USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 45 HIS : no HE2:sc= 1.36 K(o=2.1,f=-18!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0.742 (180deg=-0.264) USER MOD Set 2.1: A 34 TYR OH : rot -171:sc= 1.2 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 1 USER MOD Set 3.1: A 29 HIS : no HE2:sc= -0.258 K(o=0.82,f=-1.7!) USER MOD Set 3.2: A 61 THR OG1 : rot 75:sc= 1.07 USER MOD Set 4.1: A 17 SER OG : rot -82:sc= 1.75 USER MOD Set 4.2: A 18 CYS SG : rot -91:sc= 0.135 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.22 (180deg=1.08) USER MOD Single : A 13 MET CE :methyl -174:sc= -0.7 (180deg=-0.915) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.517) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 120:sc= 0 USER MOD Single : A 27 THR OG1 : rot 51:sc= 0.987 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -176:sc= 0.231 USER MOD Single : A 41 THR OG1 : rot -21:sc= 0.882 USER MOD Single : A 42 ASN : amide:sc= 0.926 K(o=0.93,f=0.22) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0.894 (180deg=0.668) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-4.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -130:sc= 0.693 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0186) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.271 7.685 -19.059 1.00 6.88 N ATOM 2 CA MET A 1 2.779 6.461 -19.708 1.00 6.62 C ATOM 3 C MET A 1 3.844 5.381 -19.536 1.00 5.42 C ATOM 4 O MET A 1 4.961 5.579 -20.004 1.00 5.54 O ATOM 5 CB MET A 1 2.476 6.688 -21.196 1.00 7.57 C ATOM 6 CG MET A 1 1.248 7.580 -21.413 1.00 8.96 C ATOM 7 SD MET A 1 0.758 7.747 -23.148 1.00 10.24 S ATOM 8 CE MET A 1 -0.692 8.807 -22.963 1.00 11.60 C ATOM 0 H1 MET A 1 2.621 8.471 -19.261 1.00 6.88 H new ATOM 0 H2 MET A 1 3.324 7.536 -18.031 1.00 6.88 H new ATOM 0 H3 MET A 1 4.217 7.916 -19.425 1.00 6.88 H new ATOM 0 HA MET A 1 1.842 6.155 -19.242 1.00 6.62 H new ATOM 0 HB2 MET A 1 3.342 7.144 -21.675 1.00 7.57 H new ATOM 0 HB3 MET A 1 2.313 5.726 -21.682 1.00 7.57 H new ATOM 0 HG2 MET A 1 0.411 7.172 -20.847 1.00 8.96 H new ATOM 0 HG3 MET A 1 1.455 8.570 -21.007 1.00 8.96 H new ATOM 0 HE1 MET A 1 -1.121 9.011 -23.944 1.00 11.60 H new ATOM 0 HE2 MET A 1 -1.432 8.305 -22.340 1.00 11.60 H new ATOM 0 HE3 MET A 1 -0.399 9.746 -22.493 1.00 11.60 H new ATOM 20 N GLY A 2 3.520 4.291 -18.840 1.00 5.14 N ATOM 21 CA GLY A 2 4.492 3.277 -18.439 1.00 4.80 C ATOM 22 C GLY A 2 5.049 3.675 -17.075 1.00 3.86 C ATOM 23 O GLY A 2 6.257 3.771 -16.876 1.00 4.21 O ATOM 0 H GLY A 2 2.568 4.087 -18.537 1.00 5.14 H new ATOM 0 HA2 GLY A 2 4.020 2.296 -18.387 1.00 4.80 H new ATOM 0 HA3 GLY A 2 5.295 3.206 -19.173 1.00 4.80 H new ATOM 27 N ASP A 3 4.118 3.983 -16.177 1.00 3.28 N ATOM 28 CA ASP A 3 4.305 4.829 -15.013 1.00 2.83 C ATOM 29 C ASP A 3 4.586 3.963 -13.787 1.00 1.77 C ATOM 30 O ASP A 3 4.494 2.735 -13.861 1.00 2.05 O ATOM 31 CB ASP A 3 3.020 5.663 -14.837 1.00 3.78 C ATOM 32 CG ASP A 3 2.477 6.158 -16.175 1.00 5.10 C ATOM 33 OD1 ASP A 3 1.933 5.307 -16.923 1.00 5.43 O ATOM 34 OD2 ASP A 3 2.714 7.335 -16.524 1.00 6.31 O ATOM 0 H ASP A 3 3.164 3.628 -16.250 1.00 3.28 H new ATOM 0 HA ASP A 3 5.158 5.496 -15.139 1.00 2.83 H new ATOM 0 HB2 ASP A 3 2.261 5.060 -14.337 1.00 3.78 H new ATOM 0 HB3 ASP A 3 3.226 6.516 -14.191 1.00 3.78 H new ATOM 39 N GLY A 4 4.912 4.582 -12.651 1.00 1.35 N ATOM 40 CA GLY A 4 5.154 3.842 -11.430 1.00 1.15 C ATOM 41 C GLY A 4 3.974 2.946 -11.044 1.00 1.25 C ATOM 42 O GLY A 4 2.803 3.269 -11.256 1.00 2.02 O ATOM 0 H GLY A 4 5.012 5.593 -12.560 1.00 1.35 H new ATOM 0 HA2 GLY A 4 6.047 3.229 -11.551 1.00 1.15 H new ATOM 0 HA3 GLY A 4 5.355 4.542 -10.619 1.00 1.15 H new ATOM 46 N VAL A 5 4.299 1.786 -10.475 1.00 0.93 N ATOM 47 CA VAL A 5 3.355 0.857 -9.894 1.00 0.98 C ATOM 48 C VAL A 5 4.127 0.047 -8.862 1.00 0.87 C ATOM 49 O VAL A 5 5.324 -0.171 -9.025 1.00 1.16 O ATOM 50 CB VAL A 5 2.700 -0.016 -10.982 1.00 1.21 C ATOM 51 CG1 VAL A 5 3.720 -0.780 -11.836 1.00 1.71 C ATOM 52 CG2 VAL A 5 1.713 -1.015 -10.366 1.00 2.03 C ATOM 0 H VAL A 5 5.264 1.464 -10.408 1.00 0.93 H new ATOM 0 HA VAL A 5 2.526 1.372 -9.409 1.00 0.98 H new ATOM 0 HB VAL A 5 2.170 0.676 -11.636 1.00 1.21 H new ATOM 0 HG11 VAL A 5 3.196 -1.376 -12.583 1.00 1.71 H new ATOM 0 HG12 VAL A 5 4.380 -0.071 -12.335 1.00 1.71 H new ATOM 0 HG13 VAL A 5 4.310 -1.437 -11.197 1.00 1.71 H new ATOM 0 HG21 VAL A 5 1.265 -1.618 -11.156 1.00 2.03 H new ATOM 0 HG22 VAL A 5 2.241 -1.665 -9.668 1.00 2.03 H new ATOM 0 HG23 VAL A 5 0.930 -0.473 -9.835 1.00 2.03 H new ATOM 62 N LEU A 6 3.452 -0.362 -7.793 1.00 0.69 N ATOM 63 CA LEU A 6 3.992 -1.170 -6.723 1.00 0.73 C ATOM 64 C LEU A 6 2.870 -2.119 -6.323 1.00 0.77 C ATOM 65 O LEU A 6 1.729 -1.672 -6.206 1.00 1.24 O ATOM 66 CB LEU A 6 4.393 -0.216 -5.585 1.00 0.84 C ATOM 67 CG LEU A 6 4.672 -0.865 -4.221 1.00 1.37 C ATOM 68 CD1 LEU A 6 5.868 -1.815 -4.291 1.00 1.80 C ATOM 69 CD2 LEU A 6 4.966 0.242 -3.202 1.00 2.06 C ATOM 0 H LEU A 6 2.470 -0.125 -7.649 1.00 0.69 H new ATOM 0 HA LEU A 6 4.875 -1.748 -6.996 1.00 0.73 H new ATOM 0 HB2 LEU A 6 5.285 0.329 -5.894 1.00 0.84 H new ATOM 0 HB3 LEU A 6 3.598 0.519 -5.458 1.00 0.84 H new ATOM 0 HG LEU A 6 3.797 -1.443 -3.924 1.00 1.37 H new ATOM 0 HD11 LEU A 6 6.039 -2.258 -3.310 1.00 1.80 H new ATOM 0 HD12 LEU A 6 5.664 -2.604 -5.015 1.00 1.80 H new ATOM 0 HD13 LEU A 6 6.755 -1.261 -4.599 1.00 1.80 H new ATOM 0 HD21 LEU A 6 5.166 -0.204 -2.228 1.00 2.06 H new ATOM 0 HD22 LEU A 6 5.837 0.813 -3.526 1.00 2.06 H new ATOM 0 HD23 LEU A 6 4.105 0.906 -3.127 1.00 2.06 H new ATOM 81 N GLU A 7 3.173 -3.403 -6.107 1.00 0.57 N ATOM 82 CA GLU A 7 2.326 -4.233 -5.271 1.00 0.61 C ATOM 83 C GLU A 7 3.109 -4.636 -4.055 1.00 0.62 C ATOM 84 O GLU A 7 4.304 -4.906 -4.148 1.00 0.84 O ATOM 85 CB GLU A 7 1.806 -5.498 -5.940 1.00 0.96 C ATOM 86 CG GLU A 7 1.039 -5.111 -7.189 1.00 0.98 C ATOM 87 CD GLU A 7 0.024 -6.165 -7.601 1.00 1.03 C ATOM 88 OE1 GLU A 7 0.175 -7.345 -7.211 1.00 2.34 O ATOM 89 OE2 GLU A 7 -1.022 -5.789 -8.182 1.00 2.08 O ATOM 0 H GLU A 7 3.988 -3.877 -6.497 1.00 0.57 H new ATOM 0 HA GLU A 7 1.450 -3.628 -5.035 1.00 0.61 H new ATOM 0 HB2 GLU A 7 2.635 -6.158 -6.196 1.00 0.96 H new ATOM 0 HB3 GLU A 7 1.160 -6.048 -5.256 1.00 0.96 H new ATOM 0 HG2 GLU A 7 0.526 -4.165 -7.017 1.00 0.98 H new ATOM 0 HG3 GLU A 7 1.741 -4.949 -8.007 1.00 0.98 H new ATOM 96 N LEU A 8 2.398 -4.736 -2.941 1.00 0.55 N ATOM 97 CA LEU A 8 2.890 -5.374 -1.749 1.00 0.60 C ATOM 98 C LEU A 8 1.807 -6.303 -1.239 1.00 0.55 C ATOM 99 O LEU A 8 0.625 -6.007 -1.406 1.00 0.55 O ATOM 100 CB LEU A 8 3.364 -4.318 -0.733 1.00 0.74 C ATOM 101 CG LEU A 8 2.392 -3.154 -0.470 1.00 1.06 C ATOM 102 CD1 LEU A 8 1.359 -3.520 0.598 1.00 2.22 C ATOM 103 CD2 LEU A 8 3.173 -1.933 0.020 1.00 1.70 C ATOM 0 H LEU A 8 1.451 -4.368 -2.848 1.00 0.55 H new ATOM 0 HA LEU A 8 3.773 -5.982 -1.947 1.00 0.60 H new ATOM 0 HB2 LEU A 8 3.566 -4.818 0.214 1.00 0.74 H new ATOM 0 HB3 LEU A 8 4.310 -3.904 -1.083 1.00 0.74 H new ATOM 0 HG LEU A 8 1.877 -2.936 -1.405 1.00 1.06 H new ATOM 0 HD11 LEU A 8 0.688 -2.676 0.760 1.00 2.22 H new ATOM 0 HD12 LEU A 8 0.783 -4.383 0.266 1.00 2.22 H new ATOM 0 HD13 LEU A 8 1.869 -3.761 1.530 1.00 2.22 H new ATOM 0 HD21 LEU A 8 2.483 -1.110 0.206 1.00 1.70 H new ATOM 0 HD22 LEU A 8 3.697 -2.182 0.943 1.00 1.70 H new ATOM 0 HD23 LEU A 8 3.897 -1.635 -0.739 1.00 1.70 H new ATOM 115 N VAL A 9 2.214 -7.428 -0.654 1.00 0.58 N ATOM 116 CA VAL A 9 1.368 -8.202 0.233 1.00 0.58 C ATOM 117 C VAL A 9 1.394 -7.494 1.586 1.00 0.53 C ATOM 118 O VAL A 9 2.472 -7.152 2.074 1.00 0.58 O ATOM 119 CB VAL A 9 1.866 -9.656 0.300 1.00 0.67 C ATOM 120 CG1 VAL A 9 1.208 -10.441 1.443 1.00 2.10 C ATOM 121 CG2 VAL A 9 1.536 -10.362 -1.022 1.00 1.61 C ATOM 0 H VAL A 9 3.144 -7.824 -0.787 1.00 0.58 H new ATOM 0 HA VAL A 9 0.339 -8.260 -0.121 1.00 0.58 H new ATOM 0 HB VAL A 9 2.941 -9.627 0.478 1.00 0.67 H new ATOM 0 HG11 VAL A 9 1.590 -11.462 1.451 1.00 2.10 H new ATOM 0 HG12 VAL A 9 1.438 -9.960 2.394 1.00 2.10 H new ATOM 0 HG13 VAL A 9 0.128 -10.459 1.297 1.00 2.10 H new ATOM 0 HG21 VAL A 9 1.886 -11.393 -0.981 1.00 1.61 H new ATOM 0 HG22 VAL A 9 0.458 -10.351 -1.181 1.00 1.61 H new ATOM 0 HG23 VAL A 9 2.029 -9.844 -1.844 1.00 1.61 H new ATOM 131 N VAL A 10 0.221 -7.260 2.174 1.00 0.58 N ATOM 132 CA VAL A 10 0.083 -6.841 3.562 1.00 0.51 C ATOM 133 C VAL A 10 -0.194 -8.110 4.363 1.00 0.51 C ATOM 134 O VAL A 10 -0.689 -9.089 3.807 1.00 1.09 O ATOM 135 CB VAL A 10 -1.076 -5.836 3.719 1.00 0.81 C ATOM 136 CG1 VAL A 10 -1.112 -5.202 5.117 1.00 2.00 C ATOM 137 CG2 VAL A 10 -0.997 -4.705 2.689 1.00 1.39 C ATOM 0 H VAL A 10 -0.671 -7.359 1.689 1.00 0.58 H new ATOM 0 HA VAL A 10 0.984 -6.338 3.913 1.00 0.51 H new ATOM 0 HB VAL A 10 -1.984 -6.418 3.560 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -1.945 -4.502 5.178 1.00 2.00 H new ATOM 0 HG12 VAL A 10 -1.238 -5.982 5.867 1.00 2.00 H new ATOM 0 HG13 VAL A 10 -0.178 -4.671 5.300 1.00 2.00 H new ATOM 0 HG21 VAL A 10 -1.832 -4.020 2.836 1.00 1.39 H new ATOM 0 HG22 VAL A 10 -0.059 -4.165 2.813 1.00 1.39 H new ATOM 0 HG23 VAL A 10 -1.044 -5.124 1.684 1.00 1.39 H new ATOM 147 N ARG A 11 0.089 -8.101 5.663 1.00 0.53 N ATOM 148 CA ARG A 11 -0.444 -9.107 6.564 1.00 0.62 C ATOM 149 C ARG A 11 -0.859 -8.416 7.862 1.00 0.59 C ATOM 150 O ARG A 11 -0.131 -7.565 8.378 1.00 0.73 O ATOM 151 CB ARG A 11 0.534 -10.280 6.731 1.00 0.83 C ATOM 152 CG ARG A 11 1.943 -9.841 7.133 1.00 1.40 C ATOM 153 CD ARG A 11 2.929 -11.013 7.073 1.00 1.44 C ATOM 154 NE ARG A 11 4.302 -10.576 7.375 1.00 2.74 N ATOM 155 CZ ARG A 11 5.165 -9.999 6.519 1.00 3.64 C ATOM 156 NH1 ARG A 11 4.820 -9.827 5.237 1.00 4.28 N ATOM 157 NH2 ARG A 11 6.358 -9.574 6.942 1.00 4.96 N ATOM 0 H ARG A 11 0.685 -7.406 6.112 1.00 0.53 H new ATOM 0 HA ARG A 11 -1.339 -9.573 6.151 1.00 0.62 H new ATOM 0 HB2 ARG A 11 0.145 -10.964 7.486 1.00 0.83 H new ATOM 0 HB3 ARG A 11 0.587 -10.836 5.795 1.00 0.83 H new ATOM 0 HG2 ARG A 11 2.281 -9.044 6.470 1.00 1.40 H new ATOM 0 HG3 ARG A 11 1.924 -9.430 8.142 1.00 1.40 H new ATOM 0 HD2 ARG A 11 2.626 -11.782 7.783 1.00 1.44 H new ATOM 0 HD3 ARG A 11 2.899 -11.465 6.082 1.00 1.44 H new ATOM 0 HE ARG A 11 4.632 -10.726 8.328 1.00 2.74 H new ATOM 0 HH11 ARG A 11 3.904 -10.133 4.910 1.00 4.28 H new ATOM 0 HH12 ARG A 11 5.473 -9.390 4.587 1.00 4.28 H new ATOM 0 HH21 ARG A 11 6.621 -9.686 7.921 1.00 4.96 H new ATOM 0 HH22 ARG A 11 7.006 -9.138 6.286 1.00 4.96 H new ATOM 171 N GLY A 12 -2.072 -8.744 8.323 1.00 0.75 N ATOM 172 CA GLY A 12 -2.742 -8.131 9.462 1.00 0.84 C ATOM 173 C GLY A 12 -4.022 -7.380 9.065 1.00 0.98 C ATOM 174 O GLY A 12 -4.603 -6.679 9.892 1.00 1.92 O ATOM 0 H GLY A 12 -2.633 -9.477 7.889 1.00 0.75 H new ATOM 0 HA2 GLY A 12 -2.990 -8.903 10.191 1.00 0.84 H new ATOM 0 HA3 GLY A 12 -2.057 -7.439 9.952 1.00 0.84 H new ATOM 178 N MET A 13 -4.501 -7.523 7.821 1.00 0.76 N ATOM 179 CA MET A 13 -5.841 -7.051 7.490 1.00 0.89 C ATOM 180 C MET A 13 -6.874 -7.825 8.316 1.00 1.29 C ATOM 181 O MET A 13 -6.654 -8.993 8.635 1.00 2.08 O ATOM 182 CB MET A 13 -6.160 -7.232 6.005 1.00 1.57 C ATOM 183 CG MET A 13 -5.216 -6.494 5.053 1.00 1.16 C ATOM 184 SD MET A 13 -5.914 -6.393 3.385 1.00 1.77 S ATOM 185 CE MET A 13 -4.436 -6.131 2.393 1.00 1.45 C ATOM 0 H MET A 13 -3.991 -7.951 7.049 1.00 0.76 H new ATOM 0 HA MET A 13 -5.881 -5.986 7.720 1.00 0.89 H new ATOM 0 HB2 MET A 13 -6.133 -8.296 5.769 1.00 1.57 H new ATOM 0 HB3 MET A 13 -7.179 -6.890 5.822 1.00 1.57 H new ATOM 0 HG2 MET A 13 -5.026 -5.490 5.432 1.00 1.16 H new ATOM 0 HG3 MET A 13 -4.256 -7.009 5.018 1.00 1.16 H new ATOM 0 HE1 MET A 13 -4.721 -5.944 1.358 1.00 1.45 H new ATOM 0 HE2 MET A 13 -3.886 -5.273 2.779 1.00 1.45 H new ATOM 0 HE3 MET A 13 -3.804 -7.018 2.441 1.00 1.45 H new ATOM 195 N THR A 14 -8.013 -7.204 8.630 1.00 1.18 N ATOM 196 CA THR A 14 -9.099 -7.881 9.320 1.00 1.73 C ATOM 197 C THR A 14 -10.434 -7.197 8.993 1.00 1.78 C ATOM 198 O THR A 14 -10.898 -6.325 9.714 1.00 3.18 O ATOM 199 CB THR A 14 -8.776 -8.042 10.822 1.00 2.09 C ATOM 200 OG1 THR A 14 -9.829 -8.700 11.498 1.00 2.91 O ATOM 201 CG2 THR A 14 -8.435 -6.738 11.552 1.00 2.17 C ATOM 0 H THR A 14 -8.202 -6.226 8.413 1.00 1.18 H new ATOM 0 HA THR A 14 -9.209 -8.904 8.959 1.00 1.73 H new ATOM 0 HB THR A 14 -7.870 -8.648 10.844 1.00 2.09 H new ATOM 0 HG1 THR A 14 -9.602 -8.792 12.447 1.00 2.91 H new ATOM 0 HG21 THR A 14 -8.223 -6.952 12.600 1.00 2.17 H new ATOM 0 HG22 THR A 14 -7.559 -6.281 11.091 1.00 2.17 H new ATOM 0 HG23 THR A 14 -9.280 -6.052 11.485 1.00 2.17 H new ATOM 209 N CYS A 15 -11.056 -7.624 7.888 1.00 1.07 N ATOM 210 CA CYS A 15 -12.454 -7.350 7.550 1.00 1.18 C ATOM 211 C CYS A 15 -12.686 -5.909 7.103 1.00 1.33 C ATOM 212 O CYS A 15 -12.945 -5.034 7.926 1.00 2.65 O ATOM 213 CB CYS A 15 -13.375 -7.695 8.721 1.00 1.74 C ATOM 214 SG CYS A 15 -15.070 -7.710 8.093 1.00 2.85 S ATOM 0 H CYS A 15 -10.583 -8.188 7.182 1.00 1.07 H new ATOM 0 HA CYS A 15 -12.696 -7.990 6.702 1.00 1.18 H new ATOM 0 HB2 CYS A 15 -13.113 -8.666 9.141 1.00 1.74 H new ATOM 0 HB3 CYS A 15 -13.269 -6.962 9.521 1.00 1.74 H new ATOM 0 HG CYS A 15 -15.888 -8.002 9.060 1.00 2.85 H new ATOM 220 N ALA A 16 -12.576 -5.643 5.796 1.00 0.83 N ATOM 221 CA ALA A 16 -12.591 -4.283 5.267 1.00 0.85 C ATOM 222 C ALA A 16 -11.636 -3.429 6.114 1.00 1.32 C ATOM 223 O ALA A 16 -10.494 -3.847 6.286 1.00 2.86 O ATOM 224 CB ALA A 16 -14.031 -3.756 5.195 1.00 0.86 C ATOM 0 H ALA A 16 -12.475 -6.364 5.082 1.00 0.83 H new ATOM 0 HA ALA A 16 -12.229 -4.244 4.240 1.00 0.85 H new ATOM 0 HB1 ALA A 16 -14.027 -2.741 4.799 1.00 0.86 H new ATOM 0 HB2 ALA A 16 -14.621 -4.398 4.542 1.00 0.86 H new ATOM 0 HB3 ALA A 16 -14.468 -3.754 6.194 1.00 0.86 H new ATOM 230 N SER A 17 -12.109 -2.317 6.695 1.00 0.71 N ATOM 231 CA SER A 17 -11.487 -1.566 7.789 1.00 0.63 C ATOM 232 C SER A 17 -10.006 -1.244 7.566 1.00 0.61 C ATOM 233 O SER A 17 -9.655 -0.151 7.129 1.00 0.74 O ATOM 234 CB SER A 17 -11.727 -2.285 9.118 1.00 0.90 C ATOM 235 OG SER A 17 -11.046 -3.520 9.159 1.00 1.14 O ATOM 0 H SER A 17 -12.988 -1.895 6.394 1.00 0.71 H new ATOM 0 HA SER A 17 -11.974 -0.591 7.819 1.00 0.63 H new ATOM 0 HB2 SER A 17 -11.392 -1.654 9.942 1.00 0.90 H new ATOM 0 HB3 SER A 17 -12.795 -2.451 9.257 1.00 0.90 H new ATOM 0 HG SER A 17 -11.572 -4.199 8.687 1.00 1.14 H new ATOM 241 N CYS A 18 -9.128 -2.203 7.849 1.00 0.69 N ATOM 242 CA CYS A 18 -7.726 -2.147 7.471 1.00 0.73 C ATOM 243 C CYS A 18 -7.602 -1.714 6.013 1.00 0.69 C ATOM 244 O CYS A 18 -6.792 -0.851 5.692 1.00 0.78 O ATOM 245 CB CYS A 18 -7.057 -3.507 7.695 1.00 0.95 C ATOM 246 SG CYS A 18 -7.059 -3.910 9.460 1.00 1.27 S ATOM 0 H CYS A 18 -9.379 -3.052 8.355 1.00 0.69 H new ATOM 0 HA CYS A 18 -7.216 -1.415 8.097 1.00 0.73 H new ATOM 0 HB2 CYS A 18 -7.586 -4.279 7.136 1.00 0.95 H new ATOM 0 HB3 CYS A 18 -6.034 -3.485 7.319 1.00 0.95 H new ATOM 0 HG CYS A 18 -5.965 -3.470 10.007 1.00 1.27 H new ATOM 252 N VAL A 19 -8.446 -2.284 5.152 1.00 0.69 N ATOM 253 CA VAL A 19 -8.529 -1.954 3.740 1.00 0.76 C ATOM 254 C VAL A 19 -8.600 -0.434 3.528 1.00 0.74 C ATOM 255 O VAL A 19 -7.616 0.194 3.131 1.00 0.83 O ATOM 256 CB VAL A 19 -9.715 -2.711 3.109 1.00 0.81 C ATOM 257 CG1 VAL A 19 -10.015 -2.259 1.677 1.00 0.88 C ATOM 258 CG2 VAL A 19 -9.424 -4.217 3.092 1.00 0.87 C ATOM 0 H VAL A 19 -9.107 -3.008 5.432 1.00 0.69 H new ATOM 0 HA VAL A 19 -7.621 -2.279 3.231 1.00 0.76 H new ATOM 0 HB VAL A 19 -10.587 -2.487 3.723 1.00 0.81 H new ATOM 0 HG11 VAL A 19 -10.859 -2.827 1.285 1.00 0.88 H new ATOM 0 HG12 VAL A 19 -10.260 -1.197 1.674 1.00 0.88 H new ATOM 0 HG13 VAL A 19 -9.140 -2.431 1.050 1.00 0.88 H new ATOM 0 HG21 VAL A 19 -10.266 -4.745 2.645 1.00 0.87 H new ATOM 0 HG22 VAL A 19 -8.524 -4.407 2.507 1.00 0.87 H new ATOM 0 HG23 VAL A 19 -9.274 -4.570 4.112 1.00 0.87 H new ATOM 268 N HIS A 20 -9.761 0.168 3.808 1.00 0.67 N ATOM 269 CA HIS A 20 -9.970 1.574 3.488 1.00 0.73 C ATOM 270 C HIS A 20 -9.088 2.479 4.344 1.00 0.68 C ATOM 271 O HIS A 20 -8.682 3.543 3.886 1.00 0.70 O ATOM 272 CB HIS A 20 -11.452 1.973 3.509 1.00 0.81 C ATOM 273 CG HIS A 20 -12.044 2.224 4.868 1.00 0.75 C ATOM 274 ND1 HIS A 20 -12.785 3.314 5.268 1.00 1.35 N ATOM 275 CD2 HIS A 20 -12.012 1.350 5.911 1.00 0.69 C ATOM 276 CE1 HIS A 20 -13.176 3.089 6.536 1.00 1.16 C ATOM 277 NE2 HIS A 20 -12.727 1.902 6.973 1.00 0.89 N ATOM 0 H HIS A 20 -10.557 -0.293 4.249 1.00 0.67 H new ATOM 0 HA HIS A 20 -9.652 1.720 2.456 1.00 0.73 H new ATOM 0 HB2 HIS A 20 -11.574 2.874 2.908 1.00 0.81 H new ATOM 0 HB3 HIS A 20 -12.028 1.185 3.023 1.00 0.81 H new ATOM 0 HD2 HIS A 20 -11.516 0.391 5.915 1.00 0.69 H new ATOM 0 HE1 HIS A 20 -13.771 3.772 7.123 1.00 1.16 H new ATOM 0 HE2 HIS A 20 -12.878 1.489 7.893 1.00 0.89 H new ATOM 285 N LYS A 21 -8.765 2.056 5.573 1.00 0.66 N ATOM 286 CA LYS A 21 -7.778 2.722 6.409 1.00 0.55 C ATOM 287 C LYS A 21 -6.480 2.907 5.610 1.00 0.48 C ATOM 288 O LYS A 21 -6.006 4.035 5.468 1.00 0.48 O ATOM 289 CB LYS A 21 -7.587 1.901 7.697 1.00 0.52 C ATOM 290 CG LYS A 21 -6.513 2.429 8.649 1.00 0.46 C ATOM 291 CD LYS A 21 -6.291 1.425 9.796 1.00 1.98 C ATOM 292 CE LYS A 21 -5.166 1.886 10.738 1.00 2.57 C ATOM 293 NZ LYS A 21 -4.695 0.807 11.638 1.00 4.24 N ATOM 0 H LYS A 21 -9.188 1.237 6.011 1.00 0.66 H new ATOM 0 HA LYS A 21 -8.111 3.717 6.704 1.00 0.55 H new ATOM 0 HB2 LYS A 21 -8.537 1.864 8.230 1.00 0.52 H new ATOM 0 HB3 LYS A 21 -7.336 0.877 7.423 1.00 0.52 H new ATOM 0 HG2 LYS A 21 -5.581 2.588 8.107 1.00 0.46 H new ATOM 0 HG3 LYS A 21 -6.816 3.395 9.053 1.00 0.46 H new ATOM 0 HD2 LYS A 21 -7.215 1.307 10.362 1.00 1.98 H new ATOM 0 HD3 LYS A 21 -6.043 0.447 9.383 1.00 1.98 H new ATOM 0 HE2 LYS A 21 -4.327 2.250 10.145 1.00 2.57 H new ATOM 0 HE3 LYS A 21 -5.520 2.725 11.337 1.00 2.57 H new ATOM 0 HZ1 LYS A 21 -3.795 1.089 12.077 1.00 4.24 H new ATOM 0 HZ2 LYS A 21 -5.405 0.639 12.380 1.00 4.24 H new ATOM 0 HZ3 LYS A 21 -4.554 -0.065 11.090 1.00 4.24 H new ATOM 307 N ILE A 22 -5.915 1.814 5.081 1.00 0.46 N ATOM 308 CA ILE A 22 -4.711 1.877 4.263 1.00 0.43 C ATOM 309 C ILE A 22 -4.964 2.788 3.058 1.00 0.40 C ATOM 310 O ILE A 22 -4.269 3.790 2.895 1.00 0.40 O ATOM 311 CB ILE A 22 -4.238 0.469 3.837 1.00 0.44 C ATOM 312 CG1 ILE A 22 -3.787 -0.360 5.050 1.00 0.48 C ATOM 313 CG2 ILE A 22 -3.058 0.581 2.861 1.00 0.49 C ATOM 314 CD1 ILE A 22 -3.767 -1.865 4.754 1.00 0.52 C ATOM 0 H ILE A 22 -6.281 0.871 5.210 1.00 0.46 H new ATOM 0 HA ILE A 22 -3.901 2.302 4.855 1.00 0.43 H new ATOM 0 HB ILE A 22 -5.082 -0.027 3.358 1.00 0.44 H new ATOM 0 HG12 ILE A 22 -2.791 -0.039 5.356 1.00 0.48 H new ATOM 0 HG13 ILE A 22 -4.456 -0.166 5.888 1.00 0.48 H new ATOM 0 HG21 ILE A 22 -2.733 -0.417 2.567 1.00 0.49 H new ATOM 0 HG22 ILE A 22 -3.369 1.136 1.976 1.00 0.49 H new ATOM 0 HG23 ILE A 22 -2.233 1.103 3.346 1.00 0.49 H new ATOM 0 HD11 ILE A 22 -3.442 -2.406 5.642 1.00 0.52 H new ATOM 0 HD12 ILE A 22 -4.768 -2.194 4.475 1.00 0.52 H new ATOM 0 HD13 ILE A 22 -3.077 -2.065 3.934 1.00 0.52 H new ATOM 326 N GLU A 23 -5.945 2.438 2.218 1.00 0.44 N ATOM 327 CA GLU A 23 -6.207 3.132 0.959 1.00 0.46 C ATOM 328 C GLU A 23 -6.291 4.645 1.170 1.00 0.46 C ATOM 329 O GLU A 23 -5.552 5.415 0.549 1.00 0.57 O ATOM 330 CB GLU A 23 -7.504 2.591 0.339 1.00 0.64 C ATOM 331 CG GLU A 23 -7.319 1.137 -0.112 1.00 1.12 C ATOM 332 CD GLU A 23 -8.610 0.439 -0.512 1.00 1.84 C ATOM 333 OE1 GLU A 23 -9.673 0.847 0.000 1.00 2.42 O ATOM 334 OE2 GLU A 23 -8.490 -0.528 -1.298 1.00 3.04 O ATOM 0 H GLU A 23 -6.581 1.661 2.397 1.00 0.44 H new ATOM 0 HA GLU A 23 -5.380 2.946 0.274 1.00 0.46 H new ATOM 0 HB2 GLU A 23 -8.314 2.652 1.066 1.00 0.64 H new ATOM 0 HB3 GLU A 23 -7.792 3.208 -0.512 1.00 0.64 H new ATOM 0 HG2 GLU A 23 -6.631 1.115 -0.957 1.00 1.12 H new ATOM 0 HG3 GLU A 23 -6.850 0.575 0.696 1.00 1.12 H new ATOM 341 N SER A 24 -7.188 5.043 2.075 1.00 0.49 N ATOM 342 CA SER A 24 -7.401 6.422 2.467 1.00 0.60 C ATOM 343 C SER A 24 -6.076 7.034 2.913 1.00 0.68 C ATOM 344 O SER A 24 -5.623 8.009 2.314 1.00 1.04 O ATOM 345 CB SER A 24 -8.472 6.486 3.567 1.00 0.71 C ATOM 346 OG SER A 24 -8.731 7.827 3.938 1.00 1.13 O ATOM 0 H SER A 24 -7.799 4.390 2.564 1.00 0.49 H new ATOM 0 HA SER A 24 -7.766 7.005 1.621 1.00 0.60 H new ATOM 0 HB2 SER A 24 -9.391 6.018 3.214 1.00 0.71 H new ATOM 0 HB3 SER A 24 -8.140 5.921 4.438 1.00 0.71 H new ATOM 0 HG SER A 24 -9.417 7.846 4.638 1.00 1.13 H new ATOM 352 N SER A 25 -5.447 6.460 3.948 1.00 0.50 N ATOM 353 CA SER A 25 -4.233 7.018 4.531 1.00 0.50 C ATOM 354 C SER A 25 -3.178 7.278 3.453 1.00 0.47 C ATOM 355 O SER A 25 -2.633 8.377 3.360 1.00 0.65 O ATOM 356 CB SER A 25 -3.696 6.095 5.629 1.00 0.51 C ATOM 357 OG SER A 25 -2.678 6.766 6.344 1.00 0.94 O ATOM 0 H SER A 25 -5.768 5.602 4.397 1.00 0.50 H new ATOM 0 HA SER A 25 -4.477 7.978 4.987 1.00 0.50 H new ATOM 0 HB2 SER A 25 -4.502 5.807 6.304 1.00 0.51 H new ATOM 0 HB3 SER A 25 -3.304 5.177 5.190 1.00 0.51 H new ATOM 0 HG SER A 25 -2.934 6.839 7.287 1.00 0.94 H new ATOM 363 N LEU A 26 -2.911 6.278 2.612 1.00 0.37 N ATOM 364 CA LEU A 26 -1.862 6.384 1.618 1.00 0.42 C ATOM 365 C LEU A 26 -2.162 7.458 0.580 1.00 0.53 C ATOM 366 O LEU A 26 -1.296 8.280 0.287 1.00 0.62 O ATOM 367 CB LEU A 26 -1.642 5.048 0.923 1.00 0.46 C ATOM 368 CG LEU A 26 -1.123 3.953 1.861 1.00 0.53 C ATOM 369 CD1 LEU A 26 -1.044 2.693 1.008 1.00 1.77 C ATOM 370 CD2 LEU A 26 0.253 4.284 2.452 1.00 1.52 C ATOM 0 H LEU A 26 -3.411 5.389 2.606 1.00 0.37 H new ATOM 0 HA LEU A 26 -0.953 6.672 2.147 1.00 0.42 H new ATOM 0 HB2 LEU A 26 -2.581 4.720 0.477 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -0.932 5.184 0.107 1.00 0.46 H new ATOM 0 HG LEU A 26 -1.788 3.840 2.718 1.00 0.53 H new ATOM 0 HD11 LEU A 26 -0.679 1.865 1.615 1.00 1.77 H new ATOM 0 HD12 LEU A 26 -2.035 2.451 0.623 1.00 1.77 H new ATOM 0 HD13 LEU A 26 -0.362 2.860 0.174 1.00 1.77 H new ATOM 0 HD21 LEU A 26 0.571 3.474 3.108 1.00 1.52 H new ATOM 0 HD22 LEU A 26 0.976 4.403 1.645 1.00 1.52 H new ATOM 0 HD23 LEU A 26 0.190 5.210 3.023 1.00 1.52 H new ATOM 382 N THR A 27 -3.357 7.468 -0.016 1.00 0.63 N ATOM 383 CA THR A 27 -3.586 8.414 -1.105 1.00 0.93 C ATOM 384 C THR A 27 -3.421 9.870 -0.633 1.00 1.04 C ATOM 385 O THR A 27 -3.006 10.732 -1.409 1.00 1.82 O ATOM 386 CB THR A 27 -4.868 8.083 -1.884 1.00 1.27 C ATOM 387 OG1 THR A 27 -4.845 8.713 -3.150 1.00 2.97 O ATOM 388 CG2 THR A 27 -6.149 8.460 -1.141 1.00 1.51 C ATOM 0 H THR A 27 -4.144 6.864 0.222 1.00 0.63 H new ATOM 0 HA THR A 27 -2.802 8.300 -1.854 1.00 0.93 H new ATOM 0 HB THR A 27 -4.883 6.999 -2.001 1.00 1.27 H new ATOM 0 HG1 THR A 27 -4.001 8.506 -3.603 1.00 2.97 H new ATOM 0 HG21 THR A 27 -7.014 8.198 -1.750 1.00 1.51 H new ATOM 0 HG22 THR A 27 -6.194 7.919 -0.196 1.00 1.51 H new ATOM 0 HG23 THR A 27 -6.154 9.532 -0.946 1.00 1.51 H new ATOM 396 N LYS A 28 -3.616 10.134 0.669 1.00 0.67 N ATOM 397 CA LYS A 28 -3.360 11.447 1.258 1.00 0.65 C ATOM 398 C LYS A 28 -1.930 11.952 1.012 1.00 0.55 C ATOM 399 O LYS A 28 -1.713 13.162 1.014 1.00 0.68 O ATOM 400 CB LYS A 28 -3.653 11.466 2.763 1.00 0.72 C ATOM 401 CG LYS A 28 -4.960 10.762 3.147 1.00 1.83 C ATOM 402 CD LYS A 28 -5.804 11.565 4.143 1.00 2.83 C ATOM 403 CE LYS A 28 -5.081 11.694 5.494 1.00 3.08 C ATOM 404 NZ LYS A 28 -5.880 12.451 6.478 1.00 4.19 N ATOM 0 H LYS A 28 -3.955 9.441 1.337 1.00 0.67 H new ATOM 0 HA LYS A 28 -4.046 12.124 0.749 1.00 0.65 H new ATOM 0 HB2 LYS A 28 -2.826 10.991 3.291 1.00 0.72 H new ATOM 0 HB3 LYS A 28 -3.695 12.501 3.103 1.00 0.72 H new ATOM 0 HG2 LYS A 28 -5.546 10.580 2.246 1.00 1.83 H new ATOM 0 HG3 LYS A 28 -4.728 9.788 3.578 1.00 1.83 H new ATOM 0 HD2 LYS A 28 -6.007 12.556 3.738 1.00 2.83 H new ATOM 0 HD3 LYS A 28 -6.768 11.076 4.287 1.00 2.83 H new ATOM 0 HE2 LYS A 28 -4.868 10.700 5.888 1.00 3.08 H new ATOM 0 HE3 LYS A 28 -4.122 12.191 5.346 1.00 3.08 H new ATOM 0 HZ1 LYS A 28 -5.357 12.515 7.375 1.00 4.19 H new ATOM 0 HZ2 LYS A 28 -6.062 13.408 6.114 1.00 4.19 H new ATOM 0 HZ3 LYS A 28 -6.785 11.964 6.639 1.00 4.19 H new ATOM 418 N HIS A 29 -0.953 11.060 0.802 1.00 0.48 N ATOM 419 CA HIS A 29 0.407 11.458 0.446 1.00 0.55 C ATOM 420 C HIS A 29 0.417 12.357 -0.800 1.00 0.81 C ATOM 421 O HIS A 29 1.357 13.125 -0.984 1.00 2.33 O ATOM 422 CB HIS A 29 1.276 10.228 0.127 1.00 0.65 C ATOM 423 CG HIS A 29 1.747 9.370 1.280 1.00 0.67 C ATOM 424 ND1 HIS A 29 3.020 8.851 1.405 1.00 1.61 N ATOM 425 CD2 HIS A 29 0.970 8.744 2.218 1.00 0.72 C ATOM 426 CE1 HIS A 29 3.001 7.942 2.395 1.00 1.43 C ATOM 427 NE2 HIS A 29 1.771 7.841 2.917 1.00 0.73 N ATOM 0 H HIS A 29 -1.085 10.051 0.874 1.00 0.48 H new ATOM 0 HA HIS A 29 0.806 11.997 1.305 1.00 0.55 H new ATOM 0 HB2 HIS A 29 0.714 9.590 -0.555 1.00 0.65 H new ATOM 0 HB3 HIS A 29 2.157 10.574 -0.413 1.00 0.65 H new ATOM 0 HD1 HIS A 29 3.832 9.111 0.845 1.00 1.61 H new ATOM 0 HD2 HIS A 29 -0.082 8.919 2.387 1.00 0.72 H new ATOM 0 HE1 HIS A 29 3.858 7.372 2.724 1.00 1.43 H new ATOM 435 N ARG A 30 -0.537 12.154 -1.720 1.00 1.10 N ATOM 436 CA ARG A 30 -0.515 12.630 -3.106 1.00 1.06 C ATOM 437 C ARG A 30 0.524 11.874 -3.954 1.00 1.13 C ATOM 438 O ARG A 30 0.589 12.046 -5.168 1.00 1.61 O ATOM 439 CB ARG A 30 -0.432 14.181 -3.163 1.00 1.17 C ATOM 440 CG ARG A 30 0.608 14.821 -4.103 1.00 2.56 C ATOM 441 CD ARG A 30 2.065 14.636 -3.643 1.00 4.03 C ATOM 442 NE ARG A 30 3.013 14.817 -4.756 1.00 5.80 N ATOM 443 CZ ARG A 30 3.517 15.986 -5.181 1.00 6.58 C ATOM 444 NH1 ARG A 30 3.124 17.127 -4.606 1.00 5.77 N ATOM 445 NH2 ARG A 30 4.405 16.010 -6.181 1.00 8.45 N ATOM 0 H ARG A 30 -1.384 11.628 -1.505 1.00 1.10 H new ATOM 0 HA ARG A 30 -1.465 12.388 -3.583 1.00 1.06 H new ATOM 0 HB2 ARG A 30 -1.415 14.557 -3.449 1.00 1.17 H new ATOM 0 HB3 ARG A 30 -0.234 14.541 -2.153 1.00 1.17 H new ATOM 0 HG2 ARG A 30 0.495 14.392 -5.099 1.00 2.56 H new ATOM 0 HG3 ARG A 30 0.397 15.887 -4.189 1.00 2.56 H new ATOM 0 HD2 ARG A 30 2.291 15.351 -2.852 1.00 4.03 H new ATOM 0 HD3 ARG A 30 2.189 13.640 -3.217 1.00 4.03 H new ATOM 0 HE ARG A 30 3.314 13.976 -5.249 1.00 5.80 H new ATOM 0 HH11 ARG A 30 2.443 17.107 -3.847 1.00 5.77 H new ATOM 0 HH12 ARG A 30 3.505 18.017 -4.926 1.00 5.77 H new ATOM 0 HH21 ARG A 30 4.700 15.139 -6.622 1.00 8.45 H new ATOM 0 HH22 ARG A 30 4.787 16.899 -6.503 1.00 8.45 H new ATOM 459 N GLY A 31 1.298 10.974 -3.340 1.00 0.93 N ATOM 460 CA GLY A 31 2.255 10.125 -4.026 1.00 1.13 C ATOM 461 C GLY A 31 1.565 8.891 -4.593 1.00 1.03 C ATOM 462 O GLY A 31 1.934 8.386 -5.649 1.00 1.14 O ATOM 0 H GLY A 31 1.270 10.818 -2.332 1.00 0.93 H new ATOM 0 HA2 GLY A 31 2.733 10.683 -4.831 1.00 1.13 H new ATOM 0 HA3 GLY A 31 3.043 9.823 -3.335 1.00 1.13 H new ATOM 466 N ILE A 32 0.575 8.391 -3.851 1.00 1.11 N ATOM 467 CA ILE A 32 -0.165 7.189 -4.160 1.00 1.12 C ATOM 468 C ILE A 32 -1.387 7.621 -4.960 1.00 1.23 C ATOM 469 O ILE A 32 -2.389 8.072 -4.401 1.00 1.80 O ATOM 470 CB ILE A 32 -0.489 6.431 -2.860 1.00 1.12 C ATOM 471 CG1 ILE A 32 0.809 5.905 -2.219 1.00 1.88 C ATOM 472 CG2 ILE A 32 -1.446 5.272 -3.159 1.00 2.26 C ATOM 473 CD1 ILE A 32 1.446 6.918 -1.257 1.00 2.90 C ATOM 0 H ILE A 32 0.263 8.837 -2.988 1.00 1.11 H new ATOM 0 HA ILE A 32 0.403 6.482 -4.765 1.00 1.12 H new ATOM 0 HB ILE A 32 -0.971 7.112 -2.159 1.00 1.12 H new ATOM 0 HG12 ILE A 32 0.595 4.982 -1.680 1.00 1.88 H new ATOM 0 HG13 ILE A 32 1.523 5.657 -3.004 1.00 1.88 H new ATOM 0 HG21 ILE A 32 -1.672 4.739 -2.235 1.00 2.26 H new ATOM 0 HG22 ILE A 32 -2.369 5.663 -3.587 1.00 2.26 H new ATOM 0 HG23 ILE A 32 -0.979 4.588 -3.868 1.00 2.26 H new ATOM 0 HD11 ILE A 32 2.357 6.495 -0.834 1.00 2.90 H new ATOM 0 HD12 ILE A 32 1.688 7.832 -1.799 1.00 2.90 H new ATOM 0 HD13 ILE A 32 0.746 7.147 -0.454 1.00 2.90 H new ATOM 485 N LEU A 33 -1.274 7.504 -6.281 1.00 0.84 N ATOM 486 CA LEU A 33 -2.262 8.010 -7.216 1.00 1.01 C ATOM 487 C LEU A 33 -3.442 7.057 -7.296 1.00 0.82 C ATOM 488 O LEU A 33 -4.545 7.487 -7.627 1.00 0.84 O ATOM 489 CB LEU A 33 -1.624 8.220 -8.598 1.00 1.27 C ATOM 490 CG LEU A 33 -0.323 9.042 -8.564 1.00 1.45 C ATOM 491 CD1 LEU A 33 0.207 9.213 -9.992 1.00 1.72 C ATOM 492 CD2 LEU A 33 -0.530 10.421 -7.925 1.00 2.13 C ATOM 0 H LEU A 33 -0.481 7.048 -6.733 1.00 0.84 H new ATOM 0 HA LEU A 33 -2.628 8.974 -6.863 1.00 1.01 H new ATOM 0 HB2 LEU A 33 -1.416 7.247 -9.043 1.00 1.27 H new ATOM 0 HB3 LEU A 33 -2.342 8.721 -9.247 1.00 1.27 H new ATOM 0 HG LEU A 33 0.399 8.500 -7.953 1.00 1.45 H new ATOM 0 HD11 LEU A 33 1.128 9.795 -9.971 1.00 1.72 H new ATOM 0 HD12 LEU A 33 0.406 8.233 -10.426 1.00 1.72 H new ATOM 0 HD13 LEU A 33 -0.537 9.733 -10.596 1.00 1.72 H new ATOM 0 HD21 LEU A 33 0.414 10.966 -7.922 1.00 2.13 H new ATOM 0 HD22 LEU A 33 -1.270 10.980 -8.498 1.00 2.13 H new ATOM 0 HD23 LEU A 33 -0.881 10.298 -6.900 1.00 2.13 H new ATOM 504 N TYR A 34 -3.236 5.777 -6.971 1.00 0.75 N ATOM 505 CA TYR A 34 -4.348 4.872 -6.797 1.00 0.79 C ATOM 506 C TYR A 34 -3.918 3.728 -5.886 1.00 0.71 C ATOM 507 O TYR A 34 -2.728 3.427 -5.791 1.00 0.71 O ATOM 508 CB TYR A 34 -4.888 4.398 -8.154 1.00 1.10 C ATOM 509 CG TYR A 34 -6.179 3.638 -8.017 1.00 1.08 C ATOM 510 CD1 TYR A 34 -7.285 4.276 -7.430 1.00 2.60 C ATOM 511 CD2 TYR A 34 -6.176 2.243 -8.178 1.00 1.61 C ATOM 512 CE1 TYR A 34 -8.313 3.509 -6.866 1.00 2.64 C ATOM 513 CE2 TYR A 34 -7.240 1.484 -7.674 1.00 1.80 C ATOM 514 CZ TYR A 34 -8.281 2.108 -6.964 1.00 1.45 C ATOM 515 OH TYR A 34 -9.240 1.359 -6.356 1.00 1.86 O ATOM 0 H TYR A 34 -2.317 5.359 -6.827 1.00 0.75 H new ATOM 0 HA TYR A 34 -5.179 5.386 -6.314 1.00 0.79 H new ATOM 0 HB2 TYR A 34 -5.043 5.260 -8.803 1.00 1.10 H new ATOM 0 HB3 TYR A 34 -4.145 3.764 -8.638 1.00 1.10 H new ATOM 0 HD1 TYR A 34 -7.342 5.354 -7.414 1.00 2.60 H new ATOM 0 HD2 TYR A 34 -5.357 1.758 -8.688 1.00 1.61 H new ATOM 0 HE1 TYR A 34 -9.131 3.995 -6.355 1.00 2.64 H new ATOM 0 HE2 TYR A 34 -7.261 0.416 -7.831 1.00 1.80 H new ATOM 0 HH TYR A 34 -8.994 0.412 -6.403 1.00 1.86 H new ATOM 525 N CYS A 35 -4.893 3.136 -5.201 1.00 0.74 N ATOM 526 CA CYS A 35 -4.739 2.172 -4.126 1.00 0.78 C ATOM 527 C CYS A 35 -5.941 1.232 -4.183 1.00 0.89 C ATOM 528 O CYS A 35 -7.069 1.668 -3.986 1.00 1.36 O ATOM 529 CB CYS A 35 -4.599 2.894 -2.776 1.00 0.76 C ATOM 530 SG CYS A 35 -5.907 4.117 -2.498 1.00 3.19 S ATOM 0 H CYS A 35 -5.874 3.333 -5.399 1.00 0.74 H new ATOM 0 HA CYS A 35 -3.828 1.584 -4.240 1.00 0.78 H new ATOM 0 HB2 CYS A 35 -4.618 2.159 -1.972 1.00 0.76 H new ATOM 0 HB3 CYS A 35 -3.629 3.389 -2.732 1.00 0.76 H new ATOM 0 HG CYS A 35 -5.682 4.748 -1.384 1.00 3.19 H new ATOM 536 N SER A 36 -5.699 -0.044 -4.505 1.00 0.70 N ATOM 537 CA SER A 36 -6.662 -1.124 -4.304 1.00 0.70 C ATOM 538 C SER A 36 -6.027 -2.130 -3.355 1.00 0.52 C ATOM 539 O SER A 36 -5.142 -2.883 -3.769 1.00 0.51 O ATOM 540 CB SER A 36 -7.045 -1.815 -5.619 1.00 0.92 C ATOM 541 OG SER A 36 -8.127 -1.151 -6.244 1.00 1.50 O ATOM 0 H SER A 36 -4.819 -0.355 -4.916 1.00 0.70 H new ATOM 0 HA SER A 36 -7.582 -0.710 -3.891 1.00 0.70 H new ATOM 0 HB2 SER A 36 -6.186 -1.830 -6.290 1.00 0.92 H new ATOM 0 HB3 SER A 36 -7.314 -2.853 -5.424 1.00 0.92 H new ATOM 0 HG SER A 36 -8.352 -1.608 -7.081 1.00 1.50 H new ATOM 547 N VAL A 37 -6.469 -2.137 -2.099 1.00 0.48 N ATOM 548 CA VAL A 37 -5.991 -3.029 -1.061 1.00 0.45 C ATOM 549 C VAL A 37 -6.940 -4.224 -1.004 1.00 0.52 C ATOM 550 O VAL A 37 -7.830 -4.328 -0.160 1.00 0.76 O ATOM 551 CB VAL A 37 -5.794 -2.237 0.244 1.00 0.56 C ATOM 552 CG1 VAL A 37 -5.172 -3.117 1.322 1.00 1.39 C ATOM 553 CG2 VAL A 37 -4.815 -1.077 0.017 1.00 2.04 C ATOM 0 H VAL A 37 -7.194 -1.498 -1.772 1.00 0.48 H new ATOM 0 HA VAL A 37 -5.004 -3.445 -1.264 1.00 0.45 H new ATOM 0 HB VAL A 37 -6.776 -1.878 0.553 1.00 0.56 H new ATOM 0 HG11 VAL A 37 -5.042 -2.536 2.235 1.00 1.39 H new ATOM 0 HG12 VAL A 37 -5.826 -3.966 1.521 1.00 1.39 H new ATOM 0 HG13 VAL A 37 -4.202 -3.479 0.981 1.00 1.39 H new ATOM 0 HG21 VAL A 37 -4.684 -0.524 0.947 1.00 2.04 H new ATOM 0 HG22 VAL A 37 -3.853 -1.472 -0.309 1.00 2.04 H new ATOM 0 HG23 VAL A 37 -5.212 -0.410 -0.748 1.00 2.04 H new ATOM 563 N ALA A 38 -6.754 -5.137 -1.960 1.00 0.60 N ATOM 564 CA ALA A 38 -7.654 -6.240 -2.185 1.00 0.72 C ATOM 565 C ALA A 38 -7.351 -7.327 -1.163 1.00 0.66 C ATOM 566 O ALA A 38 -6.568 -8.240 -1.422 1.00 0.69 O ATOM 567 CB ALA A 38 -7.513 -6.715 -3.631 1.00 0.88 C ATOM 0 H ALA A 38 -5.960 -5.119 -2.601 1.00 0.60 H new ATOM 0 HA ALA A 38 -8.695 -5.945 -2.050 1.00 0.72 H new ATOM 0 HB1 ALA A 38 -8.191 -7.550 -3.808 1.00 0.88 H new ATOM 0 HB2 ALA A 38 -7.760 -5.897 -4.308 1.00 0.88 H new ATOM 0 HB3 ALA A 38 -6.487 -7.037 -3.810 1.00 0.88 H new ATOM 573 N LEU A 39 -8.015 -7.228 -0.008 1.00 0.65 N ATOM 574 CA LEU A 39 -8.029 -8.221 1.064 1.00 0.67 C ATOM 575 C LEU A 39 -8.065 -9.654 0.531 1.00 0.68 C ATOM 576 O LEU A 39 -7.358 -10.519 1.049 1.00 0.68 O ATOM 577 CB LEU A 39 -9.207 -7.912 2.002 1.00 0.82 C ATOM 578 CG LEU A 39 -9.232 -8.743 3.299 1.00 0.95 C ATOM 579 CD1 LEU A 39 -9.907 -7.932 4.411 1.00 1.77 C ATOM 580 CD2 LEU A 39 -10.006 -10.060 3.143 1.00 1.55 C ATOM 0 H LEU A 39 -8.585 -6.412 0.213 1.00 0.65 H new ATOM 0 HA LEU A 39 -7.098 -8.154 1.627 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -9.177 -6.855 2.265 1.00 0.82 H new ATOM 0 HB3 LEU A 39 -10.138 -8.080 1.461 1.00 0.82 H new ATOM 0 HG LEU A 39 -8.196 -8.978 3.542 1.00 0.95 H new ATOM 0 HD11 LEU A 39 -9.925 -8.519 5.329 1.00 1.77 H new ATOM 0 HD12 LEU A 39 -9.349 -7.011 4.580 1.00 1.77 H new ATOM 0 HD13 LEU A 39 -10.928 -7.689 4.116 1.00 1.77 H new ATOM 0 HD21 LEU A 39 -9.991 -10.605 4.087 1.00 1.55 H new ATOM 0 HD22 LEU A 39 -11.038 -9.845 2.864 1.00 1.55 H new ATOM 0 HD23 LEU A 39 -9.539 -10.667 2.367 1.00 1.55 H new ATOM 592 N ALA A 40 -8.837 -9.892 -0.534 1.00 0.74 N ATOM 593 CA ALA A 40 -9.003 -11.202 -1.158 1.00 0.82 C ATOM 594 C ALA A 40 -7.660 -11.831 -1.543 1.00 0.80 C ATOM 595 O ALA A 40 -7.488 -13.042 -1.451 1.00 0.89 O ATOM 596 CB ALA A 40 -9.891 -11.055 -2.396 1.00 0.95 C ATOM 0 H ALA A 40 -9.376 -9.159 -0.995 1.00 0.74 H new ATOM 0 HA ALA A 40 -9.472 -11.868 -0.434 1.00 0.82 H new ATOM 0 HB1 ALA A 40 -10.020 -12.029 -2.869 1.00 0.95 H new ATOM 0 HB2 ALA A 40 -10.864 -10.662 -2.101 1.00 0.95 H new ATOM 0 HB3 ALA A 40 -9.422 -10.369 -3.101 1.00 0.95 H new ATOM 602 N THR A 41 -6.719 -10.995 -1.984 1.00 0.74 N ATOM 603 CA THR A 41 -5.363 -11.368 -2.366 1.00 0.76 C ATOM 604 C THR A 41 -4.357 -10.789 -1.359 1.00 0.69 C ATOM 605 O THR A 41 -3.158 -10.790 -1.630 1.00 0.77 O ATOM 606 CB THR A 41 -5.130 -10.907 -3.821 1.00 0.87 C ATOM 607 OG1 THR A 41 -3.792 -11.077 -4.246 1.00 1.14 O ATOM 608 CG2 THR A 41 -5.567 -9.468 -4.091 1.00 1.56 C ATOM 0 H THR A 41 -6.893 -9.995 -2.088 1.00 0.74 H new ATOM 0 HA THR A 41 -5.218 -12.448 -2.337 1.00 0.76 H new ATOM 0 HB THR A 41 -5.771 -11.566 -4.407 1.00 0.87 H new ATOM 0 HG1 THR A 41 -3.205 -11.138 -3.463 1.00 1.14 H new ATOM 0 HG21 THR A 41 -5.371 -9.218 -5.134 1.00 1.56 H new ATOM 0 HG22 THR A 41 -6.633 -9.367 -3.887 1.00 1.56 H new ATOM 0 HG23 THR A 41 -5.009 -8.791 -3.445 1.00 1.56 H new ATOM 616 N ASN A 42 -4.852 -10.280 -0.222 1.00 0.62 N ATOM 617 CA ASN A 42 -4.153 -9.510 0.803 1.00 0.63 C ATOM 618 C ASN A 42 -3.029 -8.633 0.244 1.00 0.60 C ATOM 619 O ASN A 42 -1.967 -8.503 0.850 1.00 0.72 O ATOM 620 CB ASN A 42 -3.740 -10.418 1.980 1.00 0.77 C ATOM 621 CG ASN A 42 -4.422 -9.988 3.276 1.00 1.03 C ATOM 622 OD1 ASN A 42 -3.786 -9.517 4.215 1.00 2.43 O ATOM 623 ND2 ASN A 42 -5.741 -10.141 3.340 1.00 1.75 N ATOM 0 H ASN A 42 -5.834 -10.410 0.019 1.00 0.62 H new ATOM 0 HA ASN A 42 -4.854 -8.782 1.211 1.00 0.63 H new ATOM 0 HB2 ASN A 42 -4.002 -11.452 1.754 1.00 0.77 H new ATOM 0 HB3 ASN A 42 -2.658 -10.383 2.107 1.00 0.77 H new ATOM 0 HD21 ASN A 42 -6.246 -9.865 4.182 1.00 1.75 H new ATOM 0 HD22 ASN A 42 -6.248 -10.535 2.547 1.00 1.75 H new ATOM 630 N LYS A 43 -3.287 -7.992 -0.901 1.00 0.55 N ATOM 631 CA LYS A 43 -2.305 -7.195 -1.622 1.00 0.55 C ATOM 632 C LYS A 43 -2.827 -5.779 -1.787 1.00 0.50 C ATOM 633 O LYS A 43 -4.031 -5.575 -1.936 1.00 0.52 O ATOM 634 CB LYS A 43 -1.908 -7.882 -2.947 1.00 0.62 C ATOM 635 CG LYS A 43 -1.538 -6.966 -4.133 1.00 0.71 C ATOM 636 CD LYS A 43 -2.772 -6.501 -4.927 1.00 0.85 C ATOM 637 CE LYS A 43 -3.262 -7.548 -5.932 1.00 0.86 C ATOM 638 NZ LYS A 43 -2.360 -7.729 -7.089 1.00 1.15 N ATOM 0 H LYS A 43 -4.200 -8.017 -1.355 1.00 0.55 H new ATOM 0 HA LYS A 43 -1.380 -7.123 -1.049 1.00 0.55 H new ATOM 0 HB2 LYS A 43 -1.059 -8.536 -2.747 1.00 0.62 H new ATOM 0 HB3 LYS A 43 -2.735 -8.520 -3.258 1.00 0.62 H new ATOM 0 HG2 LYS A 43 -1.000 -6.094 -3.760 1.00 0.71 H new ATOM 0 HG3 LYS A 43 -0.860 -7.498 -4.800 1.00 0.71 H new ATOM 0 HD2 LYS A 43 -3.578 -6.267 -4.232 1.00 0.85 H new ATOM 0 HD3 LYS A 43 -2.531 -5.580 -5.458 1.00 0.85 H new ATOM 0 HE2 LYS A 43 -3.378 -8.503 -5.420 1.00 0.86 H new ATOM 0 HE3 LYS A 43 -4.249 -7.258 -6.294 1.00 0.86 H new ATOM 0 HZ1 LYS A 43 -2.699 -8.520 -7.673 1.00 1.15 H new ATOM 0 HZ2 LYS A 43 -2.347 -6.859 -7.658 1.00 1.15 H new ATOM 0 HZ3 LYS A 43 -1.399 -7.936 -6.751 1.00 1.15 H new ATOM 652 N ALA A 44 -1.902 -4.820 -1.793 1.00 0.50 N ATOM 653 CA ALA A 44 -2.151 -3.440 -2.139 1.00 0.48 C ATOM 654 C ALA A 44 -1.548 -3.243 -3.510 1.00 0.51 C ATOM 655 O ALA A 44 -0.331 -3.311 -3.633 1.00 0.54 O ATOM 656 CB ALA A 44 -1.511 -2.513 -1.106 1.00 0.48 C ATOM 0 H ALA A 44 -0.928 -4.999 -1.547 1.00 0.50 H new ATOM 0 HA ALA A 44 -3.215 -3.205 -2.147 1.00 0.48 H new ATOM 0 HB1 ALA A 44 -1.706 -1.476 -1.378 1.00 0.48 H new ATOM 0 HB2 ALA A 44 -1.935 -2.716 -0.123 1.00 0.48 H new ATOM 0 HB3 ALA A 44 -0.435 -2.685 -1.080 1.00 0.48 H new ATOM 662 N HIS A 45 -2.388 -3.038 -4.524 1.00 0.53 N ATOM 663 CA HIS A 45 -1.962 -2.494 -5.793 1.00 0.55 C ATOM 664 C HIS A 45 -1.921 -0.993 -5.594 1.00 0.53 C ATOM 665 O HIS A 45 -2.958 -0.377 -5.349 1.00 0.60 O ATOM 666 CB HIS A 45 -2.948 -2.894 -6.887 1.00 0.62 C ATOM 667 CG HIS A 45 -2.429 -2.540 -8.244 1.00 0.64 C ATOM 668 ND1 HIS A 45 -1.816 -3.402 -9.116 1.00 0.67 N ATOM 669 CD2 HIS A 45 -2.289 -1.273 -8.733 1.00 0.77 C ATOM 670 CE1 HIS A 45 -1.372 -2.671 -10.148 1.00 0.74 C ATOM 671 NE2 HIS A 45 -1.633 -1.359 -9.969 1.00 0.78 N ATOM 0 H HIS A 45 -3.385 -3.249 -4.478 1.00 0.53 H new ATOM 0 HA HIS A 45 -0.988 -2.870 -6.105 1.00 0.55 H new ATOM 0 HB2 HIS A 45 -3.136 -3.967 -6.836 1.00 0.62 H new ATOM 0 HB3 HIS A 45 -3.902 -2.395 -6.719 1.00 0.62 H new ATOM 0 HD1 HIS A 45 -1.716 -4.411 -9.001 1.00 0.67 H new ATOM 0 HD2 HIS A 45 -2.624 -0.366 -8.253 1.00 0.77 H new ATOM 0 HE1 HIS A 45 -0.870 -3.080 -11.012 1.00 0.74 H new ATOM 679 N ILE A 46 -0.715 -0.438 -5.666 1.00 0.66 N ATOM 680 CA ILE A 46 -0.422 0.942 -5.376 1.00 0.49 C ATOM 681 C ILE A 46 0.204 1.546 -6.619 1.00 0.57 C ATOM 682 O ILE A 46 1.349 1.265 -6.978 1.00 0.90 O ATOM 683 CB ILE A 46 0.502 1.040 -4.160 1.00 0.50 C ATOM 684 CG1 ILE A 46 -0.123 0.240 -3.009 1.00 0.93 C ATOM 685 CG2 ILE A 46 0.669 2.511 -3.768 1.00 0.78 C ATOM 686 CD1 ILE A 46 0.583 0.524 -1.696 1.00 0.88 C ATOM 0 H ILE A 46 0.112 -0.968 -5.940 1.00 0.66 H new ATOM 0 HA ILE A 46 -1.327 1.494 -5.124 1.00 0.49 H new ATOM 0 HB ILE A 46 1.486 0.631 -4.390 1.00 0.50 H new ATOM 0 HG12 ILE A 46 -1.179 0.493 -2.919 1.00 0.93 H new ATOM 0 HG13 ILE A 46 -0.068 -0.826 -3.231 1.00 0.93 H new ATOM 0 HG21 ILE A 46 1.327 2.584 -2.902 1.00 0.78 H new ATOM 0 HG22 ILE A 46 1.104 3.063 -4.602 1.00 0.78 H new ATOM 0 HG23 ILE A 46 -0.305 2.935 -3.521 1.00 0.78 H new ATOM 0 HD11 ILE A 46 0.118 -0.057 -0.900 1.00 0.88 H new ATOM 0 HD12 ILE A 46 1.634 0.247 -1.781 1.00 0.88 H new ATOM 0 HD13 ILE A 46 0.505 1.586 -1.463 1.00 0.88 H new ATOM 698 N LYS A 47 -0.555 2.411 -7.272 1.00 0.63 N ATOM 699 CA LYS A 47 -0.048 3.254 -8.330 1.00 0.78 C ATOM 700 C LYS A 47 0.678 4.421 -7.658 1.00 0.54 C ATOM 701 O LYS A 47 0.176 5.543 -7.601 1.00 0.84 O ATOM 702 CB LYS A 47 -1.238 3.668 -9.188 1.00 1.10 C ATOM 703 CG LYS A 47 -1.674 2.539 -10.132 1.00 1.23 C ATOM 704 CD LYS A 47 -0.846 2.595 -11.425 1.00 1.20 C ATOM 705 CE LYS A 47 -1.293 1.544 -12.449 1.00 1.53 C ATOM 706 NZ LYS A 47 -0.877 0.179 -12.075 1.00 2.86 N ATOM 0 H LYS A 47 -1.547 2.545 -7.077 1.00 0.63 H new ATOM 0 HA LYS A 47 0.666 2.764 -8.992 1.00 0.78 H new ATOM 0 HB2 LYS A 47 -2.072 3.947 -8.544 1.00 1.10 H new ATOM 0 HB3 LYS A 47 -0.977 4.551 -9.772 1.00 1.10 H new ATOM 0 HG2 LYS A 47 -1.540 1.573 -9.645 1.00 1.23 H new ATOM 0 HG3 LYS A 47 -2.735 2.635 -10.364 1.00 1.23 H new ATOM 0 HD2 LYS A 47 -0.932 3.588 -11.866 1.00 1.20 H new ATOM 0 HD3 LYS A 47 0.207 2.442 -11.187 1.00 1.20 H new ATOM 0 HE2 LYS A 47 -2.378 1.576 -12.547 1.00 1.53 H new ATOM 0 HE3 LYS A 47 -0.877 1.793 -13.425 1.00 1.53 H new ATOM 0 HZ1 LYS A 47 -1.203 -0.494 -12.798 1.00 2.86 H new ATOM 0 HZ2 LYS A 47 0.160 0.139 -12.007 1.00 2.86 H new ATOM 0 HZ3 LYS A 47 -1.295 -0.072 -11.156 1.00 2.86 H new ATOM 720 N TYR A 48 1.845 4.108 -7.093 1.00 1.02 N ATOM 721 CA TYR A 48 2.804 5.084 -6.597 1.00 0.98 C ATOM 722 C TYR A 48 3.649 5.577 -7.770 1.00 0.90 C ATOM 723 O TYR A 48 3.529 5.024 -8.862 1.00 1.25 O ATOM 724 CB TYR A 48 3.661 4.460 -5.480 1.00 1.14 C ATOM 725 CG TYR A 48 4.971 3.782 -5.873 1.00 1.08 C ATOM 726 CD1 TYR A 48 5.070 2.968 -7.019 1.00 2.65 C ATOM 727 CD2 TYR A 48 6.130 4.041 -5.116 1.00 1.76 C ATOM 728 CE1 TYR A 48 6.325 2.497 -7.444 1.00 2.88 C ATOM 729 CE2 TYR A 48 7.377 3.550 -5.530 1.00 1.73 C ATOM 730 CZ TYR A 48 7.473 2.758 -6.681 1.00 1.51 C ATOM 731 OH TYR A 48 8.692 2.291 -7.074 1.00 1.85 O ATOM 0 H TYR A 48 2.153 3.144 -6.967 1.00 1.02 H new ATOM 0 HA TYR A 48 2.291 5.941 -6.161 1.00 0.98 H new ATOM 0 HB2 TYR A 48 3.894 5.245 -4.761 1.00 1.14 H new ATOM 0 HB3 TYR A 48 3.047 3.724 -4.961 1.00 1.14 H new ATOM 0 HD1 TYR A 48 4.180 2.705 -7.572 1.00 2.65 H new ATOM 0 HD2 TYR A 48 6.058 4.623 -4.209 1.00 1.76 H new ATOM 0 HE1 TYR A 48 6.405 1.932 -8.361 1.00 2.88 H new ATOM 0 HE2 TYR A 48 8.264 3.783 -4.960 1.00 1.73 H new ATOM 0 HH TYR A 48 9.373 2.568 -6.426 1.00 1.85 H new ATOM 741 N ASP A 49 4.548 6.539 -7.545 1.00 1.01 N ATOM 742 CA ASP A 49 5.643 6.761 -8.480 1.00 1.20 C ATOM 743 C ASP A 49 6.902 7.207 -7.725 1.00 0.85 C ATOM 744 O ASP A 49 6.805 8.089 -6.863 1.00 0.80 O ATOM 745 CB ASP A 49 5.214 7.723 -9.597 1.00 1.66 C ATOM 746 CG ASP A 49 6.153 7.597 -10.783 1.00 2.64 C ATOM 747 OD1 ASP A 49 7.326 7.980 -10.595 1.00 3.51 O ATOM 748 OD2 ASP A 49 5.702 7.054 -11.820 1.00 3.66 O ATOM 0 H ASP A 49 4.537 7.163 -6.738 1.00 1.01 H new ATOM 0 HA ASP A 49 5.900 5.826 -8.977 1.00 1.20 H new ATOM 0 HB2 ASP A 49 4.193 7.501 -9.907 1.00 1.66 H new ATOM 0 HB3 ASP A 49 5.219 8.748 -9.227 1.00 1.66 H new ATOM 753 N PRO A 50 8.067 6.575 -7.975 1.00 0.80 N ATOM 754 CA PRO A 50 9.276 6.792 -7.196 1.00 0.75 C ATOM 755 C PRO A 50 9.657 8.265 -7.056 1.00 0.85 C ATOM 756 O PRO A 50 10.162 8.653 -6.004 1.00 1.72 O ATOM 757 CB PRO A 50 10.383 5.955 -7.851 1.00 0.90 C ATOM 758 CG PRO A 50 9.833 5.625 -9.235 1.00 0.87 C ATOM 759 CD PRO A 50 8.330 5.562 -8.991 1.00 0.99 C ATOM 0 HA PRO A 50 9.111 6.473 -6.167 1.00 0.75 H new ATOM 0 HB2 PRO A 50 11.318 6.512 -7.916 1.00 0.90 H new ATOM 0 HB3 PRO A 50 10.590 5.051 -7.279 1.00 0.90 H new ATOM 0 HG2 PRO A 50 10.093 6.390 -9.967 1.00 0.87 H new ATOM 0 HG3 PRO A 50 10.222 4.679 -9.611 1.00 0.87 H new ATOM 0 HD2 PRO A 50 7.773 5.767 -9.905 1.00 0.99 H new ATOM 0 HD3 PRO A 50 8.027 4.572 -8.649 1.00 0.99 H new ATOM 767 N GLU A 51 9.422 9.098 -8.078 1.00 1.01 N ATOM 768 CA GLU A 51 9.818 10.498 -7.988 1.00 1.15 C ATOM 769 C GLU A 51 9.038 11.274 -6.919 1.00 1.15 C ATOM 770 O GLU A 51 9.524 12.310 -6.464 1.00 1.45 O ATOM 771 CB GLU A 51 9.745 11.197 -9.352 1.00 1.39 C ATOM 772 CG GLU A 51 8.370 11.106 -10.024 1.00 1.94 C ATOM 773 CD GLU A 51 8.118 12.318 -10.914 1.00 3.35 C ATOM 774 OE1 GLU A 51 8.921 12.510 -11.851 1.00 3.73 O ATOM 775 OE2 GLU A 51 7.154 13.056 -10.612 1.00 4.69 O ATOM 0 H GLU A 51 8.971 8.831 -8.953 1.00 1.01 H new ATOM 0 HA GLU A 51 10.860 10.497 -7.668 1.00 1.15 H new ATOM 0 HB2 GLU A 51 10.008 12.247 -9.226 1.00 1.39 H new ATOM 0 HB3 GLU A 51 10.492 10.759 -10.014 1.00 1.39 H new ATOM 0 HG2 GLU A 51 8.311 10.195 -10.619 1.00 1.94 H new ATOM 0 HG3 GLU A 51 7.592 11.041 -9.263 1.00 1.94 H new ATOM 782 N ILE A 52 7.842 10.816 -6.523 1.00 1.20 N ATOM 783 CA ILE A 52 6.996 11.534 -5.582 1.00 1.39 C ATOM 784 C ILE A 52 6.918 10.785 -4.255 1.00 1.33 C ATOM 785 O ILE A 52 6.624 11.410 -3.237 1.00 1.57 O ATOM 786 CB ILE A 52 5.617 11.853 -6.202 1.00 1.59 C ATOM 787 CG1 ILE A 52 4.933 10.615 -6.808 1.00 2.37 C ATOM 788 CG2 ILE A 52 5.790 12.950 -7.261 1.00 1.65 C ATOM 789 CD1 ILE A 52 3.593 10.929 -7.483 1.00 2.90 C ATOM 0 H ILE A 52 7.441 9.937 -6.851 1.00 1.20 H new ATOM 0 HA ILE A 52 7.446 12.502 -5.360 1.00 1.39 H new ATOM 0 HB ILE A 52 4.961 12.199 -5.403 1.00 1.59 H new ATOM 0 HG12 ILE A 52 5.602 10.161 -7.539 1.00 2.37 H new ATOM 0 HG13 ILE A 52 4.771 9.877 -6.022 1.00 2.37 H new ATOM 0 HG21 ILE A 52 4.822 13.183 -7.705 1.00 1.65 H new ATOM 0 HG22 ILE A 52 6.200 13.845 -6.794 1.00 1.65 H new ATOM 0 HG23 ILE A 52 6.471 12.602 -8.037 1.00 1.65 H new ATOM 0 HD11 ILE A 52 3.166 10.012 -7.888 1.00 2.90 H new ATOM 0 HD12 ILE A 52 2.908 11.355 -6.750 1.00 2.90 H new ATOM 0 HD13 ILE A 52 3.751 11.643 -8.291 1.00 2.90 H new ATOM 801 N ILE A 53 7.179 9.472 -4.240 1.00 1.19 N ATOM 802 CA ILE A 53 7.127 8.681 -3.022 1.00 1.18 C ATOM 803 C ILE A 53 7.885 7.375 -3.274 1.00 1.59 C ATOM 804 O ILE A 53 7.652 6.732 -4.295 1.00 3.01 O ATOM 805 CB ILE A 53 5.641 8.490 -2.668 1.00 0.92 C ATOM 806 CG1 ILE A 53 5.354 8.353 -1.178 1.00 1.06 C ATOM 807 CG2 ILE A 53 4.939 7.396 -3.478 1.00 1.18 C ATOM 808 CD1 ILE A 53 5.981 7.145 -0.501 1.00 2.82 C ATOM 0 H ILE A 53 7.430 8.938 -5.072 1.00 1.19 H new ATOM 0 HA ILE A 53 7.607 9.159 -2.168 1.00 1.18 H new ATOM 0 HB ILE A 53 5.197 9.438 -2.973 1.00 0.92 H new ATOM 0 HG12 ILE A 53 5.705 9.253 -0.674 1.00 1.06 H new ATOM 0 HG13 ILE A 53 4.274 8.308 -1.036 1.00 1.06 H new ATOM 0 HG21 ILE A 53 3.897 7.326 -3.168 1.00 1.18 H new ATOM 0 HG22 ILE A 53 4.986 7.642 -4.539 1.00 1.18 H new ATOM 0 HG23 ILE A 53 5.434 6.441 -3.305 1.00 1.18 H new ATOM 0 HD11 ILE A 53 5.715 7.142 0.556 1.00 2.82 H new ATOM 0 HD12 ILE A 53 5.613 6.233 -0.971 1.00 2.82 H new ATOM 0 HD13 ILE A 53 7.065 7.193 -0.602 1.00 2.82 H new ATOM 820 N GLY A 54 8.811 6.983 -2.396 1.00 1.03 N ATOM 821 CA GLY A 54 9.562 5.749 -2.563 1.00 1.09 C ATOM 822 C GLY A 54 8.774 4.550 -2.024 1.00 1.10 C ATOM 823 O GLY A 54 7.721 4.704 -1.400 1.00 1.19 O ATOM 0 H GLY A 54 9.056 7.511 -1.558 1.00 1.03 H new ATOM 0 HA2 GLY A 54 9.787 5.596 -3.618 1.00 1.09 H new ATOM 0 HA3 GLY A 54 10.516 5.826 -2.041 1.00 1.09 H new ATOM 827 N PRO A 55 9.251 3.324 -2.283 1.00 1.08 N ATOM 828 CA PRO A 55 8.535 2.123 -1.903 1.00 1.16 C ATOM 829 C PRO A 55 8.551 1.942 -0.384 1.00 1.23 C ATOM 830 O PRO A 55 7.497 1.838 0.243 1.00 1.08 O ATOM 831 CB PRO A 55 9.227 0.981 -2.655 1.00 1.21 C ATOM 832 CG PRO A 55 10.647 1.496 -2.905 1.00 1.13 C ATOM 833 CD PRO A 55 10.470 3.013 -3.012 1.00 1.04 C ATOM 0 HA PRO A 55 7.478 2.161 -2.168 1.00 1.16 H new ATOM 0 HB2 PRO A 55 9.235 0.064 -2.066 1.00 1.21 H new ATOM 0 HB3 PRO A 55 8.716 0.754 -3.591 1.00 1.21 H new ATOM 0 HG2 PRO A 55 11.319 1.228 -2.090 1.00 1.13 H new ATOM 0 HG3 PRO A 55 11.070 1.077 -3.818 1.00 1.13 H new ATOM 0 HD2 PRO A 55 11.325 3.537 -2.585 1.00 1.04 H new ATOM 0 HD3 PRO A 55 10.393 3.325 -4.054 1.00 1.04 H new ATOM 841 N ARG A 56 9.742 1.886 0.223 1.00 1.51 N ATOM 842 CA ARG A 56 9.869 1.567 1.639 1.00 1.79 C ATOM 843 C ARG A 56 9.175 2.610 2.520 1.00 1.56 C ATOM 844 O ARG A 56 8.732 2.280 3.614 1.00 1.45 O ATOM 845 CB ARG A 56 11.334 1.291 2.022 1.00 2.53 C ATOM 846 CG ARG A 56 11.538 0.855 3.487 1.00 3.23 C ATOM 847 CD ARG A 56 10.864 -0.475 3.879 1.00 5.05 C ATOM 848 NE ARG A 56 10.808 -0.659 5.343 1.00 6.08 N ATOM 849 CZ ARG A 56 9.953 -1.477 5.985 1.00 7.67 C ATOM 850 NH1 ARG A 56 9.198 -2.353 5.328 1.00 8.61 N ATOM 851 NH2 ARG A 56 9.811 -1.418 7.306 1.00 8.73 N ATOM 0 H ARG A 56 10.629 2.059 -0.250 1.00 1.51 H new ATOM 0 HA ARG A 56 9.337 0.635 1.830 1.00 1.79 H new ATOM 0 HB2 ARG A 56 11.728 0.515 1.366 1.00 2.53 H new ATOM 0 HB3 ARG A 56 11.921 2.191 1.839 1.00 2.53 H new ATOM 0 HG2 ARG A 56 12.608 0.771 3.678 1.00 3.23 H new ATOM 0 HG3 ARG A 56 11.158 1.642 4.139 1.00 3.23 H new ATOM 0 HD2 ARG A 56 9.853 -0.503 3.472 1.00 5.05 H new ATOM 0 HD3 ARG A 56 11.411 -1.304 3.431 1.00 5.05 H new ATOM 0 HE ARG A 56 11.467 -0.126 5.911 1.00 6.08 H new ATOM 0 HH11 ARG A 56 9.258 -2.417 4.312 1.00 8.61 H new ATOM 0 HH12 ARG A 56 8.559 -2.961 5.840 1.00 8.61 H new ATOM 0 HH21 ARG A 56 10.354 -0.746 7.848 1.00 8.73 H new ATOM 0 HH22 ARG A 56 9.159 -2.045 7.777 1.00 8.73 H new ATOM 865 N ASP A 57 9.050 3.849 2.051 1.00 1.58 N ATOM 866 CA ASP A 57 8.308 4.914 2.701 1.00 1.53 C ATOM 867 C ASP A 57 6.815 4.556 2.766 1.00 1.16 C ATOM 868 O ASP A 57 6.230 4.565 3.853 1.00 1.07 O ATOM 869 CB ASP A 57 8.596 6.318 2.097 1.00 1.76 C ATOM 870 CG ASP A 57 9.412 6.446 0.798 1.00 3.08 C ATOM 871 OD1 ASP A 57 10.119 5.486 0.416 1.00 4.56 O ATOM 872 OD2 ASP A 57 9.331 7.538 0.196 1.00 3.41 O ATOM 0 H ASP A 57 9.481 4.145 1.175 1.00 1.58 H new ATOM 0 HA ASP A 57 8.664 4.997 3.728 1.00 1.53 H new ATOM 0 HB2 ASP A 57 7.634 6.800 1.924 1.00 1.76 H new ATOM 0 HB3 ASP A 57 9.111 6.900 2.861 1.00 1.76 H new ATOM 877 N ILE A 58 6.189 4.177 1.643 1.00 0.95 N ATOM 878 CA ILE A 58 4.828 3.627 1.696 1.00 0.70 C ATOM 879 C ILE A 58 4.790 2.445 2.651 1.00 0.61 C ATOM 880 O ILE A 58 3.945 2.399 3.544 1.00 0.51 O ATOM 881 CB ILE A 58 4.316 3.203 0.307 1.00 0.60 C ATOM 882 CG1 ILE A 58 3.719 4.403 -0.417 1.00 0.62 C ATOM 883 CG2 ILE A 58 3.201 2.145 0.373 1.00 0.56 C ATOM 884 CD1 ILE A 58 3.993 4.294 -1.914 1.00 0.89 C ATOM 0 H ILE A 58 6.592 4.239 0.708 1.00 0.95 H new ATOM 0 HA ILE A 58 4.167 4.415 2.056 1.00 0.70 H new ATOM 0 HB ILE A 58 5.181 2.789 -0.211 1.00 0.60 H new ATOM 0 HG12 ILE A 58 2.645 4.450 -0.237 1.00 0.62 H new ATOM 0 HG13 ILE A 58 4.148 5.325 -0.026 1.00 0.62 H new ATOM 0 HG21 ILE A 58 2.883 1.888 -0.637 1.00 0.56 H new ATOM 0 HG22 ILE A 58 3.576 1.252 0.874 1.00 0.56 H new ATOM 0 HG23 ILE A 58 2.353 2.544 0.930 1.00 0.56 H new ATOM 0 HD11 ILE A 58 3.564 5.155 -2.426 1.00 0.89 H new ATOM 0 HD12 ILE A 58 5.069 4.269 -2.086 1.00 0.89 H new ATOM 0 HD13 ILE A 58 3.542 3.380 -2.301 1.00 0.89 H new ATOM 896 N ILE A 59 5.681 1.474 2.448 1.00 0.75 N ATOM 897 CA ILE A 59 5.631 0.240 3.222 1.00 0.89 C ATOM 898 C ILE A 59 5.674 0.575 4.719 1.00 0.91 C ATOM 899 O ILE A 59 4.789 0.148 5.449 1.00 0.79 O ATOM 900 CB ILE A 59 6.712 -0.758 2.777 1.00 1.28 C ATOM 901 CG1 ILE A 59 6.553 -1.123 1.290 1.00 1.25 C ATOM 902 CG2 ILE A 59 6.612 -2.056 3.589 1.00 1.76 C ATOM 903 CD1 ILE A 59 7.793 -1.804 0.718 1.00 1.57 C ATOM 0 H ILE A 59 6.435 1.519 1.763 1.00 0.75 H new ATOM 0 HA ILE A 59 4.688 -0.272 3.031 1.00 0.89 H new ATOM 0 HB ILE A 59 7.677 -0.278 2.940 1.00 1.28 H new ATOM 0 HG12 ILE A 59 5.693 -1.782 1.171 1.00 1.25 H new ATOM 0 HG13 ILE A 59 6.343 -0.219 0.718 1.00 1.25 H new ATOM 0 HG21 ILE A 59 7.385 -2.751 3.261 1.00 1.76 H new ATOM 0 HG22 ILE A 59 6.749 -1.835 4.647 1.00 1.76 H new ATOM 0 HG23 ILE A 59 5.631 -2.506 3.437 1.00 1.76 H new ATOM 0 HD11 ILE A 59 7.627 -2.040 -0.333 1.00 1.57 H new ATOM 0 HD12 ILE A 59 8.650 -1.136 0.809 1.00 1.57 H new ATOM 0 HD13 ILE A 59 7.990 -2.724 1.269 1.00 1.57 H new ATOM 915 N HIS A 60 6.632 1.392 5.170 1.00 1.12 N ATOM 916 CA HIS A 60 6.697 1.887 6.540 1.00 1.18 C ATOM 917 C HIS A 60 5.354 2.453 6.962 1.00 0.95 C ATOM 918 O HIS A 60 4.893 2.158 8.061 1.00 0.88 O ATOM 919 CB HIS A 60 7.758 2.991 6.690 1.00 1.43 C ATOM 920 CG HIS A 60 9.168 2.492 6.830 1.00 2.15 C ATOM 921 ND1 HIS A 60 10.281 3.011 6.212 1.00 3.16 N ATOM 922 CD2 HIS A 60 9.590 1.521 7.692 1.00 2.24 C ATOM 923 CE1 HIS A 60 11.347 2.327 6.668 1.00 3.79 C ATOM 924 NE2 HIS A 60 10.971 1.367 7.532 1.00 3.26 N ATOM 0 H HIS A 60 7.393 1.730 4.581 1.00 1.12 H new ATOM 0 HA HIS A 60 6.967 1.042 7.174 1.00 1.18 H new ATOM 0 HB2 HIS A 60 7.704 3.648 5.822 1.00 1.43 H new ATOM 0 HB3 HIS A 60 7.513 3.596 7.563 1.00 1.43 H new ATOM 0 HD1 HIS A 60 10.296 3.773 5.534 1.00 3.16 H new ATOM 0 HD2 HIS A 60 8.966 0.968 8.378 1.00 2.24 H new ATOM 0 HE1 HIS A 60 12.369 2.523 6.378 1.00 3.79 H new ATOM 932 N THR A 61 4.734 3.267 6.107 1.00 0.90 N ATOM 933 CA THR A 61 3.443 3.849 6.436 1.00 0.80 C ATOM 934 C THR A 61 2.430 2.730 6.714 1.00 0.53 C ATOM 935 O THR A 61 1.776 2.738 7.755 1.00 0.53 O ATOM 936 CB THR A 61 2.986 4.836 5.350 1.00 0.91 C ATOM 937 OG1 THR A 61 4.025 5.755 5.069 1.00 1.21 O ATOM 938 CG2 THR A 61 1.769 5.634 5.825 1.00 1.03 C ATOM 0 H THR A 61 5.103 3.533 5.194 1.00 0.90 H new ATOM 0 HA THR A 61 3.527 4.440 7.348 1.00 0.80 H new ATOM 0 HB THR A 61 2.729 4.261 4.460 1.00 0.91 H new ATOM 0 HG1 THR A 61 4.716 5.313 4.533 1.00 1.21 H new ATOM 0 HG21 THR A 61 1.460 6.327 5.042 1.00 1.03 H new ATOM 0 HG22 THR A 61 0.950 4.950 6.048 1.00 1.03 H new ATOM 0 HG23 THR A 61 2.029 6.194 6.724 1.00 1.03 H new ATOM 946 N ILE A 62 2.324 1.746 5.816 1.00 0.41 N ATOM 947 CA ILE A 62 1.422 0.609 5.985 1.00 0.33 C ATOM 948 C ILE A 62 1.730 -0.142 7.282 1.00 0.36 C ATOM 949 O ILE A 62 0.836 -0.344 8.106 1.00 0.35 O ATOM 950 CB ILE A 62 1.460 -0.310 4.752 1.00 0.44 C ATOM 951 CG1 ILE A 62 1.007 0.497 3.528 1.00 0.41 C ATOM 952 CG2 ILE A 62 0.549 -1.534 4.942 1.00 0.70 C ATOM 953 CD1 ILE A 62 0.940 -0.354 2.266 1.00 0.75 C ATOM 0 H ILE A 62 2.863 1.718 4.951 1.00 0.41 H new ATOM 0 HA ILE A 62 0.402 0.984 6.069 1.00 0.33 H new ATOM 0 HB ILE A 62 2.477 -0.675 4.610 1.00 0.44 H new ATOM 0 HG12 ILE A 62 0.026 0.930 3.724 1.00 0.41 H new ATOM 0 HG13 ILE A 62 1.695 1.327 3.368 1.00 0.41 H new ATOM 0 HG21 ILE A 62 0.597 -2.165 4.054 1.00 0.70 H new ATOM 0 HG22 ILE A 62 0.881 -2.104 5.810 1.00 0.70 H new ATOM 0 HG23 ILE A 62 -0.478 -1.203 5.097 1.00 0.70 H new ATOM 0 HD11 ILE A 62 0.615 0.263 1.428 1.00 0.75 H new ATOM 0 HD12 ILE A 62 1.926 -0.766 2.052 1.00 0.75 H new ATOM 0 HD13 ILE A 62 0.231 -1.169 2.414 1.00 0.75 H new ATOM 965 N GLU A 63 2.980 -0.569 7.463 1.00 0.53 N ATOM 966 CA GLU A 63 3.364 -1.333 8.637 1.00 0.71 C ATOM 967 C GLU A 63 2.989 -0.547 9.895 1.00 0.66 C ATOM 968 O GLU A 63 2.227 -1.025 10.734 1.00 0.66 O ATOM 969 CB GLU A 63 4.850 -1.732 8.575 1.00 0.98 C ATOM 970 CG GLU A 63 5.105 -2.578 7.319 1.00 2.06 C ATOM 971 CD GLU A 63 6.438 -3.314 7.301 1.00 3.02 C ATOM 972 OE1 GLU A 63 7.494 -2.636 7.308 1.00 2.99 O ATOM 973 OE2 GLU A 63 6.383 -4.555 7.182 1.00 4.57 O ATOM 0 H GLU A 63 3.741 -0.395 6.807 1.00 0.53 H new ATOM 0 HA GLU A 63 2.815 -2.274 8.669 1.00 0.71 H new ATOM 0 HB2 GLU A 63 5.476 -0.840 8.558 1.00 0.98 H new ATOM 0 HB3 GLU A 63 5.123 -2.296 9.467 1.00 0.98 H new ATOM 0 HG2 GLU A 63 4.302 -3.309 7.222 1.00 2.06 H new ATOM 0 HG3 GLU A 63 5.053 -1.929 6.445 1.00 2.06 H new ATOM 980 N SER A 64 3.453 0.704 9.955 1.00 0.71 N ATOM 981 CA SER A 64 3.132 1.662 10.999 1.00 0.72 C ATOM 982 C SER A 64 1.621 1.728 11.263 1.00 0.65 C ATOM 983 O SER A 64 1.210 1.706 12.421 1.00 0.89 O ATOM 984 CB SER A 64 3.741 3.024 10.633 1.00 0.80 C ATOM 985 OG SER A 64 3.513 3.994 11.639 1.00 0.88 O ATOM 0 H SER A 64 4.084 1.084 9.250 1.00 0.71 H new ATOM 0 HA SER A 64 3.573 1.337 11.942 1.00 0.72 H new ATOM 0 HB2 SER A 64 4.814 2.911 10.475 1.00 0.80 H new ATOM 0 HB3 SER A 64 3.315 3.371 9.692 1.00 0.80 H new ATOM 0 HG SER A 64 3.917 4.846 11.370 1.00 0.88 H new ATOM 991 N LEU A 65 0.778 1.834 10.229 1.00 0.51 N ATOM 992 CA LEU A 65 -0.659 1.901 10.430 1.00 0.57 C ATOM 993 C LEU A 65 -1.225 0.699 11.188 1.00 0.60 C ATOM 994 O LEU A 65 -2.087 0.899 12.051 1.00 1.10 O ATOM 995 CB LEU A 65 -1.358 2.072 9.079 1.00 0.79 C ATOM 996 CG LEU A 65 -1.224 3.516 8.580 1.00 1.07 C ATOM 997 CD1 LEU A 65 -1.312 3.501 7.059 1.00 1.92 C ATOM 998 CD2 LEU A 65 -2.309 4.415 9.180 1.00 1.35 C ATOM 0 H LEU A 65 1.072 1.874 9.253 1.00 0.51 H new ATOM 0 HA LEU A 65 -0.855 2.767 11.062 1.00 0.57 H new ATOM 0 HB2 LEU A 65 -0.924 1.388 8.350 1.00 0.79 H new ATOM 0 HB3 LEU A 65 -2.412 1.811 9.173 1.00 0.79 H new ATOM 0 HG LEU A 65 -0.265 3.926 8.896 1.00 1.07 H new ATOM 0 HD11 LEU A 65 -1.219 4.518 6.679 1.00 1.92 H new ATOM 0 HD12 LEU A 65 -0.507 2.888 6.654 1.00 1.92 H new ATOM 0 HD13 LEU A 65 -2.273 3.086 6.754 1.00 1.92 H new ATOM 0 HD21 LEU A 65 -2.187 5.432 8.807 1.00 1.35 H new ATOM 0 HD22 LEU A 65 -3.292 4.040 8.894 1.00 1.35 H new ATOM 0 HD23 LEU A 65 -2.222 4.414 10.267 1.00 1.35 H new ATOM 1010 N GLY A 66 -0.890 -0.541 10.812 1.00 0.52 N ATOM 1011 CA GLY A 66 -1.363 -1.679 11.603 1.00 0.71 C ATOM 1012 C GLY A 66 -0.653 -3.026 11.434 1.00 0.78 C ATOM 1013 O GLY A 66 -1.133 -4.006 12.000 1.00 1.19 O ATOM 0 H GLY A 66 -0.318 -0.776 10.001 1.00 0.52 H new ATOM 0 HA2 GLY A 66 -1.302 -1.401 12.655 1.00 0.71 H new ATOM 0 HA3 GLY A 66 -2.418 -1.828 11.373 1.00 0.71 H new ATOM 1017 N PHE A 67 0.370 -3.135 10.583 1.00 0.77 N ATOM 1018 CA PHE A 67 0.588 -4.360 9.806 1.00 0.80 C ATOM 1019 C PHE A 67 2.063 -4.749 9.724 1.00 1.07 C ATOM 1020 O PHE A 67 2.927 -4.014 10.196 1.00 1.76 O ATOM 1021 CB PHE A 67 0.001 -4.146 8.399 1.00 0.73 C ATOM 1022 CG PHE A 67 -1.419 -3.604 8.402 1.00 0.56 C ATOM 1023 CD1 PHE A 67 -2.405 -4.282 9.136 1.00 1.91 C ATOM 1024 CD2 PHE A 67 -1.689 -2.313 7.913 1.00 1.73 C ATOM 1025 CE1 PHE A 67 -3.613 -3.647 9.451 1.00 1.85 C ATOM 1026 CE2 PHE A 67 -2.910 -1.684 8.203 1.00 1.79 C ATOM 1027 CZ PHE A 67 -3.879 -2.358 8.960 1.00 0.55 C ATOM 0 H PHE A 67 1.055 -2.398 10.414 1.00 0.77 H new ATOM 0 HA PHE A 67 0.087 -5.187 10.309 1.00 0.80 H new ATOM 0 HB2 PHE A 67 0.642 -3.457 7.849 1.00 0.73 H new ATOM 0 HB3 PHE A 67 0.017 -5.094 7.861 1.00 0.73 H new ATOM 0 HD1 PHE A 67 -2.231 -5.298 9.459 1.00 1.91 H new ATOM 0 HD2 PHE A 67 -0.952 -1.802 7.311 1.00 1.73 H new ATOM 0 HE1 PHE A 67 -4.340 -4.149 10.072 1.00 1.85 H new ATOM 0 HE2 PHE A 67 -3.103 -0.684 7.844 1.00 1.79 H new ATOM 0 HZ PHE A 67 -4.829 -1.887 9.165 1.00 0.55 H new ATOM 1037 N GLU A 68 2.345 -5.884 9.077 1.00 0.68 N ATOM 1038 CA GLU A 68 3.576 -6.005 8.305 1.00 0.53 C ATOM 1039 C GLU A 68 3.194 -5.885 6.827 1.00 0.72 C ATOM 1040 O GLU A 68 2.040 -6.144 6.467 1.00 1.31 O ATOM 1041 CB GLU A 68 4.264 -7.352 8.516 1.00 0.61 C ATOM 1042 CG GLU A 68 4.577 -7.759 9.955 1.00 1.70 C ATOM 1043 CD GLU A 68 5.260 -9.114 9.919 1.00 2.15 C ATOM 1044 OE1 GLU A 68 6.453 -9.155 9.550 1.00 2.94 O ATOM 1045 OE2 GLU A 68 4.533 -10.126 10.003 1.00 2.85 O ATOM 0 H GLU A 68 1.750 -6.712 9.074 1.00 0.68 H new ATOM 0 HA GLU A 68 4.270 -5.228 8.626 1.00 0.53 H new ATOM 0 HB2 GLU A 68 3.635 -8.125 8.076 1.00 0.61 H new ATOM 0 HB3 GLU A 68 5.199 -7.345 7.956 1.00 0.61 H new ATOM 0 HG2 GLU A 68 5.222 -7.019 10.429 1.00 1.70 H new ATOM 0 HG3 GLU A 68 3.662 -7.809 10.545 1.00 1.70 H new ATOM 1052 N ALA A 69 4.152 -5.533 5.969 1.00 0.58 N ATOM 1053 CA ALA A 69 3.924 -5.370 4.543 1.00 0.69 C ATOM 1054 C ALA A 69 5.186 -5.700 3.748 1.00 0.76 C ATOM 1055 O ALA A 69 6.297 -5.700 4.275 1.00 1.01 O ATOM 1056 CB ALA A 69 3.395 -3.963 4.260 1.00 1.00 C ATOM 0 H ALA A 69 5.115 -5.353 6.252 1.00 0.58 H new ATOM 0 HA ALA A 69 3.163 -6.077 4.213 1.00 0.69 H new ATOM 0 HB1 ALA A 69 3.226 -3.846 3.190 1.00 1.00 H new ATOM 0 HB2 ALA A 69 2.457 -3.813 4.794 1.00 1.00 H new ATOM 0 HB3 ALA A 69 4.125 -3.226 4.594 1.00 1.00 H new ATOM 1062 N SER A 70 5.013 -6.109 2.490 1.00 0.72 N ATOM 1063 CA SER A 70 6.062 -6.764 1.726 1.00 0.76 C ATOM 1064 C SER A 70 5.820 -6.587 0.225 1.00 0.72 C ATOM 1065 O SER A 70 4.957 -7.266 -0.315 1.00 0.63 O ATOM 1066 CB SER A 70 6.050 -8.248 2.118 1.00 0.95 C ATOM 1067 OG SER A 70 6.342 -8.393 3.503 1.00 1.94 O ATOM 0 H SER A 70 4.139 -5.993 1.977 1.00 0.72 H new ATOM 0 HA SER A 70 7.035 -6.325 1.945 1.00 0.76 H new ATOM 0 HB2 SER A 70 5.075 -8.682 1.897 1.00 0.95 H new ATOM 0 HB3 SER A 70 6.784 -8.794 1.525 1.00 0.95 H new ATOM 0 HG SER A 70 7.048 -9.062 3.620 1.00 1.94 H new ATOM 1073 N LEU A 71 6.564 -5.696 -0.442 1.00 0.90 N ATOM 1074 CA LEU A 71 6.586 -5.560 -1.903 1.00 0.86 C ATOM 1075 C LEU A 71 6.776 -6.909 -2.600 1.00 0.86 C ATOM 1076 O LEU A 71 7.613 -7.708 -2.184 1.00 1.34 O ATOM 1077 CB LEU A 71 7.623 -4.511 -2.333 1.00 1.08 C ATOM 1078 CG LEU A 71 9.117 -4.860 -2.192 1.00 1.37 C ATOM 1079 CD1 LEU A 71 9.933 -3.634 -2.625 1.00 1.69 C ATOM 1080 CD2 LEU A 71 9.546 -5.238 -0.769 1.00 2.85 C ATOM 0 H LEU A 71 7.181 -5.035 0.030 1.00 0.90 H new ATOM 0 HA LEU A 71 5.610 -5.197 -2.227 1.00 0.86 H new ATOM 0 HB2 LEU A 71 7.436 -4.268 -3.379 1.00 1.08 H new ATOM 0 HB3 LEU A 71 7.438 -3.605 -1.757 1.00 1.08 H new ATOM 0 HG LEU A 71 9.295 -5.736 -2.816 1.00 1.37 H new ATOM 0 HD11 LEU A 71 10.997 -3.854 -2.535 1.00 1.69 H new ATOM 0 HD12 LEU A 71 9.700 -3.389 -3.661 1.00 1.69 H new ATOM 0 HD13 LEU A 71 9.683 -2.786 -1.987 1.00 1.69 H new ATOM 0 HD21 LEU A 71 10.611 -5.469 -0.759 1.00 2.85 H new ATOM 0 HD22 LEU A 71 9.349 -4.404 -0.096 1.00 2.85 H new ATOM 0 HD23 LEU A 71 8.983 -6.111 -0.439 1.00 2.85 H new ATOM 1092 N VAL A 72 5.976 -7.165 -3.640 1.00 0.87 N ATOM 1093 CA VAL A 72 6.017 -8.375 -4.445 1.00 0.89 C ATOM 1094 C VAL A 72 6.054 -7.991 -5.923 1.00 1.16 C ATOM 1095 O VAL A 72 5.420 -7.014 -6.316 1.00 2.50 O ATOM 1096 CB VAL A 72 4.806 -9.272 -4.127 1.00 0.89 C ATOM 1097 CG1 VAL A 72 4.771 -9.599 -2.636 1.00 1.03 C ATOM 1098 CG2 VAL A 72 3.457 -8.662 -4.535 1.00 1.10 C ATOM 0 H VAL A 72 5.260 -6.508 -3.950 1.00 0.87 H new ATOM 0 HA VAL A 72 6.916 -8.945 -4.209 1.00 0.89 H new ATOM 0 HB VAL A 72 4.942 -10.175 -4.722 1.00 0.89 H new ATOM 0 HG11 VAL A 72 3.911 -10.234 -2.423 1.00 1.03 H new ATOM 0 HG12 VAL A 72 5.686 -10.122 -2.357 1.00 1.03 H new ATOM 0 HG13 VAL A 72 4.691 -8.675 -2.063 1.00 1.03 H new ATOM 0 HG21 VAL A 72 2.653 -9.352 -4.279 1.00 1.10 H new ATOM 0 HG22 VAL A 72 3.309 -7.720 -4.006 1.00 1.10 H new ATOM 0 HG23 VAL A 72 3.450 -8.480 -5.610 1.00 1.10 H new ATOM 1108 N LYS A 73 6.776 -8.774 -6.733 1.00 1.59 N ATOM 1109 CA LYS A 73 6.853 -8.619 -8.181 1.00 1.98 C ATOM 1110 C LYS A 73 7.136 -7.162 -8.572 1.00 2.04 C ATOM 1111 O LYS A 73 6.391 -6.570 -9.351 1.00 3.18 O ATOM 1112 CB LYS A 73 5.558 -9.147 -8.820 1.00 3.68 C ATOM 1113 CG LYS A 73 5.672 -9.285 -10.348 1.00 4.96 C ATOM 1114 CD LYS A 73 4.417 -8.759 -11.061 1.00 6.15 C ATOM 1115 CE LYS A 73 3.109 -9.440 -10.628 1.00 7.57 C ATOM 1116 NZ LYS A 73 3.185 -10.911 -10.721 1.00 8.34 N ATOM 0 H LYS A 73 7.336 -9.552 -6.385 1.00 1.59 H new ATOM 0 HA LYS A 73 7.689 -9.207 -8.560 1.00 1.98 H new ATOM 0 HB2 LYS A 73 5.312 -10.117 -8.388 1.00 3.68 H new ATOM 0 HB3 LYS A 73 4.736 -8.473 -8.579 1.00 3.68 H new ATOM 0 HG2 LYS A 73 6.546 -8.737 -10.699 1.00 4.96 H new ATOM 0 HG3 LYS A 73 5.827 -10.332 -10.608 1.00 4.96 H new ATOM 0 HD2 LYS A 73 4.332 -7.688 -10.879 1.00 6.15 H new ATOM 0 HD3 LYS A 73 4.542 -8.890 -12.136 1.00 6.15 H new ATOM 0 HE2 LYS A 73 2.876 -9.155 -9.602 1.00 7.57 H new ATOM 0 HE3 LYS A 73 2.291 -9.081 -11.252 1.00 7.57 H new ATOM 0 HZ1 LYS A 73 2.255 -11.321 -10.501 1.00 8.34 H new ATOM 0 HZ2 LYS A 73 3.464 -11.184 -11.685 1.00 8.34 H new ATOM 0 HZ3 LYS A 73 3.889 -11.266 -10.043 1.00 8.34 H new ATOM 1130 N ILE A 74 8.218 -6.595 -8.042 1.00 3.43 N ATOM 1131 CA ILE A 74 8.649 -5.245 -8.350 1.00 5.39 C ATOM 1132 C ILE A 74 10.159 -5.214 -8.101 1.00 6.63 C ATOM 1133 O ILE A 74 10.618 -5.955 -7.229 1.00 7.15 O ATOM 1134 CB ILE A 74 7.831 -4.241 -7.503 1.00 6.32 C ATOM 1135 CG1 ILE A 74 7.511 -2.964 -8.291 1.00 7.20 C ATOM 1136 CG2 ILE A 74 8.510 -3.910 -6.168 1.00 7.97 C ATOM 1137 CD1 ILE A 74 6.352 -3.199 -9.271 1.00 6.58 C ATOM 0 H ILE A 74 8.825 -7.073 -7.377 1.00 3.43 H new ATOM 0 HA ILE A 74 8.469 -4.951 -9.384 1.00 5.39 H new ATOM 0 HB ILE A 74 6.888 -4.735 -7.267 1.00 6.32 H new ATOM 0 HG12 ILE A 74 7.251 -2.162 -7.601 1.00 7.20 H new ATOM 0 HG13 ILE A 74 8.395 -2.639 -8.839 1.00 7.20 H new ATOM 0 HG21 ILE A 74 7.895 -3.202 -5.613 1.00 7.97 H new ATOM 0 HG22 ILE A 74 8.629 -4.823 -5.584 1.00 7.97 H new ATOM 0 HG23 ILE A 74 9.489 -3.470 -6.357 1.00 7.97 H new ATOM 0 HD11 ILE A 74 6.145 -2.279 -9.817 1.00 6.58 H new ATOM 0 HD12 ILE A 74 6.625 -3.985 -9.975 1.00 6.58 H new ATOM 0 HD13 ILE A 74 5.463 -3.500 -8.717 1.00 6.58 H new ATOM 1149 N GLU A 75 10.887 -4.396 -8.868 1.00 7.60 N ATOM 1150 CA GLU A 75 12.339 -4.317 -8.926 1.00 9.04 C ATOM 1151 C GLU A 75 13.036 -5.678 -8.781 1.00 9.43 C ATOM 1152 O GLU A 75 12.626 -6.607 -9.516 1.00 9.01 O ATOM 1153 CB GLU A 75 12.840 -3.240 -7.951 1.00 10.34 C ATOM 1154 CG GLU A 75 11.985 -1.956 -7.962 1.00 10.45 C ATOM 1155 CD GLU A 75 11.657 -1.453 -9.365 1.00 10.60 C ATOM 1156 OE1 GLU A 75 10.642 -1.942 -9.914 1.00 10.06 O ATOM 1157 OE2 GLU A 75 12.417 -0.591 -9.854 1.00 11.65 O ATOM 1158 OXT GLU A 75 13.987 -5.763 -7.973 1.00 10.61 O ATOM 0 H GLU A 75 10.444 -3.732 -9.503 1.00 7.60 H new ATOM 0 HA GLU A 75 12.624 -4.004 -9.931 1.00 9.04 H new ATOM 0 HB2 GLU A 75 12.851 -3.651 -6.942 1.00 10.34 H new ATOM 0 HB3 GLU A 75 13.869 -2.984 -8.202 1.00 10.34 H new ATOM 0 HG2 GLU A 75 11.055 -2.144 -7.426 1.00 10.45 H new ATOM 0 HG3 GLU A 75 12.513 -1.173 -7.418 1.00 10.45 H new TER 1165 GLU A 75