USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 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 62 ASN : amide:sc= 0.941 X(o=1.8,f=1.6) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.884 USER MOD Single : A 1 MET CE :methyl 146:sc= -0.269 (180deg=-3.1!) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0699 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.86 K(o=1.9,f=-0.77) USER MOD Single : A 4 TYR OH : rot 99:sc= 2.12 USER MOD Single : A 13 GLN : amide:sc= 1.57 K(o=1.6,f=-6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.397 K(o=0.4,f=-4!) USER MOD Single : A 23 MET CE :methyl 158:sc= -0.787 (180deg=-1.74!) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 1.21 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.14) USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.13) USER MOD Single : A 36 ASN : amide:sc= 0.186 X(o=0.19,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.854 K(o=0.85,f=-0.27) USER MOD Single : A 55 SER OG : rot 69:sc= 1.26 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 58:sc= 0.996 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0416) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0351 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= 0.826 USER MOD Single : A 77 SER OG : rot 3:sc= 0.352 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 83 HIS : no HE2:sc= 0.254 K(o=0.25,f=-2.3!) USER MOD Single : A 84 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 87 SER OG : rot 180:sc=-0.00953 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.188 -0.160 1.631 1.00 0.00 N ATOM 2 CA MET A 1 2.067 0.066 0.166 1.00 0.00 C ATOM 3 C MET A 1 2.526 -1.175 -0.622 1.00 0.00 C ATOM 4 O MET A 1 2.927 -2.175 -0.024 1.00 0.00 O ATOM 5 CB MET A 1 2.783 1.362 -0.278 1.00 0.00 C ATOM 6 CG MET A 1 1.782 2.498 -0.522 1.00 0.00 C ATOM 7 SD MET A 1 2.457 4.007 -1.277 1.00 0.00 S ATOM 8 CE MET A 1 3.295 3.321 -2.735 1.00 0.00 C ATOM 0 H1 MET A 1 1.262 -0.016 2.082 1.00 0.00 H new ATOM 0 H2 MET A 1 2.511 -1.133 1.807 1.00 0.00 H new ATOM 0 H3 MET A 1 2.875 0.511 2.030 1.00 0.00 H new ATOM 0 HA MET A 1 1.013 0.215 -0.067 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.499 1.664 0.486 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.350 1.172 -1.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.984 2.121 -1.162 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.327 2.765 0.432 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.227 4.029 -3.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.343 3.138 -2.500 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.819 2.383 -3.021 1.00 0.00 H new ATOM 20 N LEU A 2 2.394 -1.151 -1.956 1.00 0.00 N ATOM 21 CA LEU A 2 2.400 -2.321 -2.826 1.00 0.00 C ATOM 22 C LEU A 2 2.897 -1.931 -4.233 1.00 0.00 C ATOM 23 O LEU A 2 3.216 -0.766 -4.483 1.00 0.00 O ATOM 24 CB LEU A 2 0.948 -2.825 -2.910 1.00 0.00 C ATOM 25 CG LEU A 2 0.803 -4.337 -2.696 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.815 -4.686 -1.205 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.493 -4.841 -3.337 1.00 0.00 C ATOM 0 H LEU A 2 2.276 -0.279 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 2 3.063 -3.092 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.349 -2.303 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.539 -2.565 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 2 1.653 -4.827 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.711 -5.764 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.756 -4.360 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.013 -4.183 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.584 -5.916 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.344 -4.334 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.475 -4.633 -4.407 1.00 0.00 H new ATOM 39 N GLN A 3 2.904 -2.885 -5.167 1.00 0.00 N ATOM 40 CA GLN A 3 3.234 -2.711 -6.579 1.00 0.00 C ATOM 41 C GLN A 3 2.379 -3.668 -7.420 1.00 0.00 C ATOM 42 O GLN A 3 2.015 -4.743 -6.935 1.00 0.00 O ATOM 43 CB GLN A 3 4.751 -2.963 -6.751 1.00 0.00 C ATOM 44 CG GLN A 3 5.234 -3.272 -8.180 1.00 0.00 C ATOM 45 CD GLN A 3 6.755 -3.335 -8.368 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.232 -3.430 -9.493 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.566 -3.284 -7.327 1.00 0.00 N ATOM 0 H GLN A 3 2.666 -3.851 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 3 3.014 -1.700 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.287 -2.084 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.035 -3.795 -6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.808 -4.226 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 3 4.834 -2.512 -8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.183 -3.205 -6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.576 -3.324 -7.465 1.00 0.00 H new ATOM 56 N TYR A 4 2.127 -3.312 -8.688 1.00 0.00 N ATOM 57 CA TYR A 4 1.626 -4.229 -9.713 1.00 0.00 C ATOM 58 C TYR A 4 2.682 -4.450 -10.797 1.00 0.00 C ATOM 59 O TYR A 4 3.609 -3.652 -10.966 1.00 0.00 O ATOM 60 CB TYR A 4 0.269 -3.782 -10.320 1.00 0.00 C ATOM 61 CG TYR A 4 0.187 -2.486 -11.138 1.00 0.00 C ATOM 62 CD1 TYR A 4 1.092 -2.176 -12.179 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.883 -1.599 -10.906 1.00 0.00 C ATOM 64 CE1 TYR A 4 1.027 -0.944 -12.846 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.962 -0.366 -11.574 1.00 0.00 C ATOM 66 CZ TYR A 4 0.022 -0.015 -12.522 1.00 0.00 C ATOM 67 OH TYR A 4 0.030 1.202 -13.130 1.00 0.00 O ATOM 0 H TYR A 4 2.269 -2.362 -9.032 1.00 0.00 H new ATOM 0 HA TYR A 4 1.430 -5.181 -9.219 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.084 -4.592 -10.959 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.441 -3.692 -9.498 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.843 -2.897 -12.464 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.656 -1.872 -10.202 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.751 -0.708 -13.611 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.775 0.313 -11.362 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.613 1.202 -13.870 1.00 0.00 H new ATOM 77 N ARG A 5 2.443 -5.466 -11.621 1.00 0.00 N ATOM 78 CA ARG A 5 2.913 -5.576 -12.997 1.00 0.00 C ATOM 79 C ARG A 5 1.669 -5.980 -13.782 1.00 0.00 C ATOM 80 O ARG A 5 0.897 -6.805 -13.297 1.00 0.00 O ATOM 81 CB ARG A 5 4.026 -6.633 -13.087 1.00 0.00 C ATOM 82 CG ARG A 5 4.536 -6.865 -14.522 1.00 0.00 C ATOM 83 CD ARG A 5 5.467 -8.082 -14.615 1.00 0.00 C ATOM 84 NE ARG A 5 4.762 -9.341 -14.301 1.00 0.00 N ATOM 85 CZ ARG A 5 5.216 -10.583 -14.516 1.00 0.00 C ATOM 86 NH1 ARG A 5 6.401 -10.790 -15.086 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.462 -11.610 -14.146 1.00 0.00 N ATOM 0 H ARG A 5 1.890 -6.273 -11.333 1.00 0.00 H new ATOM 0 HA ARG A 5 3.348 -4.655 -13.386 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.861 -6.325 -12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.655 -7.576 -12.685 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.686 -7.008 -15.190 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.066 -5.977 -14.866 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.887 -8.142 -15.619 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.303 -7.953 -13.927 1.00 0.00 H new ATOM 0 HE ARG A 5 3.837 -9.257 -13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.978 -9.997 -15.366 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.732 -11.742 -15.243 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.556 -11.446 -13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.788 -12.564 -14.300 1.00 0.00 H new ATOM 101 N ILE A 6 1.445 -5.416 -14.961 1.00 0.00 N ATOM 102 CA ILE A 6 0.259 -5.673 -15.771 1.00 0.00 C ATOM 103 C ILE A 6 0.753 -5.847 -17.200 1.00 0.00 C ATOM 104 O ILE A 6 1.687 -5.157 -17.608 1.00 0.00 O ATOM 105 CB ILE A 6 -0.745 -4.496 -15.650 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.242 -4.310 -14.199 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.951 -4.665 -16.597 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.984 -2.995 -13.962 1.00 0.00 C ATOM 0 H ILE A 6 2.093 -4.755 -15.390 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.274 -6.564 -15.439 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.198 -3.601 -15.946 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.901 -5.139 -13.942 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.388 -4.361 -13.524 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.628 -3.819 -16.479 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.601 -4.708 -17.628 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.478 -5.588 -16.354 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.301 -2.939 -12.921 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.322 -2.158 -14.186 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.859 -2.949 -14.611 1.00 0.00 H new ATOM 120 N ILE A 7 0.088 -6.700 -17.974 1.00 0.00 N ATOM 121 CA ILE A 7 0.201 -6.749 -19.420 1.00 0.00 C ATOM 122 C ILE A 7 -1.217 -6.707 -19.980 1.00 0.00 C ATOM 123 O ILE A 7 -2.131 -7.304 -19.403 1.00 0.00 O ATOM 124 CB ILE A 7 0.954 -8.002 -19.941 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.103 -9.190 -18.962 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.302 -7.599 -20.557 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.345 -9.129 -18.066 1.00 0.00 C ATOM 0 H ILE A 7 -0.560 -7.392 -17.598 1.00 0.00 H new ATOM 0 HA ILE A 7 0.796 -5.899 -19.754 1.00 0.00 H new ATOM 0 HB ILE A 7 0.294 -8.409 -20.707 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.217 -9.235 -18.329 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.131 -10.116 -19.537 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.818 -8.489 -20.918 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.132 -6.916 -21.389 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.914 -7.106 -19.802 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.366 -10.002 -17.414 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.241 -9.118 -18.686 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.312 -8.224 -17.460 1.00 0.00 H new ATOM 139 N VAL A 8 -1.383 -6.047 -21.123 1.00 0.00 N ATOM 140 CA VAL A 8 -2.646 -5.939 -21.837 1.00 0.00 C ATOM 141 C VAL A 8 -2.388 -6.098 -23.333 1.00 0.00 C ATOM 142 O VAL A 8 -1.315 -5.752 -23.836 1.00 0.00 O ATOM 143 CB VAL A 8 -3.355 -4.602 -21.514 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.906 -4.589 -20.090 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.486 -3.353 -21.713 1.00 0.00 C ATOM 0 H VAL A 8 -0.618 -5.559 -21.589 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.317 -6.734 -21.512 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.166 -4.551 -22.240 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.397 -3.635 -19.899 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.627 -5.398 -19.971 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.088 -4.725 -19.382 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.065 -2.464 -21.463 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.612 -3.411 -21.065 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.164 -3.296 -22.753 1.00 0.00 H new ATOM 155 N ASP A 9 -3.393 -6.596 -24.047 1.00 0.00 N ATOM 156 CA ASP A 9 -3.437 -6.664 -25.501 1.00 0.00 C ATOM 157 C ASP A 9 -4.877 -6.380 -25.923 1.00 0.00 C ATOM 158 O ASP A 9 -5.804 -6.629 -25.149 1.00 0.00 O ATOM 159 CB ASP A 9 -2.981 -8.044 -25.988 1.00 0.00 C ATOM 160 CG ASP A 9 -3.104 -8.171 -27.516 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.654 -7.255 -28.240 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.633 -9.197 -27.998 1.00 0.00 O ATOM 0 H ASP A 9 -4.232 -6.978 -23.610 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.762 -5.932 -25.945 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.946 -8.213 -25.690 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.581 -8.817 -25.508 1.00 0.00 H new ATOM 167 N GLY A 10 -5.068 -5.803 -27.106 1.00 0.00 N ATOM 168 CA GLY A 10 -6.335 -5.281 -27.582 1.00 0.00 C ATOM 169 C GLY A 10 -6.029 -4.063 -28.439 1.00 0.00 C ATOM 170 O GLY A 10 -4.913 -3.924 -28.950 1.00 0.00 O ATOM 0 H GLY A 10 -4.313 -5.684 -27.781 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.868 -6.035 -28.162 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.978 -5.010 -26.745 1.00 0.00 H new ATOM 174 N ARG A 11 -6.979 -3.133 -28.540 1.00 0.00 N ATOM 175 CA ARG A 11 -6.695 -1.790 -29.041 1.00 0.00 C ATOM 176 C ARG A 11 -6.070 -0.994 -27.895 1.00 0.00 C ATOM 177 O ARG A 11 -6.667 -0.043 -27.396 1.00 0.00 O ATOM 178 CB ARG A 11 -7.973 -1.153 -29.625 1.00 0.00 C ATOM 179 CG ARG A 11 -7.679 0.140 -30.408 1.00 0.00 C ATOM 180 CD ARG A 11 -8.962 0.787 -30.948 1.00 0.00 C ATOM 181 NE ARG A 11 -9.618 -0.040 -31.979 1.00 0.00 N ATOM 182 CZ ARG A 11 -10.854 0.148 -32.462 1.00 0.00 C ATOM 183 NH1 ARG A 11 -11.615 1.143 -32.011 1.00 0.00 N ATOM 184 NH2 ARG A 11 -11.327 -0.670 -33.396 1.00 0.00 N ATOM 0 H ARG A 11 -7.953 -3.287 -28.281 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.984 -1.807 -29.867 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.465 -1.869 -30.283 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.669 -0.934 -28.815 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.161 0.847 -29.760 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.008 -0.083 -31.238 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.656 0.954 -30.124 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.724 1.765 -31.367 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.084 -0.823 -32.357 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.259 1.771 -31.291 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.554 1.277 -32.386 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.750 -1.437 -33.742 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.267 -0.531 -33.767 1.00 0.00 H new ATOM 198 N VAL A 12 -4.898 -1.423 -27.427 1.00 0.00 N ATOM 199 CA VAL A 12 -4.201 -0.855 -26.271 1.00 0.00 C ATOM 200 C VAL A 12 -3.268 0.297 -26.679 1.00 0.00 C ATOM 201 O VAL A 12 -2.467 0.777 -25.875 1.00 0.00 O ATOM 202 CB VAL A 12 -3.481 -1.983 -25.493 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.524 -2.921 -24.870 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.504 -2.813 -26.346 1.00 0.00 C ATOM 0 H VAL A 12 -4.391 -2.199 -27.854 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.930 -0.406 -25.596 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.882 -1.488 -24.729 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.018 -3.716 -24.322 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.159 -2.357 -24.187 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.137 -3.358 -25.658 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.042 -3.581 -25.726 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.047 -3.285 -27.165 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.731 -2.161 -26.752 1.00 0.00 H new ATOM 214 N GLN A 13 -3.336 0.746 -27.934 1.00 0.00 N ATOM 215 CA GLN A 13 -2.578 1.874 -28.449 1.00 0.00 C ATOM 216 C GLN A 13 -3.429 2.541 -29.541 1.00 0.00 C ATOM 217 O GLN A 13 -4.372 1.934 -30.061 1.00 0.00 O ATOM 218 CB GLN A 13 -1.212 1.381 -28.977 1.00 0.00 C ATOM 219 CG GLN A 13 -0.067 2.388 -28.756 1.00 0.00 C ATOM 220 CD GLN A 13 0.760 2.159 -27.483 1.00 0.00 C ATOM 221 OE1 GLN A 13 1.981 2.279 -27.502 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.161 1.842 -26.341 1.00 0.00 N ATOM 0 H GLN A 13 -3.940 0.318 -28.636 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.365 2.609 -27.673 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.959 0.442 -28.485 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.298 1.170 -30.043 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.601 2.351 -29.617 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.488 3.393 -28.722 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.853 1.739 -26.309 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.715 1.702 -25.496 1.00 0.00 H new ATOM 231 N GLY A 14 -3.110 3.791 -29.873 1.00 0.00 N ATOM 232 CA GLY A 14 -3.878 4.659 -30.756 1.00 0.00 C ATOM 233 C GLY A 14 -3.471 6.097 -30.447 1.00 0.00 C ATOM 234 O GLY A 14 -2.391 6.310 -29.893 1.00 0.00 O ATOM 0 H GLY A 14 -2.269 4.245 -29.515 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.677 4.419 -31.800 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.947 4.520 -30.597 1.00 0.00 H new ATOM 238 N VAL A 15 -4.314 7.087 -30.749 1.00 0.00 N ATOM 239 CA VAL A 15 -4.004 8.499 -30.498 1.00 0.00 C ATOM 240 C VAL A 15 -3.761 8.819 -29.008 1.00 0.00 C ATOM 241 O VAL A 15 -3.016 9.753 -28.707 1.00 0.00 O ATOM 242 CB VAL A 15 -5.072 9.420 -31.128 1.00 0.00 C ATOM 243 CG1 VAL A 15 -5.047 9.310 -32.661 1.00 0.00 C ATOM 244 CG2 VAL A 15 -6.500 9.138 -30.633 1.00 0.00 C ATOM 0 H VAL A 15 -5.229 6.935 -31.173 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.053 8.701 -30.991 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.810 10.429 -30.811 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.807 9.966 -33.085 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.065 9.605 -33.031 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.252 8.281 -32.955 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.195 9.823 -31.118 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.773 8.111 -30.876 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.545 9.280 -29.553 1.00 0.00 H new ATOM 254 N GLY A 16 -4.314 8.032 -28.070 1.00 0.00 N ATOM 255 CA GLY A 16 -4.033 8.163 -26.636 1.00 0.00 C ATOM 256 C GLY A 16 -2.667 7.596 -26.225 1.00 0.00 C ATOM 257 O GLY A 16 -2.304 7.707 -25.053 1.00 0.00 O ATOM 0 H GLY A 16 -4.972 7.284 -28.290 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.078 9.216 -26.360 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.814 7.652 -26.073 1.00 0.00 H new ATOM 261 N PHE A 17 -1.949 6.979 -27.177 1.00 0.00 N ATOM 262 CA PHE A 17 -0.586 6.443 -27.176 1.00 0.00 C ATOM 263 C PHE A 17 0.026 6.214 -25.791 1.00 0.00 C ATOM 264 O PHE A 17 1.046 6.813 -25.453 1.00 0.00 O ATOM 265 CB PHE A 17 0.307 7.283 -28.113 1.00 0.00 C ATOM 266 CG PHE A 17 1.499 6.506 -28.649 1.00 0.00 C ATOM 267 CD1 PHE A 17 1.326 5.641 -29.747 1.00 0.00 C ATOM 268 CD2 PHE A 17 2.767 6.616 -28.044 1.00 0.00 C ATOM 269 CE1 PHE A 17 2.409 4.884 -30.229 1.00 0.00 C ATOM 270 CE2 PHE A 17 3.848 5.855 -28.524 1.00 0.00 C ATOM 271 CZ PHE A 17 3.670 4.987 -29.616 1.00 0.00 C ATOM 0 H PHE A 17 -2.376 6.826 -28.091 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.650 5.429 -27.571 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.291 7.643 -28.950 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.664 8.161 -27.575 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.359 5.559 -30.220 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.909 7.287 -27.209 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.272 4.222 -31.072 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.816 5.937 -28.053 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.500 4.401 -29.983 1.00 0.00 H new ATOM 281 N ARG A 18 -0.617 5.364 -24.974 1.00 0.00 N ATOM 282 CA ARG A 18 -0.300 5.059 -23.566 1.00 0.00 C ATOM 283 C ARG A 18 -0.043 6.259 -22.638 1.00 0.00 C ATOM 284 O ARG A 18 0.135 6.053 -21.439 1.00 0.00 O ATOM 285 CB ARG A 18 0.751 3.934 -23.444 1.00 0.00 C ATOM 286 CG ARG A 18 2.052 4.170 -24.227 1.00 0.00 C ATOM 287 CD ARG A 18 3.033 2.998 -24.100 1.00 0.00 C ATOM 288 NE ARG A 18 3.741 2.788 -25.371 1.00 0.00 N ATOM 289 CZ ARG A 18 5.028 2.493 -25.555 1.00 0.00 C ATOM 290 NH1 ARG A 18 5.893 2.495 -24.548 1.00 0.00 N ATOM 291 NH2 ARG A 18 5.438 2.172 -26.773 1.00 0.00 N ATOM 0 H ARG A 18 -1.426 4.836 -25.300 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.237 4.676 -23.162 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.998 3.801 -22.391 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.303 3.001 -23.786 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.816 4.330 -25.279 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.530 5.081 -23.866 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.751 3.200 -23.305 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.495 2.092 -23.821 1.00 0.00 H new ATOM 0 HE ARG A 18 3.178 2.879 -26.217 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.578 2.726 -23.606 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.872 2.265 -24.717 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.774 2.154 -27.547 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.418 1.943 -26.937 1.00 0.00 H new ATOM 305 N TYR A 19 -0.154 7.500 -23.108 1.00 0.00 N ATOM 306 CA TYR A 19 -0.340 8.659 -22.255 1.00 0.00 C ATOM 307 C TYR A 19 -1.620 8.466 -21.447 1.00 0.00 C ATOM 308 O TYR A 19 -1.627 8.772 -20.258 1.00 0.00 O ATOM 309 CB TYR A 19 -0.404 9.935 -23.101 1.00 0.00 C ATOM 310 CG TYR A 19 -0.526 11.200 -22.272 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.618 11.758 -21.669 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.785 11.803 -22.079 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.511 12.917 -20.879 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.897 12.965 -21.296 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.752 13.528 -20.689 1.00 0.00 C ATOM 316 OH TYR A 19 -0.877 14.651 -19.928 1.00 0.00 O ATOM 0 H TYR A 19 -0.116 7.725 -24.102 1.00 0.00 H new ATOM 0 HA TYR A 19 0.503 8.763 -21.571 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.492 9.999 -23.718 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.255 9.870 -23.780 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.582 11.294 -21.814 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.665 11.372 -22.533 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.391 13.340 -20.418 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.862 13.429 -21.158 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.816 14.931 -19.910 1.00 0.00 H new ATOM 326 N PHE A 20 -2.673 7.891 -22.049 1.00 0.00 N ATOM 327 CA PHE A 20 -3.916 7.629 -21.326 1.00 0.00 C ATOM 328 C PHE A 20 -3.671 6.778 -20.078 1.00 0.00 C ATOM 329 O PHE A 20 -4.215 7.073 -19.014 1.00 0.00 O ATOM 330 CB PHE A 20 -4.986 7.007 -22.245 1.00 0.00 C ATOM 331 CG PHE A 20 -4.948 5.488 -22.390 1.00 0.00 C ATOM 332 CD1 PHE A 20 -5.558 4.661 -21.420 1.00 0.00 C ATOM 333 CD2 PHE A 20 -4.286 4.896 -23.482 1.00 0.00 C ATOM 334 CE1 PHE A 20 -5.501 3.259 -21.530 1.00 0.00 C ATOM 335 CE2 PHE A 20 -4.227 3.494 -23.596 1.00 0.00 C ATOM 336 CZ PHE A 20 -4.830 2.677 -22.620 1.00 0.00 C ATOM 0 H PHE A 20 -2.684 7.602 -23.027 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.305 8.589 -20.987 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.969 7.291 -21.868 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.885 7.449 -23.236 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.074 5.110 -20.584 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.823 5.518 -24.233 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.969 2.635 -20.783 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.718 3.043 -24.435 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.777 1.602 -22.709 1.00 0.00 H new ATOM 346 N VAL A 21 -2.806 5.766 -20.187 1.00 0.00 N ATOM 347 CA VAL A 21 -2.464 4.894 -19.077 1.00 0.00 C ATOM 348 C VAL A 21 -1.902 5.759 -17.950 1.00 0.00 C ATOM 349 O VAL A 21 -2.346 5.645 -16.811 1.00 0.00 O ATOM 350 CB VAL A 21 -1.474 3.805 -19.545 1.00 0.00 C ATOM 351 CG1 VAL A 21 -1.147 2.839 -18.412 1.00 0.00 C ATOM 352 CG2 VAL A 21 -2.040 2.973 -20.704 1.00 0.00 C ATOM 0 H VAL A 21 -2.325 5.533 -21.056 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.343 4.370 -18.702 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.579 4.334 -19.873 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.448 2.083 -18.769 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.697 3.388 -17.585 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.062 2.355 -18.071 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.311 2.219 -21.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.959 2.482 -20.385 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.253 3.626 -21.551 1.00 0.00 H new ATOM 362 N GLN A 22 -0.998 6.688 -18.266 1.00 0.00 N ATOM 363 CA GLN A 22 -0.381 7.517 -17.245 1.00 0.00 C ATOM 364 C GLN A 22 -1.285 8.664 -16.782 1.00 0.00 C ATOM 365 O GLN A 22 -1.072 9.176 -15.683 1.00 0.00 O ATOM 366 CB GLN A 22 1.020 7.956 -17.690 1.00 0.00 C ATOM 367 CG GLN A 22 1.951 6.806 -18.147 1.00 0.00 C ATOM 368 CD GLN A 22 2.123 5.628 -17.166 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.181 5.089 -16.600 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.335 5.149 -16.954 1.00 0.00 N ATOM 0 H GLN A 22 -0.682 6.880 -19.217 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.249 6.913 -16.347 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.918 8.668 -18.509 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.498 8.484 -16.865 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.570 6.412 -19.089 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.936 7.226 -18.352 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.140 5.577 -17.412 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.466 4.351 -16.333 1.00 0.00 H new ATOM 379 N MET A 23 -2.343 9.013 -17.523 1.00 0.00 N ATOM 380 CA MET A 23 -3.411 9.855 -16.973 1.00 0.00 C ATOM 381 C MET A 23 -4.114 9.092 -15.853 1.00 0.00 C ATOM 382 O MET A 23 -4.309 9.624 -14.764 1.00 0.00 O ATOM 383 CB MET A 23 -4.472 10.259 -18.009 1.00 0.00 C ATOM 384 CG MET A 23 -3.971 11.116 -19.172 1.00 0.00 C ATOM 385 SD MET A 23 -5.314 11.919 -20.099 1.00 0.00 S ATOM 386 CE MET A 23 -6.231 10.495 -20.764 1.00 0.00 C ATOM 0 H MET A 23 -2.482 8.730 -18.493 1.00 0.00 H new ATOM 0 HA MET A 23 -2.935 10.769 -16.618 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.919 9.352 -18.416 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.265 10.803 -17.496 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.296 11.880 -18.787 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.391 10.492 -19.852 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.250 10.798 -21.003 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.739 10.135 -21.667 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.254 9.698 -20.021 1.00 0.00 H new ATOM 396 N GLU A 24 -4.475 7.831 -16.097 1.00 0.00 N ATOM 397 CA GLU A 24 -5.149 6.997 -15.111 1.00 0.00 C ATOM 398 C GLU A 24 -4.200 6.607 -13.964 1.00 0.00 C ATOM 399 O GLU A 24 -4.658 6.346 -12.851 1.00 0.00 O ATOM 400 CB GLU A 24 -5.781 5.779 -15.805 1.00 0.00 C ATOM 401 CG GLU A 24 -6.802 6.177 -16.891 1.00 0.00 C ATOM 402 CD GLU A 24 -7.921 7.081 -16.353 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.725 6.603 -15.526 1.00 0.00 O ATOM 404 OE2 GLU A 24 -7.995 8.267 -16.744 1.00 0.00 O ATOM 0 H GLU A 24 -4.306 7.362 -16.987 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.955 7.567 -14.649 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.994 5.174 -16.256 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.274 5.156 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.283 6.691 -17.700 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.243 5.276 -17.317 1.00 0.00 H new ATOM 411 N ALA A 25 -2.882 6.623 -14.186 1.00 0.00 N ATOM 412 CA ALA A 25 -1.902 6.517 -13.115 1.00 0.00 C ATOM 413 C ALA A 25 -1.944 7.778 -12.253 1.00 0.00 C ATOM 414 O ALA A 25 -2.072 7.676 -11.034 1.00 0.00 O ATOM 415 CB ALA A 25 -0.500 6.315 -13.693 1.00 0.00 C ATOM 0 H ALA A 25 -2.470 6.710 -15.115 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.145 5.654 -12.496 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.221 6.238 -12.879 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.479 5.400 -14.285 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.242 7.163 -14.327 1.00 0.00 H new ATOM 421 N ASP A 26 -1.875 8.960 -12.871 1.00 0.00 N ATOM 422 CA ASP A 26 -1.893 10.246 -12.172 1.00 0.00 C ATOM 423 C ASP A 26 -3.188 10.440 -11.389 1.00 0.00 C ATOM 424 O ASP A 26 -3.150 10.889 -10.246 1.00 0.00 O ATOM 425 CB ASP A 26 -1.721 11.404 -13.159 1.00 0.00 C ATOM 426 CG ASP A 26 -1.841 12.754 -12.435 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.977 13.071 -11.588 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.800 13.508 -12.713 1.00 0.00 O ATOM 0 H ASP A 26 -1.804 9.051 -13.884 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.059 10.240 -11.471 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.749 11.332 -13.647 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.476 11.337 -13.942 1.00 0.00 H new ATOM 433 N LYS A 27 -4.334 10.032 -11.947 1.00 0.00 N ATOM 434 CA LYS A 27 -5.624 10.145 -11.266 1.00 0.00 C ATOM 435 C LYS A 27 -5.693 9.259 -10.012 1.00 0.00 C ATOM 436 O LYS A 27 -6.581 9.446 -9.179 1.00 0.00 O ATOM 437 CB LYS A 27 -6.792 9.983 -12.272 1.00 0.00 C ATOM 438 CG LYS A 27 -7.284 8.559 -12.586 1.00 0.00 C ATOM 439 CD LYS A 27 -8.444 8.096 -11.699 1.00 0.00 C ATOM 440 CE LYS A 27 -8.853 6.633 -11.929 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.817 6.468 -13.043 1.00 0.00 N ATOM 0 H LYS A 27 -4.391 9.617 -12.877 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.735 11.154 -10.869 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.640 10.553 -11.893 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.490 10.447 -13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.596 8.514 -13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.452 7.864 -12.472 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.164 8.225 -10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.306 8.738 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.962 6.041 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.293 6.237 -11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.501 5.722 -12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.322 7.363 -13.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.305 6.203 -13.909 1.00 0.00 H new ATOM 455 N ARG A 28 -4.766 8.309 -9.842 1.00 0.00 N ATOM 456 CA ARG A 28 -4.596 7.483 -8.640 1.00 0.00 C ATOM 457 C ARG A 28 -3.232 7.731 -7.972 1.00 0.00 C ATOM 458 O ARG A 28 -2.859 6.982 -7.070 1.00 0.00 O ATOM 459 CB ARG A 28 -4.790 5.997 -9.018 1.00 0.00 C ATOM 460 CG ARG A 28 -6.186 5.568 -9.507 1.00 0.00 C ATOM 461 CD ARG A 28 -7.304 5.653 -8.453 1.00 0.00 C ATOM 462 NE ARG A 28 -7.719 7.040 -8.182 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.679 7.455 -7.350 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.417 6.587 -6.663 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.879 8.762 -7.226 1.00 0.00 N ATOM 0 H ARG A 28 -4.085 8.085 -10.568 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.350 7.761 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.069 5.751 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.537 5.392 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.463 6.191 -10.358 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.127 4.542 -9.869 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.166 5.080 -8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.961 5.192 -7.527 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.215 7.768 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.255 5.585 -6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.145 6.923 -6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.307 9.418 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.604 9.110 -6.599 1.00 0.00 H new ATOM 479 N LYS A 29 -2.498 8.774 -8.387 1.00 0.00 N ATOM 480 CA LYS A 29 -1.135 9.119 -7.963 1.00 0.00 C ATOM 481 C LYS A 29 -0.218 7.895 -7.835 1.00 0.00 C ATOM 482 O LYS A 29 0.581 7.797 -6.900 1.00 0.00 O ATOM 483 CB LYS A 29 -1.174 10.028 -6.715 1.00 0.00 C ATOM 484 CG LYS A 29 -1.922 11.359 -6.931 1.00 0.00 C ATOM 485 CD LYS A 29 -1.213 12.298 -7.922 1.00 0.00 C ATOM 486 CE LYS A 29 -2.081 13.529 -8.208 1.00 0.00 C ATOM 487 NZ LYS A 29 -1.449 14.426 -9.205 1.00 0.00 N ATOM 0 H LYS A 29 -2.863 9.439 -9.069 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.667 9.703 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.648 9.485 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.152 10.244 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.927 11.148 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.030 11.867 -5.973 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.252 12.610 -7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.006 11.767 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.057 13.209 -8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.251 14.077 -7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.080 15.230 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.545 14.778 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.278 13.900 -10.086 1.00 0.00 H new ATOM 501 N LEU A 30 -0.335 6.956 -8.776 1.00 0.00 N ATOM 502 CA LEU A 30 0.613 5.858 -8.930 1.00 0.00 C ATOM 503 C LEU A 30 1.930 6.407 -9.489 1.00 0.00 C ATOM 504 O LEU A 30 1.959 7.503 -10.059 1.00 0.00 O ATOM 505 CB LEU A 30 0.030 4.791 -9.872 1.00 0.00 C ATOM 506 CG LEU A 30 -1.243 4.097 -9.357 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.649 3.020 -10.359 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.057 3.445 -7.987 1.00 0.00 C ATOM 0 H LEU A 30 -1.096 6.939 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 30 0.801 5.394 -7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.191 5.257 -10.832 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.792 4.033 -10.054 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.011 4.863 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.551 2.518 -10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.843 3.479 -11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.844 2.292 -10.457 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.990 2.973 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.271 2.692 -8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.777 4.205 -7.257 1.00 0.00 H new ATOM 520 N ALA A 31 3.011 5.631 -9.376 1.00 0.00 N ATOM 521 CA ALA A 31 4.332 5.991 -9.881 1.00 0.00 C ATOM 522 C ALA A 31 4.994 4.742 -10.454 1.00 0.00 C ATOM 523 O ALA A 31 4.970 3.698 -9.803 1.00 0.00 O ATOM 524 CB ALA A 31 5.167 6.561 -8.734 1.00 0.00 C ATOM 0 H ALA A 31 2.989 4.718 -8.922 1.00 0.00 H new ATOM 0 HA ALA A 31 4.251 6.744 -10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.156 6.832 -9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.675 7.446 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.266 5.811 -7.949 1.00 0.00 H new ATOM 530 N GLY A 32 5.552 4.822 -11.663 1.00 0.00 N ATOM 531 CA GLY A 32 5.881 3.641 -12.453 1.00 0.00 C ATOM 532 C GLY A 32 6.095 3.974 -13.925 1.00 0.00 C ATOM 533 O GLY A 32 6.259 5.143 -14.278 1.00 0.00 O ATOM 0 H GLY A 32 5.787 5.704 -12.118 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.783 3.178 -12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.078 2.909 -12.361 1.00 0.00 H new ATOM 537 N TRP A 33 6.056 2.969 -14.802 1.00 0.00 N ATOM 538 CA TRP A 33 6.185 3.158 -16.240 1.00 0.00 C ATOM 539 C TRP A 33 5.163 2.348 -17.036 1.00 0.00 C ATOM 540 O TRP A 33 4.519 1.436 -16.507 1.00 0.00 O ATOM 541 CB TRP A 33 7.623 2.885 -16.709 1.00 0.00 C ATOM 542 CG TRP A 33 8.236 1.547 -16.396 1.00 0.00 C ATOM 543 CD1 TRP A 33 9.315 1.391 -15.600 1.00 0.00 C ATOM 544 CD2 TRP A 33 7.894 0.192 -16.857 1.00 0.00 C ATOM 545 NE1 TRP A 33 9.663 0.064 -15.536 1.00 0.00 N ATOM 546 CE2 TRP A 33 8.807 -0.731 -16.259 1.00 0.00 C ATOM 547 CE3 TRP A 33 6.924 -0.375 -17.715 1.00 0.00 C ATOM 548 CZ2 TRP A 33 8.732 -2.118 -16.456 1.00 0.00 C ATOM 549 CZ3 TRP A 33 6.821 -1.764 -17.906 1.00 0.00 C ATOM 550 CH2 TRP A 33 7.714 -2.640 -17.267 1.00 0.00 C ATOM 0 H TRP A 33 5.933 1.994 -14.527 1.00 0.00 H new ATOM 0 HA TRP A 33 5.962 4.206 -16.442 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.650 3.018 -17.791 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.264 3.653 -16.277 1.00 0.00 H new ATOM 0 HD1 TRP A 33 9.829 2.192 -15.089 1.00 0.00 H new ATOM 0 HE1 TRP A 33 10.464 -0.290 -15.013 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.242 0.278 -18.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.450 -2.776 -15.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 6.049 -2.161 -18.549 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.617 -3.707 -17.399 1.00 0.00 H new ATOM 561 N VAL A 34 5.066 2.677 -18.329 1.00 0.00 N ATOM 562 CA VAL A 34 4.327 1.912 -19.340 1.00 0.00 C ATOM 563 C VAL A 34 5.208 1.743 -20.585 1.00 0.00 C ATOM 564 O VAL A 34 5.973 2.640 -20.949 1.00 0.00 O ATOM 565 CB VAL A 34 2.942 2.542 -19.601 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.009 3.946 -20.210 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.086 1.640 -20.499 1.00 0.00 C ATOM 0 H VAL A 34 5.514 3.509 -18.713 1.00 0.00 H new ATOM 0 HA VAL A 34 4.105 0.906 -18.982 1.00 0.00 H new ATOM 0 HB VAL A 34 2.480 2.638 -18.618 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.998 4.324 -20.365 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.545 4.611 -19.533 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.531 3.903 -21.166 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.116 2.108 -20.666 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.589 1.496 -21.455 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.944 0.674 -20.015 1.00 0.00 H new ATOM 577 N LYS A 35 5.125 0.579 -21.230 1.00 0.00 N ATOM 578 CA LYS A 35 6.081 0.073 -22.216 1.00 0.00 C ATOM 579 C LYS A 35 5.305 -0.724 -23.264 1.00 0.00 C ATOM 580 O LYS A 35 4.232 -1.238 -22.947 1.00 0.00 O ATOM 581 CB LYS A 35 7.054 -0.832 -21.442 1.00 0.00 C ATOM 582 CG LYS A 35 8.234 -1.402 -22.248 1.00 0.00 C ATOM 583 CD LYS A 35 9.180 -2.227 -21.358 1.00 0.00 C ATOM 584 CE LYS A 35 8.462 -3.470 -20.812 1.00 0.00 C ATOM 585 NZ LYS A 35 9.332 -4.325 -19.973 1.00 0.00 N ATOM 0 H LYS A 35 4.352 -0.068 -21.072 1.00 0.00 H new ATOM 0 HA LYS A 35 6.629 0.866 -22.726 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.454 -0.266 -20.601 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.489 -1.665 -21.025 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.855 -2.028 -23.056 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.788 -0.585 -22.710 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.056 -2.529 -21.932 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.537 -1.614 -20.531 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.599 -3.155 -20.226 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.082 -4.058 -21.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.766 -5.090 -19.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.086 -4.735 -20.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.756 -3.752 -19.216 1.00 0.00 H new ATOM 599 N ASN A 36 5.838 -0.897 -24.471 1.00 0.00 N ATOM 600 CA ASN A 36 5.289 -1.827 -25.462 1.00 0.00 C ATOM 601 C ASN A 36 6.355 -2.870 -25.787 1.00 0.00 C ATOM 602 O ASN A 36 7.482 -2.528 -26.149 1.00 0.00 O ATOM 603 CB ASN A 36 4.812 -1.104 -26.727 1.00 0.00 C ATOM 604 CG ASN A 36 4.226 -2.098 -27.728 1.00 0.00 C ATOM 605 OD1 ASN A 36 4.812 -2.368 -28.770 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.067 -2.663 -27.427 1.00 0.00 N ATOM 0 H ASN A 36 6.666 -0.396 -24.793 1.00 0.00 H new ATOM 0 HA ASN A 36 4.409 -2.315 -25.044 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.061 -0.359 -26.465 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.646 -0.570 -27.183 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.646 -3.336 -28.067 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.595 -2.425 -26.555 1.00 0.00 H new ATOM 613 N ARG A 37 6.010 -4.142 -25.595 1.00 0.00 N ATOM 614 CA ARG A 37 6.894 -5.288 -25.791 1.00 0.00 C ATOM 615 C ARG A 37 7.001 -5.607 -27.278 1.00 0.00 C ATOM 616 O ARG A 37 6.074 -5.340 -28.044 1.00 0.00 O ATOM 617 CB ARG A 37 6.287 -6.494 -25.059 1.00 0.00 C ATOM 618 CG ARG A 37 6.358 -6.383 -23.527 1.00 0.00 C ATOM 619 CD ARG A 37 5.215 -7.140 -22.842 1.00 0.00 C ATOM 620 NE ARG A 37 5.115 -8.549 -23.253 1.00 0.00 N ATOM 621 CZ ARG A 37 5.153 -9.625 -22.458 1.00 0.00 C ATOM 622 NH1 ARG A 37 5.394 -9.532 -21.151 1.00 0.00 N ATOM 623 NH2 ARG A 37 4.925 -10.819 -22.993 1.00 0.00 N ATOM 0 H ARG A 37 5.075 -4.412 -25.288 1.00 0.00 H new ATOM 0 HA ARG A 37 7.887 -5.064 -25.402 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.245 -6.604 -25.359 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.807 -7.399 -25.374 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.313 -6.777 -23.179 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.322 -5.333 -23.238 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.355 -7.094 -21.762 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.273 -6.638 -23.063 1.00 0.00 H new ATOM 0 HE ARG A 37 5.005 -8.725 -24.252 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.557 -8.619 -20.726 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.416 -10.374 -20.575 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.726 -10.902 -23.990 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.949 -11.653 -22.407 1.00 0.00 H new ATOM 637 N ASP A 38 8.089 -6.271 -27.671 1.00 0.00 N ATOM 638 CA ASP A 38 8.286 -6.750 -29.041 1.00 0.00 C ATOM 639 C ASP A 38 7.206 -7.759 -29.449 1.00 0.00 C ATOM 640 O ASP A 38 6.819 -7.813 -30.616 1.00 0.00 O ATOM 641 CB ASP A 38 9.672 -7.390 -29.174 1.00 0.00 C ATOM 642 CG ASP A 38 9.899 -7.949 -30.589 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.098 -7.153 -31.535 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.919 -9.189 -30.760 1.00 0.00 O ATOM 0 H ASP A 38 8.863 -6.493 -27.045 1.00 0.00 H new ATOM 0 HA ASP A 38 8.211 -5.892 -29.709 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.439 -6.650 -28.946 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.776 -8.192 -28.443 1.00 0.00 H new ATOM 649 N ASP A 39 6.679 -8.528 -28.486 1.00 0.00 N ATOM 650 CA ASP A 39 5.586 -9.483 -28.708 1.00 0.00 C ATOM 651 C ASP A 39 4.217 -8.801 -28.884 1.00 0.00 C ATOM 652 O ASP A 39 3.233 -9.478 -29.187 1.00 0.00 O ATOM 653 CB ASP A 39 5.542 -10.552 -27.601 1.00 0.00 C ATOM 654 CG ASP A 39 4.715 -10.182 -26.361 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.615 -8.988 -26.005 1.00 0.00 O ATOM 656 OD2 ASP A 39 4.242 -11.105 -25.662 1.00 0.00 O ATOM 0 H ASP A 39 7.004 -8.503 -27.520 1.00 0.00 H new ATOM 0 HA ASP A 39 5.803 -9.982 -29.653 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.139 -11.472 -28.024 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.563 -10.766 -27.285 1.00 0.00 H new ATOM 661 N GLY A 40 4.146 -7.475 -28.722 1.00 0.00 N ATOM 662 CA GLY A 40 2.993 -6.651 -29.057 1.00 0.00 C ATOM 663 C GLY A 40 2.217 -6.174 -27.832 1.00 0.00 C ATOM 664 O GLY A 40 1.543 -5.145 -27.921 1.00 0.00 O ATOM 0 H GLY A 40 4.921 -6.933 -28.340 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.328 -5.784 -29.627 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.324 -7.219 -29.704 1.00 0.00 H new ATOM 668 N ARG A 41 2.308 -6.875 -26.692 1.00 0.00 N ATOM 669 CA ARG A 41 1.610 -6.478 -25.466 1.00 0.00 C ATOM 670 C ARG A 41 2.102 -5.109 -25.012 1.00 0.00 C ATOM 671 O ARG A 41 3.293 -4.807 -25.109 1.00 0.00 O ATOM 672 CB ARG A 41 1.861 -7.516 -24.358 1.00 0.00 C ATOM 673 CG ARG A 41 0.801 -8.619 -24.288 1.00 0.00 C ATOM 674 CD ARG A 41 1.295 -9.862 -23.537 1.00 0.00 C ATOM 675 NE ARG A 41 0.379 -11.008 -23.693 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.861 -11.135 -23.199 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.439 -10.186 -22.472 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.568 -12.231 -23.429 1.00 0.00 N ATOM 0 H ARG A 41 2.863 -7.725 -26.597 1.00 0.00 H new ATOM 0 HA ARG A 41 0.540 -6.426 -25.668 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.837 -7.974 -24.517 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.902 -7.004 -23.397 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.090 -8.231 -23.795 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.508 -8.902 -25.299 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.284 -10.137 -23.904 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.402 -9.626 -22.478 1.00 0.00 H new ATOM 0 HE ARG A 41 0.730 -11.794 -24.240 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.937 -9.321 -22.271 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.385 -10.322 -22.115 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.170 -12.987 -23.986 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.511 -12.319 -23.049 1.00 0.00 H new ATOM 692 N VAL A 42 1.212 -4.306 -24.441 1.00 0.00 N ATOM 693 CA VAL A 42 1.625 -3.185 -23.608 1.00 0.00 C ATOM 694 C VAL A 42 1.802 -3.755 -22.206 1.00 0.00 C ATOM 695 O VAL A 42 1.047 -4.635 -21.794 1.00 0.00 O ATOM 696 CB VAL A 42 0.588 -2.050 -23.703 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.766 -0.971 -22.625 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.707 -1.393 -25.085 1.00 0.00 C ATOM 0 H VAL A 42 0.202 -4.410 -24.540 1.00 0.00 H new ATOM 0 HA VAL A 42 2.563 -2.731 -23.928 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.394 -2.496 -23.548 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.003 -0.202 -22.750 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.667 -1.423 -21.638 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.754 -0.521 -22.721 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.021 -0.586 -25.168 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.712 -0.989 -25.211 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.515 -2.136 -25.859 1.00 0.00 H new ATOM 708 N GLU A 43 2.797 -3.258 -21.478 1.00 0.00 N ATOM 709 CA GLU A 43 3.166 -3.711 -20.150 1.00 0.00 C ATOM 710 C GLU A 43 3.300 -2.473 -19.271 1.00 0.00 C ATOM 711 O GLU A 43 3.710 -1.411 -19.747 1.00 0.00 O ATOM 712 CB GLU A 43 4.472 -4.510 -20.245 1.00 0.00 C ATOM 713 CG GLU A 43 4.879 -5.192 -18.929 1.00 0.00 C ATOM 714 CD GLU A 43 6.041 -6.179 -19.137 1.00 0.00 C ATOM 715 OE1 GLU A 43 5.784 -7.362 -19.457 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.215 -5.767 -18.998 1.00 0.00 O ATOM 0 H GLU A 43 3.389 -2.499 -21.814 1.00 0.00 H new ATOM 0 HA GLU A 43 2.417 -4.371 -19.712 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.367 -5.270 -21.020 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.274 -3.842 -20.560 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.170 -4.435 -18.201 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.022 -5.721 -18.513 1.00 0.00 H new ATOM 723 N ILE A 44 2.942 -2.600 -17.999 1.00 0.00 N ATOM 724 CA ILE A 44 2.808 -1.501 -17.064 1.00 0.00 C ATOM 725 C ILE A 44 3.392 -2.000 -15.744 1.00 0.00 C ATOM 726 O ILE A 44 3.188 -3.165 -15.389 1.00 0.00 O ATOM 727 CB ILE A 44 1.316 -1.122 -16.878 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.395 -1.374 -18.105 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.229 0.340 -16.413 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.086 -1.065 -17.864 1.00 0.00 C ATOM 0 H ILE A 44 2.731 -3.506 -17.580 1.00 0.00 H new ATOM 0 HA ILE A 44 3.324 -0.611 -17.423 1.00 0.00 H new ATOM 0 HB ILE A 44 0.925 -1.802 -16.121 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.748 -0.767 -18.939 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.491 -2.417 -18.407 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.183 0.618 -16.279 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.759 0.453 -15.467 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.683 0.988 -17.163 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.653 -1.269 -18.772 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.461 -1.690 -17.054 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.199 -0.015 -17.594 1.00 0.00 H new ATOM 742 N LEU A 45 4.077 -1.139 -14.994 1.00 0.00 N ATOM 743 CA LEU A 45 4.656 -1.510 -13.706 1.00 0.00 C ATOM 744 C LEU A 45 4.674 -0.266 -12.836 1.00 0.00 C ATOM 745 O LEU A 45 5.203 0.749 -13.286 1.00 0.00 O ATOM 746 CB LEU A 45 6.062 -2.079 -13.959 1.00 0.00 C ATOM 747 CG LEU A 45 6.816 -2.488 -12.679 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.709 -3.702 -12.974 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.701 -1.351 -12.145 1.00 0.00 C ATOM 0 H LEU A 45 4.245 -0.169 -15.261 1.00 0.00 H new ATOM 0 HA LEU A 45 4.079 -2.277 -13.190 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.978 -2.948 -14.612 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.653 -1.335 -14.493 1.00 0.00 H new ATOM 0 HG LEU A 45 6.068 -2.728 -11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.242 -3.990 -12.068 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.092 -4.534 -13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.428 -3.444 -13.751 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.214 -1.683 -11.242 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.437 -1.077 -12.901 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.081 -0.485 -11.913 1.00 0.00 H new ATOM 761 N ALA A 46 4.096 -0.309 -11.630 1.00 0.00 N ATOM 762 CA ALA A 46 3.992 0.857 -10.756 1.00 0.00 C ATOM 763 C ALA A 46 3.820 0.447 -9.297 1.00 0.00 C ATOM 764 O ALA A 46 3.253 -0.611 -9.017 1.00 0.00 O ATOM 765 CB ALA A 46 2.778 1.705 -11.161 1.00 0.00 C ATOM 0 H ALA A 46 3.688 -1.156 -11.235 1.00 0.00 H new ATOM 0 HA ALA A 46 4.915 1.428 -10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.706 2.573 -10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.894 2.038 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.871 1.107 -11.073 1.00 0.00 H new ATOM 771 N GLU A 47 4.248 1.315 -8.379 1.00 0.00 N ATOM 772 CA GLU A 47 3.947 1.225 -6.953 1.00 0.00 C ATOM 773 C GLU A 47 2.701 2.064 -6.633 1.00 0.00 C ATOM 774 O GLU A 47 2.400 3.039 -7.331 1.00 0.00 O ATOM 775 CB GLU A 47 5.159 1.638 -6.094 1.00 0.00 C ATOM 776 CG GLU A 47 5.608 3.097 -6.275 1.00 0.00 C ATOM 777 CD GLU A 47 6.729 3.450 -5.289 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.888 3.050 -5.543 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.445 4.092 -4.253 1.00 0.00 O ATOM 0 H GLU A 47 4.828 2.120 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 47 3.732 0.186 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.915 1.475 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.996 0.982 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.955 3.251 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.760 3.765 -6.122 1.00 0.00 H new ATOM 786 N GLY A 48 1.995 1.700 -5.560 1.00 0.00 N ATOM 787 CA GLY A 48 0.825 2.405 -5.047 1.00 0.00 C ATOM 788 C GLY A 48 0.201 1.641 -3.878 1.00 0.00 C ATOM 789 O GLY A 48 0.664 0.546 -3.551 1.00 0.00 O ATOM 0 H GLY A 48 2.233 0.877 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.111 3.406 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.090 2.526 -5.842 1.00 0.00 H new ATOM 793 N PRO A 49 -0.827 2.188 -3.211 1.00 0.00 N ATOM 794 CA PRO A 49 -1.661 1.408 -2.308 1.00 0.00 C ATOM 795 C PRO A 49 -2.544 0.444 -3.113 1.00 0.00 C ATOM 796 O PRO A 49 -2.860 0.702 -4.276 1.00 0.00 O ATOM 797 CB PRO A 49 -2.461 2.436 -1.504 1.00 0.00 C ATOM 798 CG PRO A 49 -2.549 3.643 -2.435 1.00 0.00 C ATOM 799 CD PRO A 49 -1.267 3.573 -3.269 1.00 0.00 C ATOM 0 HA PRO A 49 -1.087 0.775 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.450 2.058 -1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.961 2.688 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.437 3.595 -3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.607 4.575 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.454 3.880 -4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.505 4.242 -2.870 1.00 0.00 H new ATOM 807 N GLU A 50 -2.964 -0.660 -2.493 1.00 0.00 N ATOM 808 CA GLU A 50 -3.678 -1.746 -3.168 1.00 0.00 C ATOM 809 C GLU A 50 -4.948 -1.237 -3.859 1.00 0.00 C ATOM 810 O GLU A 50 -5.202 -1.583 -5.012 1.00 0.00 O ATOM 811 CB GLU A 50 -3.994 -2.847 -2.142 1.00 0.00 C ATOM 812 CG GLU A 50 -4.595 -4.105 -2.787 1.00 0.00 C ATOM 813 CD GLU A 50 -4.911 -5.179 -1.730 1.00 0.00 C ATOM 814 OE1 GLU A 50 -4.039 -6.027 -1.430 1.00 0.00 O ATOM 815 OE2 GLU A 50 -6.043 -5.197 -1.195 1.00 0.00 O ATOM 0 H GLU A 50 -2.817 -0.827 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.045 -2.160 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.081 -3.117 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.690 -2.457 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.506 -3.841 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.898 -4.508 -3.521 1.00 0.00 H new ATOM 822 N ASN A 51 -5.720 -0.374 -3.188 1.00 0.00 N ATOM 823 CA ASN A 51 -6.954 0.173 -3.751 1.00 0.00 C ATOM 824 C ASN A 51 -6.678 0.997 -5.010 1.00 0.00 C ATOM 825 O ASN A 51 -7.419 0.883 -5.985 1.00 0.00 O ATOM 826 CB ASN A 51 -7.686 1.037 -2.713 1.00 0.00 C ATOM 827 CG ASN A 51 -8.901 1.721 -3.336 1.00 0.00 C ATOM 828 OD1 ASN A 51 -8.861 2.904 -3.662 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.994 1.001 -3.527 1.00 0.00 N ATOM 0 H ASN A 51 -5.507 -0.039 -2.248 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.589 -0.669 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.003 0.416 -1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.005 1.789 -2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.818 1.428 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.013 0.019 -3.251 1.00 0.00 H new ATOM 836 N ALA A 52 -5.611 1.801 -5.010 1.00 0.00 N ATOM 837 CA ALA A 52 -5.236 2.612 -6.160 1.00 0.00 C ATOM 838 C ALA A 52 -4.831 1.713 -7.325 1.00 0.00 C ATOM 839 O ALA A 52 -5.280 1.922 -8.451 1.00 0.00 O ATOM 840 CB ALA A 52 -4.082 3.542 -5.772 1.00 0.00 C ATOM 0 H ALA A 52 -4.986 1.904 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.088 3.215 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.800 4.150 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.397 4.192 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.227 2.947 -5.452 1.00 0.00 H new ATOM 846 N LEU A 53 -4.009 0.700 -7.044 1.00 0.00 N ATOM 847 CA LEU A 53 -3.508 -0.237 -8.042 1.00 0.00 C ATOM 848 C LEU A 53 -4.666 -1.008 -8.677 1.00 0.00 C ATOM 849 O LEU A 53 -4.724 -1.141 -9.897 1.00 0.00 O ATOM 850 CB LEU A 53 -2.486 -1.186 -7.388 1.00 0.00 C ATOM 851 CG LEU A 53 -1.179 -0.494 -6.948 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.415 -1.428 -6.017 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.247 -0.116 -8.101 1.00 0.00 C ATOM 0 H LEU A 53 -3.670 0.508 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.006 0.311 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.946 -1.656 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.244 -1.983 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.479 0.434 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.511 -0.948 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.026 -1.650 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.182 -2.355 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.647 0.365 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.037 -1.015 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.760 0.571 -8.773 1.00 0.00 H new ATOM 865 N GLN A 54 -5.618 -1.479 -7.874 1.00 0.00 N ATOM 866 CA GLN A 54 -6.770 -2.224 -8.366 1.00 0.00 C ATOM 867 C GLN A 54 -7.740 -1.325 -9.140 1.00 0.00 C ATOM 868 O GLN A 54 -8.219 -1.712 -10.207 1.00 0.00 O ATOM 869 CB GLN A 54 -7.462 -2.948 -7.199 1.00 0.00 C ATOM 870 CG GLN A 54 -6.644 -4.157 -6.704 1.00 0.00 C ATOM 871 CD GLN A 54 -6.540 -5.272 -7.753 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.528 -5.663 -8.370 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.356 -5.805 -8.002 1.00 0.00 N ATOM 0 H GLN A 54 -5.610 -1.353 -6.862 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.420 -2.975 -9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.611 -2.249 -6.376 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.450 -3.283 -7.515 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.642 -3.825 -6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.104 -4.556 -5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.534 -5.482 -7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.265 -6.539 -8.705 1.00 0.00 H new ATOM 882 N SER A 55 -7.989 -0.106 -8.660 1.00 0.00 N ATOM 883 CA SER A 55 -8.822 0.860 -9.377 1.00 0.00 C ATOM 884 C SER A 55 -8.208 1.171 -10.748 1.00 0.00 C ATOM 885 O SER A 55 -8.915 1.248 -11.753 1.00 0.00 O ATOM 886 CB SER A 55 -8.987 2.143 -8.556 1.00 0.00 C ATOM 887 OG SER A 55 -9.544 1.873 -7.282 1.00 0.00 O ATOM 0 H SER A 55 -7.623 0.237 -7.772 1.00 0.00 H new ATOM 0 HA SER A 55 -9.810 0.425 -9.528 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.018 2.627 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.628 2.841 -9.094 1.00 0.00 H new ATOM 0 HG SER A 55 -8.894 1.381 -6.738 1.00 0.00 H new ATOM 893 N PHE A 56 -6.879 1.296 -10.803 1.00 0.00 N ATOM 894 CA PHE A 56 -6.156 1.461 -12.047 1.00 0.00 C ATOM 895 C PHE A 56 -6.352 0.245 -12.957 1.00 0.00 C ATOM 896 O PHE A 56 -6.660 0.444 -14.127 1.00 0.00 O ATOM 897 CB PHE A 56 -4.684 1.734 -11.738 1.00 0.00 C ATOM 898 CG PHE A 56 -3.806 1.790 -12.963 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.351 0.596 -13.557 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.428 3.032 -13.501 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.524 0.650 -14.686 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.579 3.079 -14.614 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.129 1.891 -15.201 1.00 0.00 C ATOM 0 H PHE A 56 -6.281 1.284 -9.977 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.550 2.317 -12.595 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.604 2.679 -11.201 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.312 0.956 -11.071 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.639 -0.359 -13.143 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.791 3.947 -13.058 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.192 -0.263 -15.158 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.272 4.032 -15.019 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.472 1.931 -16.057 1.00 0.00 H new ATOM 913 N VAL A 57 -6.229 -0.994 -12.457 1.00 0.00 N ATOM 914 CA VAL A 57 -6.471 -2.195 -13.264 1.00 0.00 C ATOM 915 C VAL A 57 -7.857 -2.103 -13.912 1.00 0.00 C ATOM 916 O VAL A 57 -7.977 -2.318 -15.121 1.00 0.00 O ATOM 917 CB VAL A 57 -6.303 -3.477 -12.408 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.834 -4.747 -13.091 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.834 -3.737 -12.048 1.00 0.00 C ATOM 0 H VAL A 57 -5.962 -1.189 -11.492 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.730 -2.256 -14.061 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.894 -3.278 -11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.683 -5.604 -12.434 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.898 -4.631 -13.298 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.298 -4.908 -14.026 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.761 -4.644 -11.448 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.252 -3.858 -12.961 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.444 -2.893 -11.478 1.00 0.00 H new ATOM 929 N GLU A 58 -8.890 -1.732 -13.145 1.00 0.00 N ATOM 930 CA GLU A 58 -10.235 -1.574 -13.690 1.00 0.00 C ATOM 931 C GLU A 58 -10.271 -0.488 -14.769 1.00 0.00 C ATOM 932 O GLU A 58 -10.922 -0.671 -15.795 1.00 0.00 O ATOM 933 CB GLU A 58 -11.257 -1.271 -12.584 1.00 0.00 C ATOM 934 CG GLU A 58 -11.415 -2.439 -11.605 1.00 0.00 C ATOM 935 CD GLU A 58 -12.550 -2.184 -10.596 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.312 -1.553 -9.542 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.695 -2.628 -10.841 1.00 0.00 O ATOM 0 H GLU A 58 -8.815 -1.537 -12.147 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.511 -2.522 -14.152 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.945 -0.381 -12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.223 -1.045 -13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.620 -3.354 -12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.479 -2.594 -11.069 1.00 0.00 H new ATOM 944 N ALA A 59 -9.549 0.616 -14.570 1.00 0.00 N ATOM 945 CA ALA A 59 -9.494 1.717 -15.525 1.00 0.00 C ATOM 946 C ALA A 59 -8.862 1.295 -16.858 1.00 0.00 C ATOM 947 O ALA A 59 -9.390 1.653 -17.913 1.00 0.00 O ATOM 948 CB ALA A 59 -8.750 2.914 -14.920 1.00 0.00 C ATOM 0 H ALA A 59 -8.983 0.769 -13.735 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.520 2.015 -15.741 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.718 3.727 -15.645 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.269 3.249 -14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.733 2.618 -14.662 1.00 0.00 H new ATOM 954 N VAL A 60 -7.766 0.520 -16.836 1.00 0.00 N ATOM 955 CA VAL A 60 -7.171 -0.006 -18.071 1.00 0.00 C ATOM 956 C VAL A 60 -8.171 -0.971 -18.715 1.00 0.00 C ATOM 957 O VAL A 60 -8.478 -0.832 -19.898 1.00 0.00 O ATOM 958 CB VAL A 60 -5.815 -0.719 -17.837 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.110 -0.962 -19.182 1.00 0.00 C ATOM 960 CG2 VAL A 60 -4.840 0.072 -16.957 1.00 0.00 C ATOM 0 H VAL A 60 -7.278 0.246 -15.983 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.960 0.837 -18.729 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.064 -1.648 -17.324 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.158 -1.463 -19.008 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.739 -1.588 -19.815 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.932 -0.007 -19.677 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.915 -0.493 -16.840 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.623 1.031 -17.426 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.288 0.241 -15.978 1.00 0.00 H new ATOM 970 N LYS A 61 -8.715 -1.926 -17.947 1.00 0.00 N ATOM 971 CA LYS A 61 -9.602 -2.966 -18.470 1.00 0.00 C ATOM 972 C LYS A 61 -10.835 -2.352 -19.133 1.00 0.00 C ATOM 973 O LYS A 61 -11.218 -2.764 -20.227 1.00 0.00 O ATOM 974 CB LYS A 61 -9.976 -3.923 -17.324 1.00 0.00 C ATOM 975 CG LYS A 61 -10.766 -5.146 -17.810 1.00 0.00 C ATOM 976 CD LYS A 61 -11.012 -6.132 -16.655 1.00 0.00 C ATOM 977 CE LYS A 61 -11.712 -7.421 -17.114 1.00 0.00 C ATOM 978 NZ LYS A 61 -13.117 -7.205 -17.545 1.00 0.00 N ATOM 0 H LYS A 61 -8.549 -1.996 -16.943 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.088 -3.535 -19.245 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.067 -4.258 -16.824 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.567 -3.384 -16.584 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.720 -4.825 -18.230 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.218 -5.645 -18.609 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.059 -6.386 -16.191 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.619 -5.646 -15.891 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.149 -7.858 -17.939 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.696 -8.145 -16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.532 -8.111 -17.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.667 -6.815 -16.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.137 -6.537 -18.342 1.00 0.00 H new ATOM 992 N ASN A 62 -11.439 -1.349 -18.495 1.00 0.00 N ATOM 993 CA ASN A 62 -12.582 -0.620 -19.033 1.00 0.00 C ATOM 994 C ASN A 62 -12.185 0.289 -20.204 1.00 0.00 C ATOM 995 O ASN A 62 -13.051 0.678 -20.989 1.00 0.00 O ATOM 996 CB ASN A 62 -13.222 0.215 -17.916 1.00 0.00 C ATOM 997 CG ASN A 62 -14.471 0.945 -18.401 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.455 0.324 -18.794 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.467 2.266 -18.374 1.00 0.00 N ATOM 0 H ASN A 62 -11.142 -1.017 -17.577 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.297 -1.348 -19.415 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.482 -0.434 -17.080 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.498 0.940 -17.544 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.289 2.785 -18.682 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.642 2.767 -18.045 1.00 0.00 H new ATOM 1006 N GLY A 63 -10.900 0.637 -20.337 1.00 0.00 N ATOM 1007 CA GLY A 63 -10.422 1.613 -21.305 1.00 0.00 C ATOM 1008 C GLY A 63 -11.112 2.966 -21.105 1.00 0.00 C ATOM 1009 O GLY A 63 -11.590 3.558 -22.074 1.00 0.00 O ATOM 0 H GLY A 63 -10.157 0.239 -19.763 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.343 1.732 -21.204 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.610 1.251 -22.316 1.00 0.00 H new ATOM 1013 N SER A 64 -11.253 3.406 -19.847 1.00 0.00 N ATOM 1014 CA SER A 64 -12.114 4.527 -19.475 1.00 0.00 C ATOM 1015 C SER A 64 -11.884 5.806 -20.307 1.00 0.00 C ATOM 1016 O SER A 64 -12.858 6.301 -20.880 1.00 0.00 O ATOM 1017 CB SER A 64 -12.026 4.775 -17.962 1.00 0.00 C ATOM 1018 OG SER A 64 -12.178 3.555 -17.256 1.00 0.00 O ATOM 0 H SER A 64 -10.766 2.987 -19.055 1.00 0.00 H new ATOM 0 HA SER A 64 -13.136 4.240 -19.721 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.066 5.229 -17.716 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.799 5.479 -17.656 1.00 0.00 H new ATOM 0 HG SER A 64 -12.119 3.725 -16.293 1.00 0.00 H new ATOM 1024 N PRO A 65 -10.654 6.350 -20.434 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.422 7.540 -21.251 1.00 0.00 C ATOM 1026 C PRO A 65 -10.322 7.214 -22.750 1.00 0.00 C ATOM 1027 O PRO A 65 -10.797 7.995 -23.579 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.102 8.121 -20.740 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.343 6.885 -20.266 1.00 0.00 C ATOM 1030 CD PRO A 65 -9.447 6.002 -19.692 1.00 0.00 C ATOM 0 HA PRO A 65 -11.254 8.239 -21.162 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.562 8.649 -21.526 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.261 8.832 -19.930 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.819 6.394 -21.086 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.594 7.135 -19.514 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.205 4.946 -19.810 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.578 6.182 -18.625 1.00 0.00 H new ATOM 1038 N PHE A 66 -9.676 6.099 -23.104 1.00 0.00 N ATOM 1039 CA PHE A 66 -9.276 5.731 -24.457 1.00 0.00 C ATOM 1040 C PHE A 66 -8.893 4.241 -24.456 1.00 0.00 C ATOM 1041 O PHE A 66 -8.699 3.663 -23.380 1.00 0.00 O ATOM 1042 CB PHE A 66 -8.073 6.601 -24.886 1.00 0.00 C ATOM 1043 CG PHE A 66 -7.681 6.422 -26.339 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -8.477 6.983 -27.354 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -6.584 5.607 -26.683 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -8.197 6.707 -28.703 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -6.314 5.320 -28.031 1.00 0.00 C ATOM 1048 CZ PHE A 66 -7.126 5.864 -29.043 1.00 0.00 C ATOM 0 H PHE A 66 -9.406 5.396 -22.416 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.091 5.897 -25.162 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.313 7.650 -24.710 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.217 6.359 -24.255 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.305 7.627 -27.096 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.950 5.202 -25.908 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.807 7.144 -29.480 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.483 4.681 -28.291 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.926 5.634 -30.079 1.00 0.00 H new ATOM 1058 N SER A 67 -8.720 3.660 -25.652 1.00 0.00 N ATOM 1059 CA SER A 67 -8.309 2.275 -25.883 1.00 0.00 C ATOM 1060 C SER A 67 -9.314 1.250 -25.335 1.00 0.00 C ATOM 1061 O SER A 67 -10.331 1.607 -24.734 1.00 0.00 O ATOM 1062 CB SER A 67 -6.878 2.073 -25.346 1.00 0.00 C ATOM 1063 OG SER A 67 -5.930 2.453 -26.325 1.00 0.00 O ATOM 0 H SER A 67 -8.871 4.170 -26.522 1.00 0.00 H new ATOM 0 HA SER A 67 -8.301 2.090 -26.957 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.734 2.664 -24.442 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.729 1.029 -25.071 1.00 0.00 H new ATOM 0 HG SER A 67 -6.082 3.386 -26.583 1.00 0.00 H new ATOM 1069 N LYS A 68 -9.055 -0.040 -25.578 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.735 -1.151 -24.907 1.00 0.00 C ATOM 1071 C LYS A 68 -8.845 -2.385 -24.944 1.00 0.00 C ATOM 1072 O LYS A 68 -7.949 -2.478 -25.787 1.00 0.00 O ATOM 1073 CB LYS A 68 -11.152 -1.406 -25.474 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.319 -1.525 -26.999 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.780 -2.831 -27.607 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.212 -3.018 -29.072 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.663 -3.310 -29.221 1.00 0.00 N ATOM 0 H LYS A 68 -8.357 -0.345 -26.256 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.899 -0.884 -23.863 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.528 -2.326 -25.026 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.797 -0.597 -25.131 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.378 -1.437 -27.242 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.812 -0.684 -27.473 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.692 -2.834 -27.549 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.133 -3.676 -27.016 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.970 -2.116 -29.634 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.637 -3.832 -29.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.870 -3.542 -30.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.919 -4.116 -28.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.216 -2.476 -28.938 1.00 0.00 H new ATOM 1091 N VAL A 69 -9.108 -3.344 -24.064 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.371 -4.600 -24.003 1.00 0.00 C ATOM 1093 C VAL A 69 -9.242 -5.707 -24.606 1.00 0.00 C ATOM 1094 O VAL A 69 -10.473 -5.612 -24.608 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.918 -4.909 -22.553 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -7.176 -3.719 -21.921 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -9.061 -5.316 -21.613 1.00 0.00 C ATOM 0 H VAL A 69 -9.847 -3.270 -23.365 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.455 -4.530 -24.589 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.249 -5.763 -22.659 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.875 -3.976 -20.905 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.291 -3.486 -22.513 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.835 -2.851 -21.896 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.661 -5.515 -20.619 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.790 -4.508 -21.556 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.545 -6.215 -21.996 1.00 0.00 H new ATOM 1107 N THR A 70 -8.603 -6.776 -25.065 1.00 0.00 N ATOM 1108 CA THR A 70 -9.227 -8.061 -25.355 1.00 0.00 C ATOM 1109 C THR A 70 -8.591 -9.155 -24.478 1.00 0.00 C ATOM 1110 O THR A 70 -9.171 -10.232 -24.330 1.00 0.00 O ATOM 1111 CB THR A 70 -9.145 -8.360 -26.865 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.826 -8.209 -27.356 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.038 -7.409 -27.674 1.00 0.00 C ATOM 0 H THR A 70 -7.600 -6.772 -25.252 1.00 0.00 H new ATOM 0 HA THR A 70 -10.288 -8.034 -25.105 1.00 0.00 H new ATOM 0 HB THR A 70 -9.478 -9.391 -26.983 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.809 -8.407 -28.316 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.956 -7.647 -28.734 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.074 -7.523 -27.355 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.718 -6.380 -27.508 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.448 -8.874 -23.835 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.833 -9.713 -22.815 1.00 0.00 C ATOM 1123 C ASP A 71 -6.069 -8.818 -21.837 1.00 0.00 C ATOM 1124 O ASP A 71 -5.494 -7.803 -22.242 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.870 -10.714 -23.466 1.00 0.00 C ATOM 1126 CG ASP A 71 -5.154 -11.555 -22.402 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.811 -12.401 -21.758 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.929 -11.371 -22.226 1.00 0.00 O ATOM 0 H ASP A 71 -6.914 -8.026 -24.023 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.605 -10.270 -22.284 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.421 -11.368 -24.142 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.135 -10.179 -24.068 1.00 0.00 H new ATOM 1133 N ILE A 72 -6.058 -9.192 -20.557 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.340 -8.512 -19.488 1.00 0.00 C ATOM 1135 C ILE A 72 -4.866 -9.584 -18.501 1.00 0.00 C ATOM 1136 O ILE A 72 -5.603 -10.536 -18.221 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.231 -7.416 -18.834 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.488 -6.735 -17.658 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.619 -7.921 -18.388 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.099 -5.399 -17.210 1.00 0.00 C ATOM 0 H ILE A 72 -6.571 -10.010 -20.228 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.469 -7.979 -19.869 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.421 -6.680 -19.615 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.475 -7.418 -16.808 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.451 -6.567 -17.948 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.179 -7.099 -17.942 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.162 -8.304 -19.252 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.498 -8.718 -17.654 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.517 -4.992 -16.383 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.087 -4.696 -18.043 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.127 -5.560 -16.886 1.00 0.00 H new ATOM 1152 N SER A 73 -3.662 -9.407 -17.955 1.00 0.00 N ATOM 1153 CA SER A 73 -3.094 -10.240 -16.903 1.00 0.00 C ATOM 1154 C SER A 73 -2.360 -9.319 -15.928 1.00 0.00 C ATOM 1155 O SER A 73 -1.828 -8.282 -16.336 1.00 0.00 O ATOM 1156 CB SER A 73 -2.140 -11.284 -17.505 1.00 0.00 C ATOM 1157 OG SER A 73 -2.802 -12.130 -18.431 1.00 0.00 O ATOM 0 H SER A 73 -3.038 -8.654 -18.245 1.00 0.00 H new ATOM 0 HA SER A 73 -3.878 -10.786 -16.378 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.313 -10.777 -18.003 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.709 -11.887 -16.705 1.00 0.00 H new ATOM 0 HG SER A 73 -2.164 -12.780 -18.794 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.342 -9.684 -14.645 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.860 -8.840 -13.555 1.00 0.00 C ATOM 1165 C VAL A 74 -1.036 -9.715 -12.603 1.00 0.00 C ATOM 1166 O VAL A 74 -1.346 -10.892 -12.391 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.058 -8.163 -12.839 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.607 -7.179 -11.743 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.981 -7.411 -13.816 1.00 0.00 C ATOM 0 H VAL A 74 -2.670 -10.597 -14.330 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.225 -8.039 -13.933 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.611 -8.984 -12.382 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.483 -6.732 -11.273 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.024 -7.713 -10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.994 -6.395 -12.188 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.803 -6.956 -13.263 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.413 -6.634 -14.327 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.381 -8.110 -14.550 1.00 0.00 H new ATOM 1179 N THR A 75 -0.001 -9.119 -12.019 1.00 0.00 N ATOM 1180 CA THR A 75 0.825 -9.647 -10.943 1.00 0.00 C ATOM 1181 C THR A 75 0.894 -8.528 -9.892 1.00 0.00 C ATOM 1182 O THR A 75 0.757 -7.352 -10.243 1.00 0.00 O ATOM 1183 CB THR A 75 2.234 -9.990 -11.479 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.233 -10.363 -12.852 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.898 -11.129 -10.703 1.00 0.00 C ATOM 0 H THR A 75 0.302 -8.189 -12.307 1.00 0.00 H new ATOM 0 HA THR A 75 0.415 -10.564 -10.519 1.00 0.00 H new ATOM 0 HB THR A 75 2.797 -9.066 -11.348 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.805 -11.239 -12.953 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.885 -11.328 -11.122 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.999 -10.845 -9.655 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.284 -12.027 -10.778 1.00 0.00 H new ATOM 1193 N GLU A 76 1.144 -8.849 -8.623 1.00 0.00 N ATOM 1194 CA GLU A 76 1.351 -7.859 -7.568 1.00 0.00 C ATOM 1195 C GLU A 76 2.504 -8.333 -6.682 1.00 0.00 C ATOM 1196 O GLU A 76 2.845 -9.520 -6.671 1.00 0.00 O ATOM 1197 CB GLU A 76 0.065 -7.637 -6.748 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.061 -6.963 -7.553 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.310 -6.662 -6.702 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -2.808 -7.568 -5.995 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -2.843 -5.531 -6.788 1.00 0.00 O ATOM 0 H GLU A 76 1.209 -9.813 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 76 1.605 -6.897 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.290 -8.597 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.298 -7.023 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.687 -6.033 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.342 -7.608 -8.386 1.00 0.00 H new ATOM 1208 N SER A 77 3.130 -7.410 -5.956 1.00 0.00 N ATOM 1209 CA SER A 77 4.199 -7.677 -4.997 1.00 0.00 C ATOM 1210 C SER A 77 4.213 -6.536 -3.979 1.00 0.00 C ATOM 1211 O SER A 77 3.784 -5.425 -4.292 1.00 0.00 O ATOM 1212 CB SER A 77 5.545 -7.764 -5.732 1.00 0.00 C ATOM 1213 OG SER A 77 5.548 -8.852 -6.642 1.00 0.00 O ATOM 0 H SER A 77 2.898 -6.419 -6.022 1.00 0.00 H new ATOM 0 HA SER A 77 4.032 -8.626 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.733 -6.834 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.353 -7.885 -5.010 1.00 0.00 H new ATOM 0 HG SER A 77 4.668 -9.284 -6.638 1.00 0.00 H new ATOM 1219 N ARG A 78 4.677 -6.790 -2.751 1.00 0.00 N ATOM 1220 CA ARG A 78 4.636 -5.771 -1.697 1.00 0.00 C ATOM 1221 C ARG A 78 5.684 -4.682 -1.934 1.00 0.00 C ATOM 1222 O ARG A 78 5.473 -3.540 -1.531 1.00 0.00 O ATOM 1223 CB ARG A 78 4.830 -6.384 -0.296 1.00 0.00 C ATOM 1224 CG ARG A 78 4.112 -7.718 -0.015 1.00 0.00 C ATOM 1225 CD ARG A 78 2.584 -7.649 -0.099 1.00 0.00 C ATOM 1226 NE ARG A 78 2.006 -6.911 1.043 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.746 -7.013 1.490 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.127 -7.817 0.886 1.00 0.00 N ATOM 1229 NH2 ARG A 78 0.362 -6.300 2.544 1.00 0.00 N ATOM 0 H ARG A 78 5.081 -7.682 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 78 3.644 -5.321 -1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.898 -6.533 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.495 -5.656 0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.469 -8.464 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.393 -8.064 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.292 -7.164 -1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.175 -8.659 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 78 2.622 -6.265 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.160 -8.364 0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.083 -7.886 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.025 -5.679 3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.595 -6.374 2.888 1.00 0.00 H new ATOM 1243 N SER A 79 6.814 -5.031 -2.549 1.00 0.00 N ATOM 1244 CA SER A 79 7.957 -4.148 -2.717 1.00 0.00 C ATOM 1245 C SER A 79 7.571 -2.901 -3.517 1.00 0.00 C ATOM 1246 O SER A 79 7.019 -3.010 -4.611 1.00 0.00 O ATOM 1247 CB SER A 79 9.076 -4.924 -3.424 1.00 0.00 C ATOM 1248 OG SER A 79 9.261 -6.200 -2.821 1.00 0.00 O ATOM 0 H SER A 79 6.958 -5.957 -2.951 1.00 0.00 H new ATOM 0 HA SER A 79 8.305 -3.812 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.830 -5.047 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.005 -4.356 -3.377 1.00 0.00 H new ATOM 0 HG SER A 79 9.977 -6.681 -3.286 1.00 0.00 H new ATOM 1254 N LEU A 80 7.889 -1.719 -2.992 1.00 0.00 N ATOM 1255 CA LEU A 80 7.911 -0.464 -3.744 1.00 0.00 C ATOM 1256 C LEU A 80 9.093 -0.483 -4.727 1.00 0.00 C ATOM 1257 O LEU A 80 9.979 -1.337 -4.625 1.00 0.00 O ATOM 1258 CB LEU A 80 8.043 0.727 -2.773 1.00 0.00 C ATOM 1259 CG LEU A 80 6.730 1.137 -2.074 1.00 0.00 C ATOM 1260 CD1 LEU A 80 6.111 0.007 -1.244 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.994 2.340 -1.163 1.00 0.00 C ATOM 0 H LEU A 80 8.144 -1.604 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 80 6.981 -0.356 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.782 0.477 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.430 1.585 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 80 6.017 1.387 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.191 0.360 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.888 -0.841 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.813 -0.303 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.068 2.632 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.738 2.072 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.365 3.174 -1.759 1.00 0.00 H new ATOM 1273 N GLU A 81 9.147 0.489 -5.639 1.00 0.00 N ATOM 1274 CA GLU A 81 10.255 0.671 -6.577 1.00 0.00 C ATOM 1275 C GLU A 81 11.143 1.852 -6.160 1.00 0.00 C ATOM 1276 O GLU A 81 12.295 1.932 -6.592 1.00 0.00 O ATOM 1277 CB GLU A 81 9.704 0.900 -7.995 1.00 0.00 C ATOM 1278 CG GLU A 81 9.054 -0.349 -8.606 1.00 0.00 C ATOM 1279 CD GLU A 81 10.080 -1.481 -8.826 1.00 0.00 C ATOM 1280 OE1 GLU A 81 10.852 -1.426 -9.811 1.00 0.00 O ATOM 1281 OE2 GLU A 81 10.133 -2.430 -8.010 1.00 0.00 O ATOM 0 H GLU A 81 8.408 1.184 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 81 10.866 -0.232 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.970 1.705 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.515 1.232 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.258 -0.702 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.591 -0.089 -9.558 1.00 0.00 H new ATOM 1288 N GLY A 82 10.638 2.753 -5.312 1.00 0.00 N ATOM 1289 CA GLY A 82 11.299 4.003 -4.977 1.00 0.00 C ATOM 1290 C GLY A 82 11.072 5.003 -6.105 1.00 0.00 C ATOM 1291 O GLY A 82 12.033 5.586 -6.614 1.00 0.00 O ATOM 0 H GLY A 82 9.745 2.626 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.906 4.397 -4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.366 3.837 -4.830 1.00 0.00 H new ATOM 1295 N HIS A 83 9.825 5.146 -6.563 1.00 0.00 N ATOM 1296 CA HIS A 83 9.441 6.029 -7.659 1.00 0.00 C ATOM 1297 C HIS A 83 8.306 6.939 -7.188 1.00 0.00 C ATOM 1298 O HIS A 83 7.492 6.543 -6.352 1.00 0.00 O ATOM 1299 CB HIS A 83 9.007 5.197 -8.882 1.00 0.00 C ATOM 1300 CG HIS A 83 10.106 4.405 -9.557 1.00 0.00 C ATOM 1301 ND1 HIS A 83 11.445 4.377 -9.227 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.951 3.595 -10.650 1.00 0.00 C ATOM 1303 CE1 HIS A 83 12.074 3.565 -10.091 1.00 0.00 C ATOM 1304 NE2 HIS A 83 11.203 3.064 -10.988 1.00 0.00 N ATOM 0 H HIS A 83 9.036 4.635 -6.168 1.00 0.00 H new ATOM 0 HA HIS A 83 10.291 6.643 -7.956 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.225 4.505 -8.569 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.564 5.869 -9.617 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.882 4.886 -8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 83 9.022 3.399 -11.164 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.131 3.344 -10.070 1.00 0.00 H new ATOM 1312 N HIS A 84 8.240 8.153 -7.750 1.00 0.00 N ATOM 1313 CA HIS A 84 7.318 9.207 -7.316 1.00 0.00 C ATOM 1314 C HIS A 84 6.662 9.930 -8.508 1.00 0.00 C ATOM 1315 O HIS A 84 6.011 10.962 -8.325 1.00 0.00 O ATOM 1316 CB HIS A 84 8.078 10.196 -6.411 1.00 0.00 C ATOM 1317 CG HIS A 84 8.819 9.547 -5.264 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.186 9.397 -5.153 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.260 8.966 -4.157 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.441 8.747 -4.004 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.296 8.462 -3.356 1.00 0.00 N ATOM 0 H HIS A 84 8.835 8.433 -8.530 1.00 0.00 H new ATOM 0 HA HIS A 84 6.505 8.749 -6.753 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.790 10.753 -7.019 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.369 10.919 -6.007 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.204 8.906 -3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.428 8.489 -3.650 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.201 7.978 -2.463 1.00 0.00 H new ATOM 1329 N ARG A 85 6.842 9.418 -9.732 1.00 0.00 N ATOM 1330 CA ARG A 85 6.312 9.980 -10.975 1.00 0.00 C ATOM 1331 C ARG A 85 6.054 8.844 -11.965 1.00 0.00 C ATOM 1332 O ARG A 85 6.396 7.694 -11.681 1.00 0.00 O ATOM 1333 CB ARG A 85 7.256 11.083 -11.507 1.00 0.00 C ATOM 1334 CG ARG A 85 8.762 10.750 -11.607 1.00 0.00 C ATOM 1335 CD ARG A 85 9.167 9.741 -12.695 1.00 0.00 C ATOM 1336 NE ARG A 85 8.662 10.098 -14.033 1.00 0.00 N ATOM 1337 CZ ARG A 85 9.032 11.122 -14.809 1.00 0.00 C ATOM 1338 NH1 ARG A 85 10.021 11.940 -14.455 1.00 0.00 N ATOM 1339 NH2 ARG A 85 8.379 11.315 -15.947 1.00 0.00 N ATOM 0 H ARG A 85 7.383 8.567 -9.887 1.00 0.00 H new ATOM 0 HA ARG A 85 5.355 10.473 -10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.909 11.372 -12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.147 11.957 -10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.307 11.678 -11.782 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.092 10.364 -10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.254 9.671 -12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.793 8.754 -12.424 1.00 0.00 H new ATOM 0 HE ARG A 85 7.940 9.487 -14.415 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.515 11.792 -13.575 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.285 12.714 -15.064 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.617 10.690 -16.210 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.639 12.088 -16.559 1.00 0.00 H new ATOM 1353 N PHE A 86 5.459 9.149 -13.117 1.00 0.00 N ATOM 1354 CA PHE A 86 5.047 8.168 -14.117 1.00 0.00 C ATOM 1355 C PHE A 86 5.833 8.396 -15.408 1.00 0.00 C ATOM 1356 O PHE A 86 6.206 9.536 -15.707 1.00 0.00 O ATOM 1357 CB PHE A 86 3.526 8.244 -14.333 1.00 0.00 C ATOM 1358 CG PHE A 86 2.973 9.653 -14.477 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.067 10.338 -15.704 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.399 10.296 -13.363 1.00 0.00 C ATOM 1361 CE1 PHE A 86 2.593 11.658 -15.815 1.00 0.00 C ATOM 1362 CE2 PHE A 86 1.942 11.621 -13.470 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.033 12.301 -14.697 1.00 0.00 C ATOM 0 H PHE A 86 5.245 10.109 -13.387 1.00 0.00 H new ATOM 0 HA PHE A 86 5.270 7.159 -13.769 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.271 7.675 -15.227 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.029 7.758 -13.494 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.504 9.849 -16.562 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.310 9.770 -12.424 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.659 12.178 -16.759 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.520 12.117 -12.608 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.673 13.316 -14.781 1.00 0.00 H new ATOM 1373 N SER A 87 6.098 7.332 -16.170 1.00 0.00 N ATOM 1374 CA SER A 87 7.018 7.376 -17.306 1.00 0.00 C ATOM 1375 C SER A 87 6.547 6.484 -18.460 1.00 0.00 C ATOM 1376 O SER A 87 5.758 5.552 -18.274 1.00 0.00 O ATOM 1377 CB SER A 87 8.413 6.944 -16.829 1.00 0.00 C ATOM 1378 OG SER A 87 8.827 7.704 -15.704 1.00 0.00 O ATOM 0 H SER A 87 5.679 6.415 -16.015 1.00 0.00 H new ATOM 0 HA SER A 87 7.050 8.396 -17.688 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.401 5.885 -16.572 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.132 7.067 -17.639 1.00 0.00 H new ATOM 0 HG SER A 87 9.717 7.409 -15.419 1.00 0.00 H new ATOM 1384 N ILE A 88 7.050 6.746 -19.665 1.00 0.00 N ATOM 1385 CA ILE A 88 6.700 6.004 -20.867 1.00 0.00 C ATOM 1386 C ILE A 88 8.034 5.583 -21.484 1.00 0.00 C ATOM 1387 O ILE A 88 8.851 6.432 -21.849 1.00 0.00 O ATOM 1388 CB ILE A 88 5.797 6.847 -21.806 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.584 7.444 -21.045 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.323 5.952 -22.962 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.551 8.183 -21.905 1.00 0.00 C ATOM 0 H ILE A 88 7.724 7.493 -19.833 1.00 0.00 H new ATOM 0 HA ILE A 88 6.097 5.120 -20.659 1.00 0.00 H new ATOM 0 HB ILE A 88 6.373 7.686 -22.195 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.077 6.636 -20.517 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.958 8.134 -20.288 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.686 6.530 -23.632 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.187 5.581 -23.513 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.759 5.110 -22.562 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.749 8.557 -21.269 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.032 9.019 -22.413 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.137 7.498 -22.645 1.00 0.00 H new ATOM 1403 N VAL A 89 8.285 4.274 -21.517 1.00 0.00 N ATOM 1404 CA VAL A 89 9.531 3.700 -22.014 1.00 0.00 C ATOM 1405 C VAL A 89 9.594 3.932 -23.532 1.00 0.00 C ATOM 1406 O VAL A 89 8.562 3.959 -24.208 1.00 0.00 O ATOM 1407 CB VAL A 89 9.605 2.203 -21.625 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.970 1.580 -21.958 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.362 1.990 -20.118 1.00 0.00 C ATOM 0 H VAL A 89 7.617 3.574 -21.194 1.00 0.00 H new ATOM 0 HA VAL A 89 10.400 4.180 -21.564 1.00 0.00 H new ATOM 0 HB VAL A 89 8.823 1.718 -22.209 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.971 0.530 -21.666 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.155 1.659 -23.029 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.753 2.108 -21.415 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.422 0.927 -19.886 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.118 2.529 -19.548 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.373 2.364 -19.853 1.00 0.00 H new ATOM 1419 N TYR A 90 10.805 4.110 -24.072 1.00 0.00 N ATOM 1420 CA TYR A 90 11.021 4.320 -25.502 1.00 0.00 C ATOM 1421 C TYR A 90 10.573 3.111 -26.336 1.00 0.00 C ATOM 1422 O TYR A 90 10.129 3.287 -27.474 1.00 0.00 O ATOM 1423 CB TYR A 90 12.492 4.683 -25.769 1.00 0.00 C ATOM 1424 CG TYR A 90 13.513 3.682 -25.249 1.00 0.00 C ATOM 1425 CD1 TYR A 90 13.879 2.570 -26.032 1.00 0.00 C ATOM 1426 CD2 TYR A 90 14.095 3.862 -23.977 1.00 0.00 C ATOM 1427 CE1 TYR A 90 14.805 1.632 -25.546 1.00 0.00 C ATOM 1428 CE2 TYR A 90 15.021 2.925 -23.484 1.00 0.00 C ATOM 1429 CZ TYR A 90 15.379 1.803 -24.264 1.00 0.00 C ATOM 1430 OH TYR A 90 16.278 0.902 -23.774 1.00 0.00 O ATOM 0 H TYR A 90 11.665 4.112 -23.524 1.00 0.00 H new ATOM 0 HA TYR A 90 10.399 5.157 -25.817 1.00 0.00 H new ATOM 0 HB2 TYR A 90 12.632 4.795 -26.844 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.697 5.654 -25.318 1.00 0.00 H new ATOM 0 HD1 TYR A 90 13.445 2.438 -27.012 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.829 4.722 -23.380 1.00 0.00 H new ATOM 0 HE1 TYR A 90 15.079 0.780 -26.151 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.459 3.064 -22.507 1.00 0.00 H new ATOM 0 HH TYR A 90 16.567 1.181 -22.880 1.00 0.00 H new ATOM 1440 N SER A 91 10.673 1.899 -25.781 1.00 0.00 N ATOM 1441 CA SER A 91 10.063 0.693 -26.320 1.00 0.00 C ATOM 1442 C SER A 91 8.550 0.854 -26.218 1.00 0.00 C ATOM 1443 O SER A 91 8.026 0.878 -25.083 1.00 0.00 O ATOM 1444 CB SER A 91 10.548 -0.539 -25.547 1.00 0.00 C ATOM 1445 OG SER A 91 11.968 -0.593 -25.529 1.00 0.00 O ATOM 1446 OXT SER A 91 7.892 1.026 -27.263 1.00 0.00 O ATOM 0 H SER A 91 11.196 1.732 -24.921 1.00 0.00 H new ATOM 0 HA SER A 91 10.347 0.548 -27.362 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.167 -0.507 -24.526 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.150 -1.443 -26.008 1.00 0.00 H new ATOM 0 HG SER A 91 12.259 -1.385 -25.030 1.00 0.00 H new TER 1452 SER A 91