.331 1.560 1.00 0.00 H new ATOM 286 N ILE A 19 -7.306 5.875 -2.844 1.00 0.00 N ATOM 287 CA ILE A 19 -5.892 5.792 -3.317 1.00 0.00 C ATOM 288 C ILE A 19 -4.937 5.718 -2.122 1.00 0.00 C ATOM 289 O ILE A 19 -4.460 6.724 -1.633 1.00 0.00 O ATOM 290 CB ILE A 19 -5.665 7.081 -4.111 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.277 6.931 -5.506 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.163 7.347 -4.244 1.00 0.00 C ATOM 293 CD1 ILE A 19 -5.618 5.755 -6.227 1.00 0.00 C ATOM 0 H ILE A 19 -7.589 6.783 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.709 4.904 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.136 7.914 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.352 6.767 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.135 7.848 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.005 8.265 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.723 7.451 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.691 6.514 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.053 5.647 -7.221 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.547 5.938 -6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.783 4.840 -5.658 1.00 0.00 H new ATOM 305 N ARG A 20 -4.649 4.536 -1.653 1.00 0.00 N ATOM 306 CA ARG A 20 -3.719 4.402 -0.497 1.00 0.00 C ATOM 307 C ARG A 20 -2.275 4.304 -0.997 1.00 0.00 C ATOM 308 O ARG A 20 -2.017 4.344 -2.184 1.00 0.00 O ATOM 309 CB ARG A 20 -4.139 3.111 0.204 1.00 0.00 C ATOM 310 CG ARG A 20 -5.471 3.338 0.923 1.00 0.00 C ATOM 311 CD ARG A 20 -5.251 4.254 2.130 1.00 0.00 C ATOM 312 NE ARG A 20 -6.580 4.874 2.391 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.200 4.637 3.515 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.531 4.601 4.635 1.00 0.00 N ATOM 315 NH2 ARG A 20 -8.491 4.441 3.518 1.00 0.00 N ATOM 0 H ARG A 20 -5.017 3.658 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.765 5.258 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.237 2.304 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.374 2.806 0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.193 3.786 0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.888 2.385 1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.902 3.690 2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.497 5.012 1.918 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.005 5.483 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.523 4.758 4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.016 4.416 5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.014 4.473 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.977 4.256 4.396 1.00 0.00 H new ATOM 329 N TYR A 21 -1.331 4.182 -0.104 1.00 0.00 N ATOM 330 CA TYR A 21 0.094 4.091 -0.538 1.00 0.00 C ATOM 331 C TYR A 21 0.650 2.691 -0.278 1.00 0.00 C ATOM 332 O TYR A 21 0.206 1.988 0.607 1.00 0.00 O ATOM 333 CB TYR A 21 0.837 5.114 0.320 1.00 0.00 C ATOM 334 CG TYR A 21 0.564 6.505 -0.195 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.533 7.225 0.289 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.411 7.076 -1.152 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.787 8.516 -0.184 1.00 0.00 C ATOM 338 CE2 TYR A 21 1.158 8.368 -1.626 1.00 0.00 C ATOM 339 CZ TYR A 21 0.058 9.088 -1.143 1.00 0.00 C ATOM 340 OH TYR A 21 -0.193 10.361 -1.612 1.00 0.00 O ATOM 0 H TYR A 21 -1.483 4.141 0.904 1.00 0.00 H new ATOM 0 HA TYR A 21 0.203 4.284 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.518 5.032 1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.908 4.912 0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.184 6.783 1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.259 6.520 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.634 9.072 0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.811 8.810 -2.364 1.00 0.00 H new ATOM 0 HH TYR A 21 0.489 10.607 -2.272 1.00 0.00 H new ATOM 350 N PHE A 22 1.636 2.294 -1.036 1.00 0.00 N ATOM 351 CA PHE A 22 2.250 0.951 -0.833 1.00 0.00 C ATOM 352 C PHE A 22 3.705 0.980 -1.305 1.00 0.00 C ATOM 353 O PHE A 22 4.111 1.858 -2.038 1.00 0.00 O ATOM 354 CB PHE A 22 1.410 -0.015 -1.675 1.00 0.00 C ATOM 355 CG PHE A 22 1.858 0.017 -3.117 1.00 0.00 C ATOM 356 CD1 PHE A 22 2.869 -0.848 -3.550 1.00 0.00 C ATOM 357 CD2 PHE A 22 1.264 0.911 -4.017 1.00 0.00 C ATOM 358 CE1 PHE A 22 3.288 -0.823 -4.886 1.00 0.00 C ATOM 359 CE2 PHE A 22 1.683 0.938 -5.354 1.00 0.00 C ATOM 360 CZ PHE A 22 2.697 0.070 -5.787 1.00 0.00 C ATOM 0 H PHE A 22 2.044 2.845 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 22 2.260 0.646 0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.504 -1.027 -1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.356 0.257 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.326 -1.535 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.484 1.578 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.067 -1.492 -5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.226 1.626 -6.050 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.022 0.091 -6.817 1.00 0.00 H new ATOM 370 N TYR A 23 4.494 0.036 -0.887 1.00 0.00 N ATOM 371 CA TYR A 23 5.929 0.029 -1.307 1.00 0.00 C ATOM 372 C TYR A 23 6.128 -0.825 -2.568 1.00 0.00 C ATOM 373 O TYR A 23 5.946 -2.026 -2.548 1.00 0.00 O ATOM 374 CB TYR A 23 6.688 -0.589 -0.133 1.00 0.00 C ATOM 375 CG TYR A 23 8.164 -0.572 -0.449 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.861 0.644 -0.478 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.831 -1.768 -0.735 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.226 0.661 -0.790 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.195 -1.751 -1.051 1.00 0.00 C ATOM 380 CZ TYR A 23 10.893 -0.536 -1.079 1.00 0.00 C ATOM 381 OH TYR A 23 12.237 -0.522 -1.391 1.00 0.00 O ATOM 0 H TYR A 23 4.215 -0.731 -0.275 1.00 0.00 H new ATOM 0 HA TYR A 23 6.279 1.033 -1.546 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.491 -0.029 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.350 -1.611 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.345 1.567 -0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.294 -2.705 -0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.764 1.597 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.709 -2.674 -1.273 1.00 0.00 H new ATOM 0 HH TYR A 23 12.542 -1.437 -1.563 1.00 0.00 H new ATOM 391 N ASN A 24 6.520 -0.217 -3.657 1.00 0.00 N ATOM 392 CA ASN A 24 6.747 -0.999 -4.909 1.00 0.00 C ATOM 393 C ASN A 24 8.205 -1.471 -4.976 1.00 0.00 C ATOM 394 O ASN A 24 9.086 -0.727 -5.360 1.00 0.00 O ATOM 395 CB ASN A 24 6.463 -0.020 -6.047 1.00 0.00 C ATOM 396 CG ASN A 24 6.295 -0.796 -7.355 1.00 0.00 C ATOM 397 OD1 ASN A 24 6.339 -2.009 -7.364 1.00 0.00 O ATOM 398 ND2 ASN A 24 6.105 -0.142 -8.468 1.00 0.00 N ATOM 0 H ASN A 24 6.693 0.785 -3.734 1.00 0.00 H new ATOM 0 HA ASN A 24 6.114 -1.885 -4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.560 0.552 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.280 0.696 -6.138 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.993 -0.650 -9.345 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.068 0.877 -8.461 1.00 0.00 H new ATOM 405 N ALA A 25 8.470 -2.694 -4.606 1.00 0.00 N ATOM 406 CA ALA A 25 9.875 -3.191 -4.655 1.00 0.00 C ATOM 407 C ALA A 25 10.475 -2.944 -6.039 1.00 0.00 C ATOM 408 O ALA A 25 11.677 -2.919 -6.211 1.00 0.00 O ATOM 409 CB ALA A 25 9.783 -4.689 -4.364 1.00 0.00 C ATOM 0 H ALA A 25 7.780 -3.367 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 25 10.517 -2.681 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.782 -5.125 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.339 -4.842 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.163 -5.169 -5.121 1.00 0.00 H new ATOM 415 N LYS A 26 9.647 -2.754 -7.029 1.00 0.00 N ATOM 416 CA LYS A 26 10.175 -2.500 -8.398 1.00 0.00 C ATOM 417 C LYS A 26 10.441 -1.004 -8.587 1.00 0.00 C ATOM 418 O LYS A 26 11.176 -0.600 -9.467 1.00 0.00 O ATOM 419 CB LYS A 26 9.074 -2.976 -9.347 1.00 0.00 C ATOM 420 CG LYS A 26 8.826 -4.471 -9.135 1.00 0.00 C ATOM 421 CD LYS A 26 8.960 -5.205 -10.470 1.00 0.00 C ATOM 422 CE LYS A 26 7.692 -6.020 -10.731 1.00 0.00 C ATOM 423 NZ LYS A 26 8.161 -7.428 -10.860 1.00 0.00 N ATOM 0 H LYS A 26 8.630 -2.764 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 26 11.117 -3.018 -8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.157 -2.416 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.364 -2.788 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.540 -4.870 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.831 -4.630 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.118 -4.489 -11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.830 -5.861 -10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.979 -5.914 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.188 -5.687 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.347 -8.050 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.833 -7.499 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.631 -7.720 -9.979 1.00 0.00 H new ATOM 437 N ALA A 27 9.848 -0.178 -7.767 1.00 0.00 N ATOM 438 CA ALA A 27 10.069 1.293 -7.901 1.00 0.00 C ATOM 439 C ALA A 27 11.162 1.756 -6.929 1.00 0.00 C ATOM 440 O ALA A 27 11.878 2.703 -7.193 1.00 0.00 O ATOM 441 CB ALA A 27 8.727 1.932 -7.545 1.00 0.00 C ATOM 0 H ALA A 27 9.222 -0.456 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 27 10.397 1.571 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.809 3.016 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.961 1.577 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.453 1.659 -6.526 1.00 0.00 H new ATOM 447 N GLY A 28 11.300 1.093 -5.813 1.00 0.00 N ATOM 448 CA GLY A 28 12.351 1.496 -4.834 1.00 0.00 C ATOM 449 C GLY A 28 11.751 2.445 -3.793 1.00 0.00 C ATOM 450 O GLY A 28 12.398 2.816 -2.832 1.00 0.00 O ATOM 0 H GLY A 28 10.732 0.292 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.761 0.614 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.176 1.984 -5.352 1.00 0.00 H new ATOM 454 N LEU A 29 10.518 2.837 -3.968 1.00 0.00 N ATOM 455 CA LEU A 29 9.875 3.750 -2.986 1.00 0.00 C ATOM 456 C LEU A 29 8.404 3.363 -2.810 1.00 0.00 C ATOM 457 O LEU A 29 8.050 2.202 -2.861 1.00 0.00 O ATOM 458 CB LEU A 29 10.011 5.153 -3.585 1.00 0.00 C ATOM 459 CG LEU A 29 9.296 5.215 -4.937 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.453 6.491 -5.006 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.334 5.235 -6.061 1.00 0.00 C ATOM 0 H LEU A 29 9.928 2.562 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 29 10.338 3.698 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.585 5.891 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.064 5.404 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 29 8.652 4.343 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.942 6.538 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.715 6.484 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.100 7.361 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.826 5.279 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.975 6.109 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.941 4.331 -6.012 1.00 0.00 H new ATOM 473 N CYS A 30 7.548 4.322 -2.604 1.00 0.00 N ATOM 474 CA CYS A 30 6.102 4.002 -2.416 1.00 0.00 C ATOM 475 C CYS A 30 5.244 4.709 -3.466 1.00 0.00 C ATOM 476 O CYS A 30 5.574 5.776 -3.941 1.00 0.00 O ATOM 477 CB CYS A 30 5.761 4.523 -1.023 1.00 0.00 C ATOM 478 SG CYS A 30 6.545 3.472 0.222 1.00 0.00 S ATOM 0 H CYS A 30 7.784 5.313 -2.557 1.00 0.00 H new ATOM 0 HA CYS A 30 5.909 2.934 -2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.104 5.552 -0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.680 4.530 -0.880 1.00 0.00 H new ATOM 483 N GLN A 31 4.138 4.122 -3.818 1.00 0.00 N ATOM 484 CA GLN A 31 3.245 4.754 -4.827 1.00 0.00 C ATOM 485 C GLN A 31 1.787 4.601 -4.391 1.00 0.00 C ATOM 486 O GLN A 31 1.500 4.038 -3.353 1.00 0.00 O ATOM 487 CB GLN A 31 3.520 3.994 -6.123 1.00 0.00 C ATOM 488 CG GLN A 31 5.010 4.108 -6.457 1.00 0.00 C ATOM 489 CD GLN A 31 5.215 3.967 -7.966 1.00 0.00 C ATOM 490 OE1 GLN A 31 4.297 3.630 -8.686 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.390 4.217 -8.480 1.00 0.00 N ATOM 0 H GLN A 31 3.812 3.229 -3.450 1.00 0.00 H new ATOM 0 HA GLN A 31 3.426 5.822 -4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.237 2.947 -6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.919 4.403 -6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.396 5.069 -6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.570 3.335 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.161 4.500 -7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.536 4.129 -9.486 1.00 0.00 H new ATOM 500 N THR A 32 0.861 5.105 -5.157 1.00 0.00 N ATOM 501 CA THR A 32 -0.567 4.989 -4.753 1.00 0.00 C ATOM 502 C THR A 32 -1.256 3.838 -5.486 1.00 0.00 C ATOM 503 O THR A 32 -0.997 3.577 -6.644 1.00 0.00 O ATOM 504 CB THR A 32 -1.201 6.324 -5.150 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.577 6.810 -6.332 1.00 0.00 O ATOM 506 CG2 THR A 32 -1.016 7.336 -4.021 1.00 0.00 C ATOM 0 H THR A 32 1.029 5.589 -6.039 1.00 0.00 H new ATOM 0 HA THR A 32 -0.666 4.781 -3.688 1.00 0.00 H new ATOM 0 HB THR A 32 -2.266 6.180 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.983 7.664 -6.589 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.468 8.286 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.495 6.963 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.048 7.482 -3.834 1.00 0.00 H new ATOM 514 N PHE A 33 -2.156 3.168 -4.819 1.00 0.00 N ATOM 515 CA PHE A 33 -2.898 2.051 -5.469 1.00 0.00 C ATOM 516 C PHE A 33 -4.379 2.146 -5.094 1.00 0.00 C ATOM 517 O PHE A 33 -4.741 2.776 -4.121 1.00 0.00 O ATOM 518 CB PHE A 33 -2.269 0.757 -4.944 1.00 0.00 C ATOM 519 CG PHE A 33 -2.734 0.459 -3.534 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.069 1.025 -2.438 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.819 -0.403 -3.323 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.491 0.733 -1.134 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.237 -0.697 -2.019 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.575 -0.129 -0.925 1.00 0.00 C ATOM 0 H PHE A 33 -2.410 3.347 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.835 2.086 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.533 -0.072 -5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.183 0.844 -4.961 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.231 1.687 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.333 -0.841 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.980 1.173 -0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.072 -1.363 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.900 -0.355 0.080 1.00 0.00 H new ATOM 534 N VAL A 34 -5.236 1.548 -5.869 1.00 0.00 N ATOM 535 CA VAL A 34 -6.697 1.629 -5.564 1.00 0.00 C ATOM 536 C VAL A 34 -7.064 0.722 -4.389 1.00 0.00 C ATOM 537 O VAL A 34 -7.238 -0.469 -4.541 1.00 0.00 O ATOM 538 CB VAL A 34 -7.400 1.161 -6.839 1.00 0.00 C ATOM 539 CG1 VAL A 34 -8.914 1.211 -6.632 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.016 2.082 -7.999 1.00 0.00 C ATOM 0 H VAL A 34 -4.994 1.007 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.991 2.639 -5.279 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.096 0.140 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.417 0.878 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.190 0.558 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.217 2.233 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.516 1.750 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.321 3.103 -7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.936 2.051 -8.147 1.00 0.00 H new ATOM 550 N TYR A 35 -7.195 1.279 -3.217 1.00 0.00 N ATOM 551 CA TYR A 35 -7.557 0.445 -2.035 1.00 0.00 C ATOM 552 C TYR A 35 -9.063 0.145 -2.038 1.00 0.00 C ATOM 553 O TYR A 35 -9.867 0.986 -2.387 1.00 0.00 O ATOM 554 CB TYR A 35 -7.183 1.296 -0.822 1.00 0.00 C ATOM 555 CG TYR A 35 -7.626 0.590 0.435 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.615 -0.809 0.489 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.054 1.330 1.543 1.00 0.00 C ATOM 558 CE1 TYR A 35 -8.033 -1.467 1.650 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.470 0.671 2.706 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.461 -0.727 2.759 1.00 0.00 C ATOM 561 OH TYR A 35 -8.873 -1.376 3.904 1.00 0.00 O ATOM 0 H TYR A 35 -7.068 2.273 -3.026 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.042 -0.516 -2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.106 1.464 -0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.657 2.275 -0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.284 -1.380 -0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.063 2.409 1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.026 -2.546 1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.798 1.242 3.562 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.137 -0.715 4.578 1.00 0.00 H new ATOM 571 N GLY A 36 -9.451 -1.044 -1.659 1.00 0.00 N ATOM 572 CA GLY A 36 -10.904 -1.386 -1.650 1.00 0.00 C ATOM 573 C GLY A 36 -11.539 -0.919 -0.339 1.00 0.00 C ATOM 574 O GLY A 36 -12.698 -1.179 -0.077 1.00 0.00 O ATOM 0 H GLY A 36 -8.827 -1.791 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.403 -0.913 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.034 -2.462 -1.765 1.00 0.00 H new ATOM 578 N ALA A 37 -10.793 -0.227 0.484 1.00 0.00 N ATOM 579 CA ALA A 37 -11.349 0.268 1.782 1.00 0.00 C ATOM 580 C ALA A 37 -11.502 -0.880 2.788 1.00 0.00 C ATOM 581 O ALA A 37 -11.949 -0.678 3.900 1.00 0.00 O ATOM 582 CB ALA A 37 -12.717 0.869 1.443 1.00 0.00 C ATOM 0 H ALA A 37 -9.818 0.018 0.313 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.687 1.000 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.182 1.252 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.590 1.683 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.354 0.100 1.006 1.00 0.00 H new ATOM 588 N CYS A 38 -11.139 -2.081 2.419 1.00 0.00 N ATOM 589 CA CYS A 38 -11.277 -3.220 3.378 1.00 0.00 C ATOM 590 C CYS A 38 -10.188 -4.272 3.138 1.00 0.00 C ATOM 591 O CYS A 38 -9.398 -4.168 2.221 1.00 0.00 O ATOM 592 CB CYS A 38 -12.658 -3.810 3.098 1.00 0.00 C ATOM 593 SG CYS A 38 -12.810 -4.171 1.332 1.00 0.00 S ATOM 0 H CYS A 38 -10.757 -2.322 1.505 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.170 -2.892 4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.802 -4.720 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.434 -3.109 3.405 1.00 0.00 H new ATOM 598 N ARG A 39 -10.146 -5.285 3.964 1.00 0.00 N ATOM 599 CA ARG A 39 -9.117 -6.353 3.800 1.00 0.00 C ATOM 600 C ARG A 39 -7.761 -5.737 3.450 1.00 0.00 C ATOM 601 O ARG A 39 -7.061 -6.209 2.576 1.00 0.00 O ATOM 602 CB ARG A 39 -9.622 -7.222 2.647 1.00 0.00 C ATOM 603 CG ARG A 39 -9.730 -8.676 3.113 1.00 0.00 C ATOM 604 CD ARG A 39 -11.159 -9.180 2.892 1.00 0.00 C ATOM 605 NE ARG A 39 -11.472 -9.993 4.100 1.00 0.00 N ATOM 606 CZ ARG A 39 -12.199 -9.485 5.058 1.00 0.00 C ATOM 607 NH1 ARG A 39 -13.408 -9.063 4.806 1.00 0.00 N ATOM 608 NH2 ARG A 39 -11.717 -9.400 6.266 1.00 0.00 N ATOM 0 H ARG A 39 -10.784 -5.418 4.749 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.977 -6.930 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.594 -6.865 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.942 -7.150 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.025 -9.298 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.466 -8.751 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.858 -8.350 2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.230 -9.779 1.984 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.118 -10.947 4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.785 -9.130 3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.976 -8.666 5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.772 -9.730 6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.285 -9.003 7.015 1.00 0.00 H new ATOM 622 N ALA A 40 -7.381 -4.689 4.128 1.00 0.00 N ATOM 623 CA ALA A 40 -6.068 -4.049 3.828 1.00 0.00 C ATOM 624 C ALA A 40 -4.938 -4.779 4.557 1.00 0.00 C ATOM 625 O ALA A 40 -5.058 -5.132 5.713 1.00 0.00 O ATOM 626 CB ALA A 40 -6.189 -2.618 4.346 1.00 0.00 C ATOM 0 H ALA A 40 -7.920 -4.249 4.874 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.836 -4.082 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.257 -2.084 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.006 -2.113 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.390 -2.635 5.417 1.00 0.00 H new ATOM 632 N LYS A 41 -3.841 -4.999 3.889 1.00 0.00 N ATOM 633 CA LYS A 41 -2.693 -5.694 4.541 1.00 0.00 C ATOM 634 C LYS A 41 -1.622 -4.667 4.915 1.00 0.00 C ATOM 635 O LYS A 41 -1.873 -3.479 4.929 1.00 0.00 O ATOM 636 CB LYS A 41 -2.154 -6.665 3.488 1.00 0.00 C ATOM 637 CG LYS A 41 -3.250 -7.654 3.084 1.00 0.00 C ATOM 638 CD LYS A 41 -3.060 -8.051 1.618 1.00 0.00 C ATOM 639 CE LYS A 41 -2.858 -9.566 1.516 1.00 0.00 C ATOM 640 NZ LYS A 41 -3.773 -10.003 0.423 1.00 0.00 N ATOM 0 H LYS A 41 -3.688 -4.728 2.918 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.986 -6.214 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.810 -6.113 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.293 -7.204 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.210 -8.538 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.232 -7.203 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.930 -7.750 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.199 -7.530 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.821 -9.812 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.101 -10.061 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.313 -10.749 -0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.654 -10.372 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.991 -9.193 -0.192 1.00 0.00 H new ATOM 654 N ARG A 42 -0.428 -5.106 5.206 1.00 0.00 N ATOM 655 CA ARG A 42 0.646 -4.133 5.564 1.00 0.00 C ATOM 656 C ARG A 42 1.042 -3.326 4.325 1.00 0.00 C ATOM 657 O ARG A 42 1.698 -2.307 4.416 1.00 0.00 O ATOM 658 CB ARG A 42 1.826 -4.976 6.057 1.00 0.00 C ATOM 659 CG ARG A 42 1.319 -6.129 6.927 1.00 0.00 C ATOM 660 CD ARG A 42 2.365 -6.460 7.995 1.00 0.00 C ATOM 661 NE ARG A 42 2.738 -7.881 7.745 1.00 0.00 N ATOM 662 CZ ARG A 42 2.426 -8.801 8.617 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.175 -9.046 8.891 1.00 0.00 N ATOM 664 NH2 ARG A 42 3.368 -9.481 9.215 1.00 0.00 N ATOM 0 H ARG A 42 -0.150 -6.087 5.212 1.00 0.00 H new ATOM 0 HA ARG A 42 0.321 -3.425 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.383 -5.369 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.514 -4.354 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.376 -5.855 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.124 -7.006 6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.232 -5.805 7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.959 -6.329 8.998 1.00 0.00 H new ATOM 0 HE ARG A 42 3.237 -8.135 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.438 -8.518 8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.934 -9.765 9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.347 -9.293 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.124 -10.200 9.896 1.00 0.00 H new ATOM 678 N ASN A 43 0.639 -3.773 3.165 1.00 0.00 N ATOM 679 CA ASN A 43 0.980 -3.031 1.916 1.00 0.00 C ATOM 680 C ASN A 43 -0.168 -2.085 1.553 1.00 0.00 C ATOM 681 O ASN A 43 -0.715 -2.135 0.469 1.00 0.00 O ATOM 682 CB ASN A 43 1.146 -4.109 0.843 1.00 0.00 C ATOM 683 CG ASN A 43 2.071 -3.589 -0.259 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.612 -3.119 -1.282 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.364 -3.657 -0.094 1.00 0.00 N ATOM 0 H ASN A 43 0.088 -4.620 3.028 1.00 0.00 H new ATOM 0 HA ASN A 43 1.881 -2.426 2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.561 -5.016 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.175 -4.373 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.990 -3.316 -0.824 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.749 -4.051 0.764 1.00 0.00 H new ATOM 692 N ASN A 44 -0.542 -1.232 2.464 1.00 0.00 N ATOM 693 CA ASN A 44 -1.662 -0.281 2.201 1.00 0.00 C ATOM 694 C ASN A 44 -1.573 0.881 3.195 1.00 0.00 C ATOM 695 O ASN A 44 -2.255 0.906 4.200 1.00 0.00 O ATOM 696 CB ASN A 44 -2.926 -1.112 2.438 1.00 0.00 C ATOM 697 CG ASN A 44 -4.168 -0.217 2.407 1.00 0.00 C ATOM 698 OD1 ASN A 44 -4.081 0.973 2.622 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.330 -0.755 2.146 1.00 0.00 N ATOM 0 H ASN A 44 -0.117 -1.151 3.388 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.645 0.149 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.009 -1.886 1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.860 -1.620 3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.168 -0.173 2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.399 -1.757 1.966 1.00 0.00 H new ATOM 706 N PHE A 45 -0.717 1.832 2.932 1.00 0.00 N ATOM 707 CA PHE A 45 -0.560 2.979 3.875 1.00 0.00 C ATOM 708 C PHE A 45 -1.483 4.138 3.483 1.00 0.00 C ATOM 709 O PHE A 45 -1.845 4.299 2.334 1.00 0.00 O ATOM 710 CB PHE A 45 0.913 3.390 3.753 1.00 0.00 C ATOM 711 CG PHE A 45 1.786 2.152 3.768 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.106 1.531 4.984 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.269 1.619 2.565 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.907 0.379 4.996 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.068 0.465 2.576 1.00 0.00 C ATOM 716 CZ PHE A 45 3.387 -0.154 3.791 1.00 0.00 C ATOM 0 H PHE A 45 -0.120 1.865 2.106 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.827 2.709 4.897 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.071 3.948 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.187 4.051 4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.735 1.940 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.026 2.097 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.154 -0.097 5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.437 0.055 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.002 -1.041 3.800 1.00 0.00 H new ATOM 726 N LYS A 46 -1.865 4.944 4.437 1.00 0.00 N ATOM 727 CA LYS A 46 -2.765 6.095 4.137 1.00 0.00 C ATOM 728 C LYS A 46 -1.964 7.244 3.519 1.00 0.00 C ATOM 729 O LYS A 46 -2.499 8.089 2.828 1.00 0.00 O ATOM 730 CB LYS A 46 -3.339 6.504 5.496 1.00 0.00 C ATOM 731 CG LYS A 46 -3.923 7.917 5.414 1.00 0.00 C ATOM 732 CD LYS A 46 -3.112 8.858 6.310 1.00 0.00 C ATOM 733 CE LYS A 46 -3.866 9.095 7.622 1.00 0.00 C ATOM 734 NZ LYS A 46 -3.108 8.325 8.648 1.00 0.00 N ATOM 0 H LYS A 46 -1.591 4.854 5.415 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.548 5.839 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.113 5.799 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.558 6.468 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.902 8.271 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.967 7.909 5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.132 8.427 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.943 9.806 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.901 10.156 7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.898 8.750 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.565 8.439 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.097 7.318 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.132 8.680 8.697 1.00 0.00 H new ATOM 748 N SER A 47 -0.682 7.281 3.764 1.00 0.00 N ATOM 749 CA SER A 47 0.156 8.376 3.193 1.00 0.00 C ATOM 750 C SER A 47 1.526 7.836 2.782 1.00 0.00 C ATOM 751 O SER A 47 1.947 6.783 3.220 1.00 0.00 O ATOM 752 CB SER A 47 0.301 9.393 4.323 1.00 0.00 C ATOM 753 OG SER A 47 1.104 8.838 5.355 1.00 0.00 O ATOM 0 H SER A 47 -0.179 6.601 4.334 1.00 0.00 H new ATOM 0 HA SER A 47 -0.292 8.815 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.755 10.310 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.680 9.661 4.715 1.00 0.00 H new ATOM 0 HG SER A 47 1.200 9.489 6.081 1.00 0.00 H new ATOM 759 N ALA A 48 2.227 8.550 1.946 1.00 0.00 N ATOM 760 CA ALA A 48 3.571 8.077 1.509 1.00 0.00 C ATOM 761 C ALA A 48 4.545 8.118 2.691 1.00 0.00 C ATOM 762 O ALA A 48 5.555 7.443 2.700 1.00 0.00 O ATOM 763 CB ALA A 48 4.006 9.059 0.420 1.00 0.00 C ATOM 0 H ALA A 48 1.928 9.440 1.547 1.00 0.00 H new ATOM 0 HA ALA A 48 3.552 7.051 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.990 8.776 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.287 9.036 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.051 10.066 0.835 1.00 0.00 H new ATOM 769 N GLU A 49 4.243 8.904 3.689 1.00 0.00 N ATOM 770 CA GLU A 49 5.146 8.991 4.873 1.00 0.00 C ATOM 771 C GLU A 49 5.019 7.727 5.728 1.00 0.00 C ATOM 772 O GLU A 49 5.943 7.336 6.413 1.00 0.00 O ATOM 773 CB GLU A 49 4.665 10.217 5.648 1.00 0.00 C ATOM 774 CG GLU A 49 5.679 11.351 5.491 1.00 0.00 C ATOM 775 CD GLU A 49 6.415 11.561 6.815 1.00 0.00 C ATOM 776 OE1 GLU A 49 5.767 11.505 7.848 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.616 11.775 6.775 1.00 0.00 O ATOM 0 H GLU A 49 3.409 9.490 3.736 1.00 0.00 H new ATOM 0 HA GLU A 49 6.195 9.076 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.689 10.534 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.542 9.969 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.390 11.111 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.172 12.269 5.195 1.00 0.00 H new ATOM 784 N ASP A 50 3.886 7.078 5.686 1.00 0.00 N ATOM 785 CA ASP A 50 3.711 5.835 6.491 1.00 0.00 C ATOM 786 C ASP A 50 4.328 4.655 5.741 1.00 0.00 C ATOM 787 O ASP A 50 4.822 3.715 6.331 1.00 0.00 O ATOM 788 CB ASP A 50 2.199 5.651 6.629 1.00 0.00 C ATOM 789 CG ASP A 50 1.669 6.568 7.734 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.327 7.554 8.025 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.615 6.270 8.269 1.00 0.00 O ATOM 0 H ASP A 50 3.076 7.354 5.131 1.00 0.00 H new ATOM 0 HA ASP A 50 4.196 5.896 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.707 5.881 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.969 4.612 6.863 1.00 0.00 H new ATOM 796 N CYS A 51 4.310 4.711 4.438 1.00 0.00 N ATOM 797 CA CYS A 51 4.900 3.609 3.628 1.00 0.00 C ATOM 798 C CYS A 51 6.423 3.752 3.598 1.00 0.00 C ATOM 799 O CYS A 51 7.152 2.794 3.762 1.00 0.00 O ATOM 800 CB CYS A 51 4.319 3.805 2.229 1.00 0.00 C ATOM 801 SG CYS A 51 4.994 2.546 1.122 1.00 0.00 S ATOM 0 H CYS A 51 3.910 5.477 3.897 1.00 0.00 H new ATOM 0 HA CYS A 51 4.675 2.621 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.232 3.733 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.562 4.801 1.858 1.00 0.00 H new ATOM 806 N MET A 52 6.908 4.947 3.388 1.00 0.00 N ATOM 807 CA MET A 52 8.384 5.159 3.346 1.00 0.00 C ATOM 808 C MET A 52 8.997 4.899 4.724 1.00 0.00 C ATOM 809 O MET A 52 9.991 4.213 4.852 1.00 0.00 O ATOM 810 CB MET A 52 8.563 6.624 2.949 1.00 0.00 C ATOM 811 CG MET A 52 8.448 6.755 1.429 1.00 0.00 C ATOM 812 SD MET A 52 9.732 7.875 0.821 1.00 0.00 S ATOM 813 CE MET A 52 10.478 6.728 -0.364 1.00 0.00 C ATOM 0 H MET A 52 6.345 5.786 3.244 1.00 0.00 H new ATOM 0 HA MET A 52 8.877 4.483 2.647 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.807 7.240 3.437 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.535 6.987 3.284 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.552 5.777 0.960 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.462 7.134 1.160 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.805 7.278 -1.247 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.336 6.237 0.096 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.743 5.977 -0.656 1.00 0.00 H new ATOM 823 N ARG A 53 8.408 5.439 5.756 1.00 0.00 N ATOM 824 CA ARG A 53 8.957 5.219 7.126 1.00 0.00 C ATOM 825 C ARG A 53 8.878 3.734 7.491 1.00 0.00 C ATOM 826 O ARG A 53 9.683 3.226 8.247 1.00 0.00 O ATOM 827 CB ARG A 53 8.063 6.049 8.048 1.00 0.00 C ATOM 828 CG ARG A 53 8.450 5.792 9.505 1.00 0.00 C ATOM 829 CD ARG A 53 8.140 7.034 10.343 1.00 0.00 C ATOM 830 NE ARG A 53 6.653 7.133 10.347 1.00 0.00 N ATOM 831 CZ ARG A 53 6.044 7.767 11.312 1.00 0.00 C ATOM 832 NH1 ARG A 53 6.076 7.291 12.526 1.00 0.00 N ATOM 833 NH2 ARG A 53 5.402 8.875 11.061 1.00 0.00 N ATOM 0 H ARG A 53 7.572 6.022 5.711 1.00 0.00 H new ATOM 0 HA ARG A 53 10.004 5.511 7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.167 7.109 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.017 5.789 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.901 4.933 9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.511 5.550 9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.532 6.935 11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.594 7.926 9.911 1.00 0.00 H new ATOM 0 HE ARG A 53 6.111 6.705 9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.577 6.424 12.721 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.600 7.786 13.281 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.376 9.245 10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.926 9.371 11.815 1.00 0.00 H new ATOM 847 N THR A 54 7.916 3.034 6.958 1.00 0.00 N ATOM 848 CA THR A 54 7.786 1.582 7.273 1.00 0.00 C ATOM 849 C THR A 54 8.876 0.787 6.551 1.00 0.00 C ATOM 850 O THR A 54 9.571 -0.014 7.146 1.00 0.00 O ATOM 851 CB THR A 54 6.402 1.188 6.755 1.00 0.00 C ATOM 852 OG1 THR A 54 5.408 1.687 7.638 1.00 0.00 O ATOM 853 CG2 THR A 54 6.300 -0.338 6.676 1.00 0.00 C ATOM 0 H THR A 54 7.213 3.404 6.318 1.00 0.00 H new ATOM 0 HA THR A 54 7.896 1.377 8.338 1.00 0.00 H new ATOM 0 HB THR A 54 6.251 1.611 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.738 2.187 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.313 -0.618 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.063 -0.719 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.451 -0.765 7.668 1.00 0.00 H new ATOM 861 N CYS A 55 9.030 0.997 5.272 1.00 0.00 N ATOM 862 CA CYS A 55 10.074 0.247 4.513 1.00 0.00 C ATOM 863 C CYS A 55 11.093 1.214 3.903 1.00 0.00 C ATOM 864 O CYS A 55 12.283 0.971 3.928 1.00 0.00 O ATOM 865 CB CYS A 55 9.311 -0.485 3.410 1.00 0.00 C ATOM 866 SG CYS A 55 8.174 -1.678 4.157 1.00 0.00 S ATOM 0 H CYS A 55 8.479 1.654 4.719 1.00 0.00 H new ATOM 0 HA CYS A 55 10.632 -0.437 5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.758 0.229 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.009 -0.997 2.747 1.00 0.00 H new ATOM 871 N GLY A 56 10.636 2.305 3.352 1.00 0.00 N ATOM 872 CA GLY A 56 11.583 3.278 2.737 1.00 0.00 C ATOM 873 C GLY A 56 12.053 2.740 1.384 1.00 0.00 C ATOM 874 O GLY A 56 11.619 3.191 0.342 1.00 0.00 O ATOM 0 H GLY A 56 9.651 2.564 3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.096 4.245 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.437 3.437 3.395 1.00 0.00 H new ATOM 878 N GLY A 57 12.934 1.777 1.392 1.00 0.00 N ATOM 879 CA GLY A 57 13.428 1.207 0.106 1.00 0.00 C ATOM 880 C GLY A 57 14.764 1.851 -0.267 1.00 0.00 C ATOM 881 O GLY A 57 15.448 2.414 0.566 1.00 0.00 O ATOM 0 H GLY A 57 13.333 1.360 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.547 0.127 0.198 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.697 1.381 -0.684 1.00 0.00 H new ATOM 885 N ALA A 58 15.141 1.774 -1.513 1.00 0.00 N ATOM 886 CA ALA A 58 16.434 2.381 -1.941 1.00 0.00 C ATOM 887 C ALA A 58 17.594 1.766 -1.155 1.00 0.00 C ATOM 888 O ALA A 58 17.739 2.100 0.009 1.00 0.00 O ATOM 889 CB ALA A 58 16.294 3.869 -1.618 1.00 0.00 C ATOM 890 OXT ALA A 58 18.319 0.971 -1.731 1.00 0.00 O ATOM 0 H ALA A 58 14.610 1.317 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 58 16.643 2.210 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.207 4.391 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.451 4.284 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.124 3.995 -0.549 1.00 0.00 H new TER 896 ALA A 58