USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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+ 131:sc= 0.0113 (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= -0.11 USER MOD Single : A 6 SER OG : rot 26:sc= 0.0801 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -61:sc= -0.404 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 115:sc= -0.911! USER MOD Single : A 36 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.54) USER MOD Single : A 37 GLN : amide:sc= -2.02 X(o=-2,f=-2.2) USER MOD Single : A 41 ASN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 178:sc= -0.0707 (180deg=-0.0748) USER MOD Single : A 48 HIS : no HD1:sc= -0.0621 X(o=-0.062,f=-0.19) USER MOD Single : A 50 HIS : no HD1:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 51 SER OG : rot 40:sc= 0.511 USER MOD Single : A 57 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.6!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.364 -7.190 20.570 1.00 0.00 N ATOM 2 CA GLY A 1 15.106 -7.189 19.323 1.00 0.00 C ATOM 3 C GLY A 1 15.286 -5.794 18.757 1.00 0.00 C ATOM 4 O GLY A 1 14.398 -4.950 18.873 1.00 0.00 O ATOM 0 H1 GLY A 1 13.607 -7.902 20.523 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.006 -7.419 21.356 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.947 -6.250 20.726 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.084 -7.641 19.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.586 -7.809 18.593 1.00 0.00 H new ATOM 8 N SER A 2 16.440 -5.551 18.144 1.00 0.00 N ATOM 9 CA SER A 2 16.737 -4.247 17.563 1.00 0.00 C ATOM 10 C SER A 2 16.599 -4.285 16.044 1.00 0.00 C ATOM 11 O SER A 2 17.475 -4.792 15.342 1.00 0.00 O ATOM 12 CB SER A 2 18.150 -3.803 17.947 1.00 0.00 C ATOM 13 OG SER A 2 18.371 -2.448 17.597 1.00 0.00 O ATOM 0 H SER A 2 17.184 -6.240 18.037 1.00 0.00 H new ATOM 0 HA SER A 2 16.019 -3.529 17.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.297 -3.934 19.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.882 -4.436 17.445 1.00 0.00 H new ATOM 0 HG SER A 2 19.280 -2.188 17.854 1.00 0.00 H new ATOM 19 N SER A 3 15.492 -3.747 15.543 1.00 0.00 N ATOM 20 CA SER A 3 15.236 -3.722 14.107 1.00 0.00 C ATOM 21 C SER A 3 16.183 -2.755 13.403 1.00 0.00 C ATOM 22 O SER A 3 16.755 -3.076 12.362 1.00 0.00 O ATOM 23 CB SER A 3 13.784 -3.323 13.834 1.00 0.00 C ATOM 24 OG SER A 3 13.348 -3.814 12.578 1.00 0.00 O ATOM 0 H SER A 3 14.758 -3.322 16.110 1.00 0.00 H new ATOM 0 HA SER A 3 15.410 -4.724 13.714 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.142 -3.713 14.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.692 -2.237 13.856 1.00 0.00 H new ATOM 0 HG SER A 3 12.417 -3.547 12.428 1.00 0.00 H new ATOM 30 N GLY A 4 16.342 -1.567 13.980 1.00 0.00 N ATOM 31 CA GLY A 4 17.220 -0.571 13.394 1.00 0.00 C ATOM 32 C GLY A 4 16.465 0.644 12.894 1.00 0.00 C ATOM 33 O GLY A 4 16.599 1.737 13.444 1.00 0.00 O ATOM 0 H GLY A 4 15.879 -1.277 14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.956 -0.258 14.135 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.771 -1.018 12.567 1.00 0.00 H new ATOM 37 N SER A 5 15.669 0.455 11.846 1.00 0.00 N ATOM 38 CA SER A 5 14.894 1.546 11.267 1.00 0.00 C ATOM 39 C SER A 5 13.618 1.020 10.617 1.00 0.00 C ATOM 40 O SER A 5 13.632 -0.005 9.935 1.00 0.00 O ATOM 41 CB SER A 5 15.731 2.303 10.235 1.00 0.00 C ATOM 42 OG SER A 5 16.988 2.677 10.772 1.00 0.00 O ATOM 0 H SER A 5 15.544 -0.444 11.381 1.00 0.00 H new ATOM 0 HA SER A 5 14.617 2.229 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.880 1.678 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.193 3.193 9.908 1.00 0.00 H new ATOM 0 HG SER A 5 17.504 3.158 10.092 1.00 0.00 H new ATOM 48 N SER A 6 12.515 1.730 10.834 1.00 0.00 N ATOM 49 CA SER A 6 11.229 1.334 10.273 1.00 0.00 C ATOM 50 C SER A 6 10.377 2.558 9.951 1.00 0.00 C ATOM 51 O SER A 6 10.410 3.557 10.667 1.00 0.00 O ATOM 52 CB SER A 6 10.482 0.421 11.248 1.00 0.00 C ATOM 53 OG SER A 6 10.855 -0.934 11.066 1.00 0.00 O ATOM 0 H SER A 6 12.487 2.582 11.394 1.00 0.00 H new ATOM 0 HA SER A 6 11.417 0.789 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.696 0.726 12.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.407 0.528 11.101 1.00 0.00 H new ATOM 0 HG SER A 6 11.759 -0.977 10.689 1.00 0.00 H new ATOM 59 N GLY A 7 9.612 2.470 8.866 1.00 0.00 N ATOM 60 CA GLY A 7 8.762 3.576 8.467 1.00 0.00 C ATOM 61 C GLY A 7 7.302 3.180 8.371 1.00 0.00 C ATOM 62 O GLY A 7 6.862 2.199 8.972 1.00 0.00 O ATOM 0 H GLY A 7 9.566 1.653 8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.868 4.389 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.096 3.957 7.502 1.00 0.00 H new ATOM 66 N PRO A 8 6.524 3.956 7.602 1.00 0.00 N ATOM 67 CA PRO A 8 5.093 3.701 7.413 1.00 0.00 C ATOM 68 C PRO A 8 4.832 2.447 6.584 1.00 0.00 C ATOM 69 O PRO A 8 5.344 2.309 5.472 1.00 0.00 O ATOM 70 CB PRO A 8 4.606 4.946 6.667 1.00 0.00 C ATOM 71 CG PRO A 8 5.814 5.463 5.965 1.00 0.00 C ATOM 72 CD PRO A 8 6.981 5.141 6.857 1.00 0.00 C ATOM 0 HA PRO A 8 4.582 3.527 8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.813 4.700 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.201 5.687 7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.928 4.993 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.737 6.537 5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.882 4.930 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.217 5.969 7.525 1.00 0.00 H new ATOM 80 N CYS A 9 4.033 1.538 7.131 1.00 0.00 N ATOM 81 CA CYS A 9 3.705 0.295 6.441 1.00 0.00 C ATOM 82 C CYS A 9 2.235 -0.063 6.637 1.00 0.00 C ATOM 83 O CYS A 9 1.601 0.377 7.597 1.00 0.00 O ATOM 84 CB CYS A 9 4.592 -0.843 6.948 1.00 0.00 C ATOM 85 SG CYS A 9 4.452 -1.153 8.724 1.00 0.00 S ATOM 0 H CYS A 9 3.600 1.638 8.049 1.00 0.00 H new ATOM 0 HA CYS A 9 3.886 0.440 5.376 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.337 -1.756 6.410 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.631 -0.613 6.711 1.00 0.00 H new ATOM 0 HG CYS A 9 5.238 -2.134 9.057 1.00 0.00 H new ATOM 91 N CYS A 10 1.700 -0.862 5.721 1.00 0.00 N ATOM 92 CA CYS A 10 0.303 -1.278 5.791 1.00 0.00 C ATOM 93 C CYS A 10 0.179 -2.792 5.658 1.00 0.00 C ATOM 94 O CYS A 10 1.077 -3.455 5.139 1.00 0.00 O ATOM 95 CB CYS A 10 -0.511 -0.589 4.695 1.00 0.00 C ATOM 96 SG CYS A 10 -0.215 -1.242 3.035 1.00 0.00 S ATOM 0 H CYS A 10 2.212 -1.235 4.921 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.090 -0.984 6.764 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.571 -0.687 4.929 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.280 0.476 4.701 1.00 0.00 H new ATOM 0 HG CYS A 10 1.035 -1.077 2.720 1.00 0.00 H new ATOM 102 N ARG A 11 -0.938 -3.333 6.133 1.00 0.00 N ATOM 103 CA ARG A 11 -1.178 -4.770 6.070 1.00 0.00 C ATOM 104 C ARG A 11 -2.377 -5.082 5.180 1.00 0.00 C ATOM 105 O ARG A 11 -3.393 -4.388 5.223 1.00 0.00 O ATOM 106 CB ARG A 11 -1.412 -5.331 7.474 1.00 0.00 C ATOM 107 CG ARG A 11 -1.952 -6.752 7.479 1.00 0.00 C ATOM 108 CD ARG A 11 -2.043 -7.307 8.892 1.00 0.00 C ATOM 109 NE ARG A 11 -0.744 -7.323 9.559 1.00 0.00 N ATOM 110 CZ ARG A 11 -0.235 -6.278 10.201 1.00 0.00 C ATOM 111 NH1 ARG A 11 -0.912 -5.139 10.263 1.00 0.00 N ATOM 112 NH2 ARG A 11 0.953 -6.370 10.784 1.00 0.00 N ATOM 0 H ARG A 11 -1.691 -2.798 6.566 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.295 -5.242 5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.473 -5.306 8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.111 -4.684 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.938 -6.769 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.306 -7.390 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.741 -6.705 9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.446 -8.319 8.858 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.198 -8.184 9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.826 -5.064 9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.518 -4.338 10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.477 -7.244 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.343 -5.567 11.277 1.00 0.00 H new ATOM 126 N ALA A 12 -2.251 -6.130 4.372 1.00 0.00 N ATOM 127 CA ALA A 12 -3.325 -6.535 3.473 1.00 0.00 C ATOM 128 C ALA A 12 -4.357 -7.390 4.200 1.00 0.00 C ATOM 129 O ALA A 12 -4.008 -8.344 4.897 1.00 0.00 O ATOM 130 CB ALA A 12 -2.757 -7.290 2.280 1.00 0.00 C ATOM 0 H ALA A 12 -1.416 -6.714 4.322 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.825 -5.635 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.570 -7.587 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.063 -6.646 1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.231 -8.178 2.629 1.00 0.00 H new ATOM 136 N LEU A 13 -5.628 -7.043 4.034 1.00 0.00 N ATOM 137 CA LEU A 13 -6.712 -7.779 4.676 1.00 0.00 C ATOM 138 C LEU A 13 -7.160 -8.952 3.811 1.00 0.00 C ATOM 139 O LEU A 13 -7.770 -9.902 4.303 1.00 0.00 O ATOM 140 CB LEU A 13 -7.896 -6.849 4.947 1.00 0.00 C ATOM 141 CG LEU A 13 -7.626 -5.677 5.891 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.712 -4.620 5.754 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.531 -6.162 7.330 1.00 0.00 C ATOM 0 H LEU A 13 -5.934 -6.257 3.461 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.341 -8.170 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.244 -6.450 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.711 -7.443 5.361 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.672 -5.227 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.503 -3.794 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.733 -4.251 4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.679 -5.058 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.339 -5.314 7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.469 -6.638 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.717 -6.882 7.418 1.00 0.00 H new ATOM 155 N TYR A 14 -6.852 -8.881 2.521 1.00 0.00 N ATOM 156 CA TYR A 14 -7.223 -9.937 1.587 1.00 0.00 C ATOM 157 C TYR A 14 -6.233 -10.012 0.428 1.00 0.00 C ATOM 158 O TYR A 14 -5.229 -9.300 0.407 1.00 0.00 O ATOM 159 CB TYR A 14 -8.636 -9.700 1.051 1.00 0.00 C ATOM 160 CG TYR A 14 -9.711 -9.817 2.108 1.00 0.00 C ATOM 161 CD1 TYR A 14 -9.924 -11.013 2.782 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.513 -8.730 2.433 1.00 0.00 C ATOM 163 CE1 TYR A 14 -10.906 -11.123 3.747 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.496 -8.831 3.398 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.689 -10.030 4.052 1.00 0.00 C ATOM 166 OH TYR A 14 -12.668 -10.136 5.014 1.00 0.00 O ATOM 0 H TYR A 14 -6.346 -8.103 2.098 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.200 -10.886 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.684 -8.707 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.840 -10.418 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.312 -11.871 2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.365 -7.790 1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.060 -12.061 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.110 -7.976 3.639 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.128 -9.276 5.109 1.00 0.00 H new ATOM 176 N ASP A 15 -6.525 -10.879 -0.535 1.00 0.00 N ATOM 177 CA ASP A 15 -5.663 -11.047 -1.700 1.00 0.00 C ATOM 178 C ASP A 15 -6.212 -10.278 -2.897 1.00 0.00 C ATOM 179 O ASP A 15 -7.424 -10.206 -3.099 1.00 0.00 O ATOM 180 CB ASP A 15 -5.526 -12.530 -2.049 1.00 0.00 C ATOM 181 CG ASP A 15 -4.858 -13.326 -0.945 1.00 0.00 C ATOM 182 OD1 ASP A 15 -3.610 -13.344 -0.898 1.00 0.00 O ATOM 183 OD2 ASP A 15 -5.584 -13.929 -0.128 1.00 0.00 O ATOM 0 H ASP A 15 -7.352 -11.476 -0.532 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.679 -10.647 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.514 -12.946 -2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.948 -12.632 -2.967 1.00 0.00 H new ATOM 188 N PHE A 16 -5.312 -9.704 -3.688 1.00 0.00 N ATOM 189 CA PHE A 16 -5.706 -8.938 -4.865 1.00 0.00 C ATOM 190 C PHE A 16 -4.746 -9.190 -6.024 1.00 0.00 C ATOM 191 O PHE A 16 -3.529 -9.097 -5.867 1.00 0.00 O ATOM 192 CB PHE A 16 -5.746 -7.444 -4.537 1.00 0.00 C ATOM 193 CG PHE A 16 -5.907 -6.569 -5.747 1.00 0.00 C ATOM 194 CD1 PHE A 16 -7.067 -6.617 -6.504 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.899 -5.699 -6.129 1.00 0.00 C ATOM 196 CE1 PHE A 16 -7.218 -5.813 -7.618 1.00 0.00 C ATOM 197 CE2 PHE A 16 -5.044 -4.892 -7.242 1.00 0.00 C ATOM 198 CZ PHE A 16 -6.205 -4.949 -7.987 1.00 0.00 C ATOM 0 H PHE A 16 -4.305 -9.755 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.702 -9.264 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.569 -7.253 -3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.827 -7.169 -4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.862 -7.290 -6.220 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.989 -5.651 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.127 -5.860 -8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.250 -4.218 -7.528 1.00 0.00 H new ATOM 0 HZ PHE A 16 -6.321 -4.319 -8.857 1.00 0.00 H new ATOM 208 N GLU A 17 -5.304 -9.510 -7.188 1.00 0.00 N ATOM 209 CA GLU A 17 -4.497 -9.777 -8.373 1.00 0.00 C ATOM 210 C GLU A 17 -4.537 -8.594 -9.336 1.00 0.00 C ATOM 211 O GLU A 17 -5.557 -7.923 -9.492 1.00 0.00 O ATOM 212 CB GLU A 17 -4.992 -11.041 -9.080 1.00 0.00 C ATOM 213 CG GLU A 17 -4.918 -12.289 -8.217 1.00 0.00 C ATOM 214 CD GLU A 17 -3.555 -12.953 -8.266 1.00 0.00 C ATOM 215 OE1 GLU A 17 -2.580 -12.275 -8.653 1.00 0.00 O ATOM 216 OE2 GLU A 17 -3.464 -14.149 -7.919 1.00 0.00 O ATOM 0 H GLU A 17 -6.310 -9.590 -7.335 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.466 -9.928 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.024 -10.889 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.401 -11.198 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.153 -12.027 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.676 -12.999 -8.547 1.00 0.00 H new ATOM 223 N PRO A 18 -3.400 -8.331 -9.997 1.00 0.00 N ATOM 224 CA PRO A 18 -3.278 -7.229 -10.956 1.00 0.00 C ATOM 225 C PRO A 18 -4.077 -7.479 -12.231 1.00 0.00 C ATOM 226 O PRO A 18 -4.012 -8.562 -12.812 1.00 0.00 O ATOM 227 CB PRO A 18 -1.779 -7.190 -11.263 1.00 0.00 C ATOM 228 CG PRO A 18 -1.300 -8.574 -10.991 1.00 0.00 C ATOM 229 CD PRO A 18 -2.145 -9.090 -9.860 1.00 0.00 C ATOM 0 HA PRO A 18 -3.669 -6.294 -10.555 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.594 -6.904 -12.298 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.265 -6.463 -10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.404 -9.204 -11.875 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.244 -8.575 -10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.314 -10.164 -9.942 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.673 -8.915 -8.893 1.00 0.00 H new ATOM 237 N GLU A 19 -4.829 -6.470 -12.660 1.00 0.00 N ATOM 238 CA GLU A 19 -5.640 -6.582 -13.866 1.00 0.00 C ATOM 239 C GLU A 19 -5.001 -5.821 -15.024 1.00 0.00 C ATOM 240 O GLU A 19 -5.076 -6.245 -16.177 1.00 0.00 O ATOM 241 CB GLU A 19 -7.051 -6.051 -13.610 1.00 0.00 C ATOM 242 CG GLU A 19 -7.889 -6.954 -12.719 1.00 0.00 C ATOM 243 CD GLU A 19 -9.378 -6.783 -12.951 1.00 0.00 C ATOM 244 OE1 GLU A 19 -9.984 -5.912 -12.293 1.00 0.00 O ATOM 245 OE2 GLU A 19 -9.936 -7.521 -13.789 1.00 0.00 O ATOM 0 H GLU A 19 -4.893 -5.567 -12.190 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.700 -7.636 -14.136 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.981 -5.065 -13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.561 -5.923 -14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.614 -7.993 -12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.661 -6.741 -11.675 1.00 0.00 H new ATOM 252 N ASN A 20 -4.372 -4.694 -14.708 1.00 0.00 N ATOM 253 CA ASN A 20 -3.720 -3.872 -15.722 1.00 0.00 C ATOM 254 C ASN A 20 -2.228 -3.736 -15.435 1.00 0.00 C ATOM 255 O ASN A 20 -1.794 -3.844 -14.289 1.00 0.00 O ATOM 256 CB ASN A 20 -4.368 -2.487 -15.779 1.00 0.00 C ATOM 257 CG ASN A 20 -5.881 -2.559 -15.840 1.00 0.00 C ATOM 258 OD1 ASN A 20 -6.446 -3.321 -16.624 1.00 0.00 O ATOM 259 ND2 ASN A 20 -6.545 -1.762 -15.010 1.00 0.00 N ATOM 0 H ASN A 20 -4.300 -4.329 -13.758 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.843 -4.364 -16.687 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.069 -1.913 -14.902 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.997 -1.951 -16.653 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.565 -1.766 -15.006 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.035 -1.146 -14.377 1.00 0.00 H new ATOM 266 N GLU A 21 -1.448 -3.499 -16.485 1.00 0.00 N ATOM 267 CA GLU A 21 -0.004 -3.349 -16.346 1.00 0.00 C ATOM 268 C GLU A 21 0.335 -2.365 -15.230 1.00 0.00 C ATOM 269 O GLU A 21 -0.271 -1.300 -15.121 1.00 0.00 O ATOM 270 CB GLU A 21 0.611 -2.874 -17.664 1.00 0.00 C ATOM 271 CG GLU A 21 0.630 -3.940 -18.746 1.00 0.00 C ATOM 272 CD GLU A 21 1.239 -3.445 -20.043 1.00 0.00 C ATOM 273 OE1 GLU A 21 2.187 -2.635 -19.983 1.00 0.00 O ATOM 274 OE2 GLU A 21 0.766 -3.867 -21.119 1.00 0.00 O ATOM 0 H GLU A 21 -1.792 -3.407 -17.441 1.00 0.00 H new ATOM 0 HA GLU A 21 0.414 -4.322 -16.089 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.052 -2.011 -18.026 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.631 -2.538 -17.479 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.193 -4.803 -18.391 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.389 -4.280 -18.934 1.00 0.00 H new ATOM 281 N GLY A 22 1.309 -2.731 -14.402 1.00 0.00 N ATOM 282 CA GLY A 22 1.712 -1.871 -13.304 1.00 0.00 C ATOM 283 C GLY A 22 1.107 -2.296 -11.982 1.00 0.00 C ATOM 284 O GLY A 22 1.793 -2.332 -10.961 1.00 0.00 O ATOM 0 H GLY A 22 1.826 -3.607 -14.472 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.799 -1.878 -13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.415 -0.845 -13.523 1.00 0.00 H new ATOM 288 N GLU A 23 -0.183 -2.618 -11.999 1.00 0.00 N ATOM 289 CA GLU A 23 -0.880 -3.041 -10.790 1.00 0.00 C ATOM 290 C GLU A 23 0.041 -3.855 -9.887 1.00 0.00 C ATOM 291 O GLU A 23 0.788 -4.715 -10.356 1.00 0.00 O ATOM 292 CB GLU A 23 -2.118 -3.865 -11.150 1.00 0.00 C ATOM 293 CG GLU A 23 -3.236 -3.044 -11.771 1.00 0.00 C ATOM 294 CD GLU A 23 -3.602 -1.831 -10.937 1.00 0.00 C ATOM 295 OE1 GLU A 23 -2.850 -0.835 -10.980 1.00 0.00 O ATOM 296 OE2 GLU A 23 -4.638 -1.879 -10.242 1.00 0.00 O ATOM 0 H GLU A 23 -0.766 -2.594 -12.836 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.192 -2.147 -10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.830 -4.654 -11.844 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.493 -4.353 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.933 -2.718 -12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.117 -3.673 -11.896 1.00 0.00 H new ATOM 303 N LEU A 24 -0.017 -3.579 -8.589 1.00 0.00 N ATOM 304 CA LEU A 24 0.812 -4.285 -7.618 1.00 0.00 C ATOM 305 C LEU A 24 -0.023 -5.261 -6.796 1.00 0.00 C ATOM 306 O LEU A 24 -0.605 -4.891 -5.777 1.00 0.00 O ATOM 307 CB LEU A 24 1.509 -3.287 -6.692 1.00 0.00 C ATOM 308 CG LEU A 24 2.393 -3.889 -5.599 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.686 -4.426 -6.194 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.688 -2.856 -4.522 1.00 0.00 C ATOM 0 H LEU A 24 -0.630 -2.871 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 24 1.566 -4.852 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.121 -2.623 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.747 -2.670 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 24 1.856 -4.719 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.302 -4.850 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.456 -5.198 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.228 -3.614 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.318 -3.302 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.205 -2.005 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.753 -2.519 -4.075 1.00 0.00 H new ATOM 322 N GLY A 25 -0.076 -6.511 -7.246 1.00 0.00 N ATOM 323 CA GLY A 25 -0.840 -7.522 -6.539 1.00 0.00 C ATOM 324 C GLY A 25 -0.246 -7.858 -5.186 1.00 0.00 C ATOM 325 O GLY A 25 0.948 -8.139 -5.076 1.00 0.00 O ATOM 0 H GLY A 25 0.396 -6.841 -8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.864 -7.172 -6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.889 -8.426 -7.146 1.00 0.00 H new ATOM 329 N PHE A 26 -1.079 -7.828 -4.151 1.00 0.00 N ATOM 330 CA PHE A 26 -0.628 -8.129 -2.797 1.00 0.00 C ATOM 331 C PHE A 26 -1.230 -9.441 -2.303 1.00 0.00 C ATOM 332 O PHE A 26 -1.930 -10.134 -3.042 1.00 0.00 O ATOM 333 CB PHE A 26 -1.007 -6.992 -1.846 1.00 0.00 C ATOM 334 CG PHE A 26 -2.451 -6.589 -1.938 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.455 -7.480 -1.596 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.804 -5.320 -2.367 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.785 -7.112 -1.678 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.132 -4.946 -2.451 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.124 -5.844 -2.108 1.00 0.00 C ATOM 0 H PHE A 26 -2.070 -7.598 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 26 0.457 -8.231 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.788 -7.297 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.382 -6.125 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.196 -8.474 -1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.033 -4.615 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.558 -7.815 -1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.394 -3.953 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.162 -5.555 -2.176 1.00 0.00 H new ATOM 349 N LYS A 27 -0.950 -9.778 -1.048 1.00 0.00 N ATOM 350 CA LYS A 27 -1.463 -11.006 -0.453 1.00 0.00 C ATOM 351 C LYS A 27 -1.771 -10.806 1.028 1.00 0.00 C ATOM 352 O LYS A 27 -0.952 -10.271 1.774 1.00 0.00 O ATOM 353 CB LYS A 27 -0.451 -12.141 -0.624 1.00 0.00 C ATOM 354 CG LYS A 27 -0.538 -12.835 -1.973 1.00 0.00 C ATOM 355 CD LYS A 27 0.367 -12.174 -2.999 1.00 0.00 C ATOM 356 CE LYS A 27 1.778 -12.740 -2.945 1.00 0.00 C ATOM 357 NZ LYS A 27 2.705 -12.005 -3.850 1.00 0.00 N ATOM 0 H LYS A 27 -0.370 -9.217 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.387 -11.270 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.555 -11.742 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.606 -12.877 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.260 -13.883 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.568 -12.814 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.046 -12.319 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.398 -11.099 -2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.151 -12.688 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.758 -13.794 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.656 -12.421 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.363 -12.076 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.744 -11.005 -3.569 1.00 0.00 H new ATOM 371 N GLU A 28 -2.957 -11.239 1.445 1.00 0.00 N ATOM 372 CA GLU A 28 -3.371 -11.107 2.836 1.00 0.00 C ATOM 373 C GLU A 28 -2.225 -11.457 3.781 1.00 0.00 C ATOM 374 O GLU A 28 -1.846 -12.620 3.910 1.00 0.00 O ATOM 375 CB GLU A 28 -4.575 -12.008 3.121 1.00 0.00 C ATOM 376 CG GLU A 28 -5.153 -11.829 4.515 1.00 0.00 C ATOM 377 CD GLU A 28 -5.798 -13.094 5.045 1.00 0.00 C ATOM 378 OE1 GLU A 28 -5.109 -14.135 5.096 1.00 0.00 O ATOM 379 OE2 GLU A 28 -6.992 -13.045 5.409 1.00 0.00 O ATOM 0 H GLU A 28 -3.647 -11.684 0.839 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.655 -10.069 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.353 -11.804 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.278 -13.049 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.361 -11.517 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.892 -11.028 4.498 1.00 0.00 H new ATOM 386 N GLY A 29 -1.677 -10.441 4.440 1.00 0.00 N ATOM 387 CA GLY A 29 -0.580 -10.661 5.364 1.00 0.00 C ATOM 388 C GLY A 29 0.687 -9.945 4.940 1.00 0.00 C ATOM 389 O GLY A 29 1.404 -9.391 5.774 1.00 0.00 O ATOM 0 H GLY A 29 -1.973 -9.469 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.872 -10.320 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.382 -11.730 5.440 1.00 0.00 H new ATOM 393 N ASP A 30 0.965 -9.956 3.641 1.00 0.00 N ATOM 394 CA ASP A 30 2.155 -9.303 3.108 1.00 0.00 C ATOM 395 C ASP A 30 2.098 -7.796 3.341 1.00 0.00 C ATOM 396 O ASP A 30 1.144 -7.132 2.937 1.00 0.00 O ATOM 397 CB ASP A 30 2.297 -9.596 1.614 1.00 0.00 C ATOM 398 CG ASP A 30 3.036 -10.892 1.346 1.00 0.00 C ATOM 399 OD1 ASP A 30 3.989 -11.197 2.093 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.662 -11.601 0.388 1.00 0.00 O ATOM 0 H ASP A 30 0.382 -10.410 2.938 1.00 0.00 H new ATOM 0 HA ASP A 30 3.024 -9.701 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.307 -9.645 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.827 -8.773 1.134 1.00 0.00 H new ATOM 405 N ILE A 31 3.126 -7.265 3.995 1.00 0.00 N ATOM 406 CA ILE A 31 3.192 -5.837 4.281 1.00 0.00 C ATOM 407 C ILE A 31 3.716 -5.059 3.078 1.00 0.00 C ATOM 408 O ILE A 31 4.797 -5.346 2.564 1.00 0.00 O ATOM 409 CB ILE A 31 4.093 -5.548 5.496 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.556 -6.264 6.738 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.186 -4.050 5.742 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.181 -5.796 7.158 1.00 0.00 C ATOM 0 H ILE A 31 3.924 -7.801 4.336 1.00 0.00 H new ATOM 0 HA ILE A 31 2.176 -5.513 4.506 1.00 0.00 H new ATOM 0 HB ILE A 31 5.094 -5.925 5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.522 -7.336 6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.251 -6.112 7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.826 -3.862 6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.608 -3.562 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.190 -3.651 5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.864 -6.346 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.213 -4.730 7.385 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.473 -5.974 6.348 1.00 0.00 H new ATOM 424 N ILE A 32 2.943 -4.073 2.636 1.00 0.00 N ATOM 425 CA ILE A 32 3.330 -3.252 1.496 1.00 0.00 C ATOM 426 C ILE A 32 3.930 -1.926 1.952 1.00 0.00 C ATOM 427 O ILE A 32 3.241 -1.087 2.534 1.00 0.00 O ATOM 428 CB ILE A 32 2.131 -2.969 0.572 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.487 -4.282 0.120 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.570 -2.147 -0.630 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.398 -4.772 1.049 1.00 0.00 C ATOM 0 H ILE A 32 2.045 -3.823 3.050 1.00 0.00 H new ATOM 0 HA ILE A 32 4.080 -3.816 0.941 1.00 0.00 H new ATOM 0 HB ILE A 32 1.390 -2.395 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.069 -4.148 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.259 -5.048 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.711 -1.956 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.987 -1.199 -0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.327 -2.696 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.013 -5.706 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.815 -4.939 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.393 -4.025 1.108 1.00 0.00 H new ATOM 443 N THR A 33 5.219 -1.742 1.682 1.00 0.00 N ATOM 444 CA THR A 33 5.912 -0.518 2.064 1.00 0.00 C ATOM 445 C THR A 33 5.211 0.711 1.495 1.00 0.00 C ATOM 446 O THR A 33 4.513 0.628 0.484 1.00 0.00 O ATOM 447 CB THR A 33 7.375 -0.528 1.583 1.00 0.00 C ATOM 448 OG1 THR A 33 8.069 -1.645 2.150 1.00 0.00 O ATOM 449 CG2 THR A 33 8.081 0.763 1.970 1.00 0.00 C ATOM 0 H THR A 33 5.804 -2.425 1.200 1.00 0.00 H new ATOM 0 HA THR A 33 5.895 -0.472 3.153 1.00 0.00 H new ATOM 0 HB THR A 33 7.376 -0.613 0.496 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.998 -1.645 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.113 0.733 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.568 1.609 1.514 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.069 0.873 3.054 1.00 0.00 H new ATOM 457 N LEU A 34 5.401 1.850 2.151 1.00 0.00 N ATOM 458 CA LEU A 34 4.787 3.098 1.711 1.00 0.00 C ATOM 459 C LEU A 34 5.850 4.127 1.341 1.00 0.00 C ATOM 460 O LEU A 34 6.766 4.397 2.118 1.00 0.00 O ATOM 461 CB LEU A 34 3.879 3.658 2.807 1.00 0.00 C ATOM 462 CG LEU A 34 2.615 2.851 3.108 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.006 3.288 4.432 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.606 3.001 1.979 1.00 0.00 C ATOM 0 H LEU A 34 5.975 1.935 2.990 1.00 0.00 H new ATOM 0 HA LEU A 34 4.188 2.886 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.460 3.741 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.583 4.668 2.525 1.00 0.00 H new ATOM 0 HG LEU A 34 2.888 1.799 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.108 2.703 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.727 3.129 5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.747 4.346 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.713 2.420 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.337 4.052 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.044 2.639 1.049 1.00 0.00 H new ATOM 476 N THR A 35 5.722 4.701 0.148 1.00 0.00 N ATOM 477 CA THR A 35 6.670 5.702 -0.325 1.00 0.00 C ATOM 478 C THR A 35 5.966 7.010 -0.664 1.00 0.00 C ATOM 479 O THR A 35 6.368 8.079 -0.208 1.00 0.00 O ATOM 480 CB THR A 35 7.436 5.207 -1.566 1.00 0.00 C ATOM 481 OG1 THR A 35 6.521 4.959 -2.640 1.00 0.00 O ATOM 482 CG2 THR A 35 8.213 3.937 -1.252 1.00 0.00 C ATOM 0 H THR A 35 4.970 4.489 -0.508 1.00 0.00 H new ATOM 0 HA THR A 35 7.378 5.874 0.485 1.00 0.00 H new ATOM 0 HB THR A 35 8.142 5.982 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.703 5.582 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.746 3.607 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.929 4.136 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.522 3.157 -0.933 1.00 0.00 H new ATOM 490 N ASN A 36 4.912 6.918 -1.468 1.00 0.00 N ATOM 491 CA ASN A 36 4.151 8.096 -1.869 1.00 0.00 C ATOM 492 C ASN A 36 2.740 7.710 -2.304 1.00 0.00 C ATOM 493 O ASN A 36 2.413 6.528 -2.403 1.00 0.00 O ATOM 494 CB ASN A 36 4.865 8.827 -3.007 1.00 0.00 C ATOM 495 CG ASN A 36 5.887 9.826 -2.501 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.573 10.693 -1.685 1.00 0.00 O ATOM 497 ND2 ASN A 36 7.119 9.709 -2.984 1.00 0.00 N ATOM 0 H ASN A 36 4.565 6.040 -1.855 1.00 0.00 H new ATOM 0 HA ASN A 36 4.078 8.761 -1.008 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.360 8.098 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.128 9.345 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.849 10.353 -2.680 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.335 8.975 -3.659 1.00 0.00 H new ATOM 504 N GLN A 37 1.910 8.716 -2.561 1.00 0.00 N ATOM 505 CA GLN A 37 0.535 8.481 -2.985 1.00 0.00 C ATOM 506 C GLN A 37 0.237 9.207 -4.293 1.00 0.00 C ATOM 507 O GLN A 37 0.554 10.387 -4.445 1.00 0.00 O ATOM 508 CB GLN A 37 -0.441 8.940 -1.900 1.00 0.00 C ATOM 509 CG GLN A 37 -1.898 8.885 -2.329 1.00 0.00 C ATOM 510 CD GLN A 37 -2.749 9.936 -1.644 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.316 11.073 -1.451 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.967 9.562 -1.272 1.00 0.00 N ATOM 0 H GLN A 37 2.166 9.700 -2.483 1.00 0.00 H new ATOM 0 HA GLN A 37 0.410 7.411 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.308 8.317 -1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.195 9.961 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.960 9.020 -3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.301 7.897 -2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.285 8.610 -1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.585 10.227 -0.807 1.00 0.00 H new ATOM 521 N ILE A 38 -0.372 8.494 -5.234 1.00 0.00 N ATOM 522 CA ILE A 38 -0.713 9.070 -6.529 1.00 0.00 C ATOM 523 C ILE A 38 -2.195 9.418 -6.603 1.00 0.00 C ATOM 524 O ILE A 38 -2.568 10.497 -7.064 1.00 0.00 O ATOM 525 CB ILE A 38 -0.364 8.111 -7.682 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.150 7.913 -7.770 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.912 8.643 -8.998 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.661 6.769 -6.922 1.00 0.00 C ATOM 0 H ILE A 38 -0.640 7.516 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.123 9.980 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.826 7.144 -7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.425 7.735 -8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.647 8.833 -7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.657 7.954 -9.803 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.996 8.736 -8.930 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.476 9.620 -9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.742 6.688 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.417 6.954 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.192 5.839 -7.244 1.00 0.00 H new ATOM 540 N ASP A 39 -3.037 8.499 -6.144 1.00 0.00 N ATOM 541 CA ASP A 39 -4.480 8.709 -6.154 1.00 0.00 C ATOM 542 C ASP A 39 -4.995 9.015 -4.752 1.00 0.00 C ATOM 543 O ASP A 39 -4.223 9.069 -3.795 1.00 0.00 O ATOM 544 CB ASP A 39 -5.192 7.477 -6.715 1.00 0.00 C ATOM 545 CG ASP A 39 -6.570 7.802 -7.258 1.00 0.00 C ATOM 546 OD1 ASP A 39 -6.654 8.569 -8.240 1.00 0.00 O ATOM 547 OD2 ASP A 39 -7.564 7.290 -6.701 1.00 0.00 O ATOM 0 H ASP A 39 -2.745 7.600 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.693 9.565 -6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.586 7.040 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.282 6.724 -5.932 1.00 0.00 H new ATOM 552 N GLU A 40 -6.304 9.215 -4.638 1.00 0.00 N ATOM 553 CA GLU A 40 -6.921 9.517 -3.352 1.00 0.00 C ATOM 554 C GLU A 40 -7.298 8.236 -2.614 1.00 0.00 C ATOM 555 O GLU A 40 -7.598 8.259 -1.421 1.00 0.00 O ATOM 556 CB GLU A 40 -8.163 10.389 -3.549 1.00 0.00 C ATOM 557 CG GLU A 40 -9.070 9.911 -4.670 1.00 0.00 C ATOM 558 CD GLU A 40 -8.710 10.519 -6.012 1.00 0.00 C ATOM 559 OE1 GLU A 40 -7.730 11.291 -6.069 1.00 0.00 O ATOM 560 OE2 GLU A 40 -9.407 10.223 -7.005 1.00 0.00 O ATOM 0 H GLU A 40 -6.957 9.173 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.194 10.062 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.731 10.413 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.849 11.412 -3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.013 8.825 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.103 10.161 -4.428 1.00 0.00 H new ATOM 567 N ASN A 41 -7.281 7.119 -3.334 1.00 0.00 N ATOM 568 CA ASN A 41 -7.622 5.827 -2.749 1.00 0.00 C ATOM 569 C ASN A 41 -6.544 4.791 -3.053 1.00 0.00 C ATOM 570 O ASN A 41 -6.704 3.608 -2.752 1.00 0.00 O ATOM 571 CB ASN A 41 -8.973 5.344 -3.280 1.00 0.00 C ATOM 572 CG ASN A 41 -10.135 5.846 -2.445 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.776 5.078 -1.727 1.00 0.00 O ATOM 574 ND2 ASN A 41 -10.412 7.142 -2.535 1.00 0.00 N ATOM 0 H ASN A 41 -7.035 7.082 -4.323 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.687 5.951 -1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.097 5.680 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.985 4.254 -3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.182 7.537 -1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.854 7.742 -3.143 1.00 0.00 H new ATOM 581 N TRP A 42 -5.448 5.244 -3.650 1.00 0.00 N ATOM 582 CA TRP A 42 -4.343 4.356 -3.994 1.00 0.00 C ATOM 583 C TRP A 42 -3.047 4.819 -3.337 1.00 0.00 C ATOM 584 O TRP A 42 -2.930 5.971 -2.918 1.00 0.00 O ATOM 585 CB TRP A 42 -4.165 4.294 -5.512 1.00 0.00 C ATOM 586 CG TRP A 42 -5.384 3.804 -6.233 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.591 4.437 -6.326 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.515 2.578 -6.961 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.464 3.678 -7.067 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.828 2.533 -7.469 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.650 1.515 -7.234 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.294 1.466 -8.233 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.115 0.457 -7.992 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.426 0.439 -8.485 1.00 0.00 C ATOM 0 H TRP A 42 -5.300 6.220 -3.906 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.581 3.360 -3.622 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.908 5.287 -5.881 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.325 3.639 -5.746 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.825 5.394 -5.882 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.429 3.927 -7.283 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.637 1.520 -6.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.305 1.450 -8.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.456 -0.371 -8.208 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.758 -0.402 -9.076 1.00 0.00 H new ATOM 605 N TYR A 43 -2.077 3.916 -3.250 1.00 0.00 N ATOM 606 CA TYR A 43 -0.791 4.232 -2.641 1.00 0.00 C ATOM 607 C TYR A 43 0.360 3.708 -3.495 1.00 0.00 C ATOM 608 O TYR A 43 0.142 3.036 -4.503 1.00 0.00 O ATOM 609 CB TYR A 43 -0.709 3.638 -1.234 1.00 0.00 C ATOM 610 CG TYR A 43 -1.409 4.470 -0.183 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.236 5.847 -0.130 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.245 3.878 0.756 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.873 6.611 0.828 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.887 4.634 1.717 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.698 6.000 1.750 1.00 0.00 C ATOM 616 OH TYR A 43 -3.336 6.757 2.705 1.00 0.00 O ATOM 0 H TYR A 43 -2.157 2.959 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.706 5.317 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.145 2.639 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.339 3.525 -0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.592 6.329 -0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.395 2.809 0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.726 7.681 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.534 4.158 2.439 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.880 6.174 3.275 1.00 0.00 H new ATOM 626 N GLU A 44 1.584 4.020 -3.082 1.00 0.00 N ATOM 627 CA GLU A 44 2.770 3.580 -3.809 1.00 0.00 C ATOM 628 C GLU A 44 3.808 2.997 -2.855 1.00 0.00 C ATOM 629 O GLU A 44 3.984 3.484 -1.739 1.00 0.00 O ATOM 630 CB GLU A 44 3.378 4.747 -4.591 1.00 0.00 C ATOM 631 CG GLU A 44 4.387 4.316 -5.641 1.00 0.00 C ATOM 632 CD GLU A 44 5.799 4.232 -5.094 1.00 0.00 C ATOM 633 OE1 GLU A 44 6.489 5.273 -5.069 1.00 0.00 O ATOM 634 OE2 GLU A 44 6.214 3.125 -4.691 1.00 0.00 O ATOM 0 H GLU A 44 1.781 4.575 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 44 2.468 2.801 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.577 5.305 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.863 5.429 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.098 3.344 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.365 5.021 -6.472 1.00 0.00 H new ATOM 641 N GLY A 45 4.492 1.949 -3.303 1.00 0.00 N ATOM 642 CA GLY A 45 5.503 1.315 -2.477 1.00 0.00 C ATOM 643 C GLY A 45 6.330 0.304 -3.247 1.00 0.00 C ATOM 644 O GLY A 45 6.176 0.160 -4.459 1.00 0.00 O ATOM 0 H GLY A 45 4.364 1.528 -4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.161 2.079 -2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.021 0.819 -1.634 1.00 0.00 H new ATOM 648 N MET A 46 7.211 -0.397 -2.541 1.00 0.00 N ATOM 649 CA MET A 46 8.066 -1.400 -3.166 1.00 0.00 C ATOM 650 C MET A 46 7.747 -2.794 -2.635 1.00 0.00 C ATOM 651 O MET A 46 7.751 -3.024 -1.425 1.00 0.00 O ATOM 652 CB MET A 46 9.540 -1.071 -2.918 1.00 0.00 C ATOM 653 CG MET A 46 10.151 -0.178 -3.985 1.00 0.00 C ATOM 654 SD MET A 46 11.675 0.615 -3.437 1.00 0.00 S ATOM 655 CE MET A 46 11.026 2.087 -2.650 1.00 0.00 C ATOM 0 H MET A 46 7.352 -0.289 -1.537 1.00 0.00 H new ATOM 0 HA MET A 46 7.874 -1.387 -4.239 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.637 -0.583 -1.948 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.107 -2.000 -2.865 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.355 -0.771 -4.877 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.429 0.588 -4.269 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.847 2.666 -2.228 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.498 2.691 -3.388 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.338 1.801 -1.855 1.00 0.00 H new ATOM 665 N LEU A 47 7.472 -3.720 -3.546 1.00 0.00 N ATOM 666 CA LEU A 47 7.151 -5.092 -3.169 1.00 0.00 C ATOM 667 C LEU A 47 7.704 -6.081 -4.190 1.00 0.00 C ATOM 668 O LEU A 47 7.387 -6.006 -5.378 1.00 0.00 O ATOM 669 CB LEU A 47 5.636 -5.266 -3.043 1.00 0.00 C ATOM 670 CG LEU A 47 5.164 -6.490 -2.257 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.506 -6.343 -0.783 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.668 -6.698 -2.441 1.00 0.00 C ATOM 0 H LEU A 47 7.465 -3.546 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 47 7.616 -5.296 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.226 -4.374 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.212 -5.317 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 47 5.683 -7.367 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.162 -7.224 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.585 -6.244 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.016 -5.456 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.350 -7.573 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.132 -5.819 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.449 -6.851 -3.498 1.00 0.00 H new ATOM 684 N HIS A 48 8.531 -7.010 -3.720 1.00 0.00 N ATOM 685 CA HIS A 48 9.126 -8.016 -4.592 1.00 0.00 C ATOM 686 C HIS A 48 9.935 -7.360 -5.706 1.00 0.00 C ATOM 687 O HIS A 48 9.998 -7.869 -6.824 1.00 0.00 O ATOM 688 CB HIS A 48 8.039 -8.908 -5.193 1.00 0.00 C ATOM 689 CG HIS A 48 7.664 -10.066 -4.320 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.592 -10.921 -3.764 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.453 -10.507 -3.907 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.968 -11.839 -3.048 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.669 -11.610 -3.117 1.00 0.00 N ATOM 0 H HIS A 48 8.804 -7.087 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 48 9.798 -8.629 -3.992 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.151 -8.306 -5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.382 -9.286 -6.156 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.495 -10.073 -4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.440 -12.641 -2.499 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.944 -12.162 -2.658 1.00 0.00 H new ATOM 702 N GLY A 49 10.553 -6.225 -5.393 1.00 0.00 N ATOM 703 CA GLY A 49 11.350 -5.517 -6.378 1.00 0.00 C ATOM 704 C GLY A 49 10.502 -4.897 -7.471 1.00 0.00 C ATOM 705 O GLY A 49 10.999 -4.597 -8.557 1.00 0.00 O ATOM 0 H GLY A 49 10.516 -5.783 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.926 -4.736 -5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.067 -6.206 -6.825 1.00 0.00 H new ATOM 709 N HIS A 50 9.218 -4.705 -7.185 1.00 0.00 N ATOM 710 CA HIS A 50 8.299 -4.117 -8.153 1.00 0.00 C ATOM 711 C HIS A 50 7.636 -2.866 -7.583 1.00 0.00 C ATOM 712 O HIS A 50 7.134 -2.876 -6.459 1.00 0.00 O ATOM 713 CB HIS A 50 7.232 -5.134 -8.558 1.00 0.00 C ATOM 714 CG HIS A 50 7.779 -6.308 -9.311 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.302 -6.209 -10.583 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.884 -7.612 -8.963 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.703 -7.401 -10.986 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.461 -8.270 -10.021 1.00 0.00 N ATOM 0 H HIS A 50 8.791 -4.948 -6.291 1.00 0.00 H new ATOM 0 HA HIS A 50 8.873 -3.833 -9.035 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.724 -5.492 -7.662 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.482 -4.636 -9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.572 -8.053 -8.028 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.152 -7.627 -11.942 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.669 -9.268 -10.056 1.00 0.00 H new ATOM 727 N SER A 51 7.639 -1.792 -8.364 1.00 0.00 N ATOM 728 CA SER A 51 7.042 -0.532 -7.935 1.00 0.00 C ATOM 729 C SER A 51 5.707 -0.298 -8.635 1.00 0.00 C ATOM 730 O SER A 51 5.661 -0.030 -9.835 1.00 0.00 O ATOM 731 CB SER A 51 7.993 0.631 -8.223 1.00 0.00 C ATOM 732 OG SER A 51 8.361 0.663 -9.591 1.00 0.00 O ATOM 0 H SER A 51 8.048 -1.768 -9.298 1.00 0.00 H new ATOM 0 HA SER A 51 6.864 -0.589 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.515 1.572 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.886 0.536 -7.605 1.00 0.00 H new ATOM 0 HG SER A 51 7.580 0.456 -10.145 1.00 0.00 H new ATOM 738 N GLY A 52 4.621 -0.401 -7.874 1.00 0.00 N ATOM 739 CA GLY A 52 3.299 -0.198 -8.437 1.00 0.00 C ATOM 740 C GLY A 52 2.325 0.387 -7.434 1.00 0.00 C ATOM 741 O GLY A 52 2.671 0.594 -6.270 1.00 0.00 O ATOM 0 H GLY A 52 4.634 -0.621 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.372 0.467 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.913 -1.150 -8.801 1.00 0.00 H new ATOM 745 N PHE A 53 1.104 0.655 -7.884 1.00 0.00 N ATOM 746 CA PHE A 53 0.077 1.222 -7.017 1.00 0.00 C ATOM 747 C PHE A 53 -0.899 0.144 -6.554 1.00 0.00 C ATOM 748 O PHE A 53 -1.164 -0.820 -7.272 1.00 0.00 O ATOM 749 CB PHE A 53 -0.681 2.332 -7.747 1.00 0.00 C ATOM 750 CG PHE A 53 0.154 3.059 -8.763 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.449 3.449 -8.464 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.357 3.353 -10.017 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.219 4.119 -9.396 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.407 4.022 -10.953 1.00 0.00 C ATOM 755 CZ PHE A 53 1.698 4.405 -10.643 1.00 0.00 C ATOM 0 H PHE A 53 0.801 0.489 -8.844 1.00 0.00 H new ATOM 0 HA PHE A 53 0.569 1.643 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.550 1.902 -8.244 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.054 3.048 -7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.862 3.227 -7.491 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.365 3.055 -10.265 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.227 4.419 -9.150 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.004 4.246 -11.926 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.298 4.927 -11.374 1.00 0.00 H new ATOM 765 N PHE A 54 -1.431 0.315 -5.348 1.00 0.00 N ATOM 766 CA PHE A 54 -2.377 -0.643 -4.787 1.00 0.00 C ATOM 767 C PHE A 54 -3.539 0.075 -4.107 1.00 0.00 C ATOM 768 O PHE A 54 -3.406 1.195 -3.612 1.00 0.00 O ATOM 769 CB PHE A 54 -1.673 -1.560 -3.786 1.00 0.00 C ATOM 770 CG PHE A 54 -0.894 -0.818 -2.738 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.260 -0.128 -3.072 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.315 -0.811 -1.418 1.00 0.00 C ATOM 773 CE1 PHE A 54 0.979 0.557 -2.111 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.601 -0.128 -0.452 1.00 0.00 C ATOM 775 CZ PHE A 54 0.549 0.556 -0.798 1.00 0.00 C ATOM 0 H PHE A 54 -1.223 1.108 -4.741 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.774 -1.246 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.416 -2.189 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.999 -2.224 -4.326 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.602 -0.125 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.212 -1.346 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.876 1.092 -2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.941 -0.129 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.110 1.088 -0.044 1.00 0.00 H new ATOM 785 N PRO A 55 -4.707 -0.583 -4.081 1.00 0.00 N ATOM 786 CA PRO A 55 -5.916 -0.028 -3.465 1.00 0.00 C ATOM 787 C PRO A 55 -5.811 0.044 -1.945 1.00 0.00 C ATOM 788 O PRO A 55 -5.106 -0.752 -1.324 1.00 0.00 O ATOM 789 CB PRO A 55 -7.011 -1.014 -3.879 1.00 0.00 C ATOM 790 CG PRO A 55 -6.293 -2.297 -4.120 1.00 0.00 C ATOM 791 CD PRO A 55 -4.938 -1.921 -4.652 1.00 0.00 C ATOM 0 HA PRO A 55 -6.103 0.997 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.763 -1.122 -3.097 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.530 -0.676 -4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.204 -2.873 -3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.834 -2.918 -4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.172 -2.630 -4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.926 -1.901 -5.742 1.00 0.00 H new ATOM 799 N ILE A 56 -6.516 1.001 -1.353 1.00 0.00 N ATOM 800 CA ILE A 56 -6.503 1.175 0.095 1.00 0.00 C ATOM 801 C ILE A 56 -7.691 0.473 0.743 1.00 0.00 C ATOM 802 O ILE A 56 -7.702 0.236 1.951 1.00 0.00 O ATOM 803 CB ILE A 56 -6.527 2.665 0.483 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.337 3.396 -0.142 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.513 2.817 1.997 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.459 4.903 -0.090 1.00 0.00 C ATOM 0 H ILE A 56 -7.104 1.668 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.578 0.728 0.459 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.445 3.111 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.425 3.095 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.234 3.083 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.530 3.876 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.389 2.325 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.610 2.359 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.581 5.355 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.353 5.215 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.531 5.227 0.948 1.00 0.00 H new ATOM 818 N ASN A 57 -8.690 0.140 -0.068 1.00 0.00 N ATOM 819 CA ASN A 57 -9.884 -0.537 0.427 1.00 0.00 C ATOM 820 C ASN A 57 -9.591 -2.003 0.730 1.00 0.00 C ATOM 821 O ASN A 57 -10.489 -2.765 1.090 1.00 0.00 O ATOM 822 CB ASN A 57 -11.016 -0.432 -0.597 1.00 0.00 C ATOM 823 CG ASN A 57 -11.746 0.895 -0.517 1.00 0.00 C ATOM 824 OD1 ASN A 57 -11.831 1.507 0.548 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.279 1.346 -1.647 1.00 0.00 N ATOM 0 H ASN A 57 -8.697 0.328 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.193 -0.048 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.608 -0.560 -1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.725 -1.244 -0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.783 2.233 -1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.184 0.806 -2.507 1.00 0.00 H new ATOM 832 N TYR A 58 -8.330 -2.392 0.581 1.00 0.00 N ATOM 833 CA TYR A 58 -7.919 -3.767 0.837 1.00 0.00 C ATOM 834 C TYR A 58 -6.886 -3.828 1.958 1.00 0.00 C ATOM 835 O TYR A 58 -6.762 -4.838 2.651 1.00 0.00 O ATOM 836 CB TYR A 58 -7.345 -4.395 -0.434 1.00 0.00 C ATOM 837 CG TYR A 58 -8.401 -4.929 -1.376 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.117 -6.079 -1.068 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.683 -4.282 -2.573 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.082 -6.570 -1.926 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.648 -4.765 -3.436 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.344 -5.910 -3.108 1.00 0.00 C ATOM 843 OH TYR A 58 -11.306 -6.396 -3.964 1.00 0.00 O ATOM 0 H TYR A 58 -7.574 -1.774 0.284 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.799 -4.330 1.148 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.745 -3.651 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.673 -5.207 -0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.916 -6.598 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.139 -3.386 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.628 -7.466 -1.672 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.856 -4.249 -4.362 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.368 -5.815 -4.750 1.00 0.00 H new ATOM 853 N VAL A 59 -6.145 -2.737 2.131 1.00 0.00 N ATOM 854 CA VAL A 59 -5.124 -2.664 3.169 1.00 0.00 C ATOM 855 C VAL A 59 -5.467 -1.599 4.204 1.00 0.00 C ATOM 856 O VAL A 59 -6.287 -0.716 3.951 1.00 0.00 O ATOM 857 CB VAL A 59 -3.738 -2.355 2.571 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.378 -3.376 1.503 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.705 -0.944 2.004 1.00 0.00 C ATOM 0 H VAL A 59 -6.233 -1.893 1.566 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.094 -3.640 3.653 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.996 -2.420 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.396 -3.142 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.358 -4.373 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.121 -3.347 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.719 -0.743 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.457 -0.849 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.915 -0.228 2.798 1.00 0.00 H new ATOM 869 N GLU A 60 -4.835 -1.688 5.370 1.00 0.00 N ATOM 870 CA GLU A 60 -5.075 -0.731 6.443 1.00 0.00 C ATOM 871 C GLU A 60 -3.802 0.043 6.776 1.00 0.00 C ATOM 872 O GLU A 60 -2.722 -0.537 6.888 1.00 0.00 O ATOM 873 CB GLU A 60 -5.589 -1.450 7.692 1.00 0.00 C ATOM 874 CG GLU A 60 -6.497 -0.593 8.558 1.00 0.00 C ATOM 875 CD GLU A 60 -5.816 0.672 9.044 1.00 0.00 C ATOM 876 OE1 GLU A 60 -4.604 0.619 9.335 1.00 0.00 O ATOM 877 OE2 GLU A 60 -6.498 1.715 9.132 1.00 0.00 O ATOM 0 H GLU A 60 -4.153 -2.413 5.595 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.831 -0.024 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.131 -2.346 7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.738 -1.779 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.388 -0.326 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.829 -1.176 9.417 1.00 0.00 H new ATOM 884 N ILE A 61 -3.939 1.355 6.933 1.00 0.00 N ATOM 885 CA ILE A 61 -2.802 2.209 7.254 1.00 0.00 C ATOM 886 C ILE A 61 -2.577 2.282 8.760 1.00 0.00 C ATOM 887 O ILE A 61 -3.295 2.986 9.472 1.00 0.00 O ATOM 888 CB ILE A 61 -2.996 3.635 6.705 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.087 3.609 5.177 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.857 4.536 7.158 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.903 2.941 4.513 1.00 0.00 C ATOM 0 H ILE A 61 -4.826 1.850 6.843 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.928 1.762 6.780 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.930 4.036 7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.999 3.089 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.171 4.631 4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.008 5.540 6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.835 4.575 8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.911 4.139 6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.035 2.959 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.990 3.474 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.830 1.908 4.853 1.00 0.00 H new ATOM 903 N LEU A 62 -1.576 1.553 9.239 1.00 0.00 N ATOM 904 CA LEU A 62 -1.254 1.536 10.662 1.00 0.00 C ATOM 905 C LEU A 62 -0.485 2.792 11.061 1.00 0.00 C ATOM 906 O LEU A 62 -0.728 3.371 12.120 1.00 0.00 O ATOM 907 CB LEU A 62 -0.434 0.292 11.005 1.00 0.00 C ATOM 908 CG LEU A 62 -0.953 -1.031 10.440 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.198 -1.992 10.187 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.970 -1.652 11.386 1.00 0.00 C ATOM 0 H LEU A 62 -0.973 0.966 8.663 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.190 1.512 11.221 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.584 0.442 10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.380 0.204 12.090 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.446 -0.829 9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.191 -2.928 9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.891 -1.550 9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.720 -2.189 11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.329 -2.593 10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.501 -1.839 12.352 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.810 -0.969 11.517 1.00 0.00 H new ATOM 922 N VAL A 63 0.443 3.209 10.205 1.00 0.00 N ATOM 923 CA VAL A 63 1.245 4.398 10.466 1.00 0.00 C ATOM 924 C VAL A 63 0.981 5.478 9.424 1.00 0.00 C ATOM 925 O VAL A 63 1.270 5.298 8.241 1.00 0.00 O ATOM 926 CB VAL A 63 2.749 4.068 10.479 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.576 5.345 10.503 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.090 3.180 11.666 1.00 0.00 C ATOM 0 H VAL A 63 0.658 2.741 9.325 1.00 0.00 H new ATOM 0 HA VAL A 63 0.954 4.768 11.449 1.00 0.00 H new ATOM 0 HB VAL A 63 2.991 3.524 9.566 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.636 5.092 10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.352 5.940 9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.333 5.919 11.397 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.157 2.957 11.659 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.833 3.695 12.592 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.525 2.250 11.599 1.00 0.00 H new ATOM 938 N ALA A 64 0.431 6.602 9.871 1.00 0.00 N ATOM 939 CA ALA A 64 0.130 7.714 8.978 1.00 0.00 C ATOM 940 C ALA A 64 1.406 8.295 8.376 1.00 0.00 C ATOM 941 O ALA A 64 2.343 8.639 9.096 1.00 0.00 O ATOM 942 CB ALA A 64 -0.644 8.793 9.720 1.00 0.00 C ATOM 0 H ALA A 64 0.185 6.767 10.847 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.487 7.336 8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.862 9.617 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.578 8.377 10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.047 9.160 10.555 1.00 0.00 H new ATOM 948 N LEU A 65 1.434 8.400 7.052 1.00 0.00 N ATOM 949 CA LEU A 65 2.596 8.939 6.353 1.00 0.00 C ATOM 950 C LEU A 65 3.008 10.286 6.938 1.00 0.00 C ATOM 951 O LEU A 65 2.199 11.013 7.515 1.00 0.00 O ATOM 952 CB LEU A 65 2.293 9.090 4.861 1.00 0.00 C ATOM 953 CG LEU A 65 2.536 7.851 3.998 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.584 7.831 2.812 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.982 7.808 3.523 1.00 0.00 C ATOM 0 H LEU A 65 0.667 8.120 6.441 1.00 0.00 H new ATOM 0 HA LEU A 65 3.422 8.240 6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.250 9.386 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.899 9.906 4.468 1.00 0.00 H new ATOM 0 HG LEU A 65 2.346 6.966 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.772 6.942 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.555 7.815 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.742 8.722 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.137 6.920 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.198 8.699 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.647 7.775 4.386 1.00 0.00 H new ATOM 967 N PRO A 66 4.295 10.629 6.785 1.00 0.00 N ATOM 968 CA PRO A 66 4.843 11.892 7.290 1.00 0.00 C ATOM 969 C PRO A 66 4.328 13.098 6.513 1.00 0.00 C ATOM 970 O PRO A 66 4.372 14.228 7.001 1.00 0.00 O ATOM 971 CB PRO A 66 6.352 11.730 7.087 1.00 0.00 C ATOM 972 CG PRO A 66 6.481 10.751 5.971 1.00 0.00 C ATOM 973 CD PRO A 66 5.315 9.811 6.108 1.00 0.00 C ATOM 0 HA PRO A 66 4.556 12.076 8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.822 12.681 6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.836 11.364 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.464 11.256 5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.426 10.212 6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.967 9.458 5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.576 8.929 6.693 1.00 0.00 H new ATOM 981 N HIS A 67 3.839 12.852 5.302 1.00 0.00 N ATOM 982 CA HIS A 67 3.313 13.920 4.458 1.00 0.00 C ATOM 983 C HIS A 67 2.471 14.894 5.276 1.00 0.00 C ATOM 984 O HIS A 67 1.642 14.483 6.088 1.00 0.00 O ATOM 985 CB HIS A 67 2.476 13.334 3.321 1.00 0.00 C ATOM 986 CG HIS A 67 1.807 14.373 2.473 1.00 0.00 C ATOM 987 ND1 HIS A 67 2.410 14.950 1.375 1.00 0.00 N ATOM 988 CD2 HIS A 67 0.580 14.936 2.567 1.00 0.00 C ATOM 989 CE1 HIS A 67 1.582 15.825 0.832 1.00 0.00 C ATOM 990 NE2 HIS A 67 0.465 15.835 1.535 1.00 0.00 N ATOM 0 H HIS A 67 3.796 11.923 4.883 1.00 0.00 H new ATOM 0 HA HIS A 67 4.157 14.464 4.035 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.116 12.718 2.689 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.716 12.676 3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.169 14.719 3.314 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.785 16.430 -0.040 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.351 16.416 1.343 1.00 0.00 H new ATOM 999 N SER A 68 2.691 16.187 5.057 1.00 0.00 N ATOM 1000 CA SER A 68 1.955 17.220 5.777 1.00 0.00 C ATOM 1001 C SER A 68 1.075 18.023 4.825 1.00 0.00 C ATOM 1002 O SER A 68 1.275 18.005 3.612 1.00 0.00 O ATOM 1003 CB SER A 68 2.925 18.154 6.504 1.00 0.00 C ATOM 1004 OG SER A 68 3.651 17.459 7.503 1.00 0.00 O ATOM 0 H SER A 68 3.373 16.544 4.387 1.00 0.00 H new ATOM 0 HA SER A 68 1.314 16.731 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.618 18.594 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.372 18.976 6.958 1.00 0.00 H new ATOM 0 HG SER A 68 4.265 18.078 7.951 1.00 0.00 H new ATOM 1010 N GLY A 69 0.097 18.728 5.387 1.00 0.00 N ATOM 1011 CA GLY A 69 -0.801 19.529 4.574 1.00 0.00 C ATOM 1012 C GLY A 69 -2.260 19.254 4.880 1.00 0.00 C ATOM 1013 O GLY A 69 -2.599 18.635 5.889 1.00 0.00 O ATOM 0 H GLY A 69 -0.089 18.759 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.591 20.586 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.610 19.327 3.520 1.00 0.00 H new ATOM 1017 N PRO A 70 -3.152 19.722 3.995 1.00 0.00 N ATOM 1018 CA PRO A 70 -4.598 19.537 4.155 1.00 0.00 C ATOM 1019 C PRO A 70 -5.021 18.084 3.961 1.00 0.00 C ATOM 1020 O PRO A 70 -4.534 17.401 3.060 1.00 0.00 O ATOM 1021 CB PRO A 70 -5.192 20.418 3.054 1.00 0.00 C ATOM 1022 CG PRO A 70 -4.123 20.508 2.021 1.00 0.00 C ATOM 1023 CD PRO A 70 -2.819 20.469 2.771 1.00 0.00 C ATOM 0 HA PRO A 70 -4.934 19.800 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.102 19.980 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.457 21.404 3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.192 19.681 1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.214 21.428 1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.039 19.970 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.456 21.471 2.998 1.00 0.00 H new ATOM 1031 N SER A 71 -5.930 17.619 4.812 1.00 0.00 N ATOM 1032 CA SER A 71 -6.416 16.246 4.735 1.00 0.00 C ATOM 1033 C SER A 71 -7.754 16.103 5.455 1.00 0.00 C ATOM 1034 O SER A 71 -8.117 16.935 6.285 1.00 0.00 O ATOM 1035 CB SER A 71 -5.392 15.286 5.343 1.00 0.00 C ATOM 1036 OG SER A 71 -5.334 15.426 6.752 1.00 0.00 O ATOM 0 H SER A 71 -6.345 18.172 5.562 1.00 0.00 H new ATOM 0 HA SER A 71 -6.560 15.995 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.655 14.260 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.409 15.480 4.915 1.00 0.00 H new ATOM 0 HG SER A 71 -4.673 14.800 7.116 1.00 0.00 H new ATOM 1042 N SER A 72 -8.482 15.040 5.129 1.00 0.00 N ATOM 1043 CA SER A 72 -9.782 14.788 5.741 1.00 0.00 C ATOM 1044 C SER A 72 -9.766 15.154 7.222 1.00 0.00 C ATOM 1045 O SER A 72 -9.193 14.439 8.043 1.00 0.00 O ATOM 1046 CB SER A 72 -10.173 13.319 5.571 1.00 0.00 C ATOM 1047 OG SER A 72 -11.377 13.028 6.259 1.00 0.00 O ATOM 0 H SER A 72 -8.194 14.340 4.445 1.00 0.00 H new ATOM 0 HA SER A 72 -10.520 15.413 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.292 13.092 4.512 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.373 12.681 5.946 1.00 0.00 H new ATOM 0 HG SER A 72 -11.606 12.083 6.133 1.00 0.00 H new ATOM 1053 N GLY A 73 -10.400 16.274 7.555 1.00 0.00 N ATOM 1054 CA GLY A 73 -10.447 16.717 8.936 1.00 0.00 C ATOM 1055 C GLY A 73 -11.625 17.629 9.213 1.00 0.00 C ATOM 1056 O GLY A 73 -12.281 17.511 10.248 1.00 0.00 O ATOM 0 H GLY A 73 -10.882 16.882 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.503 15.848 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.522 17.240 9.178 1.00 0.00 H new TER 1060 GLY A 73