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 Set 1.1: A 2 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= -0.286 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 63:sc= -0.121 USER MOD Single : A 10 CYS SG : rot -28:sc= -0.274 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.82) 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 -38:sc=-0.00278 USER MOD Single : A 36 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.42) USER MOD Single : A 37 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.72) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -126:sc= 0 (180deg=-0.0941) USER MOD Single : A 48 HIS :FLIP no HD1:sc= -0.112 F(o=-0.64,f=-0.11) USER MOD Single : A 50 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.092) USER MOD Single : A 51 SER OG : rot 29:sc= 0.00579 USER MOD Single : A 57 ASN : amide:sc=-0.00705 X(o=-0.0071,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 68 SER OG : rot 180:sc= -0.217 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 5.684 -11.805 12.631 1.00 0.00 N ATOM 2 CA GLY A 1 6.931 -11.336 13.207 1.00 0.00 C ATOM 3 C GLY A 1 7.835 -10.684 12.180 1.00 0.00 C ATOM 4 O GLY A 1 8.942 -11.160 11.927 1.00 0.00 O ATOM 0 H1 GLY A 1 5.102 -12.242 13.373 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.170 -11.002 12.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.886 -12.507 11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.715 -10.622 14.002 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.454 -12.175 13.666 1.00 0.00 H new ATOM 8 N SER A 2 7.363 -9.593 11.585 1.00 0.00 N ATOM 9 CA SER A 2 8.135 -8.878 10.576 1.00 0.00 C ATOM 10 C SER A 2 9.617 -8.860 10.937 1.00 0.00 C ATOM 11 O SER A 2 9.980 -8.835 12.113 1.00 0.00 O ATOM 12 CB SER A 2 7.617 -7.446 10.426 1.00 0.00 C ATOM 13 OG SER A 2 6.280 -7.434 9.956 1.00 0.00 O ATOM 0 H SER A 2 6.450 -9.185 11.784 1.00 0.00 H new ATOM 0 HA SER A 2 8.017 -9.400 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.673 -6.933 11.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.254 -6.896 9.733 1.00 0.00 H new ATOM 0 HG SER A 2 5.867 -6.571 10.167 1.00 0.00 H new ATOM 19 N SER A 3 10.469 -8.871 9.917 1.00 0.00 N ATOM 20 CA SER A 3 11.912 -8.860 10.126 1.00 0.00 C ATOM 21 C SER A 3 12.488 -7.473 9.859 1.00 0.00 C ATOM 22 O SER A 3 13.603 -7.160 10.277 1.00 0.00 O ATOM 23 CB SER A 3 12.589 -9.889 9.218 1.00 0.00 C ATOM 24 OG SER A 3 12.424 -9.549 7.852 1.00 0.00 O ATOM 0 H SER A 3 10.185 -8.888 8.937 1.00 0.00 H new ATOM 0 HA SER A 3 12.106 -9.122 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.651 -9.946 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.167 -10.877 9.404 1.00 0.00 H new ATOM 0 HG SER A 3 12.867 -10.220 7.292 1.00 0.00 H new ATOM 30 N GLY A 4 11.720 -6.643 9.160 1.00 0.00 N ATOM 31 CA GLY A 4 12.169 -5.299 8.849 1.00 0.00 C ATOM 32 C GLY A 4 11.044 -4.410 8.359 1.00 0.00 C ATOM 33 O GLY A 4 10.763 -4.356 7.161 1.00 0.00 O ATOM 0 H GLY A 4 10.794 -6.878 8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.618 -4.855 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.948 -5.347 8.088 1.00 0.00 H new ATOM 37 N SER A 5 10.397 -3.712 9.286 1.00 0.00 N ATOM 38 CA SER A 5 9.292 -2.825 8.943 1.00 0.00 C ATOM 39 C SER A 5 9.547 -1.412 9.460 1.00 0.00 C ATOM 40 O SER A 5 8.628 -0.728 9.908 1.00 0.00 O ATOM 41 CB SER A 5 7.980 -3.362 9.520 1.00 0.00 C ATOM 42 OG SER A 5 7.713 -4.670 9.046 1.00 0.00 O ATOM 0 H SER A 5 10.619 -3.744 10.281 1.00 0.00 H new ATOM 0 HA SER A 5 9.214 -2.787 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.034 -3.370 10.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.160 -2.698 9.247 1.00 0.00 H new ATOM 0 HG SER A 5 6.871 -4.992 9.430 1.00 0.00 H new ATOM 48 N SER A 6 10.804 -0.984 9.395 1.00 0.00 N ATOM 49 CA SER A 6 11.183 0.345 9.860 1.00 0.00 C ATOM 50 C SER A 6 10.665 1.422 8.911 1.00 0.00 C ATOM 51 O SER A 6 11.246 1.667 7.855 1.00 0.00 O ATOM 52 CB SER A 6 12.704 0.450 9.985 1.00 0.00 C ATOM 53 OG SER A 6 13.193 -0.411 10.999 1.00 0.00 O ATOM 0 H SER A 6 11.576 -1.538 9.025 1.00 0.00 H new ATOM 0 HA SER A 6 10.732 0.501 10.840 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.169 0.196 9.032 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.983 1.479 10.211 1.00 0.00 H new ATOM 0 HG SER A 6 14.168 -0.327 11.058 1.00 0.00 H new ATOM 59 N GLY A 7 9.565 2.062 9.296 1.00 0.00 N ATOM 60 CA GLY A 7 8.985 3.104 8.470 1.00 0.00 C ATOM 61 C GLY A 7 7.499 2.904 8.242 1.00 0.00 C ATOM 62 O GLY A 7 6.898 1.947 8.729 1.00 0.00 O ATOM 0 H GLY A 7 9.065 1.877 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.150 4.072 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.497 3.128 7.508 1.00 0.00 H new ATOM 66 N PRO A 8 6.883 3.826 7.486 1.00 0.00 N ATOM 67 CA PRO A 8 5.451 3.769 7.179 1.00 0.00 C ATOM 68 C PRO A 8 5.106 2.622 6.236 1.00 0.00 C ATOM 69 O PRO A 8 5.597 2.564 5.108 1.00 0.00 O ATOM 70 CB PRO A 8 5.179 5.116 6.506 1.00 0.00 C ATOM 71 CG PRO A 8 6.492 5.525 5.933 1.00 0.00 C ATOM 72 CD PRO A 8 7.538 4.994 6.873 1.00 0.00 C ATOM 0 HA PRO A 8 4.849 3.594 8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.419 5.024 5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.814 5.851 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.625 5.117 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.559 6.610 5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.448 4.713 6.344 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.820 5.735 7.621 1.00 0.00 H new ATOM 80 N CYS A 9 4.258 1.712 6.703 1.00 0.00 N ATOM 81 CA CYS A 9 3.848 0.566 5.900 1.00 0.00 C ATOM 82 C CYS A 9 2.369 0.257 6.110 1.00 0.00 C ATOM 83 O CYS A 9 1.704 0.885 6.935 1.00 0.00 O ATOM 84 CB CYS A 9 4.692 -0.659 6.253 1.00 0.00 C ATOM 85 SG CYS A 9 6.474 -0.352 6.255 1.00 0.00 S ATOM 0 H CYS A 9 3.841 1.746 7.633 1.00 0.00 H new ATOM 0 HA CYS A 9 4.004 0.815 4.850 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.395 -1.020 7.238 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.472 -1.455 5.542 1.00 0.00 H new ATOM 0 HG CYS A 9 6.762 0.524 7.171 1.00 0.00 H new ATOM 91 N CYS A 10 1.860 -0.712 5.357 1.00 0.00 N ATOM 92 CA CYS A 10 0.458 -1.102 5.459 1.00 0.00 C ATOM 93 C CYS A 10 0.293 -2.601 5.227 1.00 0.00 C ATOM 94 O CYS A 10 1.055 -3.211 4.477 1.00 0.00 O ATOM 95 CB CYS A 10 -0.385 -0.322 4.449 1.00 0.00 C ATOM 96 SG CYS A 10 0.170 -0.492 2.737 1.00 0.00 S ATOM 0 H CYS A 10 2.396 -1.242 4.670 1.00 0.00 H new ATOM 0 HA CYS A 10 0.114 -0.868 6.466 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.420 -0.658 4.519 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.373 0.734 4.720 1.00 0.00 H new ATOM 0 HG CYS A 10 1.449 -0.721 2.716 1.00 0.00 H new ATOM 102 N ARG A 11 -0.706 -3.188 5.877 1.00 0.00 N ATOM 103 CA ARG A 11 -0.969 -4.616 5.744 1.00 0.00 C ATOM 104 C ARG A 11 -2.206 -4.863 4.885 1.00 0.00 C ATOM 105 O ARG A 11 -3.176 -4.109 4.944 1.00 0.00 O ATOM 106 CB ARG A 11 -1.158 -5.252 7.123 1.00 0.00 C ATOM 107 CG ARG A 11 -1.644 -6.691 7.068 1.00 0.00 C ATOM 108 CD ARG A 11 -2.272 -7.117 8.386 1.00 0.00 C ATOM 109 NE ARG A 11 -3.632 -6.605 8.535 1.00 0.00 N ATOM 110 CZ ARG A 11 -4.288 -6.589 9.690 1.00 0.00 C ATOM 111 NH1 ARG A 11 -3.712 -7.053 10.791 1.00 0.00 N ATOM 112 NH2 ARG A 11 -5.523 -6.107 9.746 1.00 0.00 N ATOM 0 H ARG A 11 -1.347 -2.697 6.501 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.110 -5.074 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.212 -5.217 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.872 -4.658 7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.372 -6.800 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.808 -7.350 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.286 -8.205 8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.658 -6.760 9.213 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.103 -6.240 7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.762 -7.424 10.752 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.219 -7.039 11.676 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.969 -5.748 8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.026 -6.095 10.633 1.00 0.00 H new ATOM 126 N ALA A 12 -2.162 -5.924 4.086 1.00 0.00 N ATOM 127 CA ALA A 12 -3.278 -6.272 3.215 1.00 0.00 C ATOM 128 C ALA A 12 -4.351 -7.040 3.979 1.00 0.00 C ATOM 129 O ALA A 12 -4.066 -7.689 4.986 1.00 0.00 O ATOM 130 CB ALA A 12 -2.788 -7.086 2.027 1.00 0.00 C ATOM 0 H ALA A 12 -1.365 -6.558 4.024 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.722 -5.347 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.632 -7.338 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.063 -6.502 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.316 -8.002 2.383 1.00 0.00 H new ATOM 136 N LEU A 13 -5.586 -6.963 3.495 1.00 0.00 N ATOM 137 CA LEU A 13 -6.703 -7.651 4.133 1.00 0.00 C ATOM 138 C LEU A 13 -7.223 -8.780 3.249 1.00 0.00 C ATOM 139 O LEU A 13 -7.614 -9.838 3.742 1.00 0.00 O ATOM 140 CB LEU A 13 -7.831 -6.663 4.434 1.00 0.00 C ATOM 141 CG LEU A 13 -7.530 -5.603 5.493 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.557 -4.482 5.434 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.498 -6.228 6.880 1.00 0.00 C ATOM 0 H LEU A 13 -5.839 -6.431 2.663 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.346 -8.082 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.100 -6.156 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.707 -7.228 4.753 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.548 -5.179 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.326 -3.737 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.530 -4.015 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.552 -4.890 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.282 -5.458 7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.466 -6.680 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.723 -6.994 6.916 1.00 0.00 H new ATOM 155 N TYR A 14 -7.222 -8.549 1.941 1.00 0.00 N ATOM 156 CA TYR A 14 -7.693 -9.547 0.988 1.00 0.00 C ATOM 157 C TYR A 14 -6.650 -9.801 -0.096 1.00 0.00 C ATOM 158 O TYR A 14 -5.645 -9.095 -0.184 1.00 0.00 O ATOM 159 CB TYR A 14 -9.007 -9.093 0.350 1.00 0.00 C ATOM 160 CG TYR A 14 -10.185 -9.128 1.298 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.872 -10.311 1.540 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.609 -7.979 1.953 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.948 -10.348 2.405 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.684 -8.006 2.821 1.00 0.00 C ATOM 165 CZ TYR A 14 -12.350 -9.193 3.043 1.00 0.00 C ATOM 166 OH TYR A 14 -13.422 -9.226 3.906 1.00 0.00 O ATOM 0 H TYR A 14 -6.900 -7.679 1.516 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.862 -10.478 1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.886 -8.078 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.223 -9.729 -0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.559 -11.217 1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.089 -7.048 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.472 -11.276 2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.001 -7.103 3.322 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.574 -8.330 4.273 1.00 0.00 H new ATOM 176 N ASP A 15 -6.897 -10.814 -0.919 1.00 0.00 N ATOM 177 CA ASP A 15 -5.981 -11.162 -2.000 1.00 0.00 C ATOM 178 C ASP A 15 -6.338 -10.410 -3.278 1.00 0.00 C ATOM 179 O ASP A 15 -7.449 -10.533 -3.794 1.00 0.00 O ATOM 180 CB ASP A 15 -6.010 -12.669 -2.256 1.00 0.00 C ATOM 181 CG ASP A 15 -7.339 -13.137 -2.815 1.00 0.00 C ATOM 182 OD1 ASP A 15 -8.385 -12.612 -2.377 1.00 0.00 O ATOM 183 OD2 ASP A 15 -7.334 -14.026 -3.691 1.00 0.00 O ATOM 0 H ASP A 15 -7.723 -11.409 -0.859 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.975 -10.872 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.214 -12.931 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.805 -13.197 -1.324 1.00 0.00 H new ATOM 188 N PHE A 16 -5.389 -9.629 -3.784 1.00 0.00 N ATOM 189 CA PHE A 16 -5.603 -8.855 -5.001 1.00 0.00 C ATOM 190 C PHE A 16 -4.531 -9.168 -6.040 1.00 0.00 C ATOM 191 O PHE A 16 -3.370 -9.395 -5.701 1.00 0.00 O ATOM 192 CB PHE A 16 -5.602 -7.358 -4.685 1.00 0.00 C ATOM 193 CG PHE A 16 -5.711 -6.488 -5.904 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.859 -6.502 -6.680 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.667 -5.655 -6.274 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.962 -5.703 -7.803 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.765 -4.854 -7.396 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.915 -4.877 -8.161 1.00 0.00 C ATOM 0 H PHE A 16 -4.464 -9.516 -3.370 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.574 -9.132 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.432 -7.136 -4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.685 -7.108 -4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.682 -7.144 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.766 -5.632 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.861 -5.725 -8.401 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.943 -4.211 -7.674 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.995 -4.250 -9.037 1.00 0.00 H new ATOM 208 N GLU A 17 -4.930 -9.178 -7.308 1.00 0.00 N ATOM 209 CA GLU A 17 -4.004 -9.465 -8.398 1.00 0.00 C ATOM 210 C GLU A 17 -4.059 -8.372 -9.461 1.00 0.00 C ATOM 211 O GLU A 17 -5.126 -7.868 -9.815 1.00 0.00 O ATOM 212 CB GLU A 17 -4.327 -10.821 -9.028 1.00 0.00 C ATOM 213 CG GLU A 17 -3.745 -12.000 -8.267 1.00 0.00 C ATOM 214 CD GLU A 17 -3.576 -13.230 -9.137 1.00 0.00 C ATOM 215 OE1 GLU A 17 -3.129 -13.081 -10.294 1.00 0.00 O ATOM 216 OE2 GLU A 17 -3.890 -14.342 -8.662 1.00 0.00 O ATOM 0 H GLU A 17 -5.887 -8.991 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.996 -9.496 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.409 -10.936 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.949 -10.837 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.778 -11.718 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.395 -12.241 -7.426 1.00 0.00 H new ATOM 223 N PRO A 18 -2.883 -7.994 -9.982 1.00 0.00 N ATOM 224 CA PRO A 18 -2.770 -6.957 -11.012 1.00 0.00 C ATOM 225 C PRO A 18 -3.331 -7.410 -12.355 1.00 0.00 C ATOM 226 O PRO A 18 -2.752 -8.268 -13.022 1.00 0.00 O ATOM 227 CB PRO A 18 -1.261 -6.722 -11.115 1.00 0.00 C ATOM 228 CG PRO A 18 -0.646 -7.999 -10.656 1.00 0.00 C ATOM 229 CD PRO A 18 -1.572 -8.550 -9.607 1.00 0.00 C ATOM 0 HA PRO A 18 -3.338 -6.063 -10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.966 -6.486 -12.137 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.947 -5.885 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.534 -8.698 -11.484 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.350 -7.828 -10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.582 -9.640 -9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.275 -8.239 -8.606 1.00 0.00 H new ATOM 237 N GLU A 19 -4.460 -6.828 -12.747 1.00 0.00 N ATOM 238 CA GLU A 19 -5.098 -7.174 -14.011 1.00 0.00 C ATOM 239 C GLU A 19 -4.616 -6.258 -15.133 1.00 0.00 C ATOM 240 O GLU A 19 -4.370 -6.706 -16.252 1.00 0.00 O ATOM 241 CB GLU A 19 -6.620 -7.082 -13.882 1.00 0.00 C ATOM 242 CG GLU A 19 -7.363 -7.451 -15.155 1.00 0.00 C ATOM 243 CD GLU A 19 -8.868 -7.355 -15.001 1.00 0.00 C ATOM 244 OE1 GLU A 19 -9.378 -6.226 -14.842 1.00 0.00 O ATOM 245 OE2 GLU A 19 -9.536 -8.409 -15.040 1.00 0.00 O ATOM 0 H GLU A 19 -4.951 -6.115 -12.208 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.823 -8.199 -14.258 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.948 -7.739 -13.077 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.891 -6.066 -13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.042 -6.793 -15.962 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.095 -8.467 -15.446 1.00 0.00 H new ATOM 252 N ASN A 20 -4.484 -4.972 -14.823 1.00 0.00 N ATOM 253 CA ASN A 20 -4.032 -3.992 -15.804 1.00 0.00 C ATOM 254 C ASN A 20 -2.584 -3.589 -15.544 1.00 0.00 C ATOM 255 O ASN A 20 -2.107 -3.650 -14.411 1.00 0.00 O ATOM 256 CB ASN A 20 -4.931 -2.754 -15.770 1.00 0.00 C ATOM 257 CG ASN A 20 -6.302 -3.019 -16.362 1.00 0.00 C ATOM 258 OD1 ASN A 20 -6.440 -3.772 -17.327 1.00 0.00 O ATOM 259 ND2 ASN A 20 -7.325 -2.400 -15.785 1.00 0.00 N ATOM 0 H ASN A 20 -4.684 -4.585 -13.901 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.091 -4.450 -16.791 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.042 -2.417 -14.739 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.451 -1.944 -16.320 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.271 -2.540 -16.139 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.165 -1.785 -14.987 1.00 0.00 H new ATOM 266 N GLU A 21 -1.891 -3.178 -16.601 1.00 0.00 N ATOM 267 CA GLU A 21 -0.497 -2.766 -16.486 1.00 0.00 C ATOM 268 C GLU A 21 -0.320 -1.752 -15.360 1.00 0.00 C ATOM 269 O GLU A 21 -1.276 -1.100 -14.942 1.00 0.00 O ATOM 270 CB GLU A 21 -0.008 -2.168 -17.807 1.00 0.00 C ATOM 271 CG GLU A 21 0.134 -3.190 -18.922 1.00 0.00 C ATOM 272 CD GLU A 21 0.702 -2.591 -20.194 1.00 0.00 C ATOM 273 OE1 GLU A 21 -0.059 -1.925 -20.927 1.00 0.00 O ATOM 274 OE2 GLU A 21 1.907 -2.786 -20.456 1.00 0.00 O ATOM 0 H GLU A 21 -2.272 -3.121 -17.546 1.00 0.00 H new ATOM 0 HA GLU A 21 0.098 -3.649 -16.253 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.704 -1.391 -18.124 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.955 -1.685 -17.643 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.781 -4.001 -18.586 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.841 -3.628 -19.135 1.00 0.00 H new ATOM 281 N GLY A 22 0.910 -1.625 -14.873 1.00 0.00 N ATOM 282 CA GLY A 22 1.190 -0.689 -13.799 1.00 0.00 C ATOM 283 C GLY A 22 0.348 -0.952 -12.567 1.00 0.00 C ATOM 284 O GLY A 22 -0.257 -0.034 -12.014 1.00 0.00 O ATOM 0 H GLY A 22 1.718 -2.153 -15.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.245 -0.750 -13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.008 0.327 -14.150 1.00 0.00 H new ATOM 288 N GLU A 23 0.307 -2.209 -12.136 1.00 0.00 N ATOM 289 CA GLU A 23 -0.470 -2.589 -10.963 1.00 0.00 C ATOM 290 C GLU A 23 0.316 -3.553 -10.078 1.00 0.00 C ATOM 291 O GLU A 23 0.931 -4.502 -10.567 1.00 0.00 O ATOM 292 CB GLU A 23 -1.793 -3.232 -11.386 1.00 0.00 C ATOM 293 CG GLU A 23 -2.822 -2.232 -11.886 1.00 0.00 C ATOM 294 CD GLU A 23 -4.244 -2.741 -11.750 1.00 0.00 C ATOM 295 OE1 GLU A 23 -4.494 -3.565 -10.845 1.00 0.00 O ATOM 296 OE2 GLU A 23 -5.105 -2.317 -12.548 1.00 0.00 O ATOM 0 H GLU A 23 0.803 -2.981 -12.582 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.680 -1.686 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.598 -3.963 -12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.210 -3.777 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.719 -1.301 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.621 -2.002 -12.932 1.00 0.00 H new ATOM 303 N LEU A 24 0.293 -3.302 -8.774 1.00 0.00 N ATOM 304 CA LEU A 24 1.003 -4.147 -7.820 1.00 0.00 C ATOM 305 C LEU A 24 0.027 -5.001 -7.017 1.00 0.00 C ATOM 306 O LEU A 24 -0.961 -4.498 -6.483 1.00 0.00 O ATOM 307 CB LEU A 24 1.843 -3.286 -6.874 1.00 0.00 C ATOM 308 CG LEU A 24 2.569 -4.033 -5.754 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.808 -4.730 -6.293 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.939 -3.077 -4.629 1.00 0.00 C ATOM 0 H LEU A 24 -0.209 -2.521 -8.353 1.00 0.00 H new ATOM 0 HA LEU A 24 1.662 -4.811 -8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.584 -2.749 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.192 -2.537 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 24 1.897 -4.792 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.311 -5.256 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.518 -5.444 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.485 -3.990 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.455 -3.625 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.594 -2.296 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.034 -2.624 -4.224 1.00 0.00 H new ATOM 322 N GLY A 25 0.313 -6.297 -6.933 1.00 0.00 N ATOM 323 CA GLY A 25 -0.547 -7.200 -6.192 1.00 0.00 C ATOM 324 C GLY A 25 -0.017 -7.496 -4.803 1.00 0.00 C ATOM 325 O GLY A 25 1.194 -7.566 -4.594 1.00 0.00 O ATOM 0 H GLY A 25 1.125 -6.737 -7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.543 -6.765 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.650 -8.134 -6.745 1.00 0.00 H new ATOM 329 N PHE A 26 -0.926 -7.670 -3.849 1.00 0.00 N ATOM 330 CA PHE A 26 -0.544 -7.957 -2.472 1.00 0.00 C ATOM 331 C PHE A 26 -1.210 -9.238 -1.978 1.00 0.00 C ATOM 332 O PHE A 26 -2.055 -9.816 -2.662 1.00 0.00 O ATOM 333 CB PHE A 26 -0.923 -6.788 -1.560 1.00 0.00 C ATOM 334 CG PHE A 26 -2.320 -6.284 -1.782 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.406 -7.137 -1.662 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.549 -4.958 -2.111 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.693 -6.677 -1.865 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.834 -4.492 -2.314 1.00 0.00 C ATOM 339 CZ PHE A 26 -4.907 -5.352 -2.193 1.00 0.00 C ATOM 0 H PHE A 26 -1.933 -7.617 -4.005 1.00 0.00 H new ATOM 0 HA PHE A 26 0.537 -8.096 -2.443 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.818 -7.100 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.220 -5.970 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.244 -8.174 -1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.714 -4.281 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.530 -7.352 -1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.999 -3.455 -2.567 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.912 -4.990 -2.354 1.00 0.00 H new ATOM 349 N LYS A 27 -0.822 -9.678 -0.786 1.00 0.00 N ATOM 350 CA LYS A 27 -1.380 -10.890 -0.198 1.00 0.00 C ATOM 351 C LYS A 27 -1.858 -10.633 1.228 1.00 0.00 C ATOM 352 O LYS A 27 -1.163 -9.996 2.019 1.00 0.00 O ATOM 353 CB LYS A 27 -0.338 -12.011 -0.204 1.00 0.00 C ATOM 354 CG LYS A 27 0.166 -12.365 -1.593 1.00 0.00 C ATOM 355 CD LYS A 27 -0.651 -13.486 -2.214 1.00 0.00 C ATOM 356 CE LYS A 27 -1.799 -12.942 -3.050 1.00 0.00 C ATOM 357 NZ LYS A 27 -1.391 -12.701 -4.462 1.00 0.00 N ATOM 0 H LYS A 27 -0.122 -9.213 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.236 -11.195 -0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.508 -11.713 0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.771 -12.900 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.121 -11.484 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.212 -12.665 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.006 -14.105 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.045 -14.129 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.630 -13.646 -3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.158 -12.011 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.201 -12.331 -4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.614 -12.010 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.072 -13.594 -4.889 1.00 0.00 H new ATOM 371 N GLU A 28 -3.046 -11.136 1.549 1.00 0.00 N ATOM 372 CA GLU A 28 -3.614 -10.960 2.880 1.00 0.00 C ATOM 373 C GLU A 28 -2.550 -11.156 3.956 1.00 0.00 C ATOM 374 O GLU A 28 -1.975 -12.236 4.087 1.00 0.00 O ATOM 375 CB GLU A 28 -4.765 -11.944 3.101 1.00 0.00 C ATOM 376 CG GLU A 28 -5.333 -11.910 4.510 1.00 0.00 C ATOM 377 CD GLU A 28 -6.204 -13.113 4.817 1.00 0.00 C ATOM 378 OE1 GLU A 28 -5.647 -14.172 5.174 1.00 0.00 O ATOM 379 OE2 GLU A 28 -7.442 -12.995 4.701 1.00 0.00 O ATOM 0 H GLU A 28 -3.633 -11.668 0.906 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.996 -9.942 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.562 -11.723 2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.416 -12.953 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.513 -11.867 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.918 -11.000 4.640 1.00 0.00 H new ATOM 386 N GLY A 29 -2.293 -10.102 4.724 1.00 0.00 N ATOM 387 CA GLY A 29 -1.298 -10.177 5.778 1.00 0.00 C ATOM 388 C GLY A 29 0.023 -9.552 5.375 1.00 0.00 C ATOM 389 O GLY A 29 0.651 -8.847 6.165 1.00 0.00 O ATOM 0 H GLY A 29 -2.756 -9.197 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.677 -9.675 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.136 -11.221 6.046 1.00 0.00 H new ATOM 393 N ASP A 30 0.446 -9.812 4.143 1.00 0.00 N ATOM 394 CA ASP A 30 1.702 -9.270 3.636 1.00 0.00 C ATOM 395 C ASP A 30 1.682 -7.745 3.653 1.00 0.00 C ATOM 396 O ASP A 30 0.817 -7.119 3.040 1.00 0.00 O ATOM 397 CB ASP A 30 1.962 -9.773 2.215 1.00 0.00 C ATOM 398 CG ASP A 30 2.606 -11.146 2.196 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.876 -12.147 2.348 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.842 -11.218 2.027 1.00 0.00 O ATOM 0 H ASP A 30 -0.062 -10.394 3.477 1.00 0.00 H new ATOM 0 HA ASP A 30 2.506 -9.612 4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.020 -9.809 1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.607 -9.065 1.694 1.00 0.00 H new ATOM 405 N ILE A 31 2.640 -7.154 4.359 1.00 0.00 N ATOM 406 CA ILE A 31 2.732 -5.703 4.456 1.00 0.00 C ATOM 407 C ILE A 31 3.494 -5.120 3.271 1.00 0.00 C ATOM 408 O ILE A 31 4.502 -5.676 2.834 1.00 0.00 O ATOM 409 CB ILE A 31 3.424 -5.268 5.761 1.00 0.00 C ATOM 410 CG1 ILE A 31 2.465 -5.410 6.945 1.00 0.00 C ATOM 411 CG2 ILE A 31 3.923 -3.836 5.645 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.192 -6.846 7.333 1.00 0.00 C ATOM 0 H ILE A 31 3.363 -7.658 4.872 1.00 0.00 H new ATOM 0 HA ILE A 31 1.711 -5.322 4.452 1.00 0.00 H new ATOM 0 HB ILE A 31 4.282 -5.918 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.881 -4.883 7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.521 -4.923 6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.410 -3.544 6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.637 -3.765 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.081 -3.172 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.505 -6.870 8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.747 -7.373 6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.127 -7.332 7.612 1.00 0.00 H new ATOM 424 N ILE A 32 3.007 -3.996 2.756 1.00 0.00 N ATOM 425 CA ILE A 32 3.644 -3.336 1.624 1.00 0.00 C ATOM 426 C ILE A 32 4.188 -1.967 2.019 1.00 0.00 C ATOM 427 O ILE A 32 3.441 -1.092 2.457 1.00 0.00 O ATOM 428 CB ILE A 32 2.665 -3.166 0.447 1.00 0.00 C ATOM 429 CG1 ILE A 32 2.080 -4.521 0.043 1.00 0.00 C ATOM 430 CG2 ILE A 32 3.365 -2.511 -0.734 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.829 -4.892 0.808 1.00 0.00 C ATOM 0 H ILE A 32 2.173 -3.524 3.105 1.00 0.00 H new ATOM 0 HA ILE A 32 4.469 -3.976 1.311 1.00 0.00 H new ATOM 0 HB ILE A 32 1.847 -2.518 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.853 -4.506 -1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.833 -5.293 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.660 -2.398 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.738 -1.530 -0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.200 -3.135 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.470 -5.864 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.055 -4.940 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.059 -4.140 0.633 1.00 0.00 H new ATOM 443 N THR A 33 5.496 -1.788 1.861 1.00 0.00 N ATOM 444 CA THR A 33 6.141 -0.526 2.201 1.00 0.00 C ATOM 445 C THR A 33 5.415 0.652 1.562 1.00 0.00 C ATOM 446 O THR A 33 4.792 0.513 0.508 1.00 0.00 O ATOM 447 CB THR A 33 7.615 -0.510 1.754 1.00 0.00 C ATOM 448 OG1 THR A 33 8.296 -1.659 2.270 1.00 0.00 O ATOM 449 CG2 THR A 33 8.311 0.756 2.231 1.00 0.00 C ATOM 0 H THR A 33 6.129 -2.501 1.500 1.00 0.00 H new ATOM 0 HA THR A 33 6.097 -0.431 3.286 1.00 0.00 H new ATOM 0 HB THR A 33 7.642 -0.532 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.232 -1.642 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.351 0.745 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.808 1.628 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.274 0.804 3.319 1.00 0.00 H new ATOM 457 N LEU A 34 5.499 1.812 2.205 1.00 0.00 N ATOM 458 CA LEU A 34 4.850 3.016 1.698 1.00 0.00 C ATOM 459 C LEU A 34 5.882 4.078 1.333 1.00 0.00 C ATOM 460 O LEU A 34 6.772 4.392 2.123 1.00 0.00 O ATOM 461 CB LEU A 34 3.876 3.571 2.740 1.00 0.00 C ATOM 462 CG LEU A 34 2.668 2.692 3.065 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.073 3.080 4.410 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.621 2.797 1.967 1.00 0.00 C ATOM 0 H LEU A 34 6.010 1.944 3.078 1.00 0.00 H new ATOM 0 HA LEU A 34 4.296 2.749 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.427 3.752 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.513 4.538 2.390 1.00 0.00 H new ATOM 0 HG LEU A 34 3.002 1.656 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.214 2.444 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.823 2.952 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.754 4.122 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.769 2.165 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.291 3.832 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.052 2.470 1.021 1.00 0.00 H new ATOM 476 N THR A 35 5.755 4.630 0.130 1.00 0.00 N ATOM 477 CA THR A 35 6.675 5.657 -0.340 1.00 0.00 C ATOM 478 C THR A 35 5.947 6.972 -0.597 1.00 0.00 C ATOM 479 O THR A 35 6.321 8.014 -0.061 1.00 0.00 O ATOM 480 CB THR A 35 7.393 5.221 -1.631 1.00 0.00 C ATOM 481 OG1 THR A 35 6.431 4.875 -2.634 1.00 0.00 O ATOM 482 CG2 THR A 35 8.306 4.033 -1.367 1.00 0.00 C ATOM 0 H THR A 35 5.023 4.382 -0.536 1.00 0.00 H new ATOM 0 HA THR A 35 7.415 5.802 0.447 1.00 0.00 H new ATOM 0 HB THR A 35 8.000 6.055 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.676 4.411 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.802 3.743 -2.293 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.055 4.308 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.716 3.196 -0.994 1.00 0.00 H new ATOM 490 N ASN A 36 4.905 6.915 -1.420 1.00 0.00 N ATOM 491 CA ASN A 36 4.124 8.102 -1.748 1.00 0.00 C ATOM 492 C ASN A 36 2.706 7.723 -2.163 1.00 0.00 C ATOM 493 O ASN A 36 2.383 6.543 -2.296 1.00 0.00 O ATOM 494 CB ASN A 36 4.802 8.891 -2.870 1.00 0.00 C ATOM 495 CG ASN A 36 5.783 9.920 -2.342 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.465 10.687 -1.433 1.00 0.00 O ATOM 497 ND2 ASN A 36 6.982 9.942 -2.912 1.00 0.00 N ATOM 0 H ASN A 36 4.582 6.060 -1.872 1.00 0.00 H new ATOM 0 HA ASN A 36 4.068 8.727 -0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.325 8.200 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.042 9.392 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.683 10.614 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.202 9.287 -3.663 1.00 0.00 H new ATOM 504 N GLN A 37 1.865 8.732 -2.368 1.00 0.00 N ATOM 505 CA GLN A 37 0.482 8.503 -2.768 1.00 0.00 C ATOM 506 C GLN A 37 0.166 9.227 -4.072 1.00 0.00 C ATOM 507 O GLN A 37 0.512 10.396 -4.244 1.00 0.00 O ATOM 508 CB GLN A 37 -0.473 8.970 -1.668 1.00 0.00 C ATOM 509 CG GLN A 37 -1.936 8.946 -2.081 1.00 0.00 C ATOM 510 CD GLN A 37 -2.814 9.777 -1.168 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.478 10.912 -0.828 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.948 9.216 -0.764 1.00 0.00 N ATOM 0 H GLN A 37 2.117 9.715 -2.264 1.00 0.00 H new ATOM 0 HA GLN A 37 0.348 7.433 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.341 8.336 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.204 9.984 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.027 9.316 -3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.292 7.916 -2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.188 8.273 -1.070 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.579 9.728 -0.148 1.00 0.00 H new ATOM 521 N ILE A 38 -0.492 8.525 -4.989 1.00 0.00 N ATOM 522 CA ILE A 38 -0.855 9.102 -6.277 1.00 0.00 C ATOM 523 C ILE A 38 -2.345 9.424 -6.336 1.00 0.00 C ATOM 524 O ILE A 38 -2.740 10.500 -6.783 1.00 0.00 O ATOM 525 CB ILE A 38 -0.500 8.154 -7.438 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.016 7.971 -7.531 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.056 8.691 -8.749 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.536 6.812 -6.710 1.00 0.00 C ATOM 0 H ILE A 38 -0.784 7.556 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.283 10.024 -6.382 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.953 7.181 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.292 7.819 -8.574 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.505 8.888 -7.202 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.797 8.010 -9.560 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.140 8.774 -8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.629 9.674 -8.950 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.618 6.742 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.291 6.971 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.075 5.886 -7.054 1.00 0.00 H new ATOM 540 N ASP A 39 -3.166 8.485 -5.879 1.00 0.00 N ATOM 541 CA ASP A 39 -4.612 8.669 -5.877 1.00 0.00 C ATOM 542 C ASP A 39 -5.122 8.945 -4.466 1.00 0.00 C ATOM 543 O ASP A 39 -4.345 8.991 -3.513 1.00 0.00 O ATOM 544 CB ASP A 39 -5.306 7.433 -6.450 1.00 0.00 C ATOM 545 CG ASP A 39 -4.522 6.801 -7.583 1.00 0.00 C ATOM 546 OD1 ASP A 39 -3.328 6.496 -7.380 1.00 0.00 O ATOM 547 OD2 ASP A 39 -5.101 6.614 -8.674 1.00 0.00 O ATOM 0 H ASP A 39 -2.854 7.589 -5.505 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.845 9.530 -6.504 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.448 6.699 -5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.297 7.710 -6.809 1.00 0.00 H new ATOM 552 N GLU A 40 -6.433 9.130 -4.341 1.00 0.00 N ATOM 553 CA GLU A 40 -7.045 9.404 -3.046 1.00 0.00 C ATOM 554 C GLU A 40 -7.352 8.106 -2.304 1.00 0.00 C ATOM 555 O GLU A 40 -7.579 8.109 -1.095 1.00 0.00 O ATOM 556 CB GLU A 40 -8.329 10.217 -3.226 1.00 0.00 C ATOM 557 CG GLU A 40 -8.081 11.690 -3.509 1.00 0.00 C ATOM 558 CD GLU A 40 -7.571 12.439 -2.293 1.00 0.00 C ATOM 559 OE1 GLU A 40 -8.348 12.608 -1.330 1.00 0.00 O ATOM 560 OE2 GLU A 40 -6.394 12.856 -2.305 1.00 0.00 O ATOM 0 H GLU A 40 -7.091 9.095 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.337 9.983 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.908 9.790 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.936 10.126 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.358 11.784 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.007 12.151 -3.853 1.00 0.00 H new ATOM 567 N ASN A 41 -7.358 6.999 -3.039 1.00 0.00 N ATOM 568 CA ASN A 41 -7.638 5.693 -2.451 1.00 0.00 C ATOM 569 C ASN A 41 -6.561 4.683 -2.832 1.00 0.00 C ATOM 570 O ASN A 41 -6.721 3.480 -2.621 1.00 0.00 O ATOM 571 CB ASN A 41 -9.010 5.190 -2.907 1.00 0.00 C ATOM 572 CG ASN A 41 -10.125 5.632 -1.980 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.278 5.105 -0.878 1.00 0.00 O ATOM 574 ND2 ASN A 41 -10.912 6.606 -2.423 1.00 0.00 N ATOM 0 H ASN A 41 -7.172 6.979 -4.042 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.640 5.803 -1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.212 5.556 -3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.996 4.101 -2.960 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.679 6.945 -1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.749 7.015 -3.343 1.00 0.00 H new ATOM 581 N TRP A 42 -5.464 5.179 -3.393 1.00 0.00 N ATOM 582 CA TRP A 42 -4.360 4.319 -3.803 1.00 0.00 C ATOM 583 C TRP A 42 -3.041 4.810 -3.216 1.00 0.00 C ATOM 584 O TRP A 42 -2.885 5.996 -2.921 1.00 0.00 O ATOM 585 CB TRP A 42 -4.265 4.267 -5.329 1.00 0.00 C ATOM 586 CG TRP A 42 -5.528 3.799 -5.986 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.746 4.416 -5.955 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.697 2.613 -6.770 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.662 3.685 -6.673 1.00 0.00 N ATOM 590 CE2 TRP A 42 -7.043 2.575 -7.184 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.842 1.581 -7.165 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.551 1.545 -7.971 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.347 0.559 -7.946 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.691 0.547 -8.343 1.00 0.00 C ATOM 0 H TRP A 42 -5.315 6.172 -3.574 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.554 3.316 -3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.014 5.259 -5.704 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.448 3.603 -5.613 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.958 5.342 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.644 3.929 -6.804 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.804 1.582 -6.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.587 1.534 -8.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.695 -0.244 -8.256 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.055 -0.265 -8.954 1.00 0.00 H new ATOM 605 N TYR A 43 -2.095 3.893 -3.049 1.00 0.00 N ATOM 606 CA TYR A 43 -0.789 4.234 -2.495 1.00 0.00 C ATOM 607 C TYR A 43 0.334 3.677 -3.364 1.00 0.00 C ATOM 608 O TYR A 43 0.092 2.890 -4.280 1.00 0.00 O ATOM 609 CB TYR A 43 -0.661 3.695 -1.069 1.00 0.00 C ATOM 610 CG TYR A 43 -1.454 4.482 -0.051 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.438 5.871 -0.050 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.221 3.835 0.911 1.00 0.00 C ATOM 613 CE1 TYR A 43 -2.160 6.593 0.879 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.948 4.550 1.844 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.914 5.929 1.824 1.00 0.00 C ATOM 616 OH TYR A 43 -3.637 6.645 2.750 1.00 0.00 O ATOM 0 H TYR A 43 -2.207 2.908 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.703 5.320 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.992 2.657 -1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.390 3.700 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.850 6.395 -0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.249 2.756 0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.135 7.673 0.866 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.539 4.032 2.585 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.113 6.026 3.342 1.00 0.00 H new ATOM 626 N GLU A 44 1.562 4.090 -3.070 1.00 0.00 N ATOM 627 CA GLU A 44 2.723 3.633 -3.824 1.00 0.00 C ATOM 628 C GLU A 44 3.800 3.089 -2.890 1.00 0.00 C ATOM 629 O GLU A 44 4.035 3.635 -1.812 1.00 0.00 O ATOM 630 CB GLU A 44 3.293 4.776 -4.667 1.00 0.00 C ATOM 631 CG GLU A 44 4.557 4.402 -5.424 1.00 0.00 C ATOM 632 CD GLU A 44 4.280 3.506 -6.615 1.00 0.00 C ATOM 633 OE1 GLU A 44 3.460 2.574 -6.480 1.00 0.00 O ATOM 634 OE2 GLU A 44 4.883 3.738 -7.684 1.00 0.00 O ATOM 0 H GLU A 44 1.779 4.740 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 44 2.401 2.829 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.536 5.103 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.506 5.624 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.054 5.310 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.246 3.897 -4.747 1.00 0.00 H new ATOM 641 N GLY A 45 4.450 2.009 -3.311 1.00 0.00 N ATOM 642 CA GLY A 45 5.494 1.408 -2.500 1.00 0.00 C ATOM 643 C GLY A 45 6.272 0.346 -3.251 1.00 0.00 C ATOM 644 O GLY A 45 6.057 0.137 -4.445 1.00 0.00 O ATOM 0 H GLY A 45 4.273 1.539 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.179 2.185 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.048 0.966 -1.609 1.00 0.00 H new ATOM 648 N MET A 46 7.179 -0.327 -2.551 1.00 0.00 N ATOM 649 CA MET A 46 7.992 -1.374 -3.159 1.00 0.00 C ATOM 650 C MET A 46 7.695 -2.730 -2.527 1.00 0.00 C ATOM 651 O MET A 46 7.835 -2.905 -1.315 1.00 0.00 O ATOM 652 CB MET A 46 9.478 -1.044 -3.014 1.00 0.00 C ATOM 653 CG MET A 46 10.038 -0.236 -4.173 1.00 0.00 C ATOM 654 SD MET A 46 11.679 0.428 -3.829 1.00 0.00 S ATOM 655 CE MET A 46 11.270 1.800 -2.753 1.00 0.00 C ATOM 0 H MET A 46 7.370 -0.166 -1.562 1.00 0.00 H new ATOM 0 HA MET A 46 7.741 -1.425 -4.218 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.630 -0.489 -2.088 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.041 -1.973 -2.924 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.084 -0.866 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.358 0.585 -4.400 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.709 2.716 -3.148 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.187 1.911 -2.700 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.664 1.610 -1.755 1.00 0.00 H new ATOM 665 N LEU A 47 7.284 -3.686 -3.352 1.00 0.00 N ATOM 666 CA LEU A 47 6.968 -5.027 -2.873 1.00 0.00 C ATOM 667 C LEU A 47 7.390 -6.082 -3.890 1.00 0.00 C ATOM 668 O LEU A 47 7.026 -6.010 -5.064 1.00 0.00 O ATOM 669 CB LEU A 47 5.470 -5.147 -2.588 1.00 0.00 C ATOM 670 CG LEU A 47 5.007 -6.470 -1.977 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.280 -6.491 -0.481 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.528 -6.698 -2.254 1.00 0.00 C ATOM 0 H LEU A 47 7.162 -3.558 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 47 7.522 -5.197 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.183 -4.339 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.929 -4.992 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 47 5.571 -7.279 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.944 -7.440 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.349 -6.375 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.743 -5.673 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.217 -7.644 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.947 -5.885 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.360 -6.728 -3.331 1.00 0.00 H new ATOM 684 N HIS A 48 8.160 -7.064 -3.431 1.00 0.00 N ATOM 685 CA HIS A 48 8.630 -8.137 -4.300 1.00 0.00 C ATOM 686 C HIS A 48 9.482 -7.582 -5.437 1.00 0.00 C ATOM 687 O HIS A 48 9.372 -8.020 -6.581 1.00 0.00 O ATOM 688 CB HIS A 48 7.444 -8.917 -4.870 1.00 0.00 C ATOM 689 CG HIS A 48 6.744 -9.768 -3.856 1.00 0.00 C ATOM 690 ND1 HIS A 48 5.478 -9.716 -3.379 1.00 0.00 N flip ATOM 691 CD2 HIS A 48 7.353 -10.821 -3.208 1.00 0.00 C flip ATOM 692 CE1 HIS A 48 5.347 -10.729 -2.461 1.00 0.00 C flip ATOM 693 NE2 HIS A 48 6.492 -11.381 -2.377 1.00 0.00 N flip ATOM 0 H HIS A 48 8.471 -7.139 -2.463 1.00 0.00 H new ATOM 0 HA HIS A 48 9.246 -8.810 -3.704 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.729 -8.214 -5.298 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.794 -9.551 -5.685 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.374 -11.139 -3.356 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.453 -10.955 -1.899 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.680 -12.181 -1.773 1.00 0.00 H new ATOM 702 N GLY A 49 10.333 -6.612 -5.113 1.00 0.00 N ATOM 703 CA GLY A 49 11.191 -6.012 -6.118 1.00 0.00 C ATOM 704 C GLY A 49 10.405 -5.333 -7.221 1.00 0.00 C ATOM 705 O GLY A 49 10.895 -5.181 -8.340 1.00 0.00 O ATOM 0 H GLY A 49 10.443 -6.232 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.848 -5.283 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.830 -6.781 -6.552 1.00 0.00 H new ATOM 709 N HIS A 50 9.179 -4.925 -6.907 1.00 0.00 N ATOM 710 CA HIS A 50 8.322 -4.259 -7.881 1.00 0.00 C ATOM 711 C HIS A 50 7.698 -3.000 -7.286 1.00 0.00 C ATOM 712 O HIS A 50 7.432 -2.936 -6.086 1.00 0.00 O ATOM 713 CB HIS A 50 7.224 -5.209 -8.360 1.00 0.00 C ATOM 714 CG HIS A 50 7.748 -6.452 -9.010 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.711 -6.436 -9.996 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.439 -7.754 -8.808 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.971 -7.675 -10.375 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.213 -8.494 -9.669 1.00 0.00 N ATOM 0 H HIS A 50 8.757 -5.044 -5.986 1.00 0.00 H new ATOM 0 HA HIS A 50 8.939 -3.970 -8.732 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.601 -5.488 -7.510 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.582 -4.682 -9.066 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.718 -8.139 -8.102 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.682 -7.968 -11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.204 -9.511 -9.750 1.00 0.00 H new ATOM 727 N SER A 51 7.470 -2.001 -8.133 1.00 0.00 N ATOM 728 CA SER A 51 6.882 -0.743 -7.689 1.00 0.00 C ATOM 729 C SER A 51 5.581 -0.458 -8.434 1.00 0.00 C ATOM 730 O SER A 51 5.587 -0.187 -9.634 1.00 0.00 O ATOM 731 CB SER A 51 7.867 0.408 -7.903 1.00 0.00 C ATOM 732 OG SER A 51 7.537 1.520 -7.089 1.00 0.00 O ATOM 0 H SER A 51 7.683 -2.039 -9.130 1.00 0.00 H new ATOM 0 HA SER A 51 6.660 -0.830 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.878 0.073 -7.673 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.860 0.706 -8.951 1.00 0.00 H new ATOM 0 HG SER A 51 7.089 1.208 -6.275 1.00 0.00 H new ATOM 738 N GLY A 52 4.467 -0.522 -7.712 1.00 0.00 N ATOM 739 CA GLY A 52 3.173 -0.270 -8.320 1.00 0.00 C ATOM 740 C GLY A 52 2.164 0.276 -7.330 1.00 0.00 C ATOM 741 O GLY A 52 2.392 0.248 -6.120 1.00 0.00 O ATOM 0 H GLY A 52 4.437 -0.744 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.292 0.438 -9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.791 -1.196 -8.750 1.00 0.00 H new ATOM 745 N PHE A 53 1.045 0.777 -7.843 1.00 0.00 N ATOM 746 CA PHE A 53 -0.002 1.334 -6.996 1.00 0.00 C ATOM 747 C PHE A 53 -1.003 0.257 -6.588 1.00 0.00 C ATOM 748 O PHE A 53 -1.259 -0.684 -7.339 1.00 0.00 O ATOM 749 CB PHE A 53 -0.726 2.470 -7.723 1.00 0.00 C ATOM 750 CG PHE A 53 0.161 3.246 -8.654 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.360 3.779 -8.207 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.204 3.444 -9.976 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.177 4.494 -9.062 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.609 4.158 -10.835 1.00 0.00 C ATOM 755 CZ PHE A 53 1.802 4.683 -10.378 1.00 0.00 C ATOM 0 H PHE A 53 0.840 0.808 -8.842 1.00 0.00 H new ATOM 0 HA PHE A 53 0.467 1.729 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.560 2.055 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.150 3.151 -6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.659 3.634 -7.179 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.135 3.035 -10.339 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.108 4.905 -8.701 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.312 4.306 -11.863 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.440 5.240 -11.048 1.00 0.00 H new ATOM 765 N PHE A 54 -1.566 0.403 -5.393 1.00 0.00 N ATOM 766 CA PHE A 54 -2.538 -0.558 -4.884 1.00 0.00 C ATOM 767 C PHE A 54 -3.648 0.149 -4.112 1.00 0.00 C ATOM 768 O PHE A 54 -3.477 1.258 -3.604 1.00 0.00 O ATOM 769 CB PHE A 54 -1.849 -1.584 -3.982 1.00 0.00 C ATOM 770 CG PHE A 54 -0.874 -0.974 -3.016 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.370 -0.541 -3.446 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.202 -0.833 -1.677 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.269 0.021 -2.559 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.308 -0.271 -0.786 1.00 0.00 C ATOM 775 CZ PHE A 54 0.930 0.155 -1.227 1.00 0.00 C ATOM 0 H PHE A 54 -1.366 1.177 -4.759 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.982 -1.073 -5.736 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.608 -2.132 -3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.326 -2.310 -4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.640 -0.644 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.167 -1.166 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.235 0.355 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.577 -0.165 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.631 0.592 -0.531 1.00 0.00 H new ATOM 785 N PRO A 55 -4.815 -0.506 -4.022 1.00 0.00 N ATOM 786 CA PRO A 55 -5.977 0.040 -3.314 1.00 0.00 C ATOM 787 C PRO A 55 -5.770 0.079 -1.804 1.00 0.00 C ATOM 788 O PRO A 55 -4.967 -0.678 -1.258 1.00 0.00 O ATOM 789 CB PRO A 55 -7.102 -0.934 -3.674 1.00 0.00 C ATOM 790 CG PRO A 55 -6.408 -2.214 -3.989 1.00 0.00 C ATOM 791 CD PRO A 55 -5.090 -1.831 -4.603 1.00 0.00 C ATOM 0 HA PRO A 55 -6.180 1.072 -3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.800 -1.056 -2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.678 -0.576 -4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.260 -2.810 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.998 -2.819 -4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.308 -2.549 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.151 -1.788 -5.690 1.00 0.00 H new ATOM 799 N ILE A 56 -6.499 0.966 -1.134 1.00 0.00 N ATOM 800 CA ILE A 56 -6.396 1.101 0.313 1.00 0.00 C ATOM 801 C ILE A 56 -7.481 0.296 1.020 1.00 0.00 C ATOM 802 O ILE A 56 -7.252 -0.268 2.089 1.00 0.00 O ATOM 803 CB ILE A 56 -6.501 2.575 0.749 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.381 3.399 0.110 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.446 2.684 2.266 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.574 4.893 0.252 1.00 0.00 C ATOM 0 H ILE A 56 -7.167 1.601 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.417 0.714 0.597 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.458 2.972 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.430 3.119 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.315 3.148 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.521 3.731 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.275 2.125 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.503 2.274 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.743 5.414 -0.224 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.508 5.186 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.610 5.156 1.309 1.00 0.00 H new ATOM 818 N ASN A 57 -8.663 0.245 0.414 1.00 0.00 N ATOM 819 CA ASN A 57 -9.784 -0.493 0.984 1.00 0.00 C ATOM 820 C ASN A 57 -9.407 -1.951 1.229 1.00 0.00 C ATOM 821 O ASN A 57 -10.116 -2.678 1.925 1.00 0.00 O ATOM 822 CB ASN A 57 -10.997 -0.418 0.054 1.00 0.00 C ATOM 823 CG ASN A 57 -11.836 0.822 0.298 1.00 0.00 C ATOM 824 OD1 ASN A 57 -11.860 1.740 -0.522 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.530 0.853 1.430 1.00 0.00 N ATOM 0 H ASN A 57 -8.869 0.706 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.039 -0.036 1.940 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.658 -0.426 -0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.615 -1.305 0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.113 1.661 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.480 0.069 2.081 1.00 0.00 H new ATOM 832 N TYR A 58 -8.285 -2.370 0.655 1.00 0.00 N ATOM 833 CA TYR A 58 -7.814 -3.742 0.809 1.00 0.00 C ATOM 834 C TYR A 58 -6.705 -3.822 1.854 1.00 0.00 C ATOM 835 O TYR A 58 -6.607 -4.798 2.599 1.00 0.00 O ATOM 836 CB TYR A 58 -7.309 -4.284 -0.529 1.00 0.00 C ATOM 837 CG TYR A 58 -8.381 -4.965 -1.349 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.248 -5.883 -0.771 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.526 -4.689 -2.704 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.228 -6.509 -1.517 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.504 -5.309 -3.457 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.352 -6.218 -2.860 1.00 0.00 C ATOM 843 OH TYR A 58 -11.328 -6.838 -3.606 1.00 0.00 O ATOM 0 H TYR A 58 -7.685 -1.780 0.079 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.652 -4.351 1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.887 -3.463 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.501 -4.991 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.155 -6.112 0.280 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.863 -3.978 -3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.893 -7.222 -1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.604 -5.083 -4.508 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.282 -6.522 -4.533 1.00 0.00 H new ATOM 853 N VAL A 59 -5.872 -2.788 1.904 1.00 0.00 N ATOM 854 CA VAL A 59 -4.771 -2.739 2.859 1.00 0.00 C ATOM 855 C VAL A 59 -5.004 -1.662 3.912 1.00 0.00 C ATOM 856 O VAL A 59 -5.283 -0.510 3.584 1.00 0.00 O ATOM 857 CB VAL A 59 -3.428 -2.470 2.153 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.200 -3.477 1.037 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.386 -1.047 1.616 1.00 0.00 C ATOM 0 H VAL A 59 -5.938 -1.973 1.295 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.729 -3.714 3.345 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.625 -2.584 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.247 -3.271 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.185 -4.484 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.005 -3.399 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.431 -0.873 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.197 -0.904 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.500 -0.343 2.441 1.00 0.00 H new ATOM 869 N GLU A 60 -4.887 -2.046 5.180 1.00 0.00 N ATOM 870 CA GLU A 60 -5.086 -1.113 6.282 1.00 0.00 C ATOM 871 C GLU A 60 -3.820 -0.300 6.541 1.00 0.00 C ATOM 872 O GLU A 60 -2.708 -0.770 6.300 1.00 0.00 O ATOM 873 CB GLU A 60 -5.490 -1.866 7.551 1.00 0.00 C ATOM 874 CG GLU A 60 -6.337 -1.040 8.505 1.00 0.00 C ATOM 875 CD GLU A 60 -5.520 -0.027 9.283 1.00 0.00 C ATOM 876 OE1 GLU A 60 -4.320 -0.284 9.514 1.00 0.00 O ATOM 877 OE2 GLU A 60 -6.081 1.023 9.660 1.00 0.00 O ATOM 0 H GLU A 60 -4.655 -2.997 5.469 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.887 -0.428 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.043 -2.763 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.590 -2.196 8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.111 -0.520 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.844 -1.705 9.203 1.00 0.00 H new ATOM 884 N ILE A 61 -3.999 0.922 7.033 1.00 0.00 N ATOM 885 CA ILE A 61 -2.873 1.799 7.325 1.00 0.00 C ATOM 886 C ILE A 61 -2.594 1.855 8.823 1.00 0.00 C ATOM 887 O ILE A 61 -3.444 2.277 9.609 1.00 0.00 O ATOM 888 CB ILE A 61 -3.124 3.228 6.807 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.336 3.215 5.292 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.961 4.137 7.177 1.00 0.00 C ATOM 891 CD1 ILE A 61 -2.222 2.529 4.532 1.00 0.00 C ATOM 0 H ILE A 61 -4.913 1.326 7.237 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.006 1.382 6.812 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.027 3.616 7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.278 2.715 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.428 4.242 4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.153 5.143 6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.853 4.166 8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.043 3.754 6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.439 2.557 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.280 3.043 4.725 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.143 1.492 4.859 1.00 0.00 H new ATOM 903 N LEU A 62 -1.397 1.430 9.212 1.00 0.00 N ATOM 904 CA LEU A 62 -1.004 1.433 10.617 1.00 0.00 C ATOM 905 C LEU A 62 -0.191 2.679 10.952 1.00 0.00 C ATOM 906 O LEU A 62 -0.372 3.286 12.008 1.00 0.00 O ATOM 907 CB LEU A 62 -0.192 0.178 10.943 1.00 0.00 C ATOM 908 CG LEU A 62 -0.780 -1.147 10.455 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.268 -2.247 10.508 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.997 -1.528 11.285 1.00 0.00 C ATOM 0 H LEU A 62 -0.682 1.079 8.575 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.911 1.439 11.222 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.803 0.291 10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.067 0.121 12.024 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.096 -1.023 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.168 -3.182 10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.110 -1.978 9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.614 -2.370 11.534 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.402 -2.473 10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.706 -1.634 12.330 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.756 -0.750 11.196 1.00 0.00 H new ATOM 922 N VAL A 63 0.703 3.058 10.045 1.00 0.00 N ATOM 923 CA VAL A 63 1.542 4.234 10.242 1.00 0.00 C ATOM 924 C VAL A 63 1.261 5.294 9.183 1.00 0.00 C ATOM 925 O VAL A 63 1.594 5.118 8.011 1.00 0.00 O ATOM 926 CB VAL A 63 3.038 3.870 10.204 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.895 5.116 10.363 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.364 2.847 11.282 1.00 0.00 C ATOM 0 H VAL A 63 0.865 2.567 9.166 1.00 0.00 H new ATOM 0 HA VAL A 63 1.298 4.634 11.226 1.00 0.00 H new ATOM 0 HB VAL A 63 3.262 3.426 9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.949 4.839 10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.680 5.811 9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.671 5.592 11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.425 2.601 11.241 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.125 3.262 12.261 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.776 1.944 11.117 1.00 0.00 H new ATOM 938 N ALA A 64 0.646 6.394 9.603 1.00 0.00 N ATOM 939 CA ALA A 64 0.322 7.484 8.690 1.00 0.00 C ATOM 940 C ALA A 64 1.586 8.103 8.104 1.00 0.00 C ATOM 941 O ALA A 64 2.485 8.516 8.837 1.00 0.00 O ATOM 942 CB ALA A 64 -0.504 8.543 9.405 1.00 0.00 C ATOM 0 H ALA A 64 0.362 6.555 10.569 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.265 7.074 7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.739 9.351 8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.429 8.098 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.064 8.940 10.246 1.00 0.00 H new ATOM 948 N LEU A 65 1.649 8.164 6.778 1.00 0.00 N ATOM 949 CA LEU A 65 2.805 8.733 6.093 1.00 0.00 C ATOM 950 C LEU A 65 3.146 10.110 6.652 1.00 0.00 C ATOM 951 O LEU A 65 2.293 10.820 7.185 1.00 0.00 O ATOM 952 CB LEU A 65 2.534 8.832 4.591 1.00 0.00 C ATOM 953 CG LEU A 65 2.392 7.505 3.845 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.468 7.662 2.647 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.756 6.992 3.406 1.00 0.00 C ATOM 0 H LEU A 65 0.914 7.827 6.156 1.00 0.00 H new ATOM 0 HA LEU A 65 3.656 8.073 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.620 9.408 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.345 9.398 4.133 1.00 0.00 H new ATOM 0 HG LEU A 65 1.952 6.774 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.379 6.707 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.483 7.984 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.878 8.408 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.636 6.047 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.224 7.722 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.387 6.840 4.282 1.00 0.00 H new ATOM 967 N PRO A 66 4.423 10.500 6.527 1.00 0.00 N ATOM 968 CA PRO A 66 4.906 11.797 7.012 1.00 0.00 C ATOM 969 C PRO A 66 4.368 12.961 6.187 1.00 0.00 C ATOM 970 O PRO A 66 4.638 13.063 4.989 1.00 0.00 O ATOM 971 CB PRO A 66 6.425 11.690 6.858 1.00 0.00 C ATOM 972 CG PRO A 66 6.627 10.687 5.775 1.00 0.00 C ATOM 973 CD PRO A 66 5.495 9.705 5.904 1.00 0.00 C ATOM 0 HA PRO A 66 4.580 11.997 8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.865 12.652 6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.895 11.369 7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.620 11.164 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.590 10.188 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.192 9.312 4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.772 8.851 6.522 1.00 0.00 H new ATOM 981 N HIS A 67 3.606 13.837 6.834 1.00 0.00 N ATOM 982 CA HIS A 67 3.031 14.995 6.159 1.00 0.00 C ATOM 983 C HIS A 67 4.105 15.775 5.408 1.00 0.00 C ATOM 984 O HIS A 67 4.913 16.479 6.014 1.00 0.00 O ATOM 985 CB HIS A 67 2.335 15.907 7.170 1.00 0.00 C ATOM 986 CG HIS A 67 1.417 16.908 6.541 1.00 0.00 C ATOM 987 ND1 HIS A 67 1.615 18.270 6.628 1.00 0.00 N ATOM 988 CD2 HIS A 67 0.290 16.740 5.809 1.00 0.00 C ATOM 989 CE1 HIS A 67 0.649 18.896 5.979 1.00 0.00 C ATOM 990 NE2 HIS A 67 -0.168 17.990 5.472 1.00 0.00 N ATOM 0 H HIS A 67 3.372 13.767 7.824 1.00 0.00 H new ATOM 0 HA HIS A 67 2.296 14.637 5.438 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.766 15.294 7.869 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.091 16.435 7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.164 15.798 5.540 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.545 19.966 5.880 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.003 18.187 4.920 1.00 0.00 H new ATOM 999 N SER A 68 4.109 15.644 4.085 1.00 0.00 N ATOM 1000 CA SER A 68 5.087 16.334 3.252 1.00 0.00 C ATOM 1001 C SER A 68 4.558 16.516 1.832 1.00 0.00 C ATOM 1002 O SER A 68 3.499 15.997 1.480 1.00 0.00 O ATOM 1003 CB SER A 68 6.402 15.553 3.221 1.00 0.00 C ATOM 1004 OG SER A 68 6.903 15.347 4.531 1.00 0.00 O ATOM 0 H SER A 68 3.446 15.067 3.567 1.00 0.00 H new ATOM 0 HA SER A 68 5.267 17.318 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.246 14.591 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.138 16.096 2.628 1.00 0.00 H new ATOM 0 HG SER A 68 7.743 14.844 4.485 1.00 0.00 H new ATOM 1010 N GLY A 69 5.305 17.259 1.020 1.00 0.00 N ATOM 1011 CA GLY A 69 4.896 17.498 -0.352 1.00 0.00 C ATOM 1012 C GLY A 69 5.020 18.955 -0.748 1.00 0.00 C ATOM 1013 O GLY A 69 4.056 19.719 -0.698 1.00 0.00 O ATOM 0 H GLY A 69 6.185 17.699 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.505 16.890 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.863 17.176 -0.481 1.00 0.00 H new ATOM 1017 N PRO A 70 6.233 19.361 -1.152 1.00 0.00 N ATOM 1018 CA PRO A 70 6.510 20.740 -1.565 1.00 0.00 C ATOM 1019 C PRO A 70 5.842 21.093 -2.890 1.00 0.00 C ATOM 1020 O PRO A 70 6.289 20.665 -3.954 1.00 0.00 O ATOM 1021 CB PRO A 70 8.033 20.769 -1.709 1.00 0.00 C ATOM 1022 CG PRO A 70 8.414 19.356 -1.989 1.00 0.00 C ATOM 1023 CD PRO A 70 7.428 18.505 -1.237 1.00 0.00 C ATOM 0 HA PRO A 70 6.123 21.465 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.342 21.430 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.510 21.135 -0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.376 19.146 -3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.434 19.154 -1.661 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.218 17.573 -1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.801 18.236 -0.249 1.00 0.00 H new ATOM 1031 N SER A 71 4.771 21.877 -2.818 1.00 0.00 N ATOM 1032 CA SER A 71 4.040 22.284 -4.012 1.00 0.00 C ATOM 1033 C SER A 71 3.576 21.067 -4.807 1.00 0.00 C ATOM 1034 O SER A 71 3.608 21.066 -6.037 1.00 0.00 O ATOM 1035 CB SER A 71 4.917 23.178 -4.892 1.00 0.00 C ATOM 1036 OG SER A 71 5.406 24.289 -4.162 1.00 0.00 O ATOM 0 H SER A 71 4.390 22.243 -1.945 1.00 0.00 H new ATOM 0 HA SER A 71 3.161 22.846 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.754 22.600 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.341 23.527 -5.749 1.00 0.00 H new ATOM 0 HG SER A 71 5.965 24.844 -4.746 1.00 0.00 H new ATOM 1042 N SER A 72 3.144 20.032 -4.093 1.00 0.00 N ATOM 1043 CA SER A 72 2.676 18.807 -4.730 1.00 0.00 C ATOM 1044 C SER A 72 1.155 18.709 -4.668 1.00 0.00 C ATOM 1045 O SER A 72 0.567 18.686 -3.588 1.00 0.00 O ATOM 1046 CB SER A 72 3.305 17.585 -4.057 1.00 0.00 C ATOM 1047 OG SER A 72 2.790 16.382 -4.600 1.00 0.00 O ATOM 0 H SER A 72 3.109 20.018 -3.074 1.00 0.00 H new ATOM 0 HA SER A 72 2.978 18.833 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.387 17.612 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.111 17.616 -2.985 1.00 0.00 H new ATOM 0 HG SER A 72 3.209 15.616 -4.154 1.00 0.00 H new ATOM 1053 N GLY A 73 0.523 18.652 -5.837 1.00 0.00 N ATOM 1054 CA GLY A 73 -0.924 18.557 -5.894 1.00 0.00 C ATOM 1055 C GLY A 73 -1.406 17.129 -6.049 1.00 0.00 C ATOM 1056 O GLY A 73 -1.592 16.419 -5.060 1.00 0.00 O ATOM 0 H GLY A 73 0.987 18.670 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.349 18.984 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.291 19.154 -6.729 1.00 0.00 H new TER 1060 GLY A 73