USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -4:sc= -2.51 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 34:sc= 0.278 USER MOD Single : A 17 GLN : amide:sc= -0.0687 K(o=-0.069,f=-1.5!) USER MOD Single : A 20 GLN : amide:sc= -0.496 K(o=-0.5,f=-2.3) USER MOD Single : A 25 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ -115:sc= 1.04 (180deg=-1.35) USER MOD Single : A 35 HIS : no HE2:sc= -7.58 K(o=-7.6,f=-6.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0853) USER MOD Single : A 46 SER OG : rot 180:sc= -0.444 USER MOD Single : A 48 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -116:sc= -0.32 (180deg=-2.03!) USER MOD Single : A 53 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.044) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.02! C(o=-2!,f=-5!) USER MOD Single : A 68 ASN : amide:sc= -1.06 K(o=-1.1,f=-5.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= -0.418 (180deg=-1.85!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.018 -20.623 14.771 1.00 0.00 N ATOM 2 CA GLY A 1 -17.718 -20.152 15.211 1.00 0.00 C ATOM 3 C GLY A 1 -17.437 -18.729 14.770 1.00 0.00 C ATOM 4 O GLY A 1 -18.193 -17.812 15.091 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.162 -21.600 15.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.761 -20.012 15.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.064 -20.595 13.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.663 -20.210 16.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.944 -20.811 14.817 1.00 0.00 H new ATOM 8 N SER A 2 -16.346 -18.544 14.034 1.00 0.00 N ATOM 9 CA SER A 2 -15.964 -17.221 13.554 1.00 0.00 C ATOM 10 C SER A 2 -15.484 -17.286 12.107 1.00 0.00 C ATOM 11 O SER A 2 -14.912 -18.287 11.675 1.00 0.00 O ATOM 12 CB SER A 2 -14.866 -16.630 14.440 1.00 0.00 C ATOM 13 OG SER A 2 -14.801 -15.221 14.301 1.00 0.00 O ATOM 0 H SER A 2 -15.711 -19.293 13.757 1.00 0.00 H new ATOM 0 HA SER A 2 -16.843 -16.578 13.600 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.057 -16.887 15.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.904 -17.069 14.175 1.00 0.00 H new ATOM 0 HG SER A 2 -14.093 -14.868 14.879 1.00 0.00 H new ATOM 19 N SER A 3 -15.723 -16.211 11.362 1.00 0.00 N ATOM 20 CA SER A 3 -15.319 -16.147 9.962 1.00 0.00 C ATOM 21 C SER A 3 -13.839 -15.799 9.839 1.00 0.00 C ATOM 22 O SER A 3 -13.203 -15.390 10.809 1.00 0.00 O ATOM 23 CB SER A 3 -16.162 -15.112 9.214 1.00 0.00 C ATOM 24 OG SER A 3 -17.546 -15.387 9.349 1.00 0.00 O ATOM 0 H SER A 3 -16.194 -15.373 11.704 1.00 0.00 H new ATOM 0 HA SER A 3 -15.481 -17.129 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.947 -14.116 9.600 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.890 -15.111 8.159 1.00 0.00 H new ATOM 0 HG SER A 3 -18.063 -14.710 8.864 1.00 0.00 H new ATOM 30 N GLY A 4 -13.296 -15.966 8.636 1.00 0.00 N ATOM 31 CA GLY A 4 -11.895 -15.666 8.407 1.00 0.00 C ATOM 32 C GLY A 4 -11.587 -14.189 8.553 1.00 0.00 C ATOM 33 O GLY A 4 -12.386 -13.339 8.159 1.00 0.00 O ATOM 0 H GLY A 4 -13.802 -16.304 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.286 -16.232 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.615 -15.995 7.406 1.00 0.00 H new ATOM 37 N SER A 5 -10.426 -13.882 9.122 1.00 0.00 N ATOM 38 CA SER A 5 -10.016 -12.497 9.324 1.00 0.00 C ATOM 39 C SER A 5 -10.259 -11.669 8.066 1.00 0.00 C ATOM 40 O SER A 5 -10.233 -12.191 6.952 1.00 0.00 O ATOM 41 CB SER A 5 -8.539 -12.432 9.715 1.00 0.00 C ATOM 42 OG SER A 5 -8.231 -11.199 10.342 1.00 0.00 O ATOM 0 H SER A 5 -9.752 -14.574 9.451 1.00 0.00 H new ATOM 0 HA SER A 5 -10.617 -12.081 10.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.301 -13.255 10.389 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.919 -12.557 8.827 1.00 0.00 H new ATOM 0 HG SER A 5 -7.281 -11.183 10.584 1.00 0.00 H new ATOM 48 N SER A 6 -10.494 -10.374 8.253 1.00 0.00 N ATOM 49 CA SER A 6 -10.745 -9.474 7.134 1.00 0.00 C ATOM 50 C SER A 6 -9.668 -8.397 7.051 1.00 0.00 C ATOM 51 O SER A 6 -9.255 -7.836 8.066 1.00 0.00 O ATOM 52 CB SER A 6 -12.123 -8.823 7.275 1.00 0.00 C ATOM 53 OG SER A 6 -12.263 -8.193 8.537 1.00 0.00 O ATOM 0 H SER A 6 -10.516 -9.925 9.169 1.00 0.00 H new ATOM 0 HA SER A 6 -10.720 -10.060 6.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.265 -8.090 6.481 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.900 -9.578 7.154 1.00 0.00 H new ATOM 0 HG SER A 6 -13.151 -7.783 8.601 1.00 0.00 H new ATOM 59 N GLY A 7 -9.216 -8.113 5.834 1.00 0.00 N ATOM 60 CA GLY A 7 -8.190 -7.105 5.639 1.00 0.00 C ATOM 61 C GLY A 7 -8.648 -5.979 4.734 1.00 0.00 C ATOM 62 O GLY A 7 -9.375 -6.208 3.766 1.00 0.00 O ATOM 0 H GLY A 7 -9.542 -8.563 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.900 -6.694 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.303 -7.572 5.212 1.00 0.00 H new ATOM 66 N ARG A 8 -8.224 -4.759 5.047 1.00 0.00 N ATOM 67 CA ARG A 8 -8.598 -3.593 4.256 1.00 0.00 C ATOM 68 C ARG A 8 -7.617 -3.378 3.108 1.00 0.00 C ATOM 69 O ARG A 8 -6.503 -3.905 3.121 1.00 0.00 O ATOM 70 CB ARG A 8 -8.647 -2.345 5.140 1.00 0.00 C ATOM 71 CG ARG A 8 -9.625 -2.456 6.297 1.00 0.00 C ATOM 72 CD ARG A 8 -11.029 -2.046 5.881 1.00 0.00 C ATOM 73 NE ARG A 8 -11.948 -2.009 7.016 1.00 0.00 N ATOM 74 CZ ARG A 8 -12.541 -3.087 7.517 1.00 0.00 C ATOM 75 NH1 ARG A 8 -12.312 -4.280 6.986 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.364 -2.972 8.552 1.00 0.00 N ATOM 0 H ARG A 8 -7.621 -4.552 5.843 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.588 -3.772 3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.650 -2.151 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.919 -1.486 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.639 -3.481 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.289 -1.825 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.995 -1.064 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.404 -2.745 5.134 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.145 -1.106 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.679 -4.372 6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.768 -5.106 7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.541 -2.056 8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.819 -3.800 8.936 1.00 0.00 H new ATOM 90 N LEU A 9 -8.037 -2.602 2.115 1.00 0.00 N ATOM 91 CA LEU A 9 -7.195 -2.317 0.958 1.00 0.00 C ATOM 92 C LEU A 9 -6.912 -0.823 0.845 1.00 0.00 C ATOM 93 O LEU A 9 -7.588 -0.004 1.469 1.00 0.00 O ATOM 94 CB LEU A 9 -7.868 -2.818 -0.322 1.00 0.00 C ATOM 95 CG LEU A 9 -7.848 -4.331 -0.542 1.00 0.00 C ATOM 96 CD1 LEU A 9 -6.439 -4.806 -0.860 1.00 0.00 C ATOM 97 CD2 LEU A 9 -8.394 -5.055 0.680 1.00 0.00 C ATOM 0 H LEU A 9 -8.955 -2.159 2.088 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.247 -2.838 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.906 -2.485 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.384 -2.341 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.488 -4.563 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.445 -5.885 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.084 -4.313 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.776 -4.561 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.372 -6.131 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.781 -4.816 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.421 -4.738 0.862 1.00 0.00 H new ATOM 109 N CYS A 10 -5.910 -0.475 0.045 1.00 0.00 N ATOM 110 CA CYS A 10 -5.538 0.922 -0.151 1.00 0.00 C ATOM 111 C CYS A 10 -4.702 1.090 -1.415 1.00 0.00 C ATOM 112 O CYS A 10 -4.091 0.137 -1.900 1.00 0.00 O ATOM 113 CB CYS A 10 -4.761 1.439 1.061 1.00 0.00 C ATOM 114 SG CYS A 10 -3.605 0.240 1.763 1.00 0.00 S ATOM 0 H CYS A 10 -5.341 -1.140 -0.478 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.453 1.504 -0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.209 2.333 0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.470 1.739 1.833 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.725 -0.894 1.140 1.00 0.00 H new ATOM 120 N LYS A 11 -4.680 2.307 -1.947 1.00 0.00 N ATOM 121 CA LYS A 11 -3.920 2.601 -3.156 1.00 0.00 C ATOM 122 C LYS A 11 -2.825 3.626 -2.875 1.00 0.00 C ATOM 123 O LYS A 11 -3.085 4.684 -2.303 1.00 0.00 O ATOM 124 CB LYS A 11 -4.850 3.122 -4.254 1.00 0.00 C ATOM 125 CG LYS A 11 -4.116 3.753 -5.424 1.00 0.00 C ATOM 126 CD LYS A 11 -4.967 3.750 -6.683 1.00 0.00 C ATOM 127 CE LYS A 11 -6.039 4.828 -6.634 1.00 0.00 C ATOM 128 NZ LYS A 11 -6.432 5.282 -7.997 1.00 0.00 N ATOM 0 H LYS A 11 -5.181 3.107 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.451 1.677 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.462 2.298 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.530 3.857 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.841 4.777 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.189 3.210 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.331 3.908 -7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.437 2.774 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.916 4.445 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.673 5.679 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.164 6.017 -7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.601 5.671 -8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.806 4.476 -8.537 1.00 0.00 H new ATOM 142 N ALA A 12 -1.602 3.305 -3.281 1.00 0.00 N ATOM 143 CA ALA A 12 -0.469 4.199 -3.076 1.00 0.00 C ATOM 144 C ALA A 12 -0.534 5.393 -4.022 1.00 0.00 C ATOM 145 O ALA A 12 -0.186 5.287 -5.198 1.00 0.00 O ATOM 146 CB ALA A 12 0.839 3.445 -3.264 1.00 0.00 C ATOM 0 H ALA A 12 -1.370 2.432 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.515 4.575 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.677 4.125 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.895 2.629 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.884 3.040 -4.275 1.00 0.00 H new ATOM 152 N LEU A 13 -0.982 6.530 -3.501 1.00 0.00 N ATOM 153 CA LEU A 13 -1.094 7.746 -4.299 1.00 0.00 C ATOM 154 C LEU A 13 0.282 8.237 -4.739 1.00 0.00 C ATOM 155 O LEU A 13 0.452 8.717 -5.859 1.00 0.00 O ATOM 156 CB LEU A 13 -1.807 8.840 -3.502 1.00 0.00 C ATOM 157 CG LEU A 13 -3.136 8.442 -2.858 1.00 0.00 C ATOM 158 CD1 LEU A 13 -3.663 9.568 -1.982 1.00 0.00 C ATOM 159 CD2 LEU A 13 -4.156 8.073 -3.925 1.00 0.00 C ATOM 0 H LEU A 13 -1.274 6.635 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.679 7.514 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.135 9.187 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.986 9.687 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.965 7.569 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.609 9.267 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.940 9.786 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.818 10.460 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.095 7.792 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.322 8.928 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.782 7.234 -4.511 1.00 0.00 H new ATOM 171 N TYR A 14 1.261 8.111 -3.850 1.00 0.00 N ATOM 172 CA TYR A 14 2.622 8.542 -4.146 1.00 0.00 C ATOM 173 C TYR A 14 3.620 7.422 -3.868 1.00 0.00 C ATOM 174 O TYR A 14 3.521 6.721 -2.862 1.00 0.00 O ATOM 175 CB TYR A 14 2.980 9.777 -3.316 1.00 0.00 C ATOM 176 CG TYR A 14 1.816 10.716 -3.095 1.00 0.00 C ATOM 177 CD1 TYR A 14 0.803 10.400 -2.199 1.00 0.00 C ATOM 178 CD2 TYR A 14 1.731 11.921 -3.782 1.00 0.00 C ATOM 179 CE1 TYR A 14 -0.263 11.255 -1.995 1.00 0.00 C ATOM 180 CE2 TYR A 14 0.669 12.783 -3.583 1.00 0.00 C ATOM 181 CZ TYR A 14 -0.325 12.445 -2.689 1.00 0.00 C ATOM 182 OH TYR A 14 -1.384 13.300 -2.487 1.00 0.00 O ATOM 0 H TYR A 14 1.137 7.714 -2.919 1.00 0.00 H new ATOM 0 HA TYR A 14 2.674 8.796 -5.205 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.365 9.455 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.784 10.319 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.849 9.470 -1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.508 12.188 -4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.043 10.993 -1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.618 13.716 -4.125 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.276 14.094 -3.052 1.00 0.00 H new ATOM 192 N SER A 15 4.584 7.261 -4.770 1.00 0.00 N ATOM 193 CA SER A 15 5.600 6.225 -4.626 1.00 0.00 C ATOM 194 C SER A 15 6.498 6.508 -3.425 1.00 0.00 C ATOM 195 O SER A 15 7.107 7.574 -3.329 1.00 0.00 O ATOM 196 CB SER A 15 6.445 6.129 -5.898 1.00 0.00 C ATOM 197 OG SER A 15 7.058 7.370 -6.197 1.00 0.00 O ATOM 0 H SER A 15 4.682 7.835 -5.608 1.00 0.00 H new ATOM 0 HA SER A 15 5.093 5.274 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.210 5.363 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.817 5.819 -6.733 1.00 0.00 H new ATOM 0 HG SER A 15 7.285 7.832 -5.363 1.00 0.00 H new ATOM 203 N PHE A 16 6.576 5.546 -2.512 1.00 0.00 N ATOM 204 CA PHE A 16 7.399 5.690 -1.317 1.00 0.00 C ATOM 205 C PHE A 16 8.584 4.731 -1.353 1.00 0.00 C ATOM 206 O PHE A 16 8.530 3.686 -2.002 1.00 0.00 O ATOM 207 CB PHE A 16 6.561 5.437 -0.062 1.00 0.00 C ATOM 208 CG PHE A 16 7.332 5.604 1.217 1.00 0.00 C ATOM 209 CD1 PHE A 16 7.694 6.864 1.663 1.00 0.00 C ATOM 210 CD2 PHE A 16 7.694 4.499 1.971 1.00 0.00 C ATOM 211 CE1 PHE A 16 8.403 7.021 2.840 1.00 0.00 C ATOM 212 CE2 PHE A 16 8.402 4.650 3.148 1.00 0.00 C ATOM 213 CZ PHE A 16 8.758 5.912 3.583 1.00 0.00 C ATOM 0 H PHE A 16 6.079 4.658 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 16 7.782 6.710 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.712 6.121 -0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.155 4.426 -0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.420 7.734 1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.420 3.510 1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.679 8.009 3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.677 3.781 3.728 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.313 6.031 4.502 1.00 0.00 H new ATOM 223 N GLN A 17 9.654 5.094 -0.653 1.00 0.00 N ATOM 224 CA GLN A 17 10.853 4.266 -0.606 1.00 0.00 C ATOM 225 C GLN A 17 11.157 3.828 0.823 1.00 0.00 C ATOM 226 O GLN A 17 11.457 4.653 1.685 1.00 0.00 O ATOM 227 CB GLN A 17 12.047 5.028 -1.182 1.00 0.00 C ATOM 228 CG GLN A 17 12.230 4.831 -2.679 1.00 0.00 C ATOM 229 CD GLN A 17 12.855 6.036 -3.354 1.00 0.00 C ATOM 230 OE1 GLN A 17 13.319 6.963 -2.690 1.00 0.00 O ATOM 231 NE2 GLN A 17 12.871 6.029 -4.682 1.00 0.00 N ATOM 0 H GLN A 17 9.715 5.956 -0.111 1.00 0.00 H new ATOM 0 HA GLN A 17 10.673 3.376 -1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.922 6.091 -0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.954 4.708 -0.668 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.857 3.956 -2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.262 4.625 -3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.475 5.240 -5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.279 6.813 -5.191 1.00 0.00 H new ATOM 240 N ALA A 18 11.075 2.524 1.067 1.00 0.00 N ATOM 241 CA ALA A 18 11.343 1.976 2.391 1.00 0.00 C ATOM 242 C ALA A 18 12.803 2.178 2.784 1.00 0.00 C ATOM 243 O ALA A 18 13.676 1.411 2.378 1.00 0.00 O ATOM 244 CB ALA A 18 10.982 0.499 2.434 1.00 0.00 C ATOM 0 H ALA A 18 10.825 1.828 0.365 1.00 0.00 H new ATOM 0 HA ALA A 18 10.723 2.511 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.187 0.103 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.923 0.376 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.577 -0.042 1.698 1.00 0.00 H new ATOM 250 N ARG A 19 13.060 3.215 3.575 1.00 0.00 N ATOM 251 CA ARG A 19 14.414 3.518 4.020 1.00 0.00 C ATOM 252 C ARG A 19 15.111 2.262 4.537 1.00 0.00 C ATOM 253 O ARG A 19 16.304 2.065 4.309 1.00 0.00 O ATOM 254 CB ARG A 19 14.387 4.586 5.115 1.00 0.00 C ATOM 255 CG ARG A 19 15.635 5.452 5.153 1.00 0.00 C ATOM 256 CD ARG A 19 16.759 4.775 5.922 1.00 0.00 C ATOM 257 NE ARG A 19 17.898 5.666 6.124 1.00 0.00 N ATOM 258 CZ ARG A 19 19.119 5.241 6.430 1.00 0.00 C ATOM 259 NH1 ARG A 19 19.358 3.944 6.568 1.00 0.00 N ATOM 260 NH2 ARG A 19 20.104 6.114 6.598 1.00 0.00 N ATOM 0 H ARG A 19 12.348 3.859 3.920 1.00 0.00 H new ATOM 0 HA ARG A 19 14.974 3.898 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 19 13.516 5.225 4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.263 4.099 6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.964 5.663 4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.401 6.410 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.385 4.439 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.085 3.887 5.381 1.00 0.00 H new ATOM 0 HE ARG A 19 17.748 6.670 6.025 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.603 3.270 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.296 3.621 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 19 19.924 7.112 6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.041 5.787 6.833 1.00 0.00 H new ATOM 274 N GLN A 20 14.357 1.418 5.233 1.00 0.00 N ATOM 275 CA GLN A 20 14.902 0.182 5.783 1.00 0.00 C ATOM 276 C GLN A 20 13.930 -0.976 5.587 1.00 0.00 C ATOM 277 O GLN A 20 12.745 -0.768 5.327 1.00 0.00 O ATOM 278 CB GLN A 20 15.216 0.356 7.270 1.00 0.00 C ATOM 279 CG GLN A 20 14.133 1.096 8.037 1.00 0.00 C ATOM 280 CD GLN A 20 14.427 1.186 9.522 1.00 0.00 C ATOM 281 OE1 GLN A 20 15.138 0.348 10.077 1.00 0.00 O ATOM 282 NE2 GLN A 20 13.880 2.205 10.174 1.00 0.00 N ATOM 0 H GLN A 20 13.367 1.567 5.430 1.00 0.00 H new ATOM 0 HA GLN A 20 15.824 -0.049 5.249 1.00 0.00 H new ATOM 0 HB2 GLN A 20 15.362 -0.626 7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 20 16.157 0.896 7.373 1.00 0.00 H new ATOM 0 HG2 GLN A 20 14.027 2.102 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.179 0.590 7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.297 2.876 9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.043 2.316 11.175 1.00 0.00 H new ATOM 291 N ASP A 21 14.439 -2.197 5.714 1.00 0.00 N ATOM 292 CA ASP A 21 13.615 -3.389 5.553 1.00 0.00 C ATOM 293 C ASP A 21 12.331 -3.278 6.369 1.00 0.00 C ATOM 294 O ASP A 21 11.259 -3.679 5.916 1.00 0.00 O ATOM 295 CB ASP A 21 14.396 -4.635 5.974 1.00 0.00 C ATOM 296 CG ASP A 21 13.760 -5.915 5.468 1.00 0.00 C ATOM 297 OD1 ASP A 21 12.822 -6.412 6.127 1.00 0.00 O ATOM 298 OD2 ASP A 21 14.200 -6.421 4.414 1.00 0.00 O ATOM 0 H ASP A 21 15.418 -2.387 5.928 1.00 0.00 H new ATOM 0 HA ASP A 21 13.347 -3.476 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.416 -4.566 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.460 -4.670 7.062 1.00 0.00 H new ATOM 303 N ASP A 22 12.449 -2.733 7.575 1.00 0.00 N ATOM 304 CA ASP A 22 11.298 -2.569 8.455 1.00 0.00 C ATOM 305 C ASP A 22 10.132 -1.925 7.711 1.00 0.00 C ATOM 306 O ASP A 22 8.995 -2.388 7.802 1.00 0.00 O ATOM 307 CB ASP A 22 11.675 -1.719 9.670 1.00 0.00 C ATOM 308 CG ASP A 22 12.878 -2.269 10.410 1.00 0.00 C ATOM 309 OD1 ASP A 22 13.100 -3.496 10.350 1.00 0.00 O ATOM 310 OD2 ASP A 22 13.596 -1.473 11.051 1.00 0.00 O ATOM 0 H ASP A 22 13.330 -2.398 7.965 1.00 0.00 H new ATOM 0 HA ASP A 22 10.988 -3.557 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.886 -0.700 9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.826 -1.667 10.351 1.00 0.00 H new ATOM 315 N GLU A 23 10.423 -0.856 6.977 1.00 0.00 N ATOM 316 CA GLU A 23 9.397 -0.148 6.219 1.00 0.00 C ATOM 317 C GLU A 23 9.026 -0.919 4.955 1.00 0.00 C ATOM 318 O GLU A 23 9.530 -2.016 4.713 1.00 0.00 O ATOM 319 CB GLU A 23 9.881 1.255 5.850 1.00 0.00 C ATOM 320 CG GLU A 23 9.778 2.254 6.991 1.00 0.00 C ATOM 321 CD GLU A 23 8.407 2.895 7.083 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.048 3.660 6.164 1.00 0.00 O ATOM 323 OE2 GLU A 23 7.694 2.632 8.074 1.00 0.00 O ATOM 0 H GLU A 23 11.360 -0.461 6.891 1.00 0.00 H new ATOM 0 HA GLU A 23 8.510 -0.065 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.919 1.197 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.298 1.621 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.003 1.751 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.530 3.031 6.857 1.00 0.00 H new ATOM 330 N LEU A 24 8.142 -0.336 4.153 1.00 0.00 N ATOM 331 CA LEU A 24 7.702 -0.967 2.913 1.00 0.00 C ATOM 332 C LEU A 24 7.664 0.044 1.771 1.00 0.00 C ATOM 333 O LEU A 24 7.127 1.141 1.918 1.00 0.00 O ATOM 334 CB LEU A 24 6.320 -1.595 3.100 1.00 0.00 C ATOM 335 CG LEU A 24 6.020 -2.826 2.243 1.00 0.00 C ATOM 336 CD1 LEU A 24 4.852 -3.608 2.823 1.00 0.00 C ATOM 337 CD2 LEU A 24 5.730 -2.418 0.806 1.00 0.00 C ATOM 0 H LEU A 24 7.716 0.572 4.339 1.00 0.00 H new ATOM 0 HA LEU A 24 8.418 -1.748 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.207 -1.871 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.567 -0.837 2.887 1.00 0.00 H new ATOM 0 HG LEU A 24 6.899 -3.470 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.653 -4.480 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.098 -3.933 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.967 -2.973 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.519 -3.307 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.867 -1.753 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.596 -1.902 0.392 1.00 0.00 H new ATOM 349 N ASN A 25 8.236 -0.335 0.633 1.00 0.00 N ATOM 350 CA ASN A 25 8.266 0.538 -0.535 1.00 0.00 C ATOM 351 C ASN A 25 6.912 0.550 -1.239 1.00 0.00 C ATOM 352 O ASN A 25 6.254 -0.484 -1.362 1.00 0.00 O ATOM 353 CB ASN A 25 9.356 0.085 -1.508 1.00 0.00 C ATOM 354 CG ASN A 25 9.276 0.805 -2.841 1.00 0.00 C ATOM 355 OD1 ASN A 25 8.392 0.533 -3.654 1.00 0.00 O ATOM 356 ND2 ASN A 25 10.203 1.728 -3.071 1.00 0.00 N ATOM 0 H ASN A 25 8.685 -1.240 0.495 1.00 0.00 H new ATOM 0 HA ASN A 25 8.489 1.550 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.334 0.261 -1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.269 -0.989 -1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.201 2.245 -3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.917 1.920 -2.368 1.00 0.00 H new ATOM 363 N LEU A 26 6.503 1.727 -1.701 1.00 0.00 N ATOM 364 CA LEU A 26 5.228 1.875 -2.395 1.00 0.00 C ATOM 365 C LEU A 26 5.422 2.538 -3.754 1.00 0.00 C ATOM 366 O LEU A 26 6.328 3.351 -3.935 1.00 0.00 O ATOM 367 CB LEU A 26 4.256 2.697 -1.547 1.00 0.00 C ATOM 368 CG LEU A 26 4.069 2.235 -0.101 1.00 0.00 C ATOM 369 CD1 LEU A 26 3.253 3.250 0.683 1.00 0.00 C ATOM 370 CD2 LEU A 26 3.403 0.867 -0.061 1.00 0.00 C ATOM 0 H LEU A 26 7.035 2.592 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 26 4.811 0.881 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.601 3.731 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.283 2.691 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 26 5.051 2.153 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.131 2.904 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.769 4.210 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.273 3.365 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.278 0.554 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.427 0.923 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.026 0.143 -0.586 1.00 0.00 H new ATOM 382 N GLU A 27 4.562 2.188 -4.706 1.00 0.00 N ATOM 383 CA GLU A 27 4.639 2.751 -6.049 1.00 0.00 C ATOM 384 C GLU A 27 3.301 3.358 -6.461 1.00 0.00 C ATOM 385 O GLU A 27 2.238 2.857 -6.093 1.00 0.00 O ATOM 386 CB GLU A 27 5.055 1.675 -7.054 1.00 0.00 C ATOM 387 CG GLU A 27 4.906 2.107 -8.504 1.00 0.00 C ATOM 388 CD GLU A 27 5.692 1.228 -9.457 1.00 0.00 C ATOM 389 OE1 GLU A 27 6.939 1.263 -9.405 1.00 0.00 O ATOM 390 OE2 GLU A 27 5.059 0.506 -10.256 1.00 0.00 O ATOM 0 H GLU A 27 3.805 1.518 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 27 5.390 3.541 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.094 1.400 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.454 0.781 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.852 2.084 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.240 3.139 -8.608 1.00 0.00 H new ATOM 397 N LYS A 28 3.361 4.442 -7.228 1.00 0.00 N ATOM 398 CA LYS A 28 2.156 5.119 -7.692 1.00 0.00 C ATOM 399 C LYS A 28 1.198 4.133 -8.352 1.00 0.00 C ATOM 400 O LYS A 28 1.479 3.605 -9.427 1.00 0.00 O ATOM 401 CB LYS A 28 2.519 6.232 -8.678 1.00 0.00 C ATOM 402 CG LYS A 28 1.312 6.915 -9.296 1.00 0.00 C ATOM 403 CD LYS A 28 1.607 8.365 -9.641 1.00 0.00 C ATOM 404 CE LYS A 28 1.564 9.252 -8.406 1.00 0.00 C ATOM 405 NZ LYS A 28 0.200 9.800 -8.165 1.00 0.00 N ATOM 0 H LYS A 28 4.232 4.870 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 28 1.659 5.557 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.124 6.978 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.136 5.814 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.012 6.380 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.472 6.869 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.590 8.436 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.881 8.721 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.884 8.679 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.270 10.074 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.217 10.834 -8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.465 9.390 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.106 9.559 -7.201 1.00 0.00 H new ATOM 419 N GLY A 29 0.064 3.890 -7.701 1.00 0.00 N ATOM 420 CA GLY A 29 -0.919 2.969 -8.241 1.00 0.00 C ATOM 421 C GLY A 29 -0.661 1.535 -7.821 1.00 0.00 C ATOM 422 O GLY A 29 -0.807 0.611 -8.622 1.00 0.00 O ATOM 0 H GLY A 29 -0.191 4.315 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.913 3.268 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.913 3.033 -9.329 1.00 0.00 H new ATOM 426 N ASP A 30 -0.276 1.349 -6.564 1.00 0.00 N ATOM 427 CA ASP A 30 0.004 0.017 -6.039 1.00 0.00 C ATOM 428 C ASP A 30 -0.958 -0.334 -4.908 1.00 0.00 C ATOM 429 O ASP A 30 -1.105 0.423 -3.948 1.00 0.00 O ATOM 430 CB ASP A 30 1.448 -0.066 -5.542 1.00 0.00 C ATOM 431 CG ASP A 30 2.410 -0.502 -6.630 1.00 0.00 C ATOM 432 OD1 ASP A 30 2.424 0.139 -7.701 1.00 0.00 O ATOM 433 OD2 ASP A 30 3.147 -1.486 -6.410 1.00 0.00 O ATOM 0 H ASP A 30 -0.150 2.103 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.135 -0.702 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.754 0.908 -5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.503 -0.768 -4.710 1.00 0.00 H new ATOM 438 N ILE A 31 -1.610 -1.485 -5.028 1.00 0.00 N ATOM 439 CA ILE A 31 -2.557 -1.936 -4.016 1.00 0.00 C ATOM 440 C ILE A 31 -1.855 -2.735 -2.923 1.00 0.00 C ATOM 441 O ILE A 31 -1.221 -3.755 -3.195 1.00 0.00 O ATOM 442 CB ILE A 31 -3.672 -2.801 -4.633 1.00 0.00 C ATOM 443 CG1 ILE A 31 -4.329 -2.066 -5.803 1.00 0.00 C ATOM 444 CG2 ILE A 31 -4.707 -3.161 -3.579 1.00 0.00 C ATOM 445 CD1 ILE A 31 -4.917 -0.726 -5.422 1.00 0.00 C ATOM 0 H ILE A 31 -1.500 -2.123 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.002 -1.042 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.230 -3.723 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.589 -1.918 -6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.117 -2.694 -6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.488 -3.772 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.228 -3.720 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.147 -2.249 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.365 -0.262 -6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.680 -0.868 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.129 -0.080 -5.033 1.00 0.00 H new ATOM 457 N VAL A 32 -1.973 -2.265 -1.685 1.00 0.00 N ATOM 458 CA VAL A 32 -1.353 -2.938 -0.550 1.00 0.00 C ATOM 459 C VAL A 32 -2.405 -3.485 0.407 1.00 0.00 C ATOM 460 O VAL A 32 -3.348 -2.784 0.776 1.00 0.00 O ATOM 461 CB VAL A 32 -0.418 -1.988 0.222 1.00 0.00 C ATOM 462 CG1 VAL A 32 0.327 -2.742 1.313 1.00 0.00 C ATOM 463 CG2 VAL A 32 0.557 -1.310 -0.730 1.00 0.00 C ATOM 0 H VAL A 32 -2.492 -1.421 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.768 -3.765 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.024 -1.216 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.983 -2.055 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.390 -3.176 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.923 -3.537 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.210 -0.642 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.159 -2.066 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.002 -0.735 -1.471 1.00 0.00 H new ATOM 473 N ILE A 33 -2.238 -4.742 0.805 1.00 0.00 N ATOM 474 CA ILE A 33 -3.173 -5.383 1.721 1.00 0.00 C ATOM 475 C ILE A 33 -2.966 -4.894 3.150 1.00 0.00 C ATOM 476 O ILE A 33 -1.959 -5.211 3.785 1.00 0.00 O ATOM 477 CB ILE A 33 -3.030 -6.917 1.689 1.00 0.00 C ATOM 478 CG1 ILE A 33 -3.256 -7.442 0.270 1.00 0.00 C ATOM 479 CG2 ILE A 33 -4.010 -7.560 2.659 1.00 0.00 C ATOM 480 CD1 ILE A 33 -2.541 -8.745 -0.013 1.00 0.00 C ATOM 0 H ILE A 33 -1.464 -5.336 0.507 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.175 -5.112 1.389 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.018 -7.180 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.325 -7.581 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.921 -6.690 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.897 -8.644 2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.807 -7.205 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.029 -7.292 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.746 -9.058 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.468 -8.606 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.894 -9.511 0.678 1.00 0.00 H new ATOM 492 N ILE A 34 -3.925 -4.123 3.651 1.00 0.00 N ATOM 493 CA ILE A 34 -3.849 -3.593 5.006 1.00 0.00 C ATOM 494 C ILE A 34 -4.038 -4.698 6.040 1.00 0.00 C ATOM 495 O ILE A 34 -4.998 -5.467 5.974 1.00 0.00 O ATOM 496 CB ILE A 34 -4.905 -2.498 5.243 1.00 0.00 C ATOM 497 CG1 ILE A 34 -4.653 -1.307 4.316 1.00 0.00 C ATOM 498 CG2 ILE A 34 -4.893 -2.055 6.698 1.00 0.00 C ATOM 499 CD1 ILE A 34 -5.827 -0.357 4.219 1.00 0.00 C ATOM 0 H ILE A 34 -4.764 -3.852 3.138 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.856 -3.158 5.119 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.889 -2.909 5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.781 -0.759 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.412 -1.677 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.645 -1.281 6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.116 -2.907 7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.909 -1.659 6.950 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.577 0.463 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.696 -0.891 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.055 0.042 5.207 1.00 0.00 H new ATOM 511 N HIS A 35 -3.118 -4.770 6.996 1.00 0.00 N ATOM 512 CA HIS A 35 -3.184 -5.780 8.047 1.00 0.00 C ATOM 513 C HIS A 35 -3.411 -5.132 9.410 1.00 0.00 C ATOM 514 O HIS A 35 -4.307 -5.528 10.153 1.00 0.00 O ATOM 515 CB HIS A 35 -1.899 -6.608 8.070 1.00 0.00 C ATOM 516 CG HIS A 35 -1.529 -7.177 6.735 1.00 0.00 C ATOM 517 ND1 HIS A 35 -0.305 -7.759 6.478 1.00 0.00 N ATOM 518 CD2 HIS A 35 -2.231 -7.253 5.580 1.00 0.00 C ATOM 519 CE1 HIS A 35 -0.270 -8.166 5.222 1.00 0.00 C ATOM 520 NE2 HIS A 35 -1.426 -7.872 4.655 1.00 0.00 N ATOM 0 H HIS A 35 -2.318 -4.141 7.065 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.026 -6.437 7.832 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.081 -5.984 8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.015 -7.424 8.784 1.00 0.00 H new ATOM 0 HD1 HIS A 35 0.454 -7.859 7.152 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.236 -6.894 5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.563 -8.656 4.740 1.00 0.00 H new ATOM 529 N GLU A 36 -2.591 -4.135 9.729 1.00 0.00 N ATOM 530 CA GLU A 36 -2.702 -3.435 11.003 1.00 0.00 C ATOM 531 C GLU A 36 -2.294 -1.972 10.857 1.00 0.00 C ATOM 532 O GLU A 36 -1.306 -1.654 10.194 1.00 0.00 O ATOM 533 CB GLU A 36 -1.833 -4.115 12.062 1.00 0.00 C ATOM 534 CG GLU A 36 -2.301 -5.514 12.428 1.00 0.00 C ATOM 535 CD GLU A 36 -1.787 -6.570 11.470 1.00 0.00 C ATOM 536 OE1 GLU A 36 -0.553 -6.683 11.316 1.00 0.00 O ATOM 537 OE2 GLU A 36 -2.620 -7.285 10.874 1.00 0.00 O ATOM 0 H GLU A 36 -1.844 -3.795 9.124 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.744 -3.474 11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.807 -4.168 11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.821 -3.498 12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.968 -5.752 13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.391 -5.538 12.438 1.00 0.00 H new ATOM 544 N LYS A 37 -3.061 -1.084 11.481 1.00 0.00 N ATOM 545 CA LYS A 37 -2.780 0.345 11.423 1.00 0.00 C ATOM 546 C LYS A 37 -2.860 0.973 12.811 1.00 0.00 C ATOM 547 O LYS A 37 -3.834 1.648 13.143 1.00 0.00 O ATOM 548 CB LYS A 37 -3.765 1.041 10.480 1.00 0.00 C ATOM 549 CG LYS A 37 -3.862 0.388 9.112 1.00 0.00 C ATOM 550 CD LYS A 37 -4.914 1.061 8.246 1.00 0.00 C ATOM 551 CE LYS A 37 -6.286 0.437 8.450 1.00 0.00 C ATOM 552 NZ LYS A 37 -7.382 1.371 8.071 1.00 0.00 N ATOM 0 H LYS A 37 -3.883 -1.330 12.033 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.767 0.475 11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.753 1.048 10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.463 2.081 10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.893 0.438 8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.106 -0.668 9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.957 2.124 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.629 0.981 7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.363 -0.473 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.401 0.147 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.301 0.909 8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.324 2.229 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.287 1.628 7.068 1.00 0.00 H new ATOM 566 N LYS A 38 -1.828 0.746 13.617 1.00 0.00 N ATOM 567 CA LYS A 38 -1.780 1.291 14.969 1.00 0.00 C ATOM 568 C LYS A 38 -1.083 2.648 14.983 1.00 0.00 C ATOM 569 O LYS A 38 -1.675 3.655 15.370 1.00 0.00 O ATOM 570 CB LYS A 38 -1.053 0.323 15.905 1.00 0.00 C ATOM 571 CG LYS A 38 -1.770 -1.004 16.083 1.00 0.00 C ATOM 572 CD LYS A 38 -1.321 -2.023 15.048 1.00 0.00 C ATOM 573 CE LYS A 38 -0.105 -2.802 15.525 1.00 0.00 C ATOM 574 NZ LYS A 38 0.672 -3.368 14.387 1.00 0.00 N ATOM 0 H LYS A 38 -1.014 0.189 13.358 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.804 1.424 15.318 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.052 0.136 15.515 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.932 0.795 16.880 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.578 -1.391 17.084 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.846 -0.851 16.002 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.138 -2.714 14.838 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.085 -1.514 14.113 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.538 -2.147 16.114 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.426 -3.610 16.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.561 -3.774 14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.114 -4.111 13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.884 -2.614 13.703 1.00 0.00 H new ATOM 588 N GLU A 39 0.176 2.667 14.558 1.00 0.00 N ATOM 589 CA GLU A 39 0.952 3.901 14.523 1.00 0.00 C ATOM 590 C GLU A 39 0.158 5.024 13.861 1.00 0.00 C ATOM 591 O GLU A 39 -0.722 4.773 13.038 1.00 0.00 O ATOM 592 CB GLU A 39 2.267 3.682 13.772 1.00 0.00 C ATOM 593 CG GLU A 39 3.307 4.757 14.039 1.00 0.00 C ATOM 594 CD GLU A 39 3.961 4.611 15.400 1.00 0.00 C ATOM 595 OE1 GLU A 39 3.249 4.271 16.368 1.00 0.00 O ATOM 596 OE2 GLU A 39 5.185 4.837 15.496 1.00 0.00 O ATOM 0 H GLU A 39 0.680 1.842 14.233 1.00 0.00 H new ATOM 0 HA GLU A 39 1.172 4.190 15.551 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.679 2.712 14.053 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.063 3.644 12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.074 4.716 13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.836 5.738 13.969 1.00 0.00 H new ATOM 603 N GLU A 40 0.475 6.261 14.228 1.00 0.00 N ATOM 604 CA GLU A 40 -0.210 7.422 13.672 1.00 0.00 C ATOM 605 C GLU A 40 0.178 7.633 12.211 1.00 0.00 C ATOM 606 O GLU A 40 1.103 8.385 11.905 1.00 0.00 O ATOM 607 CB GLU A 40 0.121 8.675 14.485 1.00 0.00 C ATOM 608 CG GLU A 40 -0.619 9.917 14.016 1.00 0.00 C ATOM 609 CD GLU A 40 -0.884 10.898 15.142 1.00 0.00 C ATOM 610 OE1 GLU A 40 0.014 11.087 15.989 1.00 0.00 O ATOM 611 OE2 GLU A 40 -1.990 11.478 15.175 1.00 0.00 O ATOM 0 H GLU A 40 1.202 6.485 14.908 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.283 7.238 13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.120 8.493 15.532 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.194 8.860 14.432 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.036 10.411 13.239 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.567 9.622 13.565 1.00 0.00 H new ATOM 618 N GLY A 41 -0.538 6.964 11.312 1.00 0.00 N ATOM 619 CA GLY A 41 -0.254 7.091 9.894 1.00 0.00 C ATOM 620 C GLY A 41 0.424 5.860 9.326 1.00 0.00 C ATOM 621 O GLY A 41 -0.097 5.224 8.410 1.00 0.00 O ATOM 0 H GLY A 41 -1.309 6.337 11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.184 7.271 9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.383 7.961 9.731 1.00 0.00 H new ATOM 625 N TRP A 42 1.588 5.524 9.870 1.00 0.00 N ATOM 626 CA TRP A 42 2.339 4.361 9.410 1.00 0.00 C ATOM 627 C TRP A 42 1.496 3.095 9.508 1.00 0.00 C ATOM 628 O TRP A 42 1.278 2.567 10.599 1.00 0.00 O ATOM 629 CB TRP A 42 3.621 4.200 10.228 1.00 0.00 C ATOM 630 CG TRP A 42 4.361 5.487 10.433 1.00 0.00 C ATOM 631 CD1 TRP A 42 4.096 6.446 11.369 1.00 0.00 C ATOM 632 CD2 TRP A 42 5.486 5.957 9.682 1.00 0.00 C ATOM 633 NE1 TRP A 42 4.988 7.483 11.245 1.00 0.00 N ATOM 634 CE2 TRP A 42 5.852 7.207 10.219 1.00 0.00 C ATOM 635 CE3 TRP A 42 6.222 5.443 8.611 1.00 0.00 C ATOM 636 CZ2 TRP A 42 6.920 7.948 9.718 1.00 0.00 C ATOM 637 CZ3 TRP A 42 7.281 6.179 8.116 1.00 0.00 C ATOM 638 CH2 TRP A 42 7.622 7.420 8.669 1.00 0.00 C ATOM 0 H TRP A 42 2.032 6.040 10.630 1.00 0.00 H new ATOM 0 HA TRP A 42 2.602 4.520 8.364 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.372 3.774 11.200 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.277 3.488 9.726 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.302 6.396 12.099 1.00 0.00 H new ATOM 0 HE1 TRP A 42 5.004 8.323 11.824 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.967 4.487 8.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.184 8.905 10.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.856 5.791 7.288 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.456 7.971 8.259 1.00 0.00 H new ATOM 649 N TRP A 43 1.025 2.612 8.364 1.00 0.00 N ATOM 650 CA TRP A 43 0.205 1.407 8.323 1.00 0.00 C ATOM 651 C TRP A 43 1.066 0.172 8.080 1.00 0.00 C ATOM 652 O TRP A 43 2.218 0.279 7.660 1.00 0.00 O ATOM 653 CB TRP A 43 -0.858 1.525 7.230 1.00 0.00 C ATOM 654 CG TRP A 43 -1.904 2.557 7.528 1.00 0.00 C ATOM 655 CD1 TRP A 43 -1.941 3.400 8.602 1.00 0.00 C ATOM 656 CD2 TRP A 43 -3.064 2.852 6.743 1.00 0.00 C ATOM 657 NE1 TRP A 43 -3.055 4.201 8.532 1.00 0.00 N ATOM 658 CE2 TRP A 43 -3.760 3.886 7.401 1.00 0.00 C ATOM 659 CE3 TRP A 43 -3.583 2.346 5.548 1.00 0.00 C ATOM 660 CZ2 TRP A 43 -4.945 4.419 6.903 1.00 0.00 C ATOM 661 CZ3 TRP A 43 -4.760 2.876 5.055 1.00 0.00 C ATOM 662 CH2 TRP A 43 -5.430 3.905 5.731 1.00 0.00 C ATOM 0 H TRP A 43 1.197 3.036 7.453 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.288 1.300 9.289 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.372 1.772 6.286 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.341 0.557 7.096 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.203 3.432 9.390 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.315 4.915 9.212 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.073 1.554 5.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.464 5.211 7.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.171 2.491 4.133 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.347 4.300 5.319 1.00 0.00 H new ATOM 673 N PHE A 44 0.500 -1.001 8.347 1.00 0.00 N ATOM 674 CA PHE A 44 1.216 -2.256 8.158 1.00 0.00 C ATOM 675 C PHE A 44 0.471 -3.167 7.186 1.00 0.00 C ATOM 676 O PHE A 44 -0.716 -3.439 7.360 1.00 0.00 O ATOM 677 CB PHE A 44 1.404 -2.968 9.499 1.00 0.00 C ATOM 678 CG PHE A 44 2.272 -4.191 9.413 1.00 0.00 C ATOM 679 CD1 PHE A 44 3.652 -4.077 9.394 1.00 0.00 C ATOM 680 CD2 PHE A 44 1.706 -5.454 9.349 1.00 0.00 C ATOM 681 CE1 PHE A 44 4.454 -5.201 9.315 1.00 0.00 C ATOM 682 CE2 PHE A 44 2.502 -6.581 9.270 1.00 0.00 C ATOM 683 CZ PHE A 44 3.878 -6.454 9.252 1.00 0.00 C ATOM 0 H PHE A 44 -0.453 -1.108 8.695 1.00 0.00 H new ATOM 0 HA PHE A 44 2.194 -2.026 7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.842 -2.271 10.213 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.427 -3.253 9.890 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.107 -3.099 9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.631 -5.559 9.361 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.529 -5.099 9.303 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.049 -7.560 9.222 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.502 -7.333 9.189 1.00 0.00 H new ATOM 693 N GLY A 45 1.178 -3.634 6.161 1.00 0.00 N ATOM 694 CA GLY A 45 0.568 -4.508 5.176 1.00 0.00 C ATOM 695 C GLY A 45 1.548 -4.953 4.109 1.00 0.00 C ATOM 696 O GLY A 45 2.683 -4.478 4.063 1.00 0.00 O ATOM 0 H GLY A 45 2.162 -3.423 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.159 -5.385 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.268 -3.991 4.704 1.00 0.00 H new ATOM 700 N SER A 46 1.111 -5.868 3.251 1.00 0.00 N ATOM 701 CA SER A 46 1.960 -6.381 2.182 1.00 0.00 C ATOM 702 C SER A 46 1.547 -5.801 0.833 1.00 0.00 C ATOM 703 O SER A 46 0.369 -5.819 0.471 1.00 0.00 O ATOM 704 CB SER A 46 1.891 -7.909 2.136 1.00 0.00 C ATOM 705 OG SER A 46 3.090 -8.459 1.617 1.00 0.00 O ATOM 0 H SER A 46 0.174 -6.270 3.275 1.00 0.00 H new ATOM 0 HA SER A 46 2.986 -6.077 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.713 -8.298 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.048 -8.220 1.519 1.00 0.00 H new ATOM 0 HG SER A 46 3.021 -9.436 1.600 1.00 0.00 H new ATOM 711 N LEU A 47 2.523 -5.286 0.093 1.00 0.00 N ATOM 712 CA LEU A 47 2.262 -4.700 -1.217 1.00 0.00 C ATOM 713 C LEU A 47 2.225 -5.776 -2.297 1.00 0.00 C ATOM 714 O LEU A 47 1.156 -6.149 -2.779 1.00 0.00 O ATOM 715 CB LEU A 47 3.331 -3.659 -1.553 1.00 0.00 C ATOM 716 CG LEU A 47 3.481 -3.305 -3.033 1.00 0.00 C ATOM 717 CD1 LEU A 47 2.119 -3.050 -3.662 1.00 0.00 C ATOM 718 CD2 LEU A 47 4.384 -2.092 -3.203 1.00 0.00 C ATOM 0 H LEU A 47 3.502 -5.262 0.378 1.00 0.00 H new ATOM 0 HA LEU A 47 1.288 -4.213 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.106 -2.746 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.291 -4.023 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 47 3.942 -4.150 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.246 -2.800 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.504 -3.946 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.630 -2.222 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.479 -1.855 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.952 -1.240 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.369 -2.311 -2.790 1.00 0.00 H new ATOM 730 N ASN A 48 3.400 -6.271 -2.672 1.00 0.00 N ATOM 731 CA ASN A 48 3.502 -7.306 -3.695 1.00 0.00 C ATOM 732 C ASN A 48 4.148 -8.567 -3.130 1.00 0.00 C ATOM 733 O ASN A 48 4.969 -9.205 -3.788 1.00 0.00 O ATOM 734 CB ASN A 48 4.313 -6.795 -4.888 1.00 0.00 C ATOM 735 CG ASN A 48 3.442 -6.131 -5.937 1.00 0.00 C ATOM 736 OD1 ASN A 48 2.288 -6.513 -6.134 1.00 0.00 O ATOM 737 ND2 ASN A 48 3.993 -5.132 -6.617 1.00 0.00 N ATOM 0 H ASN A 48 4.295 -5.972 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 48 2.494 -7.553 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.061 -6.084 -4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.852 -7.627 -5.341 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.456 -4.647 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.953 -4.849 -6.420 1.00 0.00 H new ATOM 744 N GLY A 49 3.770 -8.922 -1.905 1.00 0.00 N ATOM 745 CA GLY A 49 4.321 -10.105 -1.272 1.00 0.00 C ATOM 746 C GLY A 49 5.295 -9.768 -0.161 1.00 0.00 C ATOM 747 O GLY A 49 5.864 -10.661 0.469 1.00 0.00 O ATOM 0 H GLY A 49 3.092 -8.411 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.508 -10.709 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.827 -10.713 -2.022 1.00 0.00 H new ATOM 751 N LYS A 50 5.490 -8.476 0.082 1.00 0.00 N ATOM 752 CA LYS A 50 6.402 -8.022 1.124 1.00 0.00 C ATOM 753 C LYS A 50 5.667 -7.175 2.159 1.00 0.00 C ATOM 754 O LYS A 50 5.103 -6.130 1.834 1.00 0.00 O ATOM 755 CB LYS A 50 7.549 -7.216 0.511 1.00 0.00 C ATOM 756 CG LYS A 50 8.526 -8.060 -0.289 1.00 0.00 C ATOM 757 CD LYS A 50 9.612 -8.646 0.596 1.00 0.00 C ATOM 758 CE LYS A 50 10.670 -7.609 0.941 1.00 0.00 C ATOM 759 NZ LYS A 50 11.507 -8.034 2.097 1.00 0.00 N ATOM 0 H LYS A 50 5.028 -7.724 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 50 6.810 -8.901 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.134 -6.444 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.090 -6.706 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.988 -8.866 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.981 -7.450 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.167 -9.032 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.080 -9.490 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.308 -7.439 0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.186 -6.660 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.216 -7.301 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.902 -8.172 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.989 -8.927 1.867 1.00 0.00 H new ATOM 773 N LYS A 51 5.680 -7.632 3.406 1.00 0.00 N ATOM 774 CA LYS A 51 5.017 -6.915 4.490 1.00 0.00 C ATOM 775 C LYS A 51 5.953 -5.884 5.113 1.00 0.00 C ATOM 776 O LYS A 51 7.169 -6.068 5.133 1.00 0.00 O ATOM 777 CB LYS A 51 4.539 -7.898 5.561 1.00 0.00 C ATOM 778 CG LYS A 51 3.115 -8.382 5.351 1.00 0.00 C ATOM 779 CD LYS A 51 2.629 -9.215 6.525 1.00 0.00 C ATOM 780 CE LYS A 51 3.190 -10.628 6.475 1.00 0.00 C ATOM 781 NZ LYS A 51 4.550 -10.707 7.076 1.00 0.00 N ATOM 0 H LYS A 51 6.142 -8.495 3.692 1.00 0.00 H new ATOM 0 HA LYS A 51 4.156 -6.393 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.208 -8.759 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.611 -7.421 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.455 -7.525 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.062 -8.974 4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.925 -8.737 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.540 -9.254 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.519 -11.304 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.230 -10.966 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.238 -10.977 6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.810 -9.780 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.554 -11.419 7.834 1.00 0.00 H new ATOM 795 N GLY A 52 5.377 -4.799 5.621 1.00 0.00 N ATOM 796 CA GLY A 52 6.175 -3.756 6.239 1.00 0.00 C ATOM 797 C GLY A 52 5.356 -2.528 6.584 1.00 0.00 C ATOM 798 O GLY A 52 4.205 -2.402 6.165 1.00 0.00 O ATOM 0 H GLY A 52 4.372 -4.624 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.639 -4.146 7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.983 -3.473 5.564 1.00 0.00 H new ATOM 802 N HIS A 53 5.950 -1.620 7.353 1.00 0.00 N ATOM 803 CA HIS A 53 5.267 -0.396 7.756 1.00 0.00 C ATOM 804 C HIS A 53 5.426 0.689 6.695 1.00 0.00 C ATOM 805 O HIS A 53 6.541 1.108 6.383 1.00 0.00 O ATOM 806 CB HIS A 53 5.813 0.100 9.095 1.00 0.00 C ATOM 807 CG HIS A 53 5.507 -0.814 10.242 1.00 0.00 C ATOM 808 ND1 HIS A 53 6.455 -1.619 10.836 1.00 0.00 N ATOM 809 CD2 HIS A 53 4.350 -1.045 10.905 1.00 0.00 C ATOM 810 CE1 HIS A 53 5.894 -2.308 11.814 1.00 0.00 C ATOM 811 NE2 HIS A 53 4.617 -1.978 11.877 1.00 0.00 N ATOM 0 H HIS A 53 6.902 -1.709 7.709 1.00 0.00 H new ATOM 0 HA HIS A 53 4.206 -0.620 7.865 1.00 0.00 H new ATOM 0 HB2 HIS A 53 6.893 0.221 9.015 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.397 1.085 9.305 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.395 -0.582 10.707 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.395 -3.020 12.453 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.939 -2.355 12.540 1.00 0.00 H new ATOM 820 N PHE A 54 4.304 1.141 6.145 1.00 0.00 N ATOM 821 CA PHE A 54 4.319 2.176 5.118 1.00 0.00 C ATOM 822 C PHE A 54 3.514 3.394 5.561 1.00 0.00 C ATOM 823 O PHE A 54 2.619 3.305 6.402 1.00 0.00 O ATOM 824 CB PHE A 54 3.756 1.629 3.804 1.00 0.00 C ATOM 825 CG PHE A 54 2.501 0.822 3.980 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.272 1.447 4.115 1.00 0.00 C ATOM 827 CD2 PHE A 54 2.552 -0.563 4.010 1.00 0.00 C ATOM 828 CE1 PHE A 54 0.116 0.707 4.276 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.399 -1.308 4.171 1.00 0.00 C ATOM 830 CZ PHE A 54 0.180 -0.672 4.305 1.00 0.00 C ATOM 0 H PHE A 54 3.373 0.807 6.393 1.00 0.00 H new ATOM 0 HA PHE A 54 5.353 2.483 4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.552 2.462 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.513 1.009 3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.217 2.525 4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.503 -1.065 3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.836 1.207 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.451 -2.387 4.192 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.722 -1.253 4.432 1.00 0.00 H new ATOM 840 N PRO A 55 3.839 4.560 4.983 1.00 0.00 N ATOM 841 CA PRO A 55 3.159 5.818 5.303 1.00 0.00 C ATOM 842 C PRO A 55 1.724 5.850 4.786 1.00 0.00 C ATOM 843 O PRO A 55 1.474 5.600 3.608 1.00 0.00 O ATOM 844 CB PRO A 55 4.008 6.872 4.587 1.00 0.00 C ATOM 845 CG PRO A 55 4.661 6.136 3.469 1.00 0.00 C ATOM 846 CD PRO A 55 4.895 4.739 3.973 1.00 0.00 C ATOM 0 HA PRO A 55 3.077 5.975 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.392 7.691 4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.747 7.308 5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.026 6.130 2.583 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.600 6.611 3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.814 4.004 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.889 4.629 4.407 1.00 0.00 H new ATOM 854 N ALA A 56 0.787 6.159 5.676 1.00 0.00 N ATOM 855 CA ALA A 56 -0.622 6.225 5.309 1.00 0.00 C ATOM 856 C ALA A 56 -0.877 7.350 4.312 1.00 0.00 C ATOM 857 O ALA A 56 -1.405 7.120 3.224 1.00 0.00 O ATOM 858 CB ALA A 56 -1.483 6.412 6.550 1.00 0.00 C ATOM 0 H ALA A 56 0.978 6.368 6.656 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.892 5.283 4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.533 6.460 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.331 5.572 7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.202 7.338 7.051 1.00 0.00 H new ATOM 864 N ALA A 57 -0.500 8.567 4.690 1.00 0.00 N ATOM 865 CA ALA A 57 -0.687 9.727 3.828 1.00 0.00 C ATOM 866 C ALA A 57 -0.351 9.394 2.378 1.00 0.00 C ATOM 867 O ALA A 57 -0.841 10.041 1.453 1.00 0.00 O ATOM 868 CB ALA A 57 0.165 10.890 4.315 1.00 0.00 C ATOM 0 H ALA A 57 -0.063 8.775 5.588 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.737 10.016 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.015 11.749 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.125 11.153 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.216 10.602 4.300 1.00 0.00 H new ATOM 874 N TYR A 58 0.488 8.382 2.188 1.00 0.00 N ATOM 875 CA TYR A 58 0.892 7.965 0.851 1.00 0.00 C ATOM 876 C TYR A 58 -0.177 7.087 0.208 1.00 0.00 C ATOM 877 O TYR A 58 -0.458 7.203 -0.985 1.00 0.00 O ATOM 878 CB TYR A 58 2.221 7.210 0.909 1.00 0.00 C ATOM 879 CG TYR A 58 3.432 8.116 0.941 1.00 0.00 C ATOM 880 CD1 TYR A 58 3.624 9.014 1.984 1.00 0.00 C ATOM 881 CD2 TYR A 58 4.382 8.076 -0.072 1.00 0.00 C ATOM 882 CE1 TYR A 58 4.728 9.845 2.017 1.00 0.00 C ATOM 883 CE2 TYR A 58 5.489 8.901 -0.046 1.00 0.00 C ATOM 884 CZ TYR A 58 5.657 9.784 1.000 1.00 0.00 C ATOM 885 OH TYR A 58 6.758 10.609 1.029 1.00 0.00 O ATOM 0 H TYR A 58 0.902 7.835 2.943 1.00 0.00 H new ATOM 0 HA TYR A 58 1.017 8.860 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.230 6.574 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.293 6.552 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.898 9.063 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.252 7.388 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.862 10.538 2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.219 8.855 -0.840 1.00 0.00 H new ATOM 0 HH TYR A 58 7.314 10.440 0.240 1.00 0.00 H new ATOM 895 N VAL A 59 -0.770 6.207 1.008 1.00 0.00 N ATOM 896 CA VAL A 59 -1.810 5.309 0.519 1.00 0.00 C ATOM 897 C VAL A 59 -3.194 5.789 0.942 1.00 0.00 C ATOM 898 O VAL A 59 -3.344 6.458 1.964 1.00 0.00 O ATOM 899 CB VAL A 59 -1.598 3.873 1.034 1.00 0.00 C ATOM 900 CG1 VAL A 59 -0.192 3.391 0.708 1.00 0.00 C ATOM 901 CG2 VAL A 59 -1.863 3.798 2.530 1.00 0.00 C ATOM 0 H VAL A 59 -0.548 6.097 1.997 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.745 5.311 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.307 3.217 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.061 2.375 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.044 3.405 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.537 4.048 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.708 2.776 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.180 4.466 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.891 4.098 2.733 1.00 0.00 H new ATOM 911 N GLU A 60 -4.202 5.443 0.148 1.00 0.00 N ATOM 912 CA GLU A 60 -5.575 5.839 0.440 1.00 0.00 C ATOM 913 C GLU A 60 -6.480 4.617 0.564 1.00 0.00 C ATOM 914 O GLU A 60 -6.612 3.833 -0.375 1.00 0.00 O ATOM 915 CB GLU A 60 -6.104 6.771 -0.653 1.00 0.00 C ATOM 916 CG GLU A 60 -7.595 7.045 -0.550 1.00 0.00 C ATOM 917 CD GLU A 60 -7.984 8.383 -1.146 1.00 0.00 C ATOM 918 OE1 GLU A 60 -7.434 9.413 -0.701 1.00 0.00 O ATOM 919 OE2 GLU A 60 -8.839 8.402 -2.055 1.00 0.00 O ATOM 0 H GLU A 60 -4.094 4.890 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.578 6.369 1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.565 7.717 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.890 6.332 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.142 6.252 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.894 7.017 0.498 1.00 0.00 H new ATOM 926 N GLU A 61 -7.100 4.462 1.730 1.00 0.00 N ATOM 927 CA GLU A 61 -7.991 3.335 1.977 1.00 0.00 C ATOM 928 C GLU A 61 -9.033 3.212 0.869 1.00 0.00 C ATOM 929 O GLU A 61 -9.617 4.207 0.437 1.00 0.00 O ATOM 930 CB GLU A 61 -8.686 3.493 3.330 1.00 0.00 C ATOM 931 CG GLU A 61 -9.058 2.172 3.982 1.00 0.00 C ATOM 932 CD GLU A 61 -9.999 2.345 5.158 1.00 0.00 C ATOM 933 OE1 GLU A 61 -9.506 2.562 6.285 1.00 0.00 O ATOM 934 OE2 GLU A 61 -11.228 2.264 4.952 1.00 0.00 O ATOM 0 H GLU A 61 -7.001 5.103 2.518 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.390 2.426 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.032 4.049 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.588 4.090 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.525 1.524 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.151 1.669 4.318 1.00 0.00 H new ATOM 941 N LEU A 62 -9.260 1.985 0.412 1.00 0.00 N ATOM 942 CA LEU A 62 -10.231 1.731 -0.646 1.00 0.00 C ATOM 943 C LEU A 62 -11.288 0.732 -0.187 1.00 0.00 C ATOM 944 O LEU A 62 -11.044 -0.118 0.670 1.00 0.00 O ATOM 945 CB LEU A 62 -9.525 1.204 -1.897 1.00 0.00 C ATOM 946 CG LEU A 62 -8.539 2.163 -2.565 1.00 0.00 C ATOM 947 CD1 LEU A 62 -7.599 1.404 -3.489 1.00 0.00 C ATOM 948 CD2 LEU A 62 -9.284 3.246 -3.331 1.00 0.00 C ATOM 0 H LEU A 62 -8.785 1.151 0.758 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.726 2.672 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.991 0.292 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.284 0.927 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.943 2.641 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.905 2.103 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.040 0.667 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.178 0.898 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.566 3.919 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.906 2.786 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.915 3.810 -2.643 1.00 0.00 H new ATOM 960 N PRO A 63 -12.492 0.833 -0.770 1.00 0.00 N ATOM 961 CA PRO A 63 -13.610 -0.055 -0.438 1.00 0.00 C ATOM 962 C PRO A 63 -13.383 -1.481 -0.930 1.00 0.00 C ATOM 963 O PRO A 63 -12.571 -1.717 -1.824 1.00 0.00 O ATOM 964 CB PRO A 63 -14.796 0.580 -1.168 1.00 0.00 C ATOM 965 CG PRO A 63 -14.186 1.334 -2.298 1.00 0.00 C ATOM 966 CD PRO A 63 -12.854 1.822 -1.799 1.00 0.00 C ATOM 0 HA PRO A 63 -13.753 -0.145 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.491 -0.178 -1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.359 1.241 -0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.065 0.695 -3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.820 2.168 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.114 1.859 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.924 2.827 -1.383 1.00 0.00 H new ATOM 974 N SER A 64 -14.106 -2.427 -0.340 1.00 0.00 N ATOM 975 CA SER A 64 -13.981 -3.831 -0.716 1.00 0.00 C ATOM 976 C SER A 64 -13.740 -3.972 -2.216 1.00 0.00 C ATOM 977 O SER A 64 -14.401 -3.323 -3.025 1.00 0.00 O ATOM 978 CB SER A 64 -15.240 -4.602 -0.315 1.00 0.00 C ATOM 979 OG SER A 64 -15.434 -4.567 1.088 1.00 0.00 O ATOM 0 H SER A 64 -14.784 -2.247 0.400 1.00 0.00 H new ATOM 0 HA SER A 64 -13.124 -4.249 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.108 -4.173 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.158 -5.637 -0.648 1.00 0.00 H new ATOM 0 HG SER A 64 -16.246 -5.065 1.319 1.00 0.00 H new ATOM 985 N ASN A 65 -12.789 -4.826 -2.578 1.00 0.00 N ATOM 986 CA ASN A 65 -12.459 -5.053 -3.981 1.00 0.00 C ATOM 987 C ASN A 65 -13.298 -6.188 -4.560 1.00 0.00 C ATOM 988 O ASN A 65 -13.859 -6.998 -3.822 1.00 0.00 O ATOM 989 CB ASN A 65 -10.971 -5.376 -4.131 1.00 0.00 C ATOM 990 CG ASN A 65 -10.600 -6.700 -3.491 1.00 0.00 C ATOM 991 OD1 ASN A 65 -11.378 -7.654 -3.516 1.00 0.00 O ATOM 992 ND2 ASN A 65 -9.406 -6.764 -2.914 1.00 0.00 N ATOM 0 H ASN A 65 -12.233 -5.372 -1.920 1.00 0.00 H new ATOM 0 HA ASN A 65 -12.683 -4.140 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.712 -5.402 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.381 -4.579 -3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.101 -7.629 -2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.794 -5.948 -2.917 1.00 0.00 H new ATOM 999 N ALA A 66 -13.380 -6.239 -5.885 1.00 0.00 N ATOM 1000 CA ALA A 66 -14.148 -7.275 -6.564 1.00 0.00 C ATOM 1001 C ALA A 66 -13.625 -8.665 -6.213 1.00 0.00 C ATOM 1002 O ALA A 66 -14.384 -9.534 -5.786 1.00 0.00 O ATOM 1003 CB ALA A 66 -14.110 -7.060 -8.070 1.00 0.00 C ATOM 0 H ALA A 66 -12.924 -5.575 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.182 -7.207 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.688 -7.841 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.537 -6.086 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.077 -7.098 -8.417 1.00 0.00 H new ATOM 1009 N GLY A 67 -12.324 -8.866 -6.398 1.00 0.00 N ATOM 1010 CA GLY A 67 -11.723 -10.152 -6.096 1.00 0.00 C ATOM 1011 C GLY A 67 -10.367 -10.326 -6.750 1.00 0.00 C ATOM 1012 O GLY A 67 -9.796 -9.370 -7.274 1.00 0.00 O ATOM 0 H GLY A 67 -11.676 -8.162 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.618 -10.256 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.389 -10.948 -6.430 1.00 0.00 H new ATOM 1016 N ASN A 68 -9.849 -11.550 -6.719 1.00 0.00 N ATOM 1017 CA ASN A 68 -8.549 -11.845 -7.312 1.00 0.00 C ATOM 1018 C ASN A 68 -8.711 -12.549 -8.656 1.00 0.00 C ATOM 1019 O ASN A 68 -9.685 -13.269 -8.879 1.00 0.00 O ATOM 1020 CB ASN A 68 -7.719 -12.714 -6.365 1.00 0.00 C ATOM 1021 CG ASN A 68 -8.341 -14.077 -6.137 1.00 0.00 C ATOM 1022 OD1 ASN A 68 -8.028 -15.040 -6.837 1.00 0.00 O ATOM 1023 ND2 ASN A 68 -9.229 -14.165 -5.153 1.00 0.00 N ATOM 0 H ASN A 68 -10.309 -12.353 -6.290 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.030 -10.901 -7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.717 -12.839 -6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.610 -12.203 -5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.681 -15.057 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.458 -13.341 -4.598 1.00 0.00 H new ATOM 1030 N THR A 69 -7.750 -12.336 -9.549 1.00 0.00 N ATOM 1031 CA THR A 69 -7.786 -12.949 -10.871 1.00 0.00 C ATOM 1032 C THR A 69 -7.055 -14.287 -10.876 1.00 0.00 C ATOM 1033 O THR A 69 -6.354 -14.618 -11.832 1.00 0.00 O ATOM 1034 CB THR A 69 -7.157 -12.029 -11.934 1.00 0.00 C ATOM 1035 OG1 THR A 69 -7.705 -10.711 -11.827 1.00 0.00 O ATOM 1036 CG2 THR A 69 -7.402 -12.573 -13.334 1.00 0.00 C ATOM 0 H THR A 69 -6.937 -11.743 -9.381 1.00 0.00 H new ATOM 0 HA THR A 69 -8.836 -13.110 -11.117 1.00 0.00 H new ATOM 0 HB THR A 69 -6.082 -11.991 -11.759 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.299 -10.132 -12.505 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.949 -11.907 -14.068 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.958 -13.565 -13.422 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.475 -12.638 -13.517 1.00 0.00 H new ATOM 1044 N ALA A 70 -7.225 -15.053 -9.804 1.00 0.00 N ATOM 1045 CA ALA A 70 -6.583 -16.357 -9.687 1.00 0.00 C ATOM 1046 C ALA A 70 -7.618 -17.474 -9.616 1.00 0.00 C ATOM 1047 O ALA A 70 -8.589 -17.388 -8.864 1.00 0.00 O ATOM 1048 CB ALA A 70 -5.680 -16.393 -8.462 1.00 0.00 C ATOM 0 H ALA A 70 -7.802 -14.794 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.975 -16.516 -10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.207 -17.372 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.912 -15.625 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.274 -16.207 -7.567 1.00 0.00 H new ATOM 1054 N THR A 71 -7.405 -18.523 -10.405 1.00 0.00 N ATOM 1055 CA THR A 71 -8.321 -19.656 -10.433 1.00 0.00 C ATOM 1056 C THR A 71 -7.787 -20.815 -9.599 1.00 0.00 C ATOM 1057 O THR A 71 -6.591 -21.108 -9.617 1.00 0.00 O ATOM 1058 CB THR A 71 -8.566 -20.145 -11.873 1.00 0.00 C ATOM 1059 OG1 THR A 71 -8.903 -19.037 -12.715 1.00 0.00 O ATOM 1060 CG2 THR A 71 -9.683 -21.177 -11.911 1.00 0.00 C ATOM 0 H THR A 71 -6.606 -18.611 -11.033 1.00 0.00 H new ATOM 0 HA THR A 71 -9.264 -19.311 -10.009 1.00 0.00 H new ATOM 0 HB THR A 71 -7.650 -20.611 -12.237 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.056 -19.355 -13.629 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.838 -21.508 -12.938 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.410 -22.032 -11.292 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.602 -20.732 -11.530 1.00 0.00 H new ATOM 1068 N LYS A 72 -8.680 -21.473 -8.868 1.00 0.00 N ATOM 1069 CA LYS A 72 -8.300 -22.603 -8.028 1.00 0.00 C ATOM 1070 C LYS A 72 -9.272 -23.765 -8.206 1.00 0.00 C ATOM 1071 O LYS A 72 -10.462 -23.560 -8.442 1.00 0.00 O ATOM 1072 CB LYS A 72 -8.257 -22.180 -6.558 1.00 0.00 C ATOM 1073 CG LYS A 72 -6.930 -21.572 -6.138 1.00 0.00 C ATOM 1074 CD LYS A 72 -5.835 -22.623 -6.059 1.00 0.00 C ATOM 1075 CE LYS A 72 -5.825 -23.316 -4.705 1.00 0.00 C ATOM 1076 NZ LYS A 72 -6.816 -24.425 -4.642 1.00 0.00 N ATOM 0 H LYS A 72 -9.673 -21.243 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.307 -22.933 -8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.052 -21.458 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.463 -23.049 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.642 -20.798 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.041 -21.088 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.981 -23.362 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.867 -22.155 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.828 -23.708 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.044 -22.589 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.430 -25.204 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.696 -24.080 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.016 -24.767 -5.604 1.00 0.00 H new ATOM 1090 N ALA A 73 -8.757 -24.984 -8.089 1.00 0.00 N ATOM 1091 CA ALA A 73 -9.581 -26.178 -8.233 1.00 0.00 C ATOM 1092 C ALA A 73 -9.528 -27.037 -6.974 1.00 0.00 C ATOM 1093 O ALA A 73 -8.492 -27.615 -6.647 1.00 0.00 O ATOM 1094 CB ALA A 73 -9.133 -26.985 -9.443 1.00 0.00 C ATOM 0 H ALA A 73 -7.773 -25.171 -7.895 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.613 -25.861 -8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.757 -27.874 -9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.228 -26.376 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.092 -27.284 -9.316 1.00 0.00 H new ATOM 1100 N SER A 74 -10.653 -27.115 -6.269 1.00 0.00 N ATOM 1101 CA SER A 74 -10.734 -27.899 -5.043 1.00 0.00 C ATOM 1102 C SER A 74 -10.286 -29.337 -5.287 1.00 0.00 C ATOM 1103 O SER A 74 -10.922 -30.078 -6.034 1.00 0.00 O ATOM 1104 CB SER A 74 -12.162 -27.884 -4.496 1.00 0.00 C ATOM 1105 OG SER A 74 -12.265 -28.660 -3.315 1.00 0.00 O ATOM 0 H SER A 74 -11.521 -26.644 -6.527 1.00 0.00 H new ATOM 0 HA SER A 74 -10.067 -27.448 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.464 -26.858 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.847 -28.271 -5.250 1.00 0.00 H new ATOM 0 HG SER A 74 -13.187 -28.633 -2.985 1.00 0.00 H new ATOM 1111 N GLY A 75 -9.185 -29.723 -4.649 1.00 0.00 N ATOM 1112 CA GLY A 75 -8.669 -31.070 -4.809 1.00 0.00 C ATOM 1113 C GLY A 75 -7.155 -31.119 -4.779 1.00 0.00 C ATOM 1114 O GLY A 75 -6.491 -31.121 -5.816 1.00 0.00 O ATOM 0 H GLY A 75 -8.642 -29.127 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.066 -31.704 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.024 -31.482 -5.754 1.00 0.00 H new ATOM 1118 N PRO A 76 -6.584 -31.157 -3.565 1.00 0.00 N ATOM 1119 CA PRO A 76 -5.132 -31.206 -3.374 1.00 0.00 C ATOM 1120 C PRO A 76 -4.534 -32.541 -3.805 1.00 0.00 C ATOM 1121 O PRO A 76 -5.260 -33.499 -4.071 1.00 0.00 O ATOM 1122 CB PRO A 76 -4.966 -31.007 -1.865 1.00 0.00 C ATOM 1123 CG PRO A 76 -6.248 -31.485 -1.277 1.00 0.00 C ATOM 1124 CD PRO A 76 -7.314 -31.157 -2.286 1.00 0.00 C ATOM 0 HA PRO A 76 -4.617 -30.458 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.118 -31.575 -1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.785 -29.960 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.212 -32.557 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.448 -30.994 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.114 -31.897 -2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -7.773 -30.189 -2.085 1.00 0.00 H new ATOM 1132 N SER A 77 -3.208 -32.596 -3.871 1.00 0.00 N ATOM 1133 CA SER A 77 -2.513 -33.814 -4.273 1.00 0.00 C ATOM 1134 C SER A 77 -3.212 -35.049 -3.712 1.00 0.00 C ATOM 1135 O SER A 77 -3.434 -35.155 -2.505 1.00 0.00 O ATOM 1136 CB SER A 77 -1.059 -33.777 -3.799 1.00 0.00 C ATOM 1137 OG SER A 77 -0.304 -34.822 -4.387 1.00 0.00 O ATOM 0 H SER A 77 -2.593 -31.812 -3.652 1.00 0.00 H new ATOM 0 HA SER A 77 -2.531 -33.871 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.614 -32.815 -4.054 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.025 -33.866 -2.713 1.00 0.00 H new ATOM 0 HG SER A 77 0.622 -34.775 -4.069 1.00 0.00 H new ATOM 1143 N SER A 78 -3.555 -35.980 -4.595 1.00 0.00 N ATOM 1144 CA SER A 78 -4.232 -37.206 -4.190 1.00 0.00 C ATOM 1145 C SER A 78 -3.264 -38.154 -3.488 1.00 0.00 C ATOM 1146 O SER A 78 -2.047 -38.010 -3.596 1.00 0.00 O ATOM 1147 CB SER A 78 -4.849 -37.899 -5.406 1.00 0.00 C ATOM 1148 OG SER A 78 -5.882 -37.111 -5.972 1.00 0.00 O ATOM 0 H SER A 78 -3.375 -35.909 -5.597 1.00 0.00 H new ATOM 0 HA SER A 78 -5.025 -36.940 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.077 -38.084 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.248 -38.870 -5.112 1.00 0.00 H new ATOM 0 HG SER A 78 -6.259 -37.575 -6.749 1.00 0.00 H new ATOM 1154 N GLY A 79 -3.815 -39.125 -2.766 1.00 0.00 N ATOM 1155 CA GLY A 79 -2.988 -40.083 -2.056 1.00 0.00 C ATOM 1156 C GLY A 79 -3.668 -41.428 -1.892 1.00 0.00 C ATOM 1157 O GLY A 79 -3.619 -42.269 -2.789 1.00 0.00 O ATOM 0 H GLY A 79 -4.820 -39.265 -2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.050 -40.217 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.738 -39.684 -1.073 1.00 0.00 H new TER 1161 GLY A 79