USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 842 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 77 ASN : amide:sc= -0.426 K(o=-0.43,f=-1.1) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 44 GLN : amide:sc= -0.186 K(o=-2.4,f=-5.2!) USER MOD Set 2.2: A 48 ASN : amide:sc= -2.2! C(o=-2.4!,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 41:sc= 0.00855 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 0.00302 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.97) USER MOD Single : A 17 GLN : amide:sc=-0.00797 X(o=-0.008,f=-0.29) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 63:sc= 0.16 USER MOD Single : A 36 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 66:sc= -0.443 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.52 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= -1.11 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.018 USER MOD Single : A 90 SER OG : rot -76:sc= 0.336 USER MOD Single : A 95 GLN : amide:sc= -0.255 K(o=-0.26,f=-1.6!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 2:sc= 0.813 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.980 50.224 23.385 1.00 0.00 N ATOM 2 CA GLY A 1 -18.825 49.287 22.286 1.00 0.00 C ATOM 3 C GLY A 1 -18.663 47.856 22.803 1.00 0.00 C ATOM 4 O GLY A 1 -19.647 47.139 22.974 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.088 51.187 23.008 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.823 49.973 23.939 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.140 50.184 23.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.693 49.344 21.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.956 49.562 21.689 1.00 0.00 H new ATOM 8 N SER A 2 -17.413 47.484 23.039 1.00 0.00 N ATOM 9 CA SER A 2 -17.110 46.152 23.534 1.00 0.00 C ATOM 10 C SER A 2 -17.629 45.099 22.553 1.00 0.00 C ATOM 11 O SER A 2 -18.836 44.888 22.443 1.00 0.00 O ATOM 12 CB SER A 2 -17.715 45.928 24.921 1.00 0.00 C ATOM 13 OG SER A 2 -17.759 44.547 25.268 1.00 0.00 O ATOM 0 H SER A 2 -16.599 48.082 22.897 1.00 0.00 H new ATOM 0 HA SER A 2 -16.028 46.058 23.620 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.129 46.470 25.664 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.724 46.341 24.947 1.00 0.00 H new ATOM 0 HG SER A 2 -18.150 44.446 26.161 1.00 0.00 H new ATOM 19 N SER A 3 -16.691 44.464 21.864 1.00 0.00 N ATOM 20 CA SER A 3 -17.038 43.438 20.896 1.00 0.00 C ATOM 21 C SER A 3 -15.858 42.485 20.697 1.00 0.00 C ATOM 22 O SER A 3 -14.702 42.892 20.805 1.00 0.00 O ATOM 23 CB SER A 3 -17.450 44.059 19.560 1.00 0.00 C ATOM 24 OG SER A 3 -18.863 44.047 19.378 1.00 0.00 O ATOM 0 H SER A 3 -15.691 44.641 21.958 1.00 0.00 H new ATOM 0 HA SER A 3 -17.888 42.876 21.283 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.087 45.086 19.510 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.975 43.513 18.745 1.00 0.00 H new ATOM 0 HG SER A 3 -19.304 44.273 20.224 1.00 0.00 H new ATOM 30 N GLY A 4 -16.190 41.235 20.411 1.00 0.00 N ATOM 31 CA GLY A 4 -15.172 40.221 20.196 1.00 0.00 C ATOM 32 C GLY A 4 -15.807 38.863 19.886 1.00 0.00 C ATOM 33 O GLY A 4 -17.025 38.761 19.749 1.00 0.00 O ATOM 0 H GLY A 4 -17.150 40.901 20.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.524 40.520 19.372 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.543 40.138 21.082 1.00 0.00 H new ATOM 37 N SER A 5 -14.952 37.856 19.784 1.00 0.00 N ATOM 38 CA SER A 5 -15.414 36.510 19.492 1.00 0.00 C ATOM 39 C SER A 5 -14.286 35.505 19.734 1.00 0.00 C ATOM 40 O SER A 5 -13.116 35.881 19.786 1.00 0.00 O ATOM 41 CB SER A 5 -15.921 36.401 18.053 1.00 0.00 C ATOM 42 OG SER A 5 -17.191 35.758 17.981 1.00 0.00 O ATOM 0 H SER A 5 -13.942 37.945 19.898 1.00 0.00 H new ATOM 0 HA SER A 5 -16.245 36.282 20.160 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.994 37.398 17.618 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.199 35.845 17.455 1.00 0.00 H new ATOM 0 HG SER A 5 -17.481 35.710 17.046 1.00 0.00 H new ATOM 48 N SER A 6 -14.677 34.247 19.876 1.00 0.00 N ATOM 49 CA SER A 6 -13.713 33.186 20.112 1.00 0.00 C ATOM 50 C SER A 6 -14.272 31.851 19.614 1.00 0.00 C ATOM 51 O SER A 6 -15.470 31.731 19.364 1.00 0.00 O ATOM 52 CB SER A 6 -13.352 33.089 21.595 1.00 0.00 C ATOM 53 OG SER A 6 -12.086 33.680 21.876 1.00 0.00 O ATOM 0 H SER A 6 -15.648 33.939 19.832 1.00 0.00 H new ATOM 0 HA SER A 6 -12.804 33.422 19.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.122 33.582 22.189 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.338 32.042 21.897 1.00 0.00 H new ATOM 0 HG SER A 6 -11.994 34.513 21.368 1.00 0.00 H new ATOM 59 N GLY A 7 -13.377 30.883 19.485 1.00 0.00 N ATOM 60 CA GLY A 7 -13.766 29.562 19.021 1.00 0.00 C ATOM 61 C GLY A 7 -12.612 28.568 19.168 1.00 0.00 C ATOM 62 O GLY A 7 -11.798 28.686 20.083 1.00 0.00 O ATOM 0 H GLY A 7 -12.384 30.987 19.694 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.627 29.212 19.590 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.074 29.615 17.977 1.00 0.00 H new ATOM 66 N ALA A 8 -12.578 27.610 18.253 1.00 0.00 N ATOM 67 CA ALA A 8 -11.538 26.596 18.269 1.00 0.00 C ATOM 68 C ALA A 8 -10.378 27.047 17.378 1.00 0.00 C ATOM 69 O ALA A 8 -10.500 28.027 16.644 1.00 0.00 O ATOM 70 CB ALA A 8 -12.125 25.255 17.826 1.00 0.00 C ATOM 0 H ALA A 8 -13.254 27.515 17.496 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.147 26.464 19.278 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.344 24.494 17.838 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.925 24.965 18.507 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.525 25.349 16.816 1.00 0.00 H new ATOM 76 N ILE A 9 -9.281 26.311 17.471 1.00 0.00 N ATOM 77 CA ILE A 9 -8.101 26.623 16.682 1.00 0.00 C ATOM 78 C ILE A 9 -8.394 26.353 15.205 1.00 0.00 C ATOM 79 O ILE A 9 -9.512 25.983 14.848 1.00 0.00 O ATOM 80 CB ILE A 9 -6.884 25.864 17.216 1.00 0.00 C ATOM 81 CG1 ILE A 9 -7.223 24.395 17.474 1.00 0.00 C ATOM 82 CG2 ILE A 9 -6.315 26.548 18.461 1.00 0.00 C ATOM 83 CD1 ILE A 9 -5.997 23.505 17.266 1.00 0.00 C ATOM 0 H ILE A 9 -9.184 25.499 18.081 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.853 27.681 16.770 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.106 25.885 16.452 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.594 24.277 18.492 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.023 24.080 16.805 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.451 25.989 18.821 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.011 27.564 18.211 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.077 26.579 19.240 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.265 22.466 17.456 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.643 23.607 16.240 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.207 23.807 17.954 1.00 0.00 H new ATOM 95 N TYR A 10 -7.371 26.549 14.386 1.00 0.00 N ATOM 96 CA TYR A 10 -7.505 26.332 12.956 1.00 0.00 C ATOM 97 C TYR A 10 -6.258 25.654 12.385 1.00 0.00 C ATOM 98 O TYR A 10 -5.724 26.086 11.364 1.00 0.00 O ATOM 99 CB TYR A 10 -7.648 27.720 12.330 1.00 0.00 C ATOM 100 CG TYR A 10 -6.436 28.629 12.547 1.00 0.00 C ATOM 101 CD1 TYR A 10 -6.261 29.268 13.758 1.00 0.00 C ATOM 102 CD2 TYR A 10 -5.518 28.809 11.532 1.00 0.00 C ATOM 103 CE1 TYR A 10 -5.121 30.123 13.962 1.00 0.00 C ATOM 104 CE2 TYR A 10 -4.378 29.664 11.737 1.00 0.00 C ATOM 105 CZ TYR A 10 -4.235 30.279 12.941 1.00 0.00 C ATOM 106 OH TYR A 10 -3.158 31.086 13.134 1.00 0.00 O ATOM 0 H TYR A 10 -6.446 26.856 14.686 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.359 25.688 12.744 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.818 27.608 11.259 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.532 28.205 12.745 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.979 29.127 14.552 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.655 28.309 10.585 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.972 30.629 14.904 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.652 29.814 10.951 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.611 31.102 12.321 1.00 0.00 H new ATOM 116 N VAL A 11 -5.829 24.603 13.069 1.00 0.00 N ATOM 117 CA VAL A 11 -4.654 23.862 12.643 1.00 0.00 C ATOM 118 C VAL A 11 -4.902 22.365 12.840 1.00 0.00 C ATOM 119 O VAL A 11 -4.987 21.890 13.971 1.00 0.00 O ATOM 120 CB VAL A 11 -3.418 24.366 13.389 1.00 0.00 C ATOM 121 CG1 VAL A 11 -2.369 23.260 13.524 1.00 0.00 C ATOM 122 CG2 VAL A 11 -2.828 25.600 12.703 1.00 0.00 C ATOM 0 H VAL A 11 -6.274 24.247 13.915 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.465 24.024 11.582 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.729 24.657 14.392 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.501 23.645 14.058 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.793 22.422 14.077 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.065 22.924 12.533 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.950 25.938 13.254 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.541 25.346 11.683 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.572 26.396 12.683 1.00 0.00 H new ATOM 132 N ASP A 12 -5.011 21.663 11.721 1.00 0.00 N ATOM 133 CA ASP A 12 -5.247 20.230 11.757 1.00 0.00 C ATOM 134 C ASP A 12 -4.860 19.620 10.408 1.00 0.00 C ATOM 135 O ASP A 12 -5.573 19.785 9.420 1.00 0.00 O ATOM 136 CB ASP A 12 -6.724 19.922 12.008 1.00 0.00 C ATOM 137 CG ASP A 12 -7.071 19.554 13.452 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.179 18.995 14.125 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.221 19.840 13.849 1.00 0.00 O ATOM 0 H ASP A 12 -4.940 22.060 10.784 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.648 19.809 12.565 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.315 20.791 11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.024 19.101 11.357 1.00 0.00 H new ATOM 144 N LEU A 13 -3.730 18.928 10.410 1.00 0.00 N ATOM 145 CA LEU A 13 -3.239 18.293 9.199 1.00 0.00 C ATOM 146 C LEU A 13 -4.369 17.487 8.557 1.00 0.00 C ATOM 147 O LEU A 13 -5.186 16.890 9.256 1.00 0.00 O ATOM 148 CB LEU A 13 -1.987 17.465 9.498 1.00 0.00 C ATOM 149 CG LEU A 13 -0.735 18.257 9.883 1.00 0.00 C ATOM 150 CD1 LEU A 13 0.208 17.410 10.738 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.037 18.816 8.641 1.00 0.00 C ATOM 0 H LEU A 13 -3.140 18.793 11.231 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.930 19.045 8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.218 16.773 10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.756 16.862 8.620 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.042 19.108 10.490 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.089 17.996 10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.305 17.102 11.649 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.513 16.526 10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.849 19.374 8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.256 17.994 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.719 19.478 8.107 1.00 0.00 H new ATOM 163 N PRO A 14 -4.381 17.497 7.197 1.00 0.00 N ATOM 164 CA PRO A 14 -5.398 16.775 6.452 1.00 0.00 C ATOM 165 C PRO A 14 -5.128 15.269 6.473 1.00 0.00 C ATOM 166 O PRO A 14 -3.996 14.841 6.695 1.00 0.00 O ATOM 167 CB PRO A 14 -5.356 17.367 5.052 1.00 0.00 C ATOM 168 CG PRO A 14 -4.011 18.067 4.937 1.00 0.00 C ATOM 169 CD PRO A 14 -3.430 18.194 6.335 1.00 0.00 C ATOM 0 HA PRO A 14 -6.392 16.883 6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.458 16.589 4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.176 18.069 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.339 17.498 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.130 19.051 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.439 17.744 6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.324 19.239 6.626 1.00 0.00 H new ATOM 177 N ASN A 15 -6.186 14.507 6.239 1.00 0.00 N ATOM 178 CA ASN A 15 -6.077 13.058 6.229 1.00 0.00 C ATOM 179 C ASN A 15 -7.166 12.475 5.326 1.00 0.00 C ATOM 180 O ASN A 15 -8.257 13.035 5.223 1.00 0.00 O ATOM 181 CB ASN A 15 -6.268 12.481 7.633 1.00 0.00 C ATOM 182 CG ASN A 15 -5.813 13.477 8.702 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.703 13.424 9.205 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.731 14.386 9.019 1.00 0.00 N ATOM 0 H ASN A 15 -7.123 14.866 6.055 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.083 12.797 5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.318 12.231 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.702 11.555 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.525 15.096 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.641 14.373 8.559 1.00 0.00 H new ATOM 191 N ARG A 16 -6.833 11.359 4.695 1.00 0.00 N ATOM 192 CA ARG A 16 -7.769 10.694 3.805 1.00 0.00 C ATOM 193 C ARG A 16 -7.609 9.176 3.903 1.00 0.00 C ATOM 194 O ARG A 16 -6.533 8.643 3.636 1.00 0.00 O ATOM 195 CB ARG A 16 -7.553 11.130 2.354 1.00 0.00 C ATOM 196 CG ARG A 16 -8.523 10.410 1.415 1.00 0.00 C ATOM 197 CD ARG A 16 -9.967 10.834 1.687 1.00 0.00 C ATOM 198 NE ARG A 16 -10.434 11.751 0.624 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.631 12.353 0.623 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.490 12.139 1.629 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.970 13.169 -0.385 1.00 0.00 N ATOM 0 H ARG A 16 -5.927 10.898 4.783 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.776 10.977 4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.692 12.208 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.527 10.917 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.264 10.632 0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.427 9.332 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.611 9.955 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.034 11.325 2.658 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.805 11.937 -0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.233 11.518 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.401 12.598 1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.317 13.332 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.881 13.627 -0.386 1.00 0.00 H new ATOM 215 N GLN A 17 -8.695 8.522 4.288 1.00 0.00 N ATOM 216 CA GLN A 17 -8.688 7.076 4.425 1.00 0.00 C ATOM 217 C GLN A 17 -9.511 6.433 3.307 1.00 0.00 C ATOM 218 O GLN A 17 -10.545 6.965 2.907 1.00 0.00 O ATOM 219 CB GLN A 17 -9.209 6.653 5.801 1.00 0.00 C ATOM 220 CG GLN A 17 -8.607 5.312 6.226 1.00 0.00 C ATOM 221 CD GLN A 17 -9.432 4.671 7.344 1.00 0.00 C ATOM 222 OE1 GLN A 17 -10.646 4.576 7.278 1.00 0.00 O ATOM 223 NE2 GLN A 17 -8.707 4.238 8.371 1.00 0.00 N ATOM 0 H GLN A 17 -9.586 8.967 4.509 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.659 6.728 4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.962 7.417 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.296 6.576 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.565 4.640 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.582 5.461 6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.693 4.349 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.165 3.795 9.168 1.00 0.00 H new ATOM 232 N LEU A 18 -9.020 5.297 2.833 1.00 0.00 N ATOM 233 CA LEU A 18 -9.696 4.576 1.768 1.00 0.00 C ATOM 234 C LEU A 18 -9.733 3.085 2.111 1.00 0.00 C ATOM 235 O LEU A 18 -9.121 2.654 3.086 1.00 0.00 O ATOM 236 CB LEU A 18 -9.045 4.880 0.417 1.00 0.00 C ATOM 237 CG LEU A 18 -9.122 6.335 -0.052 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.795 6.782 -0.669 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.297 6.541 -1.009 1.00 0.00 C ATOM 0 H LEU A 18 -8.162 4.858 3.167 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.730 4.909 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.995 4.591 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.513 4.250 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.302 6.966 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.876 7.819 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.001 6.695 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.561 6.150 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.329 7.583 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.173 5.899 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.228 6.288 -0.502 1.00 0.00 H new ATOM 251 N LYS A 19 -10.458 2.340 1.290 1.00 0.00 N ATOM 252 CA LYS A 19 -10.583 0.907 1.494 1.00 0.00 C ATOM 253 C LYS A 19 -10.362 0.185 0.163 1.00 0.00 C ATOM 254 O LYS A 19 -10.906 0.588 -0.864 1.00 0.00 O ATOM 255 CB LYS A 19 -11.921 0.575 2.159 1.00 0.00 C ATOM 256 CG LYS A 19 -12.332 -0.871 1.872 1.00 0.00 C ATOM 257 CD LYS A 19 -13.442 -0.927 0.822 1.00 0.00 C ATOM 258 CE LYS A 19 -14.774 -1.338 1.453 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.708 -1.833 0.417 1.00 0.00 N ATOM 0 H LYS A 19 -10.965 2.702 0.482 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.815 0.552 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.844 0.728 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.691 1.255 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.468 -1.436 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.673 -1.345 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.547 0.048 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.172 -1.636 0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.605 -2.114 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.215 -0.487 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.607 -2.108 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.883 -1.082 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.292 -2.658 -0.060 1.00 0.00 H new ATOM 273 N VAL A 20 -9.563 -0.870 0.224 1.00 0.00 N ATOM 274 CA VAL A 20 -9.263 -1.651 -0.964 1.00 0.00 C ATOM 275 C VAL A 20 -9.535 -3.129 -0.678 1.00 0.00 C ATOM 276 O VAL A 20 -8.806 -3.763 0.082 1.00 0.00 O ATOM 277 CB VAL A 20 -7.826 -1.385 -1.417 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.530 -2.087 -2.743 1.00 0.00 C ATOM 279 CG2 VAL A 20 -7.553 0.117 -1.519 1.00 0.00 C ATOM 0 H VAL A 20 -9.114 -1.202 1.078 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.910 -1.354 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.155 -1.797 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.502 -1.881 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.665 -3.162 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.212 -1.719 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.525 0.279 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.236 0.563 -2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.704 0.581 -0.544 1.00 0.00 H new ATOM 289 N LYS A 21 -10.588 -3.636 -1.304 1.00 0.00 N ATOM 290 CA LYS A 21 -10.966 -5.028 -1.127 1.00 0.00 C ATOM 291 C LYS A 21 -9.995 -5.918 -1.905 1.00 0.00 C ATOM 292 O LYS A 21 -10.255 -6.268 -3.055 1.00 0.00 O ATOM 293 CB LYS A 21 -12.433 -5.237 -1.507 1.00 0.00 C ATOM 294 CG LYS A 21 -13.259 -5.666 -0.293 1.00 0.00 C ATOM 295 CD LYS A 21 -14.658 -6.119 -0.713 1.00 0.00 C ATOM 296 CE LYS A 21 -15.645 -6.003 0.450 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.960 -5.524 -0.030 1.00 0.00 N ATOM 0 H LYS A 21 -11.191 -3.107 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.889 -5.314 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.840 -4.314 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.506 -5.995 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.751 -6.478 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.337 -4.836 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.004 -5.513 -1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.621 -7.151 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.760 -6.972 0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.253 -5.316 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.617 -5.451 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.849 -4.589 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.340 -6.194 -0.729 1.00 0.00 H new ATOM 311 N VAL A 22 -8.898 -6.260 -1.246 1.00 0.00 N ATOM 312 CA VAL A 22 -7.887 -7.103 -1.862 1.00 0.00 C ATOM 313 C VAL A 22 -8.458 -8.506 -2.071 1.00 0.00 C ATOM 314 O VAL A 22 -9.645 -8.738 -1.843 1.00 0.00 O ATOM 315 CB VAL A 22 -6.613 -7.096 -1.015 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.170 -5.665 -0.703 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.804 -7.903 0.270 1.00 0.00 C ATOM 0 H VAL A 22 -8.687 -5.969 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.611 -6.715 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.823 -7.573 -1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.262 -5.688 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.973 -5.134 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.958 -5.152 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.883 -7.882 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.615 -7.469 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.050 -8.935 0.019 1.00 0.00 H new ATOM 327 N ALA A 23 -7.587 -9.407 -2.502 1.00 0.00 N ATOM 328 CA ALA A 23 -7.990 -10.782 -2.744 1.00 0.00 C ATOM 329 C ALA A 23 -7.104 -11.721 -1.923 1.00 0.00 C ATOM 330 O ALA A 23 -7.605 -12.516 -1.128 1.00 0.00 O ATOM 331 CB ALA A 23 -7.921 -11.078 -4.243 1.00 0.00 C ATOM 0 H ALA A 23 -6.604 -9.211 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.021 -10.941 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.223 -12.109 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.590 -10.404 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.900 -10.932 -4.596 1.00 0.00 H new ATOM 337 N ASP A 24 -5.804 -11.598 -2.142 1.00 0.00 N ATOM 338 CA ASP A 24 -4.843 -12.425 -1.432 1.00 0.00 C ATOM 339 C ASP A 24 -4.867 -12.065 0.055 1.00 0.00 C ATOM 340 O ASP A 24 -4.555 -10.936 0.429 1.00 0.00 O ATOM 341 CB ASP A 24 -3.424 -12.191 -1.952 1.00 0.00 C ATOM 342 CG ASP A 24 -2.878 -13.294 -2.861 1.00 0.00 C ATOM 343 OD1 ASP A 24 -3.356 -14.440 -2.713 1.00 0.00 O ATOM 344 OD2 ASP A 24 -1.995 -12.967 -3.683 1.00 0.00 O ATOM 0 H ASP A 24 -5.393 -10.938 -2.802 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.116 -13.469 -1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.404 -11.248 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.755 -12.079 -1.099 1.00 0.00 H new ATOM 349 N ARG A 25 -5.242 -13.046 0.863 1.00 0.00 N ATOM 350 CA ARG A 25 -5.311 -12.847 2.300 1.00 0.00 C ATOM 351 C ARG A 25 -3.943 -13.102 2.938 1.00 0.00 C ATOM 352 O ARG A 25 -3.406 -14.204 2.842 1.00 0.00 O ATOM 353 CB ARG A 25 -6.344 -13.779 2.937 1.00 0.00 C ATOM 354 CG ARG A 25 -6.440 -13.543 4.445 1.00 0.00 C ATOM 355 CD ARG A 25 -7.187 -14.687 5.133 1.00 0.00 C ATOM 356 NE ARG A 25 -8.426 -14.177 5.762 1.00 0.00 N ATOM 357 CZ ARG A 25 -9.115 -14.835 6.705 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.691 -16.031 7.133 1.00 0.00 N ATOM 359 NH2 ARG A 25 -10.228 -14.295 7.220 1.00 0.00 N ATOM 0 H ARG A 25 -5.501 -13.981 0.549 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.612 -11.814 2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.319 -13.616 2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.071 -14.816 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.439 -13.452 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.954 -12.601 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.431 -15.462 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.549 -15.147 5.888 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.777 -13.269 5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.843 -16.442 6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.216 -16.531 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.551 -13.384 6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.753 -14.795 7.938 1.00 0.00 H new ATOM 373 N ARG A 26 -3.420 -12.064 3.574 1.00 0.00 N ATOM 374 CA ARG A 26 -2.126 -12.162 4.227 1.00 0.00 C ATOM 375 C ARG A 26 -1.014 -12.301 3.184 1.00 0.00 C ATOM 376 O ARG A 26 -1.285 -12.574 2.016 1.00 0.00 O ATOM 377 CB ARG A 26 -2.077 -13.360 5.177 1.00 0.00 C ATOM 378 CG ARG A 26 -2.079 -12.903 6.637 1.00 0.00 C ATOM 379 CD ARG A 26 -1.443 -13.959 7.543 1.00 0.00 C ATOM 380 NE ARG A 26 -1.924 -13.791 8.932 1.00 0.00 N ATOM 381 CZ ARG A 26 -1.383 -12.942 9.817 1.00 0.00 C ATOM 382 NH1 ARG A 26 -0.339 -12.181 9.463 1.00 0.00 N ATOM 383 NH2 ARG A 26 -1.885 -12.856 11.056 1.00 0.00 N ATOM 0 H ARG A 26 -3.869 -11.151 3.651 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.976 -11.249 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.934 -14.009 4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.182 -13.950 4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.533 -11.964 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.102 -12.710 6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.691 -14.957 7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.357 -13.870 7.512 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.717 -14.357 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.044 -12.248 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.073 -11.535 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.679 -13.437 11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.473 -12.210 11.729 1.00 0.00 H new ATOM 397 N VAL A 27 0.213 -12.106 3.645 1.00 0.00 N ATOM 398 CA VAL A 27 1.366 -12.206 2.766 1.00 0.00 C ATOM 399 C VAL A 27 1.308 -13.531 2.005 1.00 0.00 C ATOM 400 O VAL A 27 1.241 -14.598 2.613 1.00 0.00 O ATOM 401 CB VAL A 27 2.655 -12.035 3.573 1.00 0.00 C ATOM 402 CG1 VAL A 27 2.717 -10.650 4.221 1.00 0.00 C ATOM 403 CG2 VAL A 27 2.793 -13.138 4.625 1.00 0.00 C ATOM 0 H VAL A 27 0.434 -11.880 4.615 1.00 0.00 H new ATOM 0 HA VAL A 27 1.353 -11.406 2.026 1.00 0.00 H new ATOM 0 HB VAL A 27 3.495 -12.121 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.643 -10.555 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.686 -9.884 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.866 -10.523 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.717 -12.993 5.185 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.945 -13.097 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.816 -14.110 4.132 1.00 0.00 H new ATOM 413 N ILE A 28 1.337 -13.420 0.685 1.00 0.00 N ATOM 414 CA ILE A 28 1.289 -14.597 -0.166 1.00 0.00 C ATOM 415 C ILE A 28 2.242 -15.659 0.385 1.00 0.00 C ATOM 416 O ILE A 28 3.436 -15.406 0.539 1.00 0.00 O ATOM 417 CB ILE A 28 1.566 -14.217 -1.622 1.00 0.00 C ATOM 418 CG1 ILE A 28 0.524 -13.222 -2.137 1.00 0.00 C ATOM 419 CG2 ILE A 28 1.656 -15.463 -2.506 1.00 0.00 C ATOM 420 CD1 ILE A 28 1.025 -11.783 -1.999 1.00 0.00 C ATOM 0 H ILE A 28 1.393 -12.533 0.184 1.00 0.00 H new ATOM 0 HA ILE A 28 0.289 -15.032 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 28 2.535 -13.720 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.299 -13.434 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.405 -13.342 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.853 -15.165 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.464 -16.103 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.714 -16.010 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.266 -11.096 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.226 -11.567 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.941 -11.660 -2.577 1.00 0.00 H new ATOM 432 N SER A 29 1.679 -16.825 0.666 1.00 0.00 N ATOM 433 CA SER A 29 2.465 -17.926 1.197 1.00 0.00 C ATOM 434 C SER A 29 3.189 -17.487 2.471 1.00 0.00 C ATOM 435 O SER A 29 4.232 -16.837 2.404 1.00 0.00 O ATOM 436 CB SER A 29 3.471 -18.434 0.163 1.00 0.00 C ATOM 437 OG SER A 29 2.838 -19.162 -0.886 1.00 0.00 O ATOM 0 H SER A 29 0.689 -17.031 0.536 1.00 0.00 H new ATOM 0 HA SER A 29 1.787 -18.745 1.437 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.015 -17.589 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.205 -19.072 0.655 1.00 0.00 H new ATOM 0 HG SER A 29 3.514 -19.468 -1.526 1.00 0.00 H new ATOM 443 N THR A 30 2.608 -17.858 3.602 1.00 0.00 N ATOM 444 CA THR A 30 3.185 -17.510 4.889 1.00 0.00 C ATOM 445 C THR A 30 4.421 -18.367 5.169 1.00 0.00 C ATOM 446 O THR A 30 5.515 -17.840 5.363 1.00 0.00 O ATOM 447 CB THR A 30 2.093 -17.653 5.951 1.00 0.00 C ATOM 448 OG1 THR A 30 1.233 -16.542 5.718 1.00 0.00 O ATOM 449 CG2 THR A 30 2.621 -17.425 7.369 1.00 0.00 C ATOM 0 H THR A 30 1.743 -18.396 3.654 1.00 0.00 H new ATOM 0 HA THR A 30 3.535 -16.478 4.899 1.00 0.00 H new ATOM 0 HB THR A 30 1.651 -18.647 5.884 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.495 -16.559 6.363 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.806 -17.538 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.400 -18.155 7.589 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.034 -16.419 7.446 1.00 0.00 H new ATOM 457 N THR A 31 4.205 -19.674 5.181 1.00 0.00 N ATOM 458 CA THR A 31 5.288 -20.609 5.434 1.00 0.00 C ATOM 459 C THR A 31 6.090 -20.855 4.154 1.00 0.00 C ATOM 460 O THR A 31 6.228 -21.995 3.713 1.00 0.00 O ATOM 461 CB THR A 31 4.683 -21.884 6.026 1.00 0.00 C ATOM 462 OG1 THR A 31 3.784 -22.342 5.019 1.00 0.00 O ATOM 463 CG2 THR A 31 3.782 -21.600 7.229 1.00 0.00 C ATOM 0 H THR A 31 3.296 -20.108 5.020 1.00 0.00 H new ATOM 0 HA THR A 31 6.000 -20.205 6.154 1.00 0.00 H new ATOM 0 HB THR A 31 5.483 -22.561 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.286 -22.559 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.379 -22.538 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.362 -21.110 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.962 -20.950 6.924 1.00 0.00 H new ATOM 471 N ASP A 32 6.598 -19.767 3.594 1.00 0.00 N ATOM 472 CA ASP A 32 7.383 -19.849 2.374 1.00 0.00 C ATOM 473 C ASP A 32 8.127 -18.530 2.161 1.00 0.00 C ATOM 474 O ASP A 32 7.672 -17.477 2.606 1.00 0.00 O ATOM 475 CB ASP A 32 6.486 -20.088 1.158 1.00 0.00 C ATOM 476 CG ASP A 32 7.100 -20.961 0.062 1.00 0.00 C ATOM 477 OD1 ASP A 32 7.994 -21.762 0.410 1.00 0.00 O ATOM 478 OD2 ASP A 32 6.662 -20.808 -1.098 1.00 0.00 O ATOM 0 H ASP A 32 6.481 -18.823 3.963 1.00 0.00 H new ATOM 0 HA ASP A 32 8.081 -20.680 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.559 -20.553 1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.220 -19.123 0.726 1.00 0.00 H new ATOM 483 N ALA A 33 9.261 -18.630 1.482 1.00 0.00 N ATOM 484 CA ALA A 33 10.073 -17.458 1.205 1.00 0.00 C ATOM 485 C ALA A 33 10.362 -16.722 2.515 1.00 0.00 C ATOM 486 O ALA A 33 9.865 -17.109 3.572 1.00 0.00 O ATOM 487 CB ALA A 33 9.358 -16.571 0.184 1.00 0.00 C ATOM 0 H ALA A 33 9.636 -19.505 1.116 1.00 0.00 H new ATOM 0 HA ALA A 33 11.030 -17.748 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.967 -15.691 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.202 -17.131 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.394 -16.258 0.586 1.00 0.00 H new ATOM 493 N GLU A 34 11.165 -15.674 2.403 1.00 0.00 N ATOM 494 CA GLU A 34 11.526 -14.880 3.566 1.00 0.00 C ATOM 495 C GLU A 34 11.652 -13.404 3.183 1.00 0.00 C ATOM 496 O GLU A 34 12.759 -12.888 3.041 1.00 0.00 O ATOM 497 CB GLU A 34 12.821 -15.394 4.199 1.00 0.00 C ATOM 498 CG GLU A 34 12.715 -15.411 5.725 1.00 0.00 C ATOM 499 CD GLU A 34 14.045 -15.819 6.363 1.00 0.00 C ATOM 500 OE1 GLU A 34 14.441 -16.986 6.151 1.00 0.00 O ATOM 501 OE2 GLU A 34 14.635 -14.955 7.047 1.00 0.00 O ATOM 0 H GLU A 34 11.576 -15.356 1.525 1.00 0.00 H new ATOM 0 HA GLU A 34 10.733 -14.976 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.035 -16.399 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.655 -14.761 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.423 -14.424 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.933 -16.106 6.031 1.00 0.00 H new ATOM 508 N ARG A 35 10.501 -12.767 3.026 1.00 0.00 N ATOM 509 CA ARG A 35 10.467 -11.361 2.662 1.00 0.00 C ATOM 510 C ARG A 35 11.102 -11.153 1.285 1.00 0.00 C ATOM 511 O ARG A 35 11.640 -12.091 0.698 1.00 0.00 O ATOM 512 CB ARG A 35 11.211 -10.508 3.692 1.00 0.00 C ATOM 513 CG ARG A 35 10.231 -9.819 4.644 1.00 0.00 C ATOM 514 CD ARG A 35 10.483 -10.244 6.092 1.00 0.00 C ATOM 515 NE ARG A 35 9.220 -10.190 6.862 1.00 0.00 N ATOM 516 CZ ARG A 35 9.158 -10.128 8.199 1.00 0.00 C ATOM 517 NH1 ARG A 35 10.286 -10.111 8.922 1.00 0.00 N ATOM 518 NH2 ARG A 35 7.968 -10.082 8.814 1.00 0.00 N ATOM 0 H ARG A 35 9.585 -13.199 3.144 1.00 0.00 H new ATOM 0 HA ARG A 35 9.422 -11.051 2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.897 -11.135 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.815 -9.758 3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.332 -8.737 4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.208 -10.067 4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.891 -11.254 6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.225 -9.589 6.548 1.00 0.00 H new ATOM 0 HE ARG A 35 8.342 -10.201 6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.192 -10.145 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.239 -10.064 9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.109 -10.094 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.921 -10.035 9.832 1.00 0.00 H new ATOM 532 N GLN A 36 11.017 -9.920 0.810 1.00 0.00 N ATOM 533 CA GLN A 36 11.576 -9.578 -0.487 1.00 0.00 C ATOM 534 C GLN A 36 10.897 -10.393 -1.590 1.00 0.00 C ATOM 535 O GLN A 36 10.419 -11.499 -1.344 1.00 0.00 O ATOM 536 CB GLN A 36 13.091 -9.788 -0.504 1.00 0.00 C ATOM 537 CG GLN A 36 13.831 -8.461 -0.323 1.00 0.00 C ATOM 538 CD GLN A 36 15.100 -8.651 0.512 1.00 0.00 C ATOM 539 OE1 GLN A 36 15.144 -9.426 1.454 1.00 0.00 O ATOM 540 NE2 GLN A 36 16.125 -7.902 0.116 1.00 0.00 N ATOM 0 H GLN A 36 10.570 -9.145 1.300 1.00 0.00 H new ATOM 0 HA GLN A 36 11.387 -8.521 -0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.375 -10.478 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.387 -10.248 -1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.091 -8.049 -1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.176 -7.738 0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.020 -7.274 -0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.016 -7.956 0.609 1.00 0.00 H new ATOM 549 N ALA A 37 10.876 -9.814 -2.782 1.00 0.00 N ATOM 550 CA ALA A 37 10.263 -10.473 -3.923 1.00 0.00 C ATOM 551 C ALA A 37 10.593 -9.691 -5.195 1.00 0.00 C ATOM 552 O ALA A 37 10.784 -8.476 -5.150 1.00 0.00 O ATOM 553 CB ALA A 37 8.757 -10.600 -3.690 1.00 0.00 C ATOM 0 H ALA A 37 11.273 -8.896 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 37 10.660 -11.481 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.297 -11.094 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.576 -11.189 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.323 -9.608 -3.567 1.00 0.00 H new ATOM 559 N VAL A 38 10.651 -10.419 -6.301 1.00 0.00 N ATOM 560 CA VAL A 38 10.954 -9.808 -7.584 1.00 0.00 C ATOM 561 C VAL A 38 10.228 -8.466 -7.690 1.00 0.00 C ATOM 562 O VAL A 38 10.812 -7.472 -8.118 1.00 0.00 O ATOM 563 CB VAL A 38 10.599 -10.771 -8.719 1.00 0.00 C ATOM 564 CG1 VAL A 38 11.393 -12.074 -8.601 1.00 0.00 C ATOM 565 CG2 VAL A 38 9.094 -11.047 -8.753 1.00 0.00 C ATOM 0 H VAL A 38 10.493 -11.426 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 38 12.022 -9.607 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 38 10.874 -10.295 -9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.122 -12.741 -9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.460 -11.856 -8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.164 -12.555 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.868 -11.734 -9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.784 -11.492 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.556 -10.112 -8.907 1.00 0.00 H new ATOM 575 N THR A 39 8.964 -8.480 -7.292 1.00 0.00 N ATOM 576 CA THR A 39 8.152 -7.276 -7.337 1.00 0.00 C ATOM 577 C THR A 39 7.099 -7.301 -6.226 1.00 0.00 C ATOM 578 O THR A 39 6.733 -8.369 -5.737 1.00 0.00 O ATOM 579 CB THR A 39 7.552 -7.162 -8.740 1.00 0.00 C ATOM 580 OG1 THR A 39 7.141 -8.491 -9.051 1.00 0.00 O ATOM 581 CG2 THR A 39 8.605 -6.839 -9.802 1.00 0.00 C ATOM 0 H THR A 39 8.483 -9.306 -6.937 1.00 0.00 H new ATOM 0 HA THR A 39 8.754 -6.386 -7.152 1.00 0.00 H new ATOM 0 HB THR A 39 6.783 -6.389 -8.744 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.739 -8.508 -9.944 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.127 -6.769 -10.779 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.083 -5.889 -9.563 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.356 -7.628 -9.821 1.00 0.00 H new ATOM 589 N PRO A 40 6.630 -6.081 -5.852 1.00 0.00 N ATOM 590 CA PRO A 40 7.116 -4.866 -6.483 1.00 0.00 C ATOM 591 C PRO A 40 8.521 -4.516 -5.988 1.00 0.00 C ATOM 592 O PRO A 40 8.848 -4.744 -4.824 1.00 0.00 O ATOM 593 CB PRO A 40 6.084 -3.804 -6.140 1.00 0.00 C ATOM 594 CG PRO A 40 5.307 -4.347 -4.951 1.00 0.00 C ATOM 595 CD PRO A 40 5.627 -5.827 -4.821 1.00 0.00 C ATOM 0 HA PRO A 40 7.221 -4.966 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.565 -2.857 -5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.423 -3.615 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.583 -3.816 -4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.237 -4.199 -5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.011 -6.064 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.738 -6.439 -4.974 1.00 0.00 H new ATOM 603 N PRO A 41 9.335 -3.953 -6.920 1.00 0.00 N ATOM 604 CA PRO A 41 10.697 -3.569 -6.591 1.00 0.00 C ATOM 605 C PRO A 41 10.719 -2.291 -5.750 1.00 0.00 C ATOM 606 O PRO A 41 10.554 -1.193 -6.279 1.00 0.00 O ATOM 607 CB PRO A 41 11.396 -3.410 -7.931 1.00 0.00 C ATOM 608 CG PRO A 41 10.290 -3.255 -8.962 1.00 0.00 C ATOM 609 CD PRO A 41 8.982 -3.668 -8.308 1.00 0.00 C ATOM 0 HA PRO A 41 11.206 -4.312 -5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.052 -2.540 -7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.018 -4.277 -8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.234 -2.223 -9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.493 -3.875 -9.835 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.239 -2.873 -8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.555 -4.544 -8.796 1.00 0.00 H new ATOM 617 N GLY A 42 10.923 -2.476 -4.454 1.00 0.00 N ATOM 618 CA GLY A 42 10.968 -1.352 -3.535 1.00 0.00 C ATOM 619 C GLY A 42 9.602 -0.669 -3.438 1.00 0.00 C ATOM 620 O GLY A 42 9.467 0.507 -3.774 1.00 0.00 O ATOM 0 H GLY A 42 11.059 -3.388 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.277 -1.696 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.715 -0.633 -3.870 1.00 0.00 H new ATOM 624 N LEU A 43 8.625 -1.434 -2.976 1.00 0.00 N ATOM 625 CA LEU A 43 7.275 -0.917 -2.830 1.00 0.00 C ATOM 626 C LEU A 43 7.317 0.391 -2.038 1.00 0.00 C ATOM 627 O LEU A 43 6.958 1.447 -2.558 1.00 0.00 O ATOM 628 CB LEU A 43 6.358 -1.978 -2.216 1.00 0.00 C ATOM 629 CG LEU A 43 4.863 -1.813 -2.492 1.00 0.00 C ATOM 630 CD1 LEU A 43 4.608 -1.505 -3.969 1.00 0.00 C ATOM 631 CD2 LEU A 43 4.079 -3.039 -2.019 1.00 0.00 C ATOM 0 H LEU A 43 8.741 -2.408 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 43 6.848 -0.686 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.669 -2.956 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.510 -1.980 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 43 4.503 -0.959 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.537 -1.393 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.117 -0.580 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.988 -2.322 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.019 -2.895 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.436 -3.924 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.223 -3.172 -0.947 1.00 0.00 H new ATOM 643 N GLN A 44 7.759 0.280 -0.794 1.00 0.00 N ATOM 644 CA GLN A 44 7.854 1.441 0.074 1.00 0.00 C ATOM 645 C GLN A 44 8.780 2.491 -0.543 1.00 0.00 C ATOM 646 O GLN A 44 8.570 3.690 -0.366 1.00 0.00 O ATOM 647 CB GLN A 44 8.330 1.043 1.472 1.00 0.00 C ATOM 648 CG GLN A 44 9.624 0.230 1.400 1.00 0.00 C ATOM 649 CD GLN A 44 10.466 0.428 2.662 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.339 1.408 3.378 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.332 -0.554 2.894 1.00 0.00 N ATOM 0 H GLN A 44 8.056 -0.597 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 44 6.860 1.877 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.491 1.938 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.557 0.459 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.387 -0.827 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.199 0.531 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.388 -1.347 2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.941 -0.515 3.712 1.00 0.00 H new ATOM 660 N GLU A 45 9.786 2.002 -1.253 1.00 0.00 N ATOM 661 CA GLU A 45 10.746 2.883 -1.896 1.00 0.00 C ATOM 662 C GLU A 45 10.034 3.816 -2.878 1.00 0.00 C ATOM 663 O GLU A 45 10.378 4.992 -2.982 1.00 0.00 O ATOM 664 CB GLU A 45 11.842 2.080 -2.599 1.00 0.00 C ATOM 665 CG GLU A 45 13.126 2.060 -1.768 1.00 0.00 C ATOM 666 CD GLU A 45 14.178 1.150 -2.405 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.246 1.149 -3.654 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.891 0.476 -1.631 1.00 0.00 O ATOM 0 H GLU A 45 9.957 1.007 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 45 11.224 3.491 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.498 1.060 -2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.045 2.514 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.521 3.072 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.904 1.714 -0.758 1.00 0.00 H new ATOM 675 N ALA A 46 9.055 3.256 -3.573 1.00 0.00 N ATOM 676 CA ALA A 46 8.293 4.023 -4.543 1.00 0.00 C ATOM 677 C ALA A 46 7.500 5.111 -3.816 1.00 0.00 C ATOM 678 O ALA A 46 7.769 6.299 -3.987 1.00 0.00 O ATOM 679 CB ALA A 46 7.391 3.082 -5.344 1.00 0.00 C ATOM 0 H ALA A 46 8.772 2.280 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 46 8.959 4.517 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.819 3.658 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.004 2.346 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.706 2.571 -4.667 1.00 0.00 H new ATOM 685 N ILE A 47 6.538 4.667 -3.021 1.00 0.00 N ATOM 686 CA ILE A 47 5.704 5.587 -2.268 1.00 0.00 C ATOM 687 C ILE A 47 6.596 6.564 -1.498 1.00 0.00 C ATOM 688 O ILE A 47 6.307 7.758 -1.437 1.00 0.00 O ATOM 689 CB ILE A 47 4.725 4.819 -1.379 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.650 4.125 -2.219 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.117 5.733 -0.313 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.199 2.819 -1.561 1.00 0.00 C ATOM 0 H ILE A 47 6.318 3.681 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 47 5.087 6.180 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 47 5.279 4.040 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.794 4.789 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.039 3.919 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.425 5.161 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.911 6.140 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.582 6.550 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.435 2.346 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.052 2.148 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.788 3.032 -0.574 1.00 0.00 H new ATOM 704 N ASN A 48 7.663 6.020 -0.931 1.00 0.00 N ATOM 705 CA ASN A 48 8.599 6.828 -0.168 1.00 0.00 C ATOM 706 C ASN A 48 9.042 8.023 -1.015 1.00 0.00 C ATOM 707 O ASN A 48 9.093 9.150 -0.525 1.00 0.00 O ATOM 708 CB ASN A 48 9.846 6.023 0.203 1.00 0.00 C ATOM 709 CG ASN A 48 9.642 5.271 1.520 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.892 5.683 2.390 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.347 4.148 1.616 1.00 0.00 N ATOM 0 H ASN A 48 7.900 5.029 -0.985 1.00 0.00 H new ATOM 0 HA ASN A 48 8.098 7.156 0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.076 5.314 -0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.702 6.692 0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.279 3.573 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.956 3.861 0.850 1.00 0.00 H new ATOM 718 N ASP A 49 9.351 7.735 -2.271 1.00 0.00 N ATOM 719 CA ASP A 49 9.788 8.772 -3.190 1.00 0.00 C ATOM 720 C ASP A 49 8.665 9.796 -3.368 1.00 0.00 C ATOM 721 O ASP A 49 8.920 10.998 -3.433 1.00 0.00 O ATOM 722 CB ASP A 49 10.116 8.187 -4.565 1.00 0.00 C ATOM 723 CG ASP A 49 11.090 9.016 -5.405 1.00 0.00 C ATOM 724 OD1 ASP A 49 12.310 8.846 -5.193 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.592 9.801 -6.240 1.00 0.00 O ATOM 0 H ASP A 49 9.307 6.799 -2.673 1.00 0.00 H new ATOM 0 HA ASP A 49 10.681 9.237 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.535 7.190 -4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.188 8.069 -5.124 1.00 0.00 H new ATOM 730 N LEU A 50 7.446 9.283 -3.442 1.00 0.00 N ATOM 731 CA LEU A 50 6.283 10.137 -3.612 1.00 0.00 C ATOM 732 C LEU A 50 5.993 10.864 -2.297 1.00 0.00 C ATOM 733 O LEU A 50 5.322 11.895 -2.288 1.00 0.00 O ATOM 734 CB LEU A 50 5.096 9.329 -4.141 1.00 0.00 C ATOM 735 CG LEU A 50 4.925 9.308 -5.662 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.205 8.037 -6.115 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.216 10.573 -6.151 1.00 0.00 C ATOM 0 H LEU A 50 7.238 8.286 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 50 6.479 10.901 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.197 8.301 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.184 9.728 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 50 5.915 9.297 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.096 8.047 -7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.786 7.164 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.219 7.993 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.107 10.533 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.231 10.639 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.805 11.449 -5.878 1.00 0.00 H new ATOM 749 N VAL A 51 6.514 10.298 -1.218 1.00 0.00 N ATOM 750 CA VAL A 51 6.320 10.880 0.100 1.00 0.00 C ATOM 751 C VAL A 51 7.271 12.065 0.274 1.00 0.00 C ATOM 752 O VAL A 51 6.989 12.984 1.042 1.00 0.00 O ATOM 753 CB VAL A 51 6.497 9.807 1.176 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.473 10.426 2.575 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.436 8.714 1.041 1.00 0.00 C ATOM 0 H VAL A 51 7.070 9.443 -1.229 1.00 0.00 H new ATOM 0 HA VAL A 51 5.304 11.261 0.204 1.00 0.00 H new ATOM 0 HB VAL A 51 7.473 9.344 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.601 9.642 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.283 11.150 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.518 10.927 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.585 7.964 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.445 9.154 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.521 8.243 0.062 1.00 0.00 H new ATOM 765 N LYS A 52 8.379 12.006 -0.451 1.00 0.00 N ATOM 766 CA LYS A 52 9.373 13.064 -0.386 1.00 0.00 C ATOM 767 C LYS A 52 9.063 14.116 -1.452 1.00 0.00 C ATOM 768 O LYS A 52 9.300 15.305 -1.243 1.00 0.00 O ATOM 769 CB LYS A 52 10.784 12.480 -0.490 1.00 0.00 C ATOM 770 CG LYS A 52 11.212 11.842 0.833 1.00 0.00 C ATOM 771 CD LYS A 52 12.624 12.286 1.223 1.00 0.00 C ATOM 772 CE LYS A 52 12.724 12.536 2.729 1.00 0.00 C ATOM 773 NZ LYS A 52 13.747 13.565 3.017 1.00 0.00 N ATOM 0 H LYS A 52 8.610 11.242 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 52 9.331 13.567 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.815 11.734 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.488 13.266 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.509 12.119 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.179 10.756 0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.344 11.522 0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.886 13.195 0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.757 12.858 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.979 11.608 3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.802 13.722 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.672 13.243 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.488 14.454 2.544 1.00 0.00 H new ATOM 787 N LYS A 53 8.537 13.641 -2.571 1.00 0.00 N ATOM 788 CA LYS A 53 8.192 14.527 -3.670 1.00 0.00 C ATOM 789 C LYS A 53 7.056 15.454 -3.235 1.00 0.00 C ATOM 790 O LYS A 53 6.767 16.445 -3.904 1.00 0.00 O ATOM 791 CB LYS A 53 7.876 13.718 -4.931 1.00 0.00 C ATOM 792 CG LYS A 53 9.158 13.341 -5.675 1.00 0.00 C ATOM 793 CD LYS A 53 9.112 13.825 -7.126 1.00 0.00 C ATOM 794 CE LYS A 53 7.900 13.247 -7.859 1.00 0.00 C ATOM 795 NZ LYS A 53 7.401 14.204 -8.871 1.00 0.00 N ATOM 0 H LYS A 53 8.341 12.654 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 53 9.040 15.161 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.329 12.815 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.228 14.299 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.019 13.779 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.291 12.259 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.070 14.914 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.027 13.531 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.173 12.308 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.109 13.020 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.578 13.796 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.122 15.090 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.152 14.400 -9.563 1.00 0.00 H new ATOM 809 N TYR A 54 6.442 15.101 -2.115 1.00 0.00 N ATOM 810 CA TYR A 54 5.344 15.890 -1.582 1.00 0.00 C ATOM 811 C TYR A 54 5.770 16.638 -0.317 1.00 0.00 C ATOM 812 O TYR A 54 6.841 16.380 0.230 1.00 0.00 O ATOM 813 CB TYR A 54 4.243 14.890 -1.222 1.00 0.00 C ATOM 814 CG TYR A 54 3.413 14.421 -2.419 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.042 13.913 -3.538 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.036 14.506 -2.380 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.261 13.471 -4.664 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.255 14.065 -3.506 1.00 0.00 C ATOM 819 CZ TYR A 54 1.906 13.569 -4.593 1.00 0.00 C ATOM 820 OH TYR A 54 1.168 13.152 -5.657 1.00 0.00 O ATOM 0 H TYR A 54 6.684 14.279 -1.562 1.00 0.00 H new ATOM 0 HA TYR A 54 5.015 16.631 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.697 14.021 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.578 15.346 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.120 13.847 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.544 14.903 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.740 13.071 -5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.177 14.126 -3.488 1.00 0.00 H new ATOM 0 HH TYR A 54 1.265 12.183 -5.763 1.00 0.00 H new ATOM 830 N THR A 55 4.910 17.550 0.110 1.00 0.00 N ATOM 831 CA THR A 55 5.184 18.338 1.300 1.00 0.00 C ATOM 832 C THR A 55 4.627 17.639 2.542 1.00 0.00 C ATOM 833 O THR A 55 3.419 17.439 2.657 1.00 0.00 O ATOM 834 CB THR A 55 4.608 19.739 1.082 1.00 0.00 C ATOM 835 OG1 THR A 55 5.562 20.379 0.239 1.00 0.00 O ATOM 836 CG2 THR A 55 4.616 20.580 2.360 1.00 0.00 C ATOM 0 H THR A 55 4.023 17.761 -0.347 1.00 0.00 H new ATOM 0 HA THR A 55 6.256 18.434 1.473 1.00 0.00 H new ATOM 0 HB THR A 55 3.588 19.658 0.707 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.266 21.293 0.046 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.197 21.564 2.150 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.017 20.086 3.125 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.640 20.690 2.717 1.00 0.00 H new ATOM 844 N LEU A 56 5.536 17.286 3.439 1.00 0.00 N ATOM 845 CA LEU A 56 5.151 16.613 4.669 1.00 0.00 C ATOM 846 C LEU A 56 4.091 15.555 4.356 1.00 0.00 C ATOM 847 O LEU A 56 2.959 15.646 4.828 1.00 0.00 O ATOM 848 CB LEU A 56 4.710 17.632 5.722 1.00 0.00 C ATOM 849 CG LEU A 56 5.805 18.554 6.263 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.131 17.805 6.406 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.945 19.807 5.395 1.00 0.00 C ATOM 0 H LEU A 56 6.537 17.453 3.339 1.00 0.00 H new ATOM 0 HA LEU A 56 6.005 16.092 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.921 18.250 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.271 17.091 6.560 1.00 0.00 H new ATOM 0 HG LEU A 56 5.512 18.884 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.892 18.483 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.005 16.970 7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.442 17.427 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.730 20.445 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.204 19.517 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.001 20.352 5.388 1.00 0.00 H new ATOM 863 N ALA A 57 4.496 14.575 3.561 1.00 0.00 N ATOM 864 CA ALA A 57 3.596 13.500 3.180 1.00 0.00 C ATOM 865 C ALA A 57 3.951 12.239 3.970 1.00 0.00 C ATOM 866 O ALA A 57 5.043 12.138 4.526 1.00 0.00 O ATOM 867 CB ALA A 57 3.673 13.282 1.667 1.00 0.00 C ATOM 0 H ALA A 57 5.436 14.503 3.170 1.00 0.00 H new ATOM 0 HA ALA A 57 2.565 13.759 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.998 12.476 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.383 14.198 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.693 13.017 1.389 1.00 0.00 H new ATOM 873 N ARG A 58 3.007 11.309 3.993 1.00 0.00 N ATOM 874 CA ARG A 58 3.206 10.058 4.705 1.00 0.00 C ATOM 875 C ARG A 58 2.131 9.045 4.309 1.00 0.00 C ATOM 876 O ARG A 58 0.939 9.341 4.376 1.00 0.00 O ATOM 877 CB ARG A 58 3.161 10.274 6.219 1.00 0.00 C ATOM 878 CG ARG A 58 4.573 10.342 6.806 1.00 0.00 C ATOM 879 CD ARG A 58 4.580 9.901 8.271 1.00 0.00 C ATOM 880 NE ARG A 58 5.886 10.219 8.889 1.00 0.00 N ATOM 881 CZ ARG A 58 6.962 9.424 8.823 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.895 8.258 8.166 1.00 0.00 N ATOM 883 NH2 ARG A 58 8.107 9.794 9.414 1.00 0.00 N ATOM 0 H ARG A 58 2.102 11.397 3.530 1.00 0.00 H new ATOM 0 HA ARG A 58 4.189 9.674 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.626 11.197 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.607 9.462 6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.242 9.705 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.955 11.360 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.779 10.403 8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.388 8.830 8.338 1.00 0.00 H new ATOM 0 HE ARG A 58 5.973 11.099 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.024 7.976 7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.715 7.653 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.159 10.681 9.914 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.926 9.188 9.363 1.00 0.00 H new ATOM 897 N ALA A 59 2.591 7.870 3.904 1.00 0.00 N ATOM 898 CA ALA A 59 1.683 6.811 3.497 1.00 0.00 C ATOM 899 C ALA A 59 2.041 5.524 4.243 1.00 0.00 C ATOM 900 O ALA A 59 3.212 5.267 4.520 1.00 0.00 O ATOM 901 CB ALA A 59 1.746 6.641 1.978 1.00 0.00 C ATOM 0 H ALA A 59 3.580 7.628 3.849 1.00 0.00 H new ATOM 0 HA ALA A 59 0.655 7.066 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.065 5.847 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.455 7.574 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.763 6.381 1.683 1.00 0.00 H new ATOM 907 N PHE A 60 1.011 4.748 4.547 1.00 0.00 N ATOM 908 CA PHE A 60 1.202 3.494 5.256 1.00 0.00 C ATOM 909 C PHE A 60 0.157 2.460 4.831 1.00 0.00 C ATOM 910 O PHE A 60 -0.622 2.701 3.910 1.00 0.00 O ATOM 911 CB PHE A 60 1.029 3.792 6.746 1.00 0.00 C ATOM 912 CG PHE A 60 1.724 2.786 7.666 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.021 2.444 7.443 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.044 2.234 8.707 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.666 1.510 8.297 1.00 0.00 C ATOM 916 CE2 PHE A 60 1.689 1.300 9.560 1.00 0.00 C ATOM 917 CZ PHE A 60 2.986 0.958 9.338 1.00 0.00 C ATOM 0 H PHE A 60 0.041 4.963 4.315 1.00 0.00 H new ATOM 0 HA PHE A 60 2.189 3.087 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.418 4.789 6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.035 3.810 6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.561 2.882 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.014 2.506 8.885 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.696 1.238 8.120 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.149 0.861 10.386 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.476 0.248 9.988 1.00 0.00 H new ATOM 927 N VAL A 61 0.176 1.329 5.521 1.00 0.00 N ATOM 928 CA VAL A 61 -0.760 0.257 5.227 1.00 0.00 C ATOM 929 C VAL A 61 -0.914 -0.633 6.462 1.00 0.00 C ATOM 930 O VAL A 61 0.036 -0.816 7.222 1.00 0.00 O ATOM 931 CB VAL A 61 -0.299 -0.514 3.988 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.610 0.266 2.709 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.191 -0.852 4.075 1.00 0.00 C ATOM 0 H VAL A 61 0.825 1.132 6.283 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.745 0.662 4.994 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.854 -1.452 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.272 -0.304 1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.685 0.433 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.095 1.226 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.493 -1.400 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.769 0.069 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.374 -1.466 4.957 1.00 0.00 H new ATOM 943 N ARG A 62 -2.118 -1.162 6.623 1.00 0.00 N ATOM 944 CA ARG A 62 -2.409 -2.028 7.753 1.00 0.00 C ATOM 945 C ARG A 62 -3.524 -3.013 7.394 1.00 0.00 C ATOM 946 O ARG A 62 -4.634 -2.604 7.060 1.00 0.00 O ATOM 947 CB ARG A 62 -2.832 -1.214 8.977 1.00 0.00 C ATOM 948 CG ARG A 62 -1.781 -1.303 10.085 1.00 0.00 C ATOM 949 CD ARG A 62 -2.438 -1.542 11.446 1.00 0.00 C ATOM 950 NE ARG A 62 -1.676 -0.845 12.506 1.00 0.00 N ATOM 951 CZ ARG A 62 -1.884 -1.018 13.818 1.00 0.00 C ATOM 952 NH1 ARG A 62 -2.832 -1.865 14.240 1.00 0.00 N ATOM 953 NH2 ARG A 62 -1.145 -0.342 14.709 1.00 0.00 N ATOM 0 H ARG A 62 -2.903 -1.008 5.990 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.498 -2.576 7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.978 -0.172 8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.789 -1.580 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.084 -2.112 9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.200 -0.381 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.467 -1.183 11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.477 -2.611 11.658 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.947 -0.192 12.220 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.396 -2.378 13.562 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.990 -1.997 15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.424 0.304 14.388 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.304 -0.474 15.708 1.00 0.00 H new ATOM 967 N PRO A 63 -3.179 -4.326 7.477 1.00 0.00 N ATOM 968 CA PRO A 63 -4.138 -5.372 7.164 1.00 0.00 C ATOM 969 C PRO A 63 -5.161 -5.533 8.291 1.00 0.00 C ATOM 970 O PRO A 63 -4.892 -5.169 9.435 1.00 0.00 O ATOM 971 CB PRO A 63 -3.300 -6.620 6.940 1.00 0.00 C ATOM 972 CG PRO A 63 -1.953 -6.339 7.587 1.00 0.00 C ATOM 973 CD PRO A 63 -1.874 -4.848 7.869 1.00 0.00 C ATOM 0 HA PRO A 63 -4.734 -5.145 6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.773 -7.494 7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.186 -6.829 5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.847 -6.908 8.510 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.141 -6.646 6.928 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.671 -4.655 8.922 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.072 -4.379 7.298 1.00 0.00 H new ATOM 981 N SER A 64 -6.312 -6.079 7.928 1.00 0.00 N ATOM 982 CA SER A 64 -7.376 -6.292 8.894 1.00 0.00 C ATOM 983 C SER A 64 -7.278 -7.703 9.478 1.00 0.00 C ATOM 984 O SER A 64 -6.232 -8.344 9.389 1.00 0.00 O ATOM 985 CB SER A 64 -8.750 -6.077 8.257 1.00 0.00 C ATOM 986 OG SER A 64 -9.796 -6.094 9.225 1.00 0.00 O ATOM 0 H SER A 64 -6.531 -6.380 6.978 1.00 0.00 H new ATOM 0 HA SER A 64 -7.259 -5.564 9.697 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.760 -5.123 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.931 -6.854 7.514 1.00 0.00 H new ATOM 0 HG SER A 64 -10.657 -5.952 8.779 1.00 0.00 H new ATOM 992 N GLY A 65 -8.381 -8.146 10.063 1.00 0.00 N ATOM 993 CA GLY A 65 -8.432 -9.469 10.662 1.00 0.00 C ATOM 994 C GLY A 65 -9.733 -10.186 10.297 1.00 0.00 C ATOM 995 O GLY A 65 -9.707 -11.285 9.747 1.00 0.00 O ATOM 0 H GLY A 65 -9.247 -7.612 10.135 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.580 -10.059 10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.351 -9.385 11.746 1.00 0.00 H new ATOM 999 N THR A 66 -10.841 -9.533 10.618 1.00 0.00 N ATOM 1000 CA THR A 66 -12.150 -10.095 10.331 1.00 0.00 C ATOM 1001 C THR A 66 -12.444 -10.024 8.831 1.00 0.00 C ATOM 1002 O THR A 66 -12.899 -11.000 8.238 1.00 0.00 O ATOM 1003 CB THR A 66 -13.180 -9.355 11.187 1.00 0.00 C ATOM 1004 OG1 THR A 66 -13.095 -9.991 12.460 1.00 0.00 O ATOM 1005 CG2 THR A 66 -14.617 -9.619 10.733 1.00 0.00 C ATOM 0 H THR A 66 -10.859 -8.621 11.074 1.00 0.00 H new ATOM 0 HA THR A 66 -12.191 -11.153 10.589 1.00 0.00 H new ATOM 0 HB THR A 66 -12.979 -8.284 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.729 -9.572 13.078 1.00 0.00 H new ATOM 0 HG21 THR A 66 -15.308 -9.070 11.374 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.739 -9.289 9.701 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.830 -10.686 10.800 1.00 0.00 H new ATOM 1013 N GLU A 67 -12.170 -8.860 8.262 1.00 0.00 N ATOM 1014 CA GLU A 67 -12.399 -8.649 6.842 1.00 0.00 C ATOM 1015 C GLU A 67 -11.092 -8.810 6.064 1.00 0.00 C ATOM 1016 O GLU A 67 -10.026 -8.960 6.659 1.00 0.00 O ATOM 1017 CB GLU A 67 -13.025 -7.276 6.586 1.00 0.00 C ATOM 1018 CG GLU A 67 -14.317 -7.104 7.386 1.00 0.00 C ATOM 1019 CD GLU A 67 -15.537 -7.094 6.463 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -15.899 -5.986 6.013 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -16.080 -8.195 6.228 1.00 0.00 O ATOM 0 H GLU A 67 -11.792 -8.053 8.758 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.103 -9.404 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.317 -6.493 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.234 -7.160 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.411 -7.913 8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.277 -6.173 7.952 1.00 0.00 H new ATOM 1028 N ASP A 68 -11.217 -8.773 4.746 1.00 0.00 N ATOM 1029 CA ASP A 68 -10.058 -8.913 3.880 1.00 0.00 C ATOM 1030 C ASP A 68 -9.854 -7.616 3.095 1.00 0.00 C ATOM 1031 O ASP A 68 -9.993 -7.596 1.873 1.00 0.00 O ATOM 1032 CB ASP A 68 -10.257 -10.048 2.873 1.00 0.00 C ATOM 1033 CG ASP A 68 -11.463 -9.886 1.946 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -12.198 -8.894 2.139 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -11.623 -10.759 1.065 1.00 0.00 O ATOM 0 H ASP A 68 -12.103 -8.648 4.256 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.194 -9.133 4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.358 -10.134 2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.362 -10.985 3.420 1.00 0.00 H new ATOM 1040 N ILE A 69 -9.527 -6.563 3.830 1.00 0.00 N ATOM 1041 CA ILE A 69 -9.301 -5.264 3.218 1.00 0.00 C ATOM 1042 C ILE A 69 -7.963 -4.702 3.702 1.00 0.00 C ATOM 1043 O ILE A 69 -7.507 -5.031 4.796 1.00 0.00 O ATOM 1044 CB ILE A 69 -10.489 -4.336 3.479 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -11.782 -4.927 2.914 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -10.216 -2.931 2.938 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -13.001 -4.134 3.389 1.00 0.00 C ATOM 0 H ILE A 69 -9.413 -6.583 4.843 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.233 -5.360 2.134 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.621 -4.246 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -11.743 -4.922 1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.877 -5.967 3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.076 -2.291 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.335 -2.517 3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.042 -2.982 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -13.907 -4.575 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.051 -4.161 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.915 -3.100 3.055 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.372 -3.864 2.864 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.095 -3.253 3.193 1.00 0.00 C ATOM 1061 C VAL A 70 -6.308 -1.769 3.500 1.00 0.00 C ATOM 1062 O VAL A 70 -6.339 -0.942 2.590 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.094 -3.492 2.061 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -3.919 -2.516 2.154 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.604 -4.941 2.059 1.00 0.00 C ATOM 0 H VAL A 70 -7.753 -3.593 1.958 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.671 -3.712 4.086 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.607 -3.311 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.222 -2.707 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.289 -1.493 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.408 -2.652 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.894 -5.084 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.116 -5.162 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.452 -5.612 1.922 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.451 -1.478 4.784 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.660 -0.108 5.222 1.00 0.00 C ATOM 1077 C ARG A 71 -5.577 0.805 4.646 1.00 0.00 C ATOM 1078 O ARG A 71 -4.395 0.636 4.942 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.642 -0.009 6.749 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.936 0.616 7.274 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.779 -0.417 8.025 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.305 0.173 9.276 1.00 0.00 N ATOM 1083 CZ ARG A 71 -8.547 0.493 10.333 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -7.224 0.281 10.297 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -9.111 1.023 11.426 1.00 0.00 N ATOM 0 H ARG A 71 -6.426 -2.167 5.536 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.638 0.210 4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.513 -1.002 7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.789 0.590 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.699 1.448 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.510 1.024 6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.604 -0.752 7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.175 -1.295 8.253 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.308 0.347 9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.795 -0.124 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.646 0.525 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.118 1.183 11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.534 1.267 12.231 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.018 1.753 3.832 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.101 2.693 3.211 1.00 0.00 C ATOM 1101 C VAL A 72 -5.075 3.988 4.026 1.00 0.00 C ATOM 1102 O VAL A 72 -6.106 4.425 4.536 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.490 2.915 1.748 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.854 4.194 1.199 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -5.113 1.705 0.891 1.00 0.00 C ATOM 0 H VAL A 72 -6.999 1.890 3.588 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.088 2.291 3.206 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.573 3.033 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.147 4.328 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.193 5.049 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.769 4.117 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.400 1.889 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.037 1.542 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.633 0.821 1.260 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.887 4.565 4.122 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.713 5.801 4.867 1.00 0.00 C ATOM 1117 C TYR A 73 -2.695 6.715 4.182 1.00 0.00 C ATOM 1118 O TYR A 73 -1.582 6.290 3.875 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.175 5.395 6.240 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.642 6.297 7.383 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -4.952 6.730 7.430 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.754 6.678 8.368 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.391 7.579 8.507 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.193 7.528 9.445 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.491 7.936 9.461 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.906 8.738 10.478 1.00 0.00 O ATOM 0 H TYR A 73 -3.035 4.200 3.696 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.655 6.345 4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.482 4.371 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.085 5.401 6.208 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.647 6.432 6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.729 6.339 8.331 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.413 7.925 8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.508 7.834 10.222 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.157 8.910 11.086 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.112 7.954 3.963 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.250 8.931 3.321 1.00 0.00 C ATOM 1138 C ALA A 74 -2.486 10.305 3.951 1.00 0.00 C ATOM 1139 O ALA A 74 -3.616 10.647 4.298 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.510 8.928 1.813 1.00 0.00 C ATOM 0 H ALA A 74 -4.036 8.303 4.219 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.201 8.676 3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.863 9.661 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.300 7.938 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.553 9.183 1.623 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.402 11.056 4.080 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.477 12.385 4.663 1.00 0.00 C ATOM 1148 C GLU A 75 -0.456 13.312 4.001 1.00 0.00 C ATOM 1149 O GLU A 75 0.549 12.852 3.463 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.269 12.332 6.178 1.00 0.00 C ATOM 1151 CG GLU A 75 0.119 11.789 6.522 1.00 0.00 C ATOM 1152 CD GLU A 75 0.254 11.545 8.027 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.418 10.609 8.512 1.00 0.00 O ATOM 1154 OE2 GLU A 75 1.026 12.299 8.657 1.00 0.00 O ATOM 0 H GLU A 75 -0.467 10.769 3.791 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.474 12.785 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.388 13.330 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.033 11.701 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.294 10.859 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.882 12.496 6.195 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.749 14.603 4.063 1.00 0.00 N ATOM 1162 CA ALA A 76 0.131 15.600 3.477 1.00 0.00 C ATOM 1163 C ALA A 76 -0.021 16.919 4.237 1.00 0.00 C ATOM 1164 O ALA A 76 -0.710 16.977 5.255 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.184 15.745 1.987 1.00 0.00 C ATOM 0 H ALA A 76 -1.584 14.982 4.510 1.00 0.00 H new ATOM 0 HA ALA A 76 1.173 15.290 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.476 16.493 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.032 14.788 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.221 16.058 1.863 1.00 0.00 H new ATOM 1171 N ASN A 77 0.632 17.945 3.713 1.00 0.00 N ATOM 1172 CA ASN A 77 0.578 19.260 4.330 1.00 0.00 C ATOM 1173 C ASN A 77 -0.620 20.031 3.772 1.00 0.00 C ATOM 1174 O ASN A 77 -1.015 21.056 4.325 1.00 0.00 O ATOM 1175 CB ASN A 77 1.842 20.065 4.022 1.00 0.00 C ATOM 1176 CG ASN A 77 1.660 21.537 4.398 1.00 0.00 C ATOM 1177 OD1 ASN A 77 1.231 22.359 3.605 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.009 21.823 5.649 1.00 0.00 N ATOM 0 H ASN A 77 1.201 17.893 2.868 1.00 0.00 H new ATOM 0 HA ASN A 77 0.491 19.124 5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.686 19.647 4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.080 19.984 2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.924 22.778 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.361 21.087 6.261 1.00 0.00 H new ATOM 1185 N SER A 78 -1.166 19.507 2.685 1.00 0.00 N ATOM 1186 CA SER A 78 -2.312 20.133 2.046 1.00 0.00 C ATOM 1187 C SER A 78 -3.396 19.088 1.776 1.00 0.00 C ATOM 1188 O SER A 78 -3.093 17.957 1.401 1.00 0.00 O ATOM 1189 CB SER A 78 -1.906 20.826 0.744 1.00 0.00 C ATOM 1190 OG SER A 78 -0.625 21.441 0.843 1.00 0.00 O ATOM 0 H SER A 78 -0.836 18.656 2.230 1.00 0.00 H new ATOM 0 HA SER A 78 -2.708 20.892 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.897 20.097 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.651 21.579 0.487 1.00 0.00 H new ATOM 0 HG SER A 78 -0.402 21.871 -0.009 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.638 19.505 1.978 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.769 18.619 1.761 1.00 0.00 C ATOM 1198 C GLN A 79 -5.831 18.186 0.295 1.00 0.00 C ATOM 1199 O GLN A 79 -6.400 17.144 -0.026 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.077 19.284 2.192 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.338 20.556 1.383 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.789 21.016 1.537 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.583 20.423 2.249 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.090 22.102 0.832 1.00 0.00 N ATOM 0 H GLN A 79 -4.885 20.444 2.289 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.632 17.730 2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.905 18.587 2.058 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.033 19.527 3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.665 21.347 1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.121 20.373 0.331 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.377 22.550 0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.034 22.488 0.867 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.237 19.010 -0.557 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.218 18.726 -1.982 1.00 0.00 C ATOM 1215 C GLU A 80 -4.256 17.574 -2.281 1.00 0.00 C ATOM 1216 O GLU A 80 -4.463 16.817 -3.228 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.845 19.973 -2.785 1.00 0.00 C ATOM 1218 CG GLU A 80 -6.058 20.525 -3.537 1.00 0.00 C ATOM 1219 CD GLU A 80 -6.082 20.023 -4.982 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -6.176 18.788 -5.153 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -6.005 20.886 -5.883 1.00 0.00 O ATOM 0 H GLU A 80 -4.766 19.874 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.221 18.425 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.450 20.737 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.053 19.730 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.974 20.224 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.032 21.615 -3.527 1.00 0.00 H new ATOM 1228 N SER A 81 -3.225 17.477 -1.454 1.00 0.00 N ATOM 1229 CA SER A 81 -2.230 16.430 -1.618 1.00 0.00 C ATOM 1230 C SER A 81 -2.679 15.163 -0.887 1.00 0.00 C ATOM 1231 O SER A 81 -2.598 14.065 -1.434 1.00 0.00 O ATOM 1232 CB SER A 81 -0.863 16.884 -1.103 1.00 0.00 C ATOM 1233 OG SER A 81 -0.921 18.172 -0.497 1.00 0.00 O ATOM 0 H SER A 81 -3.057 18.106 -0.669 1.00 0.00 H new ATOM 0 HA SER A 81 -2.133 16.213 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.490 16.160 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.153 16.904 -1.930 1.00 0.00 H new ATOM 0 HG SER A 81 -0.029 18.425 -0.180 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.142 15.359 0.339 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.604 14.245 1.151 1.00 0.00 C ATOM 1241 C ALA A 82 -4.393 13.272 0.273 1.00 0.00 C ATOM 1242 O ALA A 82 -4.106 12.077 0.252 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.431 14.776 2.323 1.00 0.00 C ATOM 0 H ALA A 82 -3.207 16.272 0.790 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.759 13.699 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.777 13.941 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.816 15.438 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.290 15.328 1.942 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.373 13.822 -0.431 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.206 13.017 -1.308 1.00 0.00 C ATOM 1251 C ASP A 83 -5.349 12.459 -2.447 1.00 0.00 C ATOM 1252 O ASP A 83 -5.301 11.248 -2.656 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.325 13.857 -1.927 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.904 14.937 -1.012 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.188 14.599 0.158 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.050 16.078 -1.502 1.00 0.00 O ATOM 0 H ASP A 83 -5.608 14.814 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.643 12.214 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.944 14.333 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.132 13.191 -2.234 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.695 13.369 -3.153 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.843 12.983 -4.265 1.00 0.00 C ATOM 1263 C ARG A 84 -3.062 11.713 -3.919 1.00 0.00 C ATOM 1264 O ARG A 84 -3.225 10.683 -4.572 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.857 14.099 -4.617 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.171 13.821 -5.956 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.164 15.071 -6.839 1.00 0.00 C ATOM 1268 NE ARG A 84 -1.607 14.747 -8.171 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.288 14.117 -9.138 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -3.556 13.739 -8.926 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.701 13.865 -10.316 1.00 0.00 N ATOM 0 H ARG A 84 -4.738 14.373 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.485 12.796 -5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.383 15.052 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.107 14.188 -3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.148 13.489 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.686 13.010 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.178 15.458 -6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.571 15.855 -6.369 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.644 15.020 -8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.002 13.931 -8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.075 13.259 -9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.736 14.153 -10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.219 13.385 -11.052 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.231 11.828 -2.894 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.425 10.702 -2.454 1.00 0.00 C ATOM 1287 C LEU A 85 -2.335 9.499 -2.195 1.00 0.00 C ATOM 1288 O LEU A 85 -2.211 8.469 -2.856 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.568 11.095 -1.249 1.00 0.00 C ATOM 1290 CG LEU A 85 0.751 10.337 -1.088 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.744 10.725 -2.186 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.334 10.542 0.311 1.00 0.00 C ATOM 0 H LEU A 85 -2.098 12.684 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.722 10.409 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.346 12.160 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.160 10.951 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 85 0.549 9.272 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.673 10.172 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.320 10.485 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.947 11.795 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.271 9.992 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.519 11.603 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.628 10.176 1.057 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.229 9.670 -1.233 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.159 8.611 -0.879 1.00 0.00 C ATOM 1306 C ALA A 86 -4.666 7.936 -2.154 1.00 0.00 C ATOM 1307 O ALA A 86 -4.403 6.756 -2.383 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.297 9.192 -0.036 1.00 0.00 C ATOM 0 H ALA A 86 -3.329 10.526 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.662 7.850 -0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.995 8.398 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.888 9.634 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.820 9.958 -0.609 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.383 8.712 -2.953 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.929 8.204 -4.200 1.00 0.00 C ATOM 1316 C TYR A 87 -4.889 7.373 -4.955 1.00 0.00 C ATOM 1317 O TYR A 87 -5.176 6.259 -5.390 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.286 9.434 -5.036 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.295 9.179 -6.545 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.431 8.689 -7.156 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.166 9.440 -7.295 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.438 8.449 -8.576 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.173 9.200 -8.715 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.309 8.717 -9.285 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.316 8.490 -10.626 1.00 0.00 O ATOM 0 H TYR A 87 -5.599 9.690 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.790 7.564 -4.010 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.269 9.794 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.574 10.229 -4.816 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.315 8.485 -6.569 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.277 9.824 -6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.320 8.065 -9.067 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.296 9.399 -9.313 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.443 8.727 -11.002 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.702 7.947 -5.087 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.618 7.274 -5.781 1.00 0.00 C ATOM 1337 C GLU A 88 -2.298 5.941 -5.101 1.00 0.00 C ATOM 1338 O GLU A 88 -2.407 4.883 -5.718 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.376 8.165 -5.854 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.546 9.257 -6.912 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.212 9.573 -7.592 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.587 10.299 -6.963 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.023 9.082 -8.725 1.00 0.00 O ATOM 0 H GLU A 88 -3.467 8.871 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.939 7.070 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.194 8.622 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.502 7.558 -6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.272 8.935 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.945 10.159 -6.448 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.909 6.037 -3.837 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.573 4.852 -3.066 1.00 0.00 C ATOM 1352 C VAL A 89 -2.667 3.799 -3.254 1.00 0.00 C ATOM 1353 O VAL A 89 -2.422 2.741 -3.832 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.350 5.228 -1.600 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.082 3.985 -0.750 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.214 6.243 -1.460 1.00 0.00 C ATOM 0 H VAL A 89 -1.819 6.917 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.639 4.417 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.263 5.695 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.927 4.280 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.936 3.311 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.191 3.477 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.077 6.493 -0.408 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.707 5.815 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.462 7.146 -2.018 1.00 0.00 H new ATOM 1366 N SER A 90 -3.850 4.126 -2.755 1.00 0.00 N ATOM 1367 CA SER A 90 -4.982 3.221 -2.861 1.00 0.00 C ATOM 1368 C SER A 90 -4.985 2.544 -4.233 1.00 0.00 C ATOM 1369 O SER A 90 -5.083 1.322 -4.326 1.00 0.00 O ATOM 1370 CB SER A 90 -6.301 3.960 -2.631 1.00 0.00 C ATOM 1371 OG SER A 90 -6.336 5.213 -3.309 1.00 0.00 O ATOM 0 H SER A 90 -4.049 5.004 -2.276 1.00 0.00 H new ATOM 0 HA SER A 90 -4.884 2.459 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.129 3.339 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.445 4.122 -1.563 1.00 0.00 H new ATOM 0 HG SER A 90 -5.794 5.866 -2.818 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.877 3.369 -5.264 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.866 2.866 -6.627 1.00 0.00 C ATOM 1379 C LEU A 91 -3.648 1.960 -6.822 1.00 0.00 C ATOM 1380 O LEU A 91 -3.773 0.845 -7.325 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.938 4.022 -7.626 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.329 4.350 -8.174 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.559 5.861 -8.216 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.547 3.698 -9.541 1.00 0.00 C ATOM 0 H LEU A 91 -4.796 4.383 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.750 2.257 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.538 4.916 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.283 3.791 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.072 3.931 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.555 6.067 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.475 6.270 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.812 6.325 -8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.543 3.947 -9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.799 4.066 -10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.455 2.616 -9.447 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.497 2.474 -6.413 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.258 1.725 -6.537 1.00 0.00 C ATOM 1398 C LEU A 92 -1.480 0.294 -6.044 1.00 0.00 C ATOM 1399 O LEU A 92 -1.293 -0.661 -6.795 1.00 0.00 O ATOM 1400 CB LEU A 92 -0.119 2.453 -5.819 1.00 0.00 C ATOM 1401 CG LEU A 92 0.588 3.548 -6.621 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.562 4.331 -5.739 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.275 2.965 -7.858 1.00 0.00 C ATOM 0 H LEU A 92 -2.397 3.399 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.956 1.659 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.517 2.898 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.624 1.715 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.164 4.253 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.051 5.103 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.016 4.796 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.314 3.653 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.770 3.764 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.014 2.226 -7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.531 2.489 -8.497 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.876 0.191 -4.783 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.126 -1.107 -4.181 1.00 0.00 C ATOM 1417 C VAL A 93 -2.912 -1.978 -5.164 1.00 0.00 C ATOM 1418 O VAL A 93 -2.405 -2.990 -5.644 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.835 -0.933 -2.837 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.875 -2.252 -2.062 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.176 0.171 -2.008 1.00 0.00 C ATOM 0 H VAL A 93 -2.030 0.986 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.186 -1.619 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.863 -0.632 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.384 -2.100 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.411 -3.000 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.857 -2.597 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.700 0.274 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.133 -0.087 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.225 1.114 -2.553 1.00 0.00 H new ATOM 1431 N PHE A 94 -4.137 -1.551 -5.433 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.999 -2.279 -6.349 1.00 0.00 C ATOM 1433 C PHE A 94 -4.212 -2.772 -7.566 1.00 0.00 C ATOM 1434 O PHE A 94 -4.541 -3.807 -8.144 1.00 0.00 O ATOM 1435 CB PHE A 94 -6.080 -1.303 -6.817 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.380 -1.979 -7.257 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.394 -2.776 -8.359 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.523 -1.783 -6.545 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.601 -3.404 -8.766 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.730 -2.410 -6.953 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.743 -3.207 -8.055 1.00 0.00 C ATOM 0 H PHE A 94 -4.553 -0.710 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.425 -3.148 -5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.300 -0.606 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.689 -0.715 -7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.487 -2.931 -8.925 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.512 -1.151 -5.670 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.612 -4.038 -9.640 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.637 -2.254 -6.388 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.661 -3.684 -8.365 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.189 -2.008 -7.918 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.353 -2.355 -9.055 1.00 0.00 C ATOM 1453 C GLN A 95 -1.239 -3.310 -8.623 1.00 0.00 C ATOM 1454 O GLN A 95 -1.000 -4.326 -9.274 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.775 -1.100 -9.713 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.720 -0.560 -10.788 1.00 0.00 C ATOM 1457 CD GLN A 95 -2.109 -0.712 -12.182 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.903 -0.730 -12.361 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -3.007 -0.819 -13.158 1.00 0.00 N ATOM 0 H GLN A 95 -2.920 -1.150 -7.436 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.972 -2.862 -9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.604 -0.334 -8.956 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.807 -1.331 -10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.670 -1.093 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.935 0.491 -10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.003 -0.796 -12.939 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.699 -0.924 -14.125 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.586 -2.951 -7.528 1.00 0.00 N ATOM 1469 CA LEU A 96 0.498 -3.764 -7.002 1.00 0.00 C ATOM 1470 C LEU A 96 -0.086 -5.001 -6.316 1.00 0.00 C ATOM 1471 O LEU A 96 -0.231 -6.051 -6.940 1.00 0.00 O ATOM 1472 CB LEU A 96 1.403 -2.927 -6.095 1.00 0.00 C ATOM 1473 CG LEU A 96 2.256 -1.867 -6.794 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.105 -2.490 -7.904 1.00 0.00 C ATOM 1475 CD2 LEU A 96 1.388 -0.719 -7.312 1.00 0.00 C ATOM 0 H LEU A 96 -0.786 -2.108 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 96 1.137 -4.119 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.780 -2.431 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.067 -3.602 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 96 2.944 -1.445 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.702 -1.715 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.766 -3.244 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.453 -2.956 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.019 0.021 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.659 -1.106 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.866 -0.252 -6.477 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.404 -4.836 -5.040 1.00 0.00 N ATOM 1488 CA ALA A 97 -0.968 -5.927 -4.263 1.00 0.00 C ATOM 1489 C ALA A 97 -2.021 -6.654 -5.102 1.00 0.00 C ATOM 1490 O ALA A 97 -2.007 -7.880 -5.195 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.542 -5.378 -2.955 1.00 0.00 C ATOM 0 H ALA A 97 -0.282 -3.964 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.197 -6.652 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.965 -6.196 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.749 -4.897 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.322 -4.649 -3.177 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.908 -5.867 -5.692 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.966 -6.421 -6.521 1.00 0.00 C ATOM 1499 C GLY A 98 -5.310 -6.384 -5.790 1.00 0.00 C ATOM 1500 O GLY A 98 -5.555 -7.190 -4.894 1.00 0.00 O ATOM 0 H GLY A 98 -2.916 -4.850 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.038 -5.857 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.722 -7.449 -6.790 1.00 0.00 H new ATOM 1504 N GLY A 99 -6.145 -5.441 -6.201 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.458 -5.290 -5.597 1.00 0.00 C ATOM 1506 C GLY A 99 -8.539 -5.936 -6.465 1.00 0.00 C ATOM 1507 O GLY A 99 -8.374 -6.060 -7.678 1.00 0.00 O ATOM 0 H GLY A 99 -5.938 -4.774 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.461 -5.746 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.680 -4.232 -5.461 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.621 -6.331 -5.811 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.729 -6.962 -6.508 1.00 0.00 C ATOM 1513 C ILE A 100 -11.980 -6.093 -6.361 1.00 0.00 C ATOM 1514 O ILE A 100 -12.187 -5.469 -5.321 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.919 -8.400 -6.021 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.448 -8.428 -4.586 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.627 -9.205 -6.172 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.175 -9.742 -4.295 1.00 0.00 C ATOM 0 H ILE A 100 -9.754 -6.226 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.515 -7.036 -7.574 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.671 -8.877 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.621 -8.304 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.127 -7.590 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.789 -10.223 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.333 -9.228 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.837 -8.739 -5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.541 -9.736 -3.268 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.016 -9.852 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.487 -10.576 -4.430 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.780 -6.080 -7.417 1.00 0.00 N ATOM 1531 CA GLY A 101 -14.004 -5.298 -7.418 1.00 0.00 C ATOM 1532 C GLY A 101 -13.830 -4.008 -8.221 1.00 0.00 C ATOM 1533 O GLY A 101 -13.056 -3.967 -9.177 1.00 0.00 O ATOM 0 H GLY A 101 -12.604 -6.599 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.816 -5.888 -7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.287 -5.057 -6.393 1.00 0.00 H new ATOM 1537 N GLU A 102 -14.561 -2.985 -7.804 1.00 0.00 N ATOM 1538 CA GLU A 102 -14.497 -1.696 -8.473 1.00 0.00 C ATOM 1539 C GLU A 102 -13.314 -0.882 -7.944 1.00 0.00 C ATOM 1540 O GLU A 102 -13.085 -0.826 -6.737 1.00 0.00 O ATOM 1541 CB GLU A 102 -15.809 -0.927 -8.309 1.00 0.00 C ATOM 1542 CG GLU A 102 -16.762 -1.214 -9.471 1.00 0.00 C ATOM 1543 CD GLU A 102 -18.084 -0.464 -9.295 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -18.014 0.735 -8.946 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -19.134 -1.106 -9.512 1.00 0.00 O ATOM 0 H GLU A 102 -15.201 -3.022 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.347 -1.869 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.283 -1.206 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.604 0.142 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.295 -0.919 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.953 -2.285 -9.533 1.00 0.00 H new ATOM 1552 N ARG A 103 -12.595 -0.271 -8.874 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.442 0.537 -8.516 1.00 0.00 C ATOM 1554 C ARG A 103 -11.867 1.985 -8.262 1.00 0.00 C ATOM 1555 O ARG A 103 -12.878 2.441 -8.793 1.00 0.00 O ATOM 1556 CB ARG A 103 -10.385 0.510 -9.623 1.00 0.00 C ATOM 1557 CG ARG A 103 -9.945 -0.924 -9.925 1.00 0.00 C ATOM 1558 CD ARG A 103 -9.716 -1.123 -11.425 1.00 0.00 C ATOM 1559 NE ARG A 103 -11.015 -1.266 -12.120 1.00 0.00 N ATOM 1560 CZ ARG A 103 -11.143 -1.605 -13.410 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -10.053 -1.838 -14.153 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -12.362 -1.711 -13.957 1.00 0.00 N ATOM 0 H ARG A 103 -12.788 -0.319 -9.874 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.011 0.116 -7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.787 0.969 -10.526 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.522 1.103 -9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -9.028 -1.149 -9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.704 -1.623 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -9.167 -0.274 -11.833 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -9.104 -2.009 -11.594 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.866 -1.096 -11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.125 -1.757 -13.737 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.151 -2.096 -15.135 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.192 -1.534 -13.391 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.460 -1.969 -14.939 1.00 0.00 H new ATOM 1576 N PRO A 104 -11.052 2.685 -7.429 1.00 0.00 N ATOM 1577 CA PRO A 104 -11.333 4.072 -7.098 1.00 0.00 C ATOM 1578 C PRO A 104 -10.988 4.995 -8.267 1.00 0.00 C ATOM 1579 O PRO A 104 -10.116 4.680 -9.075 1.00 0.00 O ATOM 1580 CB PRO A 104 -10.507 4.354 -5.853 1.00 0.00 C ATOM 1581 CG PRO A 104 -9.443 3.269 -5.804 1.00 0.00 C ATOM 1582 CD PRO A 104 -9.845 2.177 -6.781 1.00 0.00 C ATOM 0 HA PRO A 104 -12.391 4.254 -6.907 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.053 5.344 -5.901 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.129 4.332 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.468 3.678 -6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.356 2.865 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.056 1.986 -7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -10.038 1.236 -6.266 1.00 0.00 H new ATOM 1590 N GLN A 105 -11.690 6.118 -8.320 1.00 0.00 N ATOM 1591 CA GLN A 105 -11.468 7.090 -9.378 1.00 0.00 C ATOM 1592 C GLN A 105 -10.831 8.359 -8.807 1.00 0.00 C ATOM 1593 O GLN A 105 -10.873 8.589 -7.600 1.00 0.00 O ATOM 1594 CB GLN A 105 -12.774 7.412 -10.108 1.00 0.00 C ATOM 1595 CG GLN A 105 -13.037 6.405 -11.230 1.00 0.00 C ATOM 1596 CD GLN A 105 -13.714 7.080 -12.424 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -14.926 7.205 -12.495 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -12.867 7.507 -13.356 1.00 0.00 N ATOM 0 H GLN A 105 -12.412 6.376 -7.648 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.781 6.658 -10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.603 7.399 -9.401 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -12.725 8.419 -10.522 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.096 5.955 -11.547 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -13.668 5.597 -10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.864 7.371 -13.234 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -13.221 7.971 -14.193 1.00 0.00 H new ATOM 1607 N PRO A 106 -10.242 9.169 -9.727 1.00 0.00 N ATOM 1608 CA PRO A 106 -9.597 10.409 -9.328 1.00 0.00 C ATOM 1609 C PRO A 106 -10.634 11.483 -8.995 1.00 0.00 C ATOM 1610 O PRO A 106 -11.643 11.614 -9.686 1.00 0.00 O ATOM 1611 CB PRO A 106 -8.708 10.785 -10.502 1.00 0.00 C ATOM 1612 CG PRO A 106 -9.236 10.001 -11.693 1.00 0.00 C ATOM 1613 CD PRO A 106 -10.174 8.928 -11.165 1.00 0.00 C ATOM 0 HA PRO A 106 -9.008 10.303 -8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.746 11.858 -10.693 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.667 10.534 -10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.761 10.662 -12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.414 9.550 -12.248 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.159 9.002 -11.626 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.795 7.929 -11.382 1.00 0.00 H new ATOM 1621 N SER A 107 -10.350 12.226 -7.935 1.00 0.00 N ATOM 1622 CA SER A 107 -11.245 13.285 -7.501 1.00 0.00 C ATOM 1623 C SER A 107 -10.656 14.649 -7.864 1.00 0.00 C ATOM 1624 O SER A 107 -9.597 15.025 -7.363 1.00 0.00 O ATOM 1625 CB SER A 107 -11.506 13.203 -5.996 1.00 0.00 C ATOM 1626 OG SER A 107 -10.404 13.689 -5.235 1.00 0.00 O ATOM 0 H SER A 107 -9.512 12.115 -7.364 1.00 0.00 H new ATOM 0 HA SER A 107 -12.198 13.160 -8.015 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.398 13.780 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.709 12.168 -5.719 1.00 0.00 H new ATOM 0 HG SER A 107 -9.705 14.011 -5.841 1.00 0.00 H new ATOM 1632 N GLY A 108 -11.367 15.353 -8.732 1.00 0.00 N ATOM 1633 CA GLY A 108 -10.928 16.668 -9.168 1.00 0.00 C ATOM 1634 C GLY A 108 -10.966 16.781 -10.694 1.00 0.00 C ATOM 1635 O GLY A 108 -10.759 15.794 -11.398 1.00 0.00 O ATOM 0 H GLY A 108 -12.245 15.038 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.567 17.433 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -9.915 16.854 -8.811 1.00 0.00 H new ATOM 1639 N PRO A 109 -11.240 18.025 -11.171 1.00 0.00 N ATOM 1640 CA PRO A 109 -11.308 18.280 -12.600 1.00 0.00 C ATOM 1641 C PRO A 109 -9.909 18.312 -13.219 1.00 0.00 C ATOM 1642 O PRO A 109 -8.910 18.229 -12.507 1.00 0.00 O ATOM 1643 CB PRO A 109 -12.046 19.603 -12.728 1.00 0.00 C ATOM 1644 CG PRO A 109 -11.953 20.266 -11.364 1.00 0.00 C ATOM 1645 CD PRO A 109 -11.490 19.217 -10.366 1.00 0.00 C ATOM 0 HA PRO A 109 -11.831 17.493 -13.144 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -11.595 20.229 -13.498 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -13.085 19.444 -13.015 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.253 21.101 -11.392 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -12.921 20.672 -11.070 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.589 19.538 -9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.249 19.030 -9.607 1.00 0.00 H new ATOM 1653 N SER A 110 -9.883 18.434 -14.538 1.00 0.00 N ATOM 1654 CA SER A 110 -8.624 18.479 -15.260 1.00 0.00 C ATOM 1655 C SER A 110 -8.652 19.609 -16.292 1.00 0.00 C ATOM 1656 O SER A 110 -9.498 19.618 -17.184 1.00 0.00 O ATOM 1657 CB SER A 110 -8.334 17.142 -15.945 1.00 0.00 C ATOM 1658 OG SER A 110 -7.168 16.514 -15.419 1.00 0.00 O ATOM 0 H SER A 110 -10.714 18.503 -15.125 1.00 0.00 H new ATOM 0 HA SER A 110 -7.826 18.670 -14.543 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.190 16.478 -15.822 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.207 17.303 -17.016 1.00 0.00 H new ATOM 0 HG SER A 110 -7.018 15.663 -15.881 1.00 0.00 H new ATOM 1664 N SER A 111 -7.716 20.534 -16.135 1.00 0.00 N ATOM 1665 CA SER A 111 -7.623 21.665 -17.041 1.00 0.00 C ATOM 1666 C SER A 111 -6.787 21.287 -18.266 1.00 0.00 C ATOM 1667 O SER A 111 -5.756 20.629 -18.139 1.00 0.00 O ATOM 1668 CB SER A 111 -7.017 22.883 -16.341 1.00 0.00 C ATOM 1669 OG SER A 111 -7.058 24.047 -17.163 1.00 0.00 O ATOM 0 H SER A 111 -7.016 20.523 -15.394 1.00 0.00 H new ATOM 0 HA SER A 111 -8.630 21.929 -17.363 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.558 23.075 -15.414 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.984 22.668 -16.069 1.00 0.00 H new ATOM 0 HG SER A 111 -6.664 24.803 -16.680 1.00 0.00 H new ATOM 1675 N GLY A 112 -7.264 21.720 -19.424 1.00 0.00 N ATOM 1676 CA GLY A 112 -6.574 21.435 -20.671 1.00 0.00 C ATOM 1677 C GLY A 112 -6.350 19.931 -20.842 1.00 0.00 C ATOM 1678 O GLY A 112 -5.224 19.490 -21.068 1.00 0.00 O ATOM 0 H GLY A 112 -8.120 22.266 -19.525 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.157 21.817 -21.509 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.615 21.953 -20.687 1.00 0.00 H new TER 1682 GLY A 112