USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 591 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 41 THR OG1 : rot -100:sc= 1.09 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -154:sc= 1.29 (180deg=0) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.975 K(o=2.2,f=-4.2!) USER MOD Set 2.2: A 61 THR OG1 : rot 174:sc= 1.25 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00661) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.21 (180deg=-1.52!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00066 USER MOD Single : A 20 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.17) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= 0.924 (180deg=0.756) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -150:sc= 0 USER MOD Single : A 27 THR OG1 : rot 138:sc= 1.33 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -170:sc= -0.645 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0449 F(o=-0.6,f=-0.045) USER MOD Single : A 45 HIS : no HE2:sc= 0.454 K(o=0.45,f=-5.3!) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0.106 (180deg=-0.115) USER MOD Single : A 48 TYR OH : rot 174:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -43:sc= 1.58 USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= 1.82 (180deg=-4.73!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.814 -13.631 -6.831 1.00 7.00 N ATOM 2 CA MET A 1 -7.937 -15.086 -6.661 1.00 5.96 C ATOM 3 C MET A 1 -7.975 -15.370 -5.158 1.00 4.75 C ATOM 4 O MET A 1 -8.556 -14.571 -4.426 1.00 5.81 O ATOM 5 CB MET A 1 -6.850 -15.850 -7.440 1.00 6.10 C ATOM 6 CG MET A 1 -5.403 -15.649 -6.952 1.00 6.81 C ATOM 7 SD MET A 1 -4.539 -17.209 -6.619 1.00 7.23 S ATOM 8 CE MET A 1 -2.974 -16.590 -5.967 1.00 8.81 C ATOM 0 H1 MET A 1 -7.357 -13.425 -7.742 1.00 7.00 H new ATOM 0 H2 MET A 1 -8.759 -13.198 -6.812 1.00 7.00 H new ATOM 0 H3 MET A 1 -7.238 -13.239 -6.059 1.00 7.00 H new ATOM 0 HA MET A 1 -8.863 -15.459 -7.098 1.00 5.96 H new ATOM 0 HB2 MET A 1 -7.082 -16.914 -7.399 1.00 6.10 H new ATOM 0 HB3 MET A 1 -6.904 -15.552 -8.487 1.00 6.10 H new ATOM 0 HG2 MET A 1 -4.848 -15.087 -7.703 1.00 6.81 H new ATOM 0 HG3 MET A 1 -5.413 -15.045 -6.044 1.00 6.81 H new ATOM 0 HE1 MET A 1 -2.314 -17.429 -5.747 1.00 8.81 H new ATOM 0 HE2 MET A 1 -2.503 -15.942 -6.706 1.00 8.81 H new ATOM 0 HE3 MET A 1 -3.159 -16.024 -5.054 1.00 8.81 H new ATOM 20 N GLY A 2 -7.322 -16.432 -4.679 1.00 3.43 N ATOM 21 CA GLY A 2 -6.982 -16.557 -3.269 1.00 3.23 C ATOM 22 C GLY A 2 -5.942 -15.492 -2.921 1.00 2.46 C ATOM 23 O GLY A 2 -4.746 -15.776 -2.931 1.00 3.14 O ATOM 0 H GLY A 2 -7.019 -17.218 -5.254 1.00 3.43 H new ATOM 0 HA2 GLY A 2 -7.872 -16.432 -2.653 1.00 3.23 H new ATOM 0 HA3 GLY A 2 -6.588 -17.552 -3.062 1.00 3.23 H new ATOM 27 N ASP A 3 -6.403 -14.260 -2.694 1.00 2.40 N ATOM 28 CA ASP A 3 -5.536 -13.107 -2.497 1.00 1.89 C ATOM 29 C ASP A 3 -4.595 -13.288 -1.301 1.00 1.37 C ATOM 30 O ASP A 3 -4.881 -14.056 -0.382 1.00 2.47 O ATOM 31 CB ASP A 3 -6.364 -11.814 -2.392 1.00 3.12 C ATOM 32 CG ASP A 3 -6.852 -11.490 -0.987 1.00 3.66 C ATOM 33 OD1 ASP A 3 -6.021 -11.134 -0.124 1.00 4.45 O ATOM 34 OD2 ASP A 3 -8.083 -11.480 -0.755 1.00 4.29 O ATOM 0 H ASP A 3 -7.397 -14.038 -2.642 1.00 2.40 H new ATOM 0 HA ASP A 3 -4.896 -13.021 -3.375 1.00 1.89 H new ATOM 0 HB2 ASP A 3 -5.762 -10.981 -2.755 1.00 3.12 H new ATOM 0 HB3 ASP A 3 -7.227 -11.895 -3.053 1.00 3.12 H new ATOM 39 N GLY A 4 -3.479 -12.559 -1.329 1.00 1.05 N ATOM 40 CA GLY A 4 -2.558 -12.427 -0.216 1.00 1.57 C ATOM 41 C GLY A 4 -2.767 -11.055 0.416 1.00 1.34 C ATOM 42 O GLY A 4 -2.992 -10.074 -0.295 1.00 1.59 O ATOM 0 H GLY A 4 -3.189 -12.032 -2.153 1.00 1.05 H new ATOM 0 HA2 GLY A 4 -2.733 -13.214 0.518 1.00 1.57 H new ATOM 0 HA3 GLY A 4 -1.529 -12.535 -0.559 1.00 1.57 H new ATOM 46 N VAL A 5 -2.671 -10.983 1.747 1.00 1.24 N ATOM 47 CA VAL A 5 -2.702 -9.730 2.489 1.00 1.12 C ATOM 48 C VAL A 5 -1.278 -9.192 2.624 1.00 1.08 C ATOM 49 O VAL A 5 -0.312 -9.944 2.527 1.00 1.47 O ATOM 50 CB VAL A 5 -3.357 -9.923 3.871 1.00 1.38 C ATOM 51 CG1 VAL A 5 -4.828 -10.333 3.733 1.00 1.55 C ATOM 52 CG2 VAL A 5 -2.624 -10.949 4.746 1.00 2.83 C ATOM 0 H VAL A 5 -2.569 -11.805 2.341 1.00 1.24 H new ATOM 0 HA VAL A 5 -3.307 -9.005 1.945 1.00 1.12 H new ATOM 0 HB VAL A 5 -3.289 -8.955 4.368 1.00 1.38 H new ATOM 0 HG11 VAL A 5 -5.264 -10.462 4.724 1.00 1.55 H new ATOM 0 HG12 VAL A 5 -5.373 -9.557 3.195 1.00 1.55 H new ATOM 0 HG13 VAL A 5 -4.894 -11.271 3.182 1.00 1.55 H new ATOM 0 HG21 VAL A 5 -3.134 -11.039 5.705 1.00 2.83 H new ATOM 0 HG22 VAL A 5 -2.619 -11.917 4.245 1.00 2.83 H new ATOM 0 HG23 VAL A 5 -1.598 -10.620 4.910 1.00 2.83 H new ATOM 62 N LEU A 6 -1.138 -7.889 2.866 1.00 1.19 N ATOM 63 CA LEU A 6 0.115 -7.270 3.229 1.00 1.24 C ATOM 64 C LEU A 6 -0.218 -6.117 4.169 1.00 1.22 C ATOM 65 O LEU A 6 -1.105 -5.327 3.850 1.00 1.33 O ATOM 66 CB LEU A 6 0.767 -6.739 1.946 1.00 1.27 C ATOM 67 CG LEU A 6 2.286 -6.876 1.913 1.00 1.38 C ATOM 68 CD1 LEU A 6 2.969 -6.377 3.190 1.00 2.58 C ATOM 69 CD2 LEU A 6 2.715 -8.310 1.598 1.00 2.35 C ATOM 0 H LEU A 6 -1.914 -7.230 2.811 1.00 1.19 H new ATOM 0 HA LEU A 6 0.798 -7.966 3.716 1.00 1.24 H new ATOM 0 HB2 LEU A 6 0.347 -7.270 1.092 1.00 1.27 H new ATOM 0 HB3 LEU A 6 0.506 -5.687 1.827 1.00 1.27 H new ATOM 0 HG LEU A 6 2.621 -6.226 1.105 1.00 1.38 H new ATOM 0 HD11 LEU A 6 4.048 -6.504 3.099 1.00 2.58 H new ATOM 0 HD12 LEU A 6 2.739 -5.322 3.337 1.00 2.58 H new ATOM 0 HD13 LEU A 6 2.607 -6.950 4.044 1.00 2.58 H new ATOM 0 HD21 LEU A 6 3.803 -8.369 1.583 1.00 2.35 H new ATOM 0 HD22 LEU A 6 2.326 -8.982 2.362 1.00 2.35 H new ATOM 0 HD23 LEU A 6 2.322 -8.602 0.624 1.00 2.35 H new ATOM 81 N GLU A 7 0.478 -6.015 5.304 1.00 1.40 N ATOM 82 CA GLU A 7 0.328 -4.907 6.233 1.00 1.31 C ATOM 83 C GLU A 7 1.653 -4.157 6.323 1.00 1.25 C ATOM 84 O GLU A 7 2.664 -4.688 6.790 1.00 1.61 O ATOM 85 CB GLU A 7 -0.223 -5.405 7.572 1.00 1.58 C ATOM 86 CG GLU A 7 -1.684 -5.808 7.330 1.00 1.48 C ATOM 87 CD GLU A 7 -2.426 -6.219 8.586 1.00 2.28 C ATOM 88 OE1 GLU A 7 -1.758 -6.741 9.503 1.00 3.31 O ATOM 89 OE2 GLU A 7 -3.664 -6.063 8.578 1.00 2.85 O ATOM 0 H GLU A 7 1.165 -6.708 5.601 1.00 1.40 H new ATOM 0 HA GLU A 7 -0.410 -4.188 5.878 1.00 1.31 H new ATOM 0 HB2 GLU A 7 0.356 -6.253 7.937 1.00 1.58 H new ATOM 0 HB3 GLU A 7 -0.158 -4.625 8.331 1.00 1.58 H new ATOM 0 HG2 GLU A 7 -2.209 -4.972 6.867 1.00 1.48 H new ATOM 0 HG3 GLU A 7 -1.709 -6.634 6.619 1.00 1.48 H new ATOM 96 N LEU A 8 1.631 -2.920 5.825 1.00 1.04 N ATOM 97 CA LEU A 8 2.762 -2.016 5.782 1.00 1.12 C ATOM 98 C LEU A 8 2.506 -0.890 6.778 1.00 1.04 C ATOM 99 O LEU A 8 1.414 -0.329 6.774 1.00 1.07 O ATOM 100 CB LEU A 8 2.870 -1.422 4.369 1.00 1.59 C ATOM 101 CG LEU A 8 3.012 -2.444 3.228 1.00 0.77 C ATOM 102 CD1 LEU A 8 2.979 -1.718 1.878 1.00 1.59 C ATOM 103 CD2 LEU A 8 4.302 -3.262 3.340 1.00 2.27 C ATOM 0 H LEU A 8 0.786 -2.512 5.426 1.00 1.04 H new ATOM 0 HA LEU A 8 3.684 -2.542 6.030 1.00 1.12 H new ATOM 0 HB2 LEU A 8 1.985 -0.815 4.181 1.00 1.59 H new ATOM 0 HB3 LEU A 8 3.729 -0.751 4.341 1.00 1.59 H new ATOM 0 HG LEU A 8 2.175 -3.138 3.303 1.00 0.77 H new ATOM 0 HD11 LEU A 8 3.080 -2.444 1.072 1.00 1.59 H new ATOM 0 HD12 LEU A 8 2.032 -1.188 1.773 1.00 1.59 H new ATOM 0 HD13 LEU A 8 3.801 -1.004 1.828 1.00 1.59 H new ATOM 0 HD21 LEU A 8 4.357 -3.969 2.513 1.00 2.27 H new ATOM 0 HD22 LEU A 8 5.162 -2.593 3.303 1.00 2.27 H new ATOM 0 HD23 LEU A 8 4.307 -3.807 4.284 1.00 2.27 H new ATOM 115 N VAL A 9 3.509 -0.501 7.569 1.00 1.03 N ATOM 116 CA VAL A 9 3.558 0.818 8.172 1.00 1.04 C ATOM 117 C VAL A 9 4.033 1.731 7.042 1.00 1.06 C ATOM 118 O VAL A 9 5.222 1.784 6.738 1.00 1.66 O ATOM 119 CB VAL A 9 4.466 0.807 9.431 1.00 1.05 C ATOM 120 CG1 VAL A 9 5.347 2.050 9.607 1.00 1.13 C ATOM 121 CG2 VAL A 9 3.634 0.695 10.714 1.00 1.07 C ATOM 0 H VAL A 9 4.304 -1.095 7.804 1.00 1.03 H new ATOM 0 HA VAL A 9 2.600 1.172 8.554 1.00 1.04 H new ATOM 0 HB VAL A 9 5.109 -0.058 9.268 1.00 1.05 H new ATOM 0 HG11 VAL A 9 5.944 1.948 10.513 1.00 1.13 H new ATOM 0 HG12 VAL A 9 6.009 2.152 8.747 1.00 1.13 H new ATOM 0 HG13 VAL A 9 4.716 2.935 9.686 1.00 1.13 H new ATOM 0 HG21 VAL A 9 4.298 0.690 11.579 1.00 1.07 H new ATOM 0 HG22 VAL A 9 2.955 1.545 10.783 1.00 1.07 H new ATOM 0 HG23 VAL A 9 3.057 -0.229 10.694 1.00 1.07 H new ATOM 131 N VAL A 10 3.095 2.387 6.355 1.00 0.58 N ATOM 132 CA VAL A 10 3.411 3.398 5.369 1.00 0.61 C ATOM 133 C VAL A 10 3.647 4.701 6.126 1.00 0.68 C ATOM 134 O VAL A 10 2.856 5.059 7.001 1.00 0.89 O ATOM 135 CB VAL A 10 2.279 3.495 4.339 1.00 0.61 C ATOM 136 CG1 VAL A 10 2.555 4.621 3.347 1.00 1.73 C ATOM 137 CG2 VAL A 10 2.175 2.181 3.559 1.00 1.69 C ATOM 0 H VAL A 10 2.095 2.224 6.474 1.00 0.58 H new ATOM 0 HA VAL A 10 4.309 3.153 4.802 1.00 0.61 H new ATOM 0 HB VAL A 10 1.349 3.695 4.872 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.742 4.676 2.623 1.00 1.73 H new ATOM 0 HG12 VAL A 10 2.629 5.568 3.882 1.00 1.73 H new ATOM 0 HG13 VAL A 10 3.492 4.425 2.826 1.00 1.73 H new ATOM 0 HG21 VAL A 10 1.369 2.254 2.828 1.00 1.69 H new ATOM 0 HG22 VAL A 10 3.116 1.988 3.044 1.00 1.69 H new ATOM 0 HG23 VAL A 10 1.965 1.364 4.249 1.00 1.69 H new ATOM 147 N ARG A 11 4.750 5.385 5.823 1.00 0.82 N ATOM 148 CA ARG A 11 5.233 6.521 6.591 1.00 0.84 C ATOM 149 C ARG A 11 5.848 7.541 5.632 1.00 0.64 C ATOM 150 O ARG A 11 6.533 7.172 4.676 1.00 0.99 O ATOM 151 CB ARG A 11 6.206 6.035 7.680 1.00 1.05 C ATOM 152 CG ARG A 11 7.389 5.265 7.081 1.00 1.67 C ATOM 153 CD ARG A 11 8.158 4.410 8.090 1.00 1.99 C ATOM 154 NE ARG A 11 9.313 5.122 8.658 1.00 2.92 N ATOM 155 CZ ARG A 11 10.455 4.548 9.084 1.00 3.97 C ATOM 156 NH1 ARG A 11 10.677 3.238 8.935 1.00 4.50 N ATOM 157 NH2 ARG A 11 11.377 5.301 9.695 1.00 5.31 N ATOM 0 H ARG A 11 5.340 5.157 5.022 1.00 0.82 H new ATOM 0 HA ARG A 11 4.416 7.021 7.112 1.00 0.84 H new ATOM 0 HB2 ARG A 11 6.577 6.890 8.245 1.00 1.05 H new ATOM 0 HB3 ARG A 11 5.674 5.395 8.384 1.00 1.05 H new ATOM 0 HG2 ARG A 11 7.021 4.621 6.282 1.00 1.67 H new ATOM 0 HG3 ARG A 11 8.078 5.977 6.626 1.00 1.67 H new ATOM 0 HD2 ARG A 11 7.487 4.110 8.895 1.00 1.99 H new ATOM 0 HD3 ARG A 11 8.500 3.497 7.603 1.00 1.99 H new ATOM 0 HE ARG A 11 9.243 6.137 8.736 1.00 2.92 H new ATOM 0 HH11 ARG A 11 9.973 2.649 8.490 1.00 4.50 H new ATOM 0 HH12 ARG A 11 11.550 2.828 9.266 1.00 4.50 H new ATOM 0 HH21 ARG A 11 11.211 6.298 9.834 1.00 5.31 H new ATOM 0 HH22 ARG A 11 12.246 4.878 10.022 1.00 5.31 H new ATOM 171 N GLY A 12 5.539 8.821 5.862 1.00 0.81 N ATOM 172 CA GLY A 12 5.841 9.918 4.953 1.00 0.81 C ATOM 173 C GLY A 12 4.554 10.552 4.421 1.00 0.93 C ATOM 174 O GLY A 12 4.556 11.725 4.053 1.00 1.31 O ATOM 0 H GLY A 12 5.059 9.125 6.709 1.00 0.81 H new ATOM 0 HA2 GLY A 12 6.436 10.671 5.470 1.00 0.81 H new ATOM 0 HA3 GLY A 12 6.442 9.552 4.121 1.00 0.81 H new ATOM 178 N MET A 13 3.453 9.789 4.376 1.00 0.96 N ATOM 179 CA MET A 13 2.156 10.263 3.904 1.00 1.15 C ATOM 180 C MET A 13 1.539 11.254 4.898 1.00 1.09 C ATOM 181 O MET A 13 0.617 10.942 5.644 1.00 1.45 O ATOM 182 CB MET A 13 1.252 9.081 3.523 1.00 1.61 C ATOM 183 CG MET A 13 0.932 8.090 4.647 1.00 0.82 C ATOM 184 SD MET A 13 -0.224 6.787 4.166 1.00 1.41 S ATOM 185 CE MET A 13 -0.476 6.019 5.774 1.00 1.18 C ATOM 0 H MET A 13 3.444 8.813 4.672 1.00 0.96 H new ATOM 0 HA MET A 13 2.286 10.833 2.984 1.00 1.15 H new ATOM 0 HB2 MET A 13 0.313 9.477 3.137 1.00 1.61 H new ATOM 0 HB3 MET A 13 1.726 8.534 2.708 1.00 1.61 H new ATOM 0 HG2 MET A 13 1.860 7.631 4.989 1.00 0.82 H new ATOM 0 HG3 MET A 13 0.516 8.637 5.493 1.00 0.82 H new ATOM 0 HE1 MET A 13 -1.170 5.184 5.674 1.00 1.18 H new ATOM 0 HE2 MET A 13 0.477 5.655 6.157 1.00 1.18 H new ATOM 0 HE3 MET A 13 -0.889 6.752 6.467 1.00 1.18 H new ATOM 195 N THR A 14 2.095 12.463 4.907 1.00 0.93 N ATOM 196 CA THR A 14 1.849 13.485 5.915 1.00 0.95 C ATOM 197 C THR A 14 0.359 13.764 6.184 1.00 0.82 C ATOM 198 O THR A 14 -0.001 14.043 7.327 1.00 1.01 O ATOM 199 CB THR A 14 2.660 14.744 5.557 1.00 1.20 C ATOM 200 OG1 THR A 14 2.609 15.689 6.605 1.00 1.61 O ATOM 201 CG2 THR A 14 2.200 15.408 4.256 1.00 1.58 C ATOM 0 H THR A 14 2.751 12.766 4.187 1.00 0.93 H new ATOM 0 HA THR A 14 2.198 13.105 6.875 1.00 0.95 H new ATOM 0 HB THR A 14 3.685 14.405 5.408 1.00 1.20 H new ATOM 0 HG1 THR A 14 3.132 16.480 6.358 1.00 1.61 H new ATOM 0 HG21 THR A 14 2.812 16.289 4.061 1.00 1.58 H new ATOM 0 HG22 THR A 14 2.305 14.703 3.431 1.00 1.58 H new ATOM 0 HG23 THR A 14 1.155 15.705 4.349 1.00 1.58 H new ATOM 209 N CYS A 15 -0.509 13.714 5.164 1.00 0.75 N ATOM 210 CA CYS A 15 -1.878 14.199 5.281 1.00 0.70 C ATOM 211 C CYS A 15 -2.849 13.380 4.433 1.00 0.62 C ATOM 212 O CYS A 15 -2.443 12.572 3.596 1.00 0.65 O ATOM 213 CB CYS A 15 -1.904 15.680 4.888 1.00 0.78 C ATOM 214 SG CYS A 15 -1.615 16.013 3.130 1.00 0.92 S ATOM 0 H CYS A 15 -0.278 13.338 4.244 1.00 0.75 H new ATOM 0 HA CYS A 15 -2.210 14.086 6.313 1.00 0.70 H new ATOM 0 HB2 CYS A 15 -2.872 16.097 5.167 1.00 0.78 H new ATOM 0 HB3 CYS A 15 -1.149 16.208 5.471 1.00 0.78 H new ATOM 219 N ALA A 16 -4.149 13.630 4.630 1.00 0.59 N ATOM 220 CA ALA A 16 -5.234 13.009 3.880 1.00 0.58 C ATOM 221 C ALA A 16 -4.970 13.053 2.374 1.00 0.60 C ATOM 222 O ALA A 16 -5.210 12.073 1.668 1.00 0.61 O ATOM 223 CB ALA A 16 -6.554 13.713 4.204 1.00 0.64 C ATOM 0 H ALA A 16 -4.478 14.289 5.336 1.00 0.59 H new ATOM 0 HA ALA A 16 -5.296 11.962 4.176 1.00 0.58 H new ATOM 0 HB1 ALA A 16 -7.363 13.246 3.642 1.00 0.64 H new ATOM 0 HB2 ALA A 16 -6.759 13.629 5.271 1.00 0.64 H new ATOM 0 HB3 ALA A 16 -6.482 14.766 3.930 1.00 0.64 H new ATOM 229 N SER A 17 -4.466 14.190 1.888 1.00 0.66 N ATOM 230 CA SER A 17 -4.128 14.374 0.490 1.00 0.76 C ATOM 231 C SER A 17 -3.068 13.370 0.026 1.00 0.75 C ATOM 232 O SER A 17 -3.091 12.966 -1.133 1.00 0.87 O ATOM 233 CB SER A 17 -3.699 15.821 0.244 1.00 0.99 C ATOM 234 OG SER A 17 -4.611 16.691 0.891 1.00 1.73 O ATOM 0 H SER A 17 -4.283 15.011 2.465 1.00 0.66 H new ATOM 0 HA SER A 17 -5.016 14.177 -0.111 1.00 0.76 H new ATOM 0 HB2 SER A 17 -2.690 15.984 0.623 1.00 0.99 H new ATOM 0 HB3 SER A 17 -3.675 16.029 -0.826 1.00 0.99 H new ATOM 0 HG SER A 17 -4.341 17.621 0.739 1.00 1.73 H new ATOM 240 N CYS A 18 -2.133 12.967 0.893 1.00 0.70 N ATOM 241 CA CYS A 18 -1.271 11.827 0.620 1.00 0.69 C ATOM 242 C CYS A 18 -2.023 10.500 0.728 1.00 0.53 C ATOM 243 O CYS A 18 -1.870 9.646 -0.142 1.00 0.50 O ATOM 244 CB CYS A 18 -0.015 11.857 1.484 1.00 0.88 C ATOM 245 SG CYS A 18 1.027 13.301 1.163 1.00 1.24 S ATOM 0 H CYS A 18 -1.959 13.419 1.791 1.00 0.70 H new ATOM 0 HA CYS A 18 -0.944 11.908 -0.417 1.00 0.69 H new ATOM 0 HB2 CYS A 18 -0.303 11.850 2.535 1.00 0.88 H new ATOM 0 HB3 CYS A 18 0.564 10.951 1.306 1.00 0.88 H new ATOM 250 N VAL A 19 -2.814 10.307 1.783 1.00 0.54 N ATOM 251 CA VAL A 19 -3.547 9.057 1.982 1.00 0.53 C ATOM 252 C VAL A 19 -4.339 8.681 0.718 1.00 0.48 C ATOM 253 O VAL A 19 -4.107 7.627 0.123 1.00 0.47 O ATOM 254 CB VAL A 19 -4.441 9.143 3.235 1.00 0.59 C ATOM 255 CG1 VAL A 19 -5.269 7.871 3.454 1.00 0.73 C ATOM 256 CG2 VAL A 19 -3.597 9.360 4.498 1.00 0.69 C ATOM 0 H VAL A 19 -2.964 11.002 2.514 1.00 0.54 H new ATOM 0 HA VAL A 19 -2.831 8.254 2.157 1.00 0.53 H new ATOM 0 HB VAL A 19 -5.110 9.986 3.061 1.00 0.59 H new ATOM 0 HG11 VAL A 19 -5.880 7.985 4.349 1.00 0.73 H new ATOM 0 HG12 VAL A 19 -5.915 7.704 2.592 1.00 0.73 H new ATOM 0 HG13 VAL A 19 -4.601 7.019 3.577 1.00 0.73 H new ATOM 0 HG21 VAL A 19 -4.252 9.417 5.368 1.00 0.69 H new ATOM 0 HG22 VAL A 19 -2.904 8.528 4.620 1.00 0.69 H new ATOM 0 HG23 VAL A 19 -3.035 10.289 4.405 1.00 0.69 H new ATOM 266 N HIS A 20 -5.280 9.530 0.290 1.00 0.50 N ATOM 267 CA HIS A 20 -6.132 9.163 -0.841 1.00 0.55 C ATOM 268 C HIS A 20 -5.352 9.141 -2.163 1.00 0.52 C ATOM 269 O HIS A 20 -5.701 8.380 -3.062 1.00 0.55 O ATOM 270 CB HIS A 20 -7.429 9.983 -0.889 1.00 0.69 C ATOM 271 CG HIS A 20 -7.340 11.338 -1.541 1.00 0.71 C ATOM 272 ND1 HIS A 20 -8.297 11.906 -2.352 1.00 0.86 N ATOM 273 CD2 HIS A 20 -6.318 12.236 -1.423 1.00 0.76 C ATOM 274 CE1 HIS A 20 -7.850 13.122 -2.712 1.00 0.90 C ATOM 275 NE2 HIS A 20 -6.647 13.370 -2.170 1.00 0.91 N ATOM 0 H HIS A 20 -5.466 10.447 0.696 1.00 0.50 H new ATOM 0 HA HIS A 20 -6.460 8.136 -0.682 1.00 0.55 H new ATOM 0 HB2 HIS A 20 -8.183 9.399 -1.416 1.00 0.69 H new ATOM 0 HB3 HIS A 20 -7.786 10.118 0.132 1.00 0.69 H new ATOM 0 HD2 HIS A 20 -5.413 12.094 -0.852 1.00 0.76 H new ATOM 0 HE1 HIS A 20 -8.387 13.807 -3.351 1.00 0.90 H new ATOM 0 HE2 HIS A 20 -6.087 14.215 -2.281 1.00 0.91 H new ATOM 283 N LYS A 21 -4.281 9.939 -2.275 1.00 0.55 N ATOM 284 CA LYS A 21 -3.327 9.860 -3.376 1.00 0.52 C ATOM 285 C LYS A 21 -2.786 8.433 -3.454 1.00 0.45 C ATOM 286 O LYS A 21 -2.869 7.814 -4.516 1.00 0.51 O ATOM 287 CB LYS A 21 -2.230 10.919 -3.165 1.00 0.56 C ATOM 288 CG LYS A 21 -0.883 10.755 -3.893 1.00 0.64 C ATOM 289 CD LYS A 21 0.262 11.348 -3.045 1.00 1.50 C ATOM 290 CE LYS A 21 0.115 12.868 -2.836 1.00 2.20 C ATOM 291 NZ LYS A 21 1.027 13.416 -1.803 1.00 3.33 N ATOM 0 H LYS A 21 -4.056 10.663 -1.593 1.00 0.55 H new ATOM 0 HA LYS A 21 -3.798 10.079 -4.335 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -2.645 11.884 -3.454 1.00 0.56 H new ATOM 0 HB3 LYS A 21 -2.022 10.969 -2.096 1.00 0.56 H new ATOM 0 HG2 LYS A 21 -0.692 9.699 -4.085 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -0.923 11.253 -4.862 1.00 0.64 H new ATOM 0 HD2 LYS A 21 0.286 10.852 -2.075 1.00 1.50 H new ATOM 0 HD3 LYS A 21 1.215 11.142 -3.532 1.00 1.50 H new ATOM 0 HE2 LYS A 21 0.303 13.376 -3.782 1.00 2.20 H new ATOM 0 HE3 LYS A 21 -0.914 13.090 -2.555 1.00 2.20 H new ATOM 0 HZ1 LYS A 21 1.184 14.429 -1.980 1.00 3.33 H new ATOM 0 HZ2 LYS A 21 0.601 13.291 -0.862 1.00 3.33 H new ATOM 0 HZ3 LYS A 21 1.937 12.913 -1.841 1.00 3.33 H new ATOM 305 N ILE A 22 -2.238 7.908 -2.348 1.00 0.39 N ATOM 306 CA ILE A 22 -1.770 6.528 -2.330 1.00 0.38 C ATOM 307 C ILE A 22 -2.901 5.618 -2.760 1.00 0.37 C ATOM 308 O ILE A 22 -2.732 4.899 -3.736 1.00 0.40 O ATOM 309 CB ILE A 22 -1.203 6.073 -0.974 1.00 0.42 C ATOM 310 CG1 ILE A 22 0.062 6.873 -0.658 1.00 0.47 C ATOM 311 CG2 ILE A 22 -0.866 4.570 -1.034 1.00 0.53 C ATOM 312 CD1 ILE A 22 0.673 6.455 0.677 1.00 0.74 C ATOM 0 H ILE A 22 -2.112 8.414 -1.471 1.00 0.39 H new ATOM 0 HA ILE A 22 -0.935 6.468 -3.028 1.00 0.38 H new ATOM 0 HB ILE A 22 -1.944 6.244 -0.193 1.00 0.42 H new ATOM 0 HG12 ILE A 22 0.793 6.729 -1.454 1.00 0.47 H new ATOM 0 HG13 ILE A 22 -0.176 7.936 -0.633 1.00 0.47 H new ATOM 0 HG21 ILE A 22 -0.464 4.249 -0.073 1.00 0.53 H new ATOM 0 HG22 ILE A 22 -1.770 4.003 -1.258 1.00 0.53 H new ATOM 0 HG23 ILE A 22 -0.125 4.394 -1.814 1.00 0.53 H new ATOM 0 HD11 ILE A 22 1.570 7.045 0.867 1.00 0.74 H new ATOM 0 HD12 ILE A 22 -0.049 6.624 1.476 1.00 0.74 H new ATOM 0 HD13 ILE A 22 0.935 5.398 0.642 1.00 0.74 H new ATOM 324 N GLU A 23 -4.022 5.634 -2.035 1.00 0.39 N ATOM 325 CA GLU A 23 -5.112 4.699 -2.275 1.00 0.43 C ATOM 326 C GLU A 23 -5.493 4.696 -3.762 1.00 0.45 C ATOM 327 O GLU A 23 -5.355 3.684 -4.451 1.00 0.56 O ATOM 328 CB GLU A 23 -6.283 5.047 -1.342 1.00 0.53 C ATOM 329 CG GLU A 23 -7.236 3.864 -1.143 1.00 1.37 C ATOM 330 CD GLU A 23 -7.979 3.492 -2.421 1.00 2.86 C ATOM 331 OE1 GLU A 23 -8.536 4.422 -3.040 1.00 3.68 O ATOM 332 OE2 GLU A 23 -7.941 2.296 -2.781 1.00 4.24 O ATOM 0 H GLU A 23 -4.194 6.290 -1.273 1.00 0.39 H new ATOM 0 HA GLU A 23 -4.804 3.679 -2.043 1.00 0.43 H new ATOM 0 HB2 GLU A 23 -5.893 5.364 -0.375 1.00 0.53 H new ATOM 0 HB3 GLU A 23 -6.836 5.891 -1.755 1.00 0.53 H new ATOM 0 HG2 GLU A 23 -6.670 3.001 -0.791 1.00 1.37 H new ATOM 0 HG3 GLU A 23 -7.959 4.110 -0.365 1.00 1.37 H new ATOM 339 N SER A 24 -5.899 5.862 -4.267 1.00 0.46 N ATOM 340 CA SER A 24 -6.374 6.027 -5.628 1.00 0.58 C ATOM 341 C SER A 24 -5.307 5.588 -6.635 1.00 0.57 C ATOM 342 O SER A 24 -5.610 4.868 -7.586 1.00 0.75 O ATOM 343 CB SER A 24 -6.801 7.488 -5.831 1.00 0.71 C ATOM 344 OG SER A 24 -7.400 7.674 -7.099 1.00 0.99 O ATOM 0 H SER A 24 -5.904 6.728 -3.728 1.00 0.46 H new ATOM 0 HA SER A 24 -7.240 5.388 -5.800 1.00 0.58 H new ATOM 0 HB2 SER A 24 -7.503 7.777 -5.048 1.00 0.71 H new ATOM 0 HB3 SER A 24 -5.933 8.140 -5.737 1.00 0.71 H new ATOM 0 HG SER A 24 -7.664 8.612 -7.202 1.00 0.99 H new ATOM 350 N SER A 25 -4.054 6.010 -6.432 1.00 0.48 N ATOM 351 CA SER A 25 -2.979 5.683 -7.353 1.00 0.49 C ATOM 352 C SER A 25 -2.750 4.173 -7.339 1.00 0.50 C ATOM 353 O SER A 25 -2.827 3.511 -8.366 1.00 0.68 O ATOM 354 CB SER A 25 -1.716 6.464 -6.972 1.00 0.57 C ATOM 355 OG SER A 25 -0.676 6.258 -7.909 1.00 1.18 O ATOM 0 H SER A 25 -3.767 6.579 -5.635 1.00 0.48 H new ATOM 0 HA SER A 25 -3.246 5.973 -8.369 1.00 0.49 H new ATOM 0 HB2 SER A 25 -1.949 7.527 -6.913 1.00 0.57 H new ATOM 0 HB3 SER A 25 -1.381 6.155 -5.982 1.00 0.57 H new ATOM 0 HG SER A 25 0.191 6.335 -7.458 1.00 1.18 H new ATOM 361 N LEU A 26 -2.474 3.615 -6.168 1.00 0.56 N ATOM 362 CA LEU A 26 -2.181 2.218 -5.966 1.00 0.79 C ATOM 363 C LEU A 26 -3.268 1.336 -6.578 1.00 0.87 C ATOM 364 O LEU A 26 -2.979 0.454 -7.386 1.00 0.96 O ATOM 365 CB LEU A 26 -2.018 2.039 -4.459 1.00 0.99 C ATOM 366 CG LEU A 26 -1.953 0.602 -3.965 1.00 1.15 C ATOM 367 CD1 LEU A 26 -0.769 -0.148 -4.562 1.00 2.43 C ATOM 368 CD2 LEU A 26 -1.812 0.648 -2.447 1.00 2.17 C ATOM 0 H LEU A 26 -2.449 4.153 -5.302 1.00 0.56 H new ATOM 0 HA LEU A 26 -1.267 1.907 -6.471 1.00 0.79 H new ATOM 0 HB2 LEU A 26 -1.108 2.551 -4.148 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -2.850 2.537 -3.961 1.00 0.99 H new ATOM 0 HG LEU A 26 -2.857 0.074 -4.270 1.00 1.15 H new ATOM 0 HD11 LEU A 26 -0.758 -1.170 -4.184 1.00 2.43 H new ATOM 0 HD12 LEU A 26 -0.858 -0.163 -5.648 1.00 2.43 H new ATOM 0 HD13 LEU A 26 0.158 0.352 -4.281 1.00 2.43 H new ATOM 0 HD21 LEU A 26 -1.762 -0.368 -2.055 1.00 2.17 H new ATOM 0 HD22 LEU A 26 -0.901 1.184 -2.182 1.00 2.17 H new ATOM 0 HD23 LEU A 26 -2.672 1.161 -2.017 1.00 2.17 H new ATOM 380 N THR A 27 -4.528 1.604 -6.248 1.00 0.91 N ATOM 381 CA THR A 27 -5.656 0.844 -6.762 1.00 1.08 C ATOM 382 C THR A 27 -5.804 0.949 -8.290 1.00 0.98 C ATOM 383 O THR A 27 -6.542 0.165 -8.886 1.00 1.34 O ATOM 384 CB THR A 27 -6.894 1.225 -5.933 1.00 1.33 C ATOM 385 OG1 THR A 27 -6.565 0.947 -4.584 1.00 2.80 O ATOM 386 CG2 THR A 27 -8.146 0.418 -6.283 1.00 1.82 C ATOM 0 H THR A 27 -4.793 2.358 -5.614 1.00 0.91 H new ATOM 0 HA THR A 27 -5.496 -0.227 -6.634 1.00 1.08 H new ATOM 0 HB THR A 27 -7.130 2.270 -6.132 1.00 1.33 H new ATOM 0 HG1 THR A 27 -6.895 1.670 -4.011 1.00 2.80 H new ATOM 0 HG21 THR A 27 -8.976 0.744 -5.656 1.00 1.82 H new ATOM 0 HG22 THR A 27 -8.399 0.575 -7.331 1.00 1.82 H new ATOM 0 HG23 THR A 27 -7.956 -0.641 -6.111 1.00 1.82 H new ATOM 394 N LYS A 28 -5.055 1.833 -8.970 1.00 0.85 N ATOM 395 CA LYS A 28 -4.977 1.799 -10.425 1.00 0.80 C ATOM 396 C LYS A 28 -4.313 0.509 -10.923 1.00 0.81 C ATOM 397 O LYS A 28 -4.624 0.035 -12.017 1.00 0.96 O ATOM 398 CB LYS A 28 -4.310 3.070 -10.979 1.00 0.82 C ATOM 399 CG LYS A 28 -2.774 3.061 -11.108 1.00 1.74 C ATOM 400 CD LYS A 28 -2.288 2.807 -12.544 1.00 2.89 C ATOM 401 CE LYS A 28 -2.477 4.053 -13.427 1.00 3.34 C ATOM 402 NZ LYS A 28 -1.956 3.853 -14.795 1.00 4.82 N ATOM 0 H LYS A 28 -4.502 2.571 -8.533 1.00 0.85 H new ATOM 0 HA LYS A 28 -5.994 1.788 -10.817 1.00 0.80 H new ATOM 0 HB2 LYS A 28 -4.731 3.270 -11.965 1.00 0.82 H new ATOM 0 HB3 LYS A 28 -4.590 3.905 -10.337 1.00 0.82 H new ATOM 0 HG2 LYS A 28 -2.381 4.017 -10.762 1.00 1.74 H new ATOM 0 HG3 LYS A 28 -2.365 2.293 -10.452 1.00 1.74 H new ATOM 0 HD2 LYS A 28 -1.235 2.525 -12.529 1.00 2.89 H new ATOM 0 HD3 LYS A 28 -2.836 1.968 -12.973 1.00 2.89 H new ATOM 0 HE2 LYS A 28 -3.537 4.303 -13.477 1.00 3.34 H new ATOM 0 HE3 LYS A 28 -1.970 4.902 -12.968 1.00 3.34 H new ATOM 0 HZ1 LYS A 28 -2.105 4.718 -15.353 1.00 4.82 H new ATOM 0 HZ2 LYS A 28 -0.939 3.640 -14.751 1.00 4.82 H new ATOM 0 HZ3 LYS A 28 -2.457 3.060 -15.245 1.00 4.82 H new ATOM 416 N HIS A 29 -3.377 -0.058 -10.151 1.00 0.77 N ATOM 417 CA HIS A 29 -2.656 -1.260 -10.541 1.00 0.89 C ATOM 418 C HIS A 29 -3.542 -2.481 -10.272 1.00 1.20 C ATOM 419 O HIS A 29 -3.301 -3.246 -9.338 1.00 2.25 O ATOM 420 CB HIS A 29 -1.302 -1.347 -9.820 1.00 1.02 C ATOM 421 CG HIS A 29 -0.507 -0.065 -9.802 1.00 1.00 C ATOM 422 ND1 HIS A 29 0.065 0.587 -10.869 1.00 1.80 N ATOM 423 CD2 HIS A 29 -0.208 0.652 -8.680 1.00 1.15 C ATOM 424 CE1 HIS A 29 0.672 1.687 -10.382 1.00 1.83 C ATOM 425 NE2 HIS A 29 0.532 1.773 -9.051 1.00 1.22 N ATOM 0 H HIS A 29 -3.104 0.310 -9.240 1.00 0.77 H new ATOM 0 HA HIS A 29 -2.431 -1.228 -11.607 1.00 0.89 H new ATOM 0 HB2 HIS A 29 -1.474 -1.665 -8.792 1.00 1.02 H new ATOM 0 HB3 HIS A 29 -0.702 -2.122 -10.297 1.00 1.02 H new ATOM 0 HD1 HIS A 29 0.035 0.293 -11.845 1.00 1.80 H new ATOM 0 HD2 HIS A 29 -0.497 0.394 -7.672 1.00 1.15 H new ATOM 0 HE1 HIS A 29 1.203 2.407 -10.986 1.00 1.83 H new ATOM 433 N ARG A 30 -4.582 -2.635 -11.098 1.00 0.89 N ATOM 434 CA ARG A 30 -5.532 -3.744 -11.058 1.00 1.01 C ATOM 435 C ARG A 30 -4.789 -5.068 -10.846 1.00 0.92 C ATOM 436 O ARG A 30 -4.173 -5.580 -11.778 1.00 2.52 O ATOM 437 CB ARG A 30 -6.335 -3.794 -12.367 1.00 1.43 C ATOM 438 CG ARG A 30 -7.120 -2.505 -12.640 1.00 2.45 C ATOM 439 CD ARG A 30 -8.000 -2.689 -13.883 1.00 3.00 C ATOM 440 NE ARG A 30 -8.640 -1.429 -14.298 1.00 4.17 N ATOM 441 CZ ARG A 30 -9.711 -0.867 -13.715 1.00 5.41 C ATOM 442 NH1 ARG A 30 -10.262 -1.440 -12.639 1.00 5.91 N ATOM 443 NH2 ARG A 30 -10.226 0.263 -14.211 1.00 6.68 N ATOM 0 H ARG A 30 -4.790 -1.965 -11.838 1.00 0.89 H new ATOM 0 HA ARG A 30 -6.219 -3.590 -10.226 1.00 1.01 H new ATOM 0 HB2 ARG A 30 -5.654 -3.980 -13.197 1.00 1.43 H new ATOM 0 HB3 ARG A 30 -7.029 -4.634 -12.329 1.00 1.43 H new ATOM 0 HG2 ARG A 30 -7.739 -2.255 -11.778 1.00 2.45 H new ATOM 0 HG3 ARG A 30 -6.432 -1.673 -12.790 1.00 2.45 H new ATOM 0 HD2 ARG A 30 -7.394 -3.075 -14.703 1.00 3.00 H new ATOM 0 HD3 ARG A 30 -8.768 -3.435 -13.676 1.00 3.00 H new ATOM 0 HE ARG A 30 -8.235 -0.941 -15.097 1.00 4.17 H new ATOM 0 HH11 ARG A 30 -9.868 -2.303 -12.263 1.00 5.91 H new ATOM 0 HH12 ARG A 30 -11.076 -1.014 -12.195 1.00 5.91 H new ATOM 0 HH21 ARG A 30 -9.805 0.698 -15.032 1.00 6.68 H new ATOM 0 HH22 ARG A 30 -11.040 0.690 -13.768 1.00 6.68 H new ATOM 457 N GLY A 31 -4.811 -5.593 -9.620 1.00 1.26 N ATOM 458 CA GLY A 31 -3.885 -6.640 -9.213 1.00 0.84 C ATOM 459 C GLY A 31 -3.642 -6.539 -7.714 1.00 0.90 C ATOM 460 O GLY A 31 -3.674 -7.545 -7.003 1.00 1.10 O ATOM 0 H GLY A 31 -5.465 -5.306 -8.892 1.00 1.26 H new ATOM 0 HA2 GLY A 31 -4.293 -7.620 -9.462 1.00 0.84 H new ATOM 0 HA3 GLY A 31 -2.944 -6.540 -9.754 1.00 0.84 H new ATOM 464 N ILE A 32 -3.537 -5.300 -7.223 1.00 1.18 N ATOM 465 CA ILE A 32 -3.979 -5.024 -5.870 1.00 1.18 C ATOM 466 C ILE A 32 -5.504 -4.981 -5.971 1.00 1.08 C ATOM 467 O ILE A 32 -6.044 -4.545 -6.993 1.00 1.30 O ATOM 468 CB ILE A 32 -3.315 -3.751 -5.300 1.00 1.48 C ATOM 469 CG1 ILE A 32 -4.044 -3.190 -4.065 1.00 2.83 C ATOM 470 CG2 ILE A 32 -3.069 -2.651 -6.338 1.00 1.45 C ATOM 471 CD1 ILE A 32 -5.157 -2.197 -4.413 1.00 2.62 C ATOM 0 H ILE A 32 -3.160 -4.500 -7.731 1.00 1.18 H new ATOM 0 HA ILE A 32 -3.678 -5.783 -5.148 1.00 1.18 H new ATOM 0 HB ILE A 32 -2.332 -4.093 -4.976 1.00 1.48 H new ATOM 0 HG12 ILE A 32 -4.470 -4.017 -3.497 1.00 2.83 H new ATOM 0 HG13 ILE A 32 -3.319 -2.698 -3.417 1.00 2.83 H new ATOM 0 HG21 ILE A 32 -2.601 -1.793 -5.855 1.00 1.45 H new ATOM 0 HG22 ILE A 32 -2.412 -3.030 -7.121 1.00 1.45 H new ATOM 0 HG23 ILE A 32 -4.019 -2.346 -6.777 1.00 1.45 H new ATOM 0 HD11 ILE A 32 -5.628 -1.842 -3.496 1.00 2.62 H new ATOM 0 HD12 ILE A 32 -4.734 -1.351 -4.955 1.00 2.62 H new ATOM 0 HD13 ILE A 32 -5.903 -2.690 -5.036 1.00 2.62 H new ATOM 483 N LEU A 33 -6.180 -5.530 -4.959 1.00 0.90 N ATOM 484 CA LEU A 33 -7.628 -5.669 -4.912 1.00 0.85 C ATOM 485 C LEU A 33 -8.215 -4.624 -3.968 1.00 0.84 C ATOM 486 O LEU A 33 -9.236 -4.020 -4.287 1.00 0.97 O ATOM 487 CB LEU A 33 -8.011 -7.082 -4.452 1.00 0.74 C ATOM 488 CG LEU A 33 -7.402 -8.208 -5.305 1.00 1.09 C ATOM 489 CD1 LEU A 33 -7.875 -9.552 -4.749 1.00 1.73 C ATOM 490 CD2 LEU A 33 -7.782 -8.103 -6.787 1.00 1.55 C ATOM 0 H LEU A 33 -5.717 -5.899 -4.128 1.00 0.90 H new ATOM 0 HA LEU A 33 -8.034 -5.511 -5.911 1.00 0.85 H new ATOM 0 HB2 LEU A 33 -7.695 -7.214 -3.417 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -9.097 -7.176 -4.468 1.00 0.74 H new ATOM 0 HG LEU A 33 -6.317 -8.119 -5.250 1.00 1.09 H new ATOM 0 HD11 LEU A 33 -7.451 -10.361 -5.344 1.00 1.73 H new ATOM 0 HD12 LEU A 33 -7.548 -9.653 -3.714 1.00 1.73 H new ATOM 0 HD13 LEU A 33 -8.963 -9.601 -4.792 1.00 1.73 H new ATOM 0 HD21 LEU A 33 -7.324 -8.924 -7.339 1.00 1.55 H new ATOM 0 HD22 LEU A 33 -8.866 -8.157 -6.889 1.00 1.55 H new ATOM 0 HD23 LEU A 33 -7.427 -7.153 -7.187 1.00 1.55 H new ATOM 502 N TYR A 34 -7.582 -4.410 -2.809 1.00 0.77 N ATOM 503 CA TYR A 34 -8.005 -3.381 -1.870 1.00 0.80 C ATOM 504 C TYR A 34 -6.792 -2.806 -1.152 1.00 0.84 C ATOM 505 O TYR A 34 -5.791 -3.506 -0.990 1.00 0.86 O ATOM 506 CB TYR A 34 -8.985 -3.964 -0.845 1.00 0.74 C ATOM 507 CG TYR A 34 -9.598 -2.945 0.098 1.00 0.76 C ATOM 508 CD1 TYR A 34 -10.256 -1.811 -0.413 1.00 1.52 C ATOM 509 CD2 TYR A 34 -9.443 -3.095 1.490 1.00 1.96 C ATOM 510 CE1 TYR A 34 -10.669 -0.787 0.456 1.00 1.64 C ATOM 511 CE2 TYR A 34 -9.913 -2.099 2.359 1.00 1.99 C ATOM 512 CZ TYR A 34 -10.473 -0.920 1.840 1.00 1.05 C ATOM 513 OH TYR A 34 -10.829 0.085 2.688 1.00 1.29 O ATOM 0 H TYR A 34 -6.769 -4.944 -2.503 1.00 0.77 H new ATOM 0 HA TYR A 34 -8.506 -2.587 -2.424 1.00 0.80 H new ATOM 0 HB2 TYR A 34 -9.787 -4.473 -1.379 1.00 0.74 H new ATOM 0 HB3 TYR A 34 -8.466 -4.719 -0.255 1.00 0.74 H new ATOM 0 HD1 TYR A 34 -10.444 -1.728 -1.473 1.00 1.52 H new ATOM 0 HD2 TYR A 34 -8.962 -3.976 1.888 1.00 1.96 H new ATOM 0 HE1 TYR A 34 -11.137 0.102 0.060 1.00 1.64 H new ATOM 0 HE2 TYR A 34 -9.844 -2.239 3.428 1.00 1.99 H new ATOM 0 HH TYR A 34 -10.624 -0.177 3.610 1.00 1.29 H new ATOM 523 N CYS A 35 -6.921 -1.550 -0.717 1.00 0.87 N ATOM 524 CA CYS A 35 -5.963 -0.812 0.084 1.00 0.89 C ATOM 525 C CYS A 35 -6.735 -0.060 1.170 1.00 0.85 C ATOM 526 O CYS A 35 -7.783 0.518 0.888 1.00 1.07 O ATOM 527 CB CYS A 35 -5.220 0.188 -0.799 1.00 0.96 C ATOM 528 SG CYS A 35 -4.206 1.230 0.276 1.00 2.82 S ATOM 0 H CYS A 35 -7.749 -0.995 -0.932 1.00 0.87 H new ATOM 0 HA CYS A 35 -5.239 -1.492 0.533 1.00 0.89 H new ATOM 0 HB2 CYS A 35 -4.596 -0.334 -1.525 1.00 0.96 H new ATOM 0 HB3 CYS A 35 -5.926 0.796 -1.365 1.00 0.96 H new ATOM 0 HG CYS A 35 -3.724 2.222 -0.411 1.00 2.82 H new ATOM 534 N SER A 36 -6.233 -0.078 2.406 1.00 0.81 N ATOM 535 CA SER A 36 -6.737 0.709 3.520 1.00 0.84 C ATOM 536 C SER A 36 -5.546 1.400 4.183 1.00 0.75 C ATOM 537 O SER A 36 -5.047 0.919 5.204 1.00 1.10 O ATOM 538 CB SER A 36 -7.500 -0.206 4.488 1.00 1.09 C ATOM 539 OG SER A 36 -7.674 0.398 5.755 1.00 2.02 O ATOM 0 H SER A 36 -5.437 -0.663 2.662 1.00 0.81 H new ATOM 0 HA SER A 36 -7.439 1.474 3.187 1.00 0.84 H new ATOM 0 HB2 SER A 36 -8.474 -0.451 4.065 1.00 1.09 H new ATOM 0 HB3 SER A 36 -6.958 -1.145 4.604 1.00 1.09 H new ATOM 0 HG SER A 36 -8.165 -0.213 6.344 1.00 2.02 H new ATOM 545 N VAL A 37 -5.120 2.530 3.614 1.00 0.59 N ATOM 546 CA VAL A 37 -4.108 3.406 4.193 1.00 0.58 C ATOM 547 C VAL A 37 -4.722 4.267 5.298 1.00 0.59 C ATOM 548 O VAL A 37 -5.847 4.744 5.159 1.00 0.75 O ATOM 549 CB VAL A 37 -3.464 4.315 3.131 1.00 0.72 C ATOM 550 CG1 VAL A 37 -2.236 3.677 2.486 1.00 1.61 C ATOM 551 CG2 VAL A 37 -4.444 4.751 2.040 1.00 1.80 C ATOM 0 H VAL A 37 -5.478 2.865 2.720 1.00 0.59 H new ATOM 0 HA VAL A 37 -3.329 2.770 4.613 1.00 0.58 H new ATOM 0 HB VAL A 37 -3.151 5.204 3.678 1.00 0.72 H new ATOM 0 HG11 VAL A 37 -1.819 4.358 1.744 1.00 1.61 H new ATOM 0 HG12 VAL A 37 -1.488 3.472 3.252 1.00 1.61 H new ATOM 0 HG13 VAL A 37 -2.523 2.744 2.001 1.00 1.61 H new ATOM 0 HG21 VAL A 37 -3.929 5.390 1.322 1.00 1.80 H new ATOM 0 HG22 VAL A 37 -4.834 3.871 1.528 1.00 1.80 H new ATOM 0 HG23 VAL A 37 -5.268 5.303 2.491 1.00 1.80 H new ATOM 561 N ALA A 38 -3.975 4.497 6.383 1.00 0.58 N ATOM 562 CA ALA A 38 -4.330 5.474 7.403 1.00 0.71 C ATOM 563 C ALA A 38 -3.079 5.935 8.146 1.00 0.64 C ATOM 564 O ALA A 38 -2.114 5.184 8.274 1.00 0.68 O ATOM 565 CB ALA A 38 -5.348 4.881 8.372 1.00 0.92 C ATOM 0 H ALA A 38 -3.103 4.004 6.574 1.00 0.58 H new ATOM 0 HA ALA A 38 -4.783 6.340 6.921 1.00 0.71 H new ATOM 0 HB1 ALA A 38 -5.604 5.622 9.129 1.00 0.92 H new ATOM 0 HB2 ALA A 38 -6.247 4.595 7.826 1.00 0.92 H new ATOM 0 HB3 ALA A 38 -4.921 4.002 8.855 1.00 0.92 H new ATOM 571 N LEU A 39 -3.111 7.172 8.643 1.00 0.79 N ATOM 572 CA LEU A 39 -1.942 7.910 9.123 1.00 0.74 C ATOM 573 C LEU A 39 -1.928 8.103 10.641 1.00 0.98 C ATOM 574 O LEU A 39 -0.897 8.469 11.196 1.00 1.32 O ATOM 575 CB LEU A 39 -1.764 9.233 8.355 1.00 0.97 C ATOM 576 CG LEU A 39 -2.991 10.155 8.235 1.00 0.78 C ATOM 577 CD1 LEU A 39 -3.550 10.621 9.584 1.00 1.36 C ATOM 578 CD2 LEU A 39 -2.583 11.392 7.427 1.00 1.19 C ATOM 0 H LEU A 39 -3.977 7.704 8.725 1.00 0.79 H new ATOM 0 HA LEU A 39 -1.072 7.289 8.910 1.00 0.74 H new ATOM 0 HB2 LEU A 39 -0.965 9.797 8.837 1.00 0.97 H new ATOM 0 HB3 LEU A 39 -1.423 8.994 7.348 1.00 0.97 H new ATOM 0 HG LEU A 39 -3.778 9.578 7.749 1.00 0.78 H new ATOM 0 HD11 LEU A 39 -4.412 11.266 9.417 1.00 1.36 H new ATOM 0 HD12 LEU A 39 -3.854 9.754 10.171 1.00 1.36 H new ATOM 0 HD13 LEU A 39 -2.782 11.174 10.125 1.00 1.36 H new ATOM 0 HD21 LEU A 39 -3.438 12.061 7.329 1.00 1.19 H new ATOM 0 HD22 LEU A 39 -1.773 11.911 7.940 1.00 1.19 H new ATOM 0 HD23 LEU A 39 -2.247 11.085 6.437 1.00 1.19 H new ATOM 590 N ALA A 40 -3.045 7.821 11.319 1.00 1.05 N ATOM 591 CA ALA A 40 -3.090 7.846 12.774 1.00 1.37 C ATOM 592 C ALA A 40 -2.234 6.699 13.307 1.00 1.43 C ATOM 593 O ALA A 40 -1.362 6.894 14.146 1.00 1.73 O ATOM 594 CB ALA A 40 -4.541 7.734 13.252 1.00 1.63 C ATOM 0 H ALA A 40 -3.930 7.573 10.876 1.00 1.05 H new ATOM 0 HA ALA A 40 -2.692 8.787 13.153 1.00 1.37 H new ATOM 0 HB1 ALA A 40 -4.568 7.753 14.342 1.00 1.63 H new ATOM 0 HB2 ALA A 40 -5.119 8.571 12.860 1.00 1.63 H new ATOM 0 HB3 ALA A 40 -4.970 6.798 12.895 1.00 1.63 H new ATOM 600 N THR A 41 -2.484 5.493 12.790 1.00 1.31 N ATOM 601 CA THR A 41 -1.680 4.320 13.098 1.00 1.37 C ATOM 602 C THR A 41 -0.385 4.300 12.282 1.00 1.40 C ATOM 603 O THR A 41 0.590 3.700 12.717 1.00 1.90 O ATOM 604 CB THR A 41 -2.501 3.055 12.835 1.00 1.38 C ATOM 605 OG1 THR A 41 -3.853 3.245 13.221 1.00 2.22 O ATOM 606 CG2 THR A 41 -1.938 1.843 13.584 1.00 2.03 C ATOM 0 H THR A 41 -3.253 5.308 12.145 1.00 1.31 H new ATOM 0 HA THR A 41 -1.401 4.358 14.151 1.00 1.37 H new ATOM 0 HB THR A 41 -2.445 2.861 11.764 1.00 1.38 H new ATOM 0 HG1 THR A 41 -4.003 2.836 14.099 1.00 2.22 H new ATOM 0 HG21 THR A 41 -2.550 0.967 13.370 1.00 2.03 H new ATOM 0 HG22 THR A 41 -0.914 1.659 13.260 1.00 2.03 H new ATOM 0 HG23 THR A 41 -1.949 2.040 14.656 1.00 2.03 H new ATOM 614 N ASN A 42 -0.409 4.893 11.079 1.00 0.96 N ATOM 615 CA ASN A 42 0.614 4.716 10.051 1.00 0.85 C ATOM 616 C ASN A 42 0.531 3.281 9.578 1.00 1.05 C ATOM 617 O ASN A 42 1.274 2.425 10.034 1.00 1.62 O ATOM 618 CB ASN A 42 2.026 5.118 10.517 1.00 0.88 C ATOM 619 CG ASN A 42 1.976 6.519 11.096 1.00 0.92 C ATOM 620 OD1 ASN A 42 1.481 7.455 10.297 1.00 1.66 O flip ATOM 621 ND2 ASN A 42 2.281 6.743 12.262 1.00 1.26 N flip ATOM 0 H ASN A 42 -1.159 5.522 10.793 1.00 0.96 H new ATOM 0 HA ASN A 42 0.420 5.394 9.220 1.00 0.85 H new ATOM 0 HB2 ASN A 42 2.390 4.414 11.266 1.00 0.88 H new ATOM 0 HB3 ASN A 42 2.723 5.081 9.680 1.00 0.88 H new ATOM 0 HD21 ASN A 42 2.659 5.995 12.843 1.00 1.26 H new ATOM 0 HD22 ASN A 42 2.157 7.678 12.651 1.00 1.26 H new ATOM 628 N LYS A 43 -0.432 2.999 8.707 1.00 0.82 N ATOM 629 CA LYS A 43 -0.685 1.658 8.228 1.00 0.93 C ATOM 630 C LYS A 43 -1.195 1.717 6.803 1.00 0.78 C ATOM 631 O LYS A 43 -1.751 2.730 6.381 1.00 0.71 O ATOM 632 CB LYS A 43 -1.698 0.940 9.125 1.00 1.22 C ATOM 633 CG LYS A 43 -3.023 1.710 9.204 1.00 2.01 C ATOM 634 CD LYS A 43 -3.917 1.081 10.275 1.00 2.58 C ATOM 635 CE LYS A 43 -5.087 2.005 10.622 1.00 2.97 C ATOM 636 NZ LYS A 43 -5.652 1.726 11.957 1.00 4.98 N ATOM 0 H LYS A 43 -1.058 3.702 8.316 1.00 0.82 H new ATOM 0 HA LYS A 43 0.248 1.094 8.255 1.00 0.93 H new ATOM 0 HB2 LYS A 43 -1.881 -0.063 8.739 1.00 1.22 H new ATOM 0 HB3 LYS A 43 -1.282 0.825 10.126 1.00 1.22 H new ATOM 0 HG2 LYS A 43 -2.834 2.757 9.442 1.00 2.01 H new ATOM 0 HG3 LYS A 43 -3.526 1.689 8.237 1.00 2.01 H new ATOM 0 HD2 LYS A 43 -4.298 0.123 9.920 1.00 2.58 H new ATOM 0 HD3 LYS A 43 -3.330 0.878 11.171 1.00 2.58 H new ATOM 0 HE2 LYS A 43 -4.751 3.041 10.583 1.00 2.97 H new ATOM 0 HE3 LYS A 43 -5.868 1.894 9.870 1.00 2.97 H new ATOM 0 HZ1 LYS A 43 -6.648 2.024 11.982 1.00 4.98 H new ATOM 0 HZ2 LYS A 43 -5.591 0.707 12.154 1.00 4.98 H new ATOM 0 HZ3 LYS A 43 -5.116 2.250 12.677 1.00 4.98 H new ATOM 650 N ALA A 44 -1.047 0.592 6.119 1.00 0.86 N ATOM 651 CA ALA A 44 -1.716 0.240 4.889 1.00 0.80 C ATOM 652 C ALA A 44 -1.926 -1.262 4.924 1.00 0.88 C ATOM 653 O ALA A 44 -0.955 -2.012 4.822 1.00 1.03 O ATOM 654 CB ALA A 44 -0.897 0.667 3.673 1.00 0.82 C ATOM 0 H ALA A 44 -0.414 -0.143 6.435 1.00 0.86 H new ATOM 0 HA ALA A 44 -2.671 0.758 4.802 1.00 0.80 H new ATOM 0 HB1 ALA A 44 -1.426 0.389 2.762 1.00 0.82 H new ATOM 0 HB2 ALA A 44 -0.752 1.747 3.693 1.00 0.82 H new ATOM 0 HB3 ALA A 44 0.073 0.170 3.695 1.00 0.82 H new ATOM 660 N HIS A 45 -3.179 -1.689 5.093 1.00 0.90 N ATOM 661 CA HIS A 45 -3.551 -3.058 4.809 1.00 0.92 C ATOM 662 C HIS A 45 -3.874 -3.072 3.323 1.00 0.91 C ATOM 663 O HIS A 45 -4.786 -2.365 2.896 1.00 0.96 O ATOM 664 CB HIS A 45 -4.744 -3.490 5.667 1.00 0.95 C ATOM 665 CG HIS A 45 -5.181 -4.908 5.392 1.00 0.90 C ATOM 666 ND1 HIS A 45 -4.969 -5.997 6.207 1.00 1.13 N ATOM 667 CD2 HIS A 45 -5.827 -5.353 4.269 1.00 0.81 C ATOM 668 CE1 HIS A 45 -5.476 -7.073 5.581 1.00 1.18 C ATOM 669 NE2 HIS A 45 -6.016 -6.732 4.396 1.00 0.95 N ATOM 0 H HIS A 45 -3.944 -1.101 5.424 1.00 0.90 H new ATOM 0 HA HIS A 45 -2.757 -3.766 5.048 1.00 0.92 H new ATOM 0 HB2 HIS A 45 -4.481 -3.394 6.721 1.00 0.95 H new ATOM 0 HB3 HIS A 45 -5.580 -2.815 5.484 1.00 0.95 H new ATOM 0 HD1 HIS A 45 -4.511 -5.989 7.118 1.00 1.13 H new ATOM 0 HD2 HIS A 45 -6.136 -4.745 3.432 1.00 0.81 H new ATOM 0 HE1 HIS A 45 -5.453 -8.078 5.976 1.00 1.18 H new ATOM 677 N ILE A 46 -3.112 -3.832 2.546 1.00 0.92 N ATOM 678 CA ILE A 46 -3.373 -4.111 1.151 1.00 0.92 C ATOM 679 C ILE A 46 -3.787 -5.575 1.105 1.00 0.99 C ATOM 680 O ILE A 46 -3.284 -6.380 1.890 1.00 1.29 O ATOM 681 CB ILE A 46 -2.117 -3.842 0.293 1.00 0.95 C ATOM 682 CG1 ILE A 46 -1.942 -2.352 -0.041 1.00 1.27 C ATOM 683 CG2 ILE A 46 -2.177 -4.579 -1.054 1.00 1.59 C ATOM 684 CD1 ILE A 46 -1.612 -1.476 1.163 1.00 1.89 C ATOM 0 H ILE A 46 -2.265 -4.285 2.889 1.00 0.92 H new ATOM 0 HA ILE A 46 -4.153 -3.468 0.742 1.00 0.92 H new ATOM 0 HB ILE A 46 -1.285 -4.198 0.900 1.00 0.95 H new ATOM 0 HG12 ILE A 46 -1.148 -2.248 -0.780 1.00 1.27 H new ATOM 0 HG13 ILE A 46 -2.858 -1.985 -0.503 1.00 1.27 H new ATOM 0 HG21 ILE A 46 -1.275 -4.363 -1.627 1.00 1.59 H new ATOM 0 HG22 ILE A 46 -2.248 -5.652 -0.879 1.00 1.59 H new ATOM 0 HG23 ILE A 46 -3.051 -4.245 -1.613 1.00 1.59 H new ATOM 0 HD11 ILE A 46 -1.505 -0.440 0.841 1.00 1.89 H new ATOM 0 HD12 ILE A 46 -2.416 -1.547 1.896 1.00 1.89 H new ATOM 0 HD13 ILE A 46 -0.679 -1.814 1.614 1.00 1.89 H new ATOM 696 N LYS A 47 -4.661 -5.927 0.162 1.00 0.87 N ATOM 697 CA LYS A 47 -4.756 -7.299 -0.302 1.00 1.03 C ATOM 698 C LYS A 47 -4.694 -7.305 -1.821 1.00 0.85 C ATOM 699 O LYS A 47 -5.206 -6.385 -2.468 1.00 0.90 O ATOM 700 CB LYS A 47 -5.973 -8.037 0.257 1.00 1.60 C ATOM 701 CG LYS A 47 -7.145 -7.130 0.618 1.00 0.58 C ATOM 702 CD LYS A 47 -8.429 -7.937 0.874 1.00 1.12 C ATOM 703 CE LYS A 47 -8.298 -8.986 1.994 1.00 1.45 C ATOM 704 NZ LYS A 47 -7.769 -10.288 1.523 1.00 2.36 N ATOM 0 H LYS A 47 -5.308 -5.280 -0.290 1.00 0.87 H new ATOM 0 HA LYS A 47 -3.907 -7.863 0.084 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -6.308 -8.769 -0.477 1.00 1.60 H new ATOM 0 HB3 LYS A 47 -5.671 -8.592 1.145 1.00 1.60 H new ATOM 0 HG2 LYS A 47 -6.896 -6.550 1.507 1.00 0.58 H new ATOM 0 HG3 LYS A 47 -7.317 -6.418 -0.190 1.00 0.58 H new ATOM 0 HD2 LYS A 47 -9.234 -7.248 1.128 1.00 1.12 H new ATOM 0 HD3 LYS A 47 -8.720 -8.440 -0.048 1.00 1.12 H new ATOM 0 HE2 LYS A 47 -7.642 -8.596 2.772 1.00 1.45 H new ATOM 0 HE3 LYS A 47 -9.275 -9.143 2.450 1.00 1.45 H new ATOM 0 HZ1 LYS A 47 -7.785 -10.973 2.305 1.00 2.36 H new ATOM 0 HZ2 LYS A 47 -8.359 -10.640 0.742 1.00 2.36 H new ATOM 0 HZ3 LYS A 47 -6.791 -10.166 1.190 1.00 2.36 H new ATOM 718 N TYR A 48 -3.999 -8.304 -2.365 1.00 0.87 N ATOM 719 CA TYR A 48 -3.517 -8.315 -3.734 1.00 0.83 C ATOM 720 C TYR A 48 -3.354 -9.756 -4.196 1.00 0.85 C ATOM 721 O TYR A 48 -3.127 -10.637 -3.369 1.00 0.99 O ATOM 722 CB TYR A 48 -2.178 -7.561 -3.807 1.00 0.83 C ATOM 723 CG TYR A 48 -1.002 -8.258 -3.142 1.00 0.80 C ATOM 724 CD1 TYR A 48 -0.928 -8.367 -1.740 1.00 2.31 C ATOM 725 CD2 TYR A 48 0.002 -8.851 -3.931 1.00 2.05 C ATOM 726 CE1 TYR A 48 0.081 -9.142 -1.143 1.00 2.32 C ATOM 727 CE2 TYR A 48 1.080 -9.514 -3.325 1.00 2.11 C ATOM 728 CZ TYR A 48 1.091 -9.709 -1.935 1.00 1.00 C ATOM 729 OH TYR A 48 2.078 -10.455 -1.364 1.00 1.15 O ATOM 0 H TYR A 48 -3.753 -9.147 -1.847 1.00 0.87 H new ATOM 0 HA TYR A 48 -4.232 -7.818 -4.390 1.00 0.83 H new ATOM 0 HB2 TYR A 48 -1.933 -7.391 -4.855 1.00 0.83 H new ATOM 0 HB3 TYR A 48 -2.306 -6.581 -3.346 1.00 0.83 H new ATOM 0 HD1 TYR A 48 -1.649 -7.853 -1.121 1.00 2.31 H new ATOM 0 HD2 TYR A 48 -0.058 -8.795 -5.008 1.00 2.05 H new ATOM 0 HE1 TYR A 48 0.079 -9.301 -0.075 1.00 2.32 H new ATOM 0 HE2 TYR A 48 1.901 -9.874 -3.928 1.00 2.11 H new ATOM 0 HH TYR A 48 2.636 -10.852 -2.065 1.00 1.15 H new ATOM 739 N ASP A 49 -3.445 -9.993 -5.505 1.00 0.84 N ATOM 740 CA ASP A 49 -3.161 -11.306 -6.073 1.00 0.90 C ATOM 741 C ASP A 49 -1.646 -11.397 -6.301 1.00 0.86 C ATOM 742 O ASP A 49 -1.127 -10.643 -7.127 1.00 0.87 O ATOM 743 CB ASP A 49 -3.958 -11.515 -7.374 1.00 1.03 C ATOM 744 CG ASP A 49 -5.353 -12.084 -7.158 1.00 2.19 C ATOM 745 OD1 ASP A 49 -5.717 -12.404 -6.004 1.00 3.52 O ATOM 746 OD2 ASP A 49 -6.089 -12.275 -8.152 1.00 3.02 O ATOM 0 H ASP A 49 -3.714 -9.289 -6.192 1.00 0.84 H new ATOM 0 HA ASP A 49 -3.470 -12.100 -5.393 1.00 0.90 H new ATOM 0 HB2 ASP A 49 -4.042 -10.561 -7.894 1.00 1.03 H new ATOM 0 HB3 ASP A 49 -3.400 -12.186 -8.027 1.00 1.03 H new ATOM 751 N PRO A 50 -0.918 -12.282 -5.589 1.00 0.93 N ATOM 752 CA PRO A 50 0.542 -12.317 -5.575 1.00 0.96 C ATOM 753 C PRO A 50 1.107 -13.007 -6.824 1.00 1.22 C ATOM 754 O PRO A 50 1.919 -13.924 -6.729 1.00 2.09 O ATOM 755 CB PRO A 50 0.896 -13.061 -4.280 1.00 1.10 C ATOM 756 CG PRO A 50 -0.240 -14.075 -4.170 1.00 1.21 C ATOM 757 CD PRO A 50 -1.441 -13.259 -4.644 1.00 1.07 C ATOM 0 HA PRO A 50 0.981 -11.320 -5.597 1.00 0.96 H new ATOM 0 HB2 PRO A 50 1.870 -13.546 -4.342 1.00 1.10 H new ATOM 0 HB3 PRO A 50 0.928 -12.391 -3.421 1.00 1.10 H new ATOM 0 HG2 PRO A 50 -0.068 -14.950 -4.797 1.00 1.21 H new ATOM 0 HG3 PRO A 50 -0.368 -14.435 -3.149 1.00 1.21 H new ATOM 0 HD2 PRO A 50 -2.185 -13.900 -5.117 1.00 1.07 H new ATOM 0 HD3 PRO A 50 -1.932 -12.766 -3.805 1.00 1.07 H new ATOM 765 N GLU A 51 0.670 -12.547 -7.997 1.00 0.98 N ATOM 766 CA GLU A 51 1.028 -13.065 -9.307 1.00 1.04 C ATOM 767 C GLU A 51 1.089 -11.868 -10.256 1.00 1.03 C ATOM 768 O GLU A 51 2.122 -11.560 -10.842 1.00 1.60 O ATOM 769 CB GLU A 51 -0.033 -14.078 -9.778 1.00 1.17 C ATOM 770 CG GLU A 51 -0.210 -15.271 -8.832 1.00 2.02 C ATOM 771 CD GLU A 51 -1.308 -16.198 -9.333 1.00 2.07 C ATOM 772 OE1 GLU A 51 -2.468 -15.733 -9.337 1.00 2.67 O ATOM 773 OE2 GLU A 51 -0.967 -17.338 -9.712 1.00 2.82 O ATOM 0 H GLU A 51 0.023 -11.761 -8.056 1.00 0.98 H new ATOM 0 HA GLU A 51 1.987 -13.582 -9.280 1.00 1.04 H new ATOM 0 HB2 GLU A 51 -0.989 -13.566 -9.885 1.00 1.17 H new ATOM 0 HB3 GLU A 51 0.243 -14.447 -10.766 1.00 1.17 H new ATOM 0 HG2 GLU A 51 0.728 -15.820 -8.752 1.00 2.02 H new ATOM 0 HG3 GLU A 51 -0.457 -14.915 -7.832 1.00 2.02 H new ATOM 780 N ILE A 52 -0.050 -11.182 -10.372 1.00 0.70 N ATOM 781 CA ILE A 52 -0.239 -10.006 -11.206 1.00 0.72 C ATOM 782 C ILE A 52 0.464 -8.772 -10.626 1.00 0.67 C ATOM 783 O ILE A 52 0.814 -7.868 -11.381 1.00 0.84 O ATOM 784 CB ILE A 52 -1.745 -9.799 -11.453 1.00 0.83 C ATOM 785 CG1 ILE A 52 -1.997 -8.605 -12.390 1.00 1.77 C ATOM 786 CG2 ILE A 52 -2.527 -9.654 -10.140 1.00 2.21 C ATOM 787 CD1 ILE A 52 -3.421 -8.597 -12.952 1.00 2.37 C ATOM 0 H ILE A 52 -0.895 -11.445 -9.866 1.00 0.70 H new ATOM 0 HA ILE A 52 0.237 -10.165 -12.173 1.00 0.72 H new ATOM 0 HB ILE A 52 -2.116 -10.696 -11.949 1.00 0.83 H new ATOM 0 HG12 ILE A 52 -1.818 -7.677 -11.848 1.00 1.77 H new ATOM 0 HG13 ILE A 52 -1.284 -8.636 -13.214 1.00 1.77 H new ATOM 0 HG21 ILE A 52 -3.585 -9.510 -10.360 1.00 2.21 H new ATOM 0 HG22 ILE A 52 -2.401 -10.555 -9.540 1.00 2.21 H new ATOM 0 HG23 ILE A 52 -2.151 -8.794 -9.586 1.00 2.21 H new ATOM 0 HD11 ILE A 52 -3.549 -7.735 -13.607 1.00 2.37 H new ATOM 0 HD12 ILE A 52 -3.594 -9.512 -13.518 1.00 2.37 H new ATOM 0 HD13 ILE A 52 -4.136 -8.538 -12.131 1.00 2.37 H new ATOM 799 N ILE A 53 0.685 -8.719 -9.307 1.00 0.62 N ATOM 800 CA ILE A 53 1.477 -7.681 -8.676 1.00 0.67 C ATOM 801 C ILE A 53 2.196 -8.332 -7.499 1.00 0.74 C ATOM 802 O ILE A 53 1.637 -9.216 -6.852 1.00 1.21 O ATOM 803 CB ILE A 53 0.576 -6.495 -8.267 1.00 0.70 C ATOM 804 CG1 ILE A 53 1.402 -5.212 -8.122 1.00 1.46 C ATOM 805 CG2 ILE A 53 -0.178 -6.745 -6.955 1.00 0.95 C ATOM 806 CD1 ILE A 53 0.524 -3.959 -8.110 1.00 1.06 C ATOM 0 H ILE A 53 0.312 -9.405 -8.651 1.00 0.62 H new ATOM 0 HA ILE A 53 2.219 -7.259 -9.354 1.00 0.67 H new ATOM 0 HB ILE A 53 -0.158 -6.386 -9.065 1.00 0.70 H new ATOM 0 HG12 ILE A 53 1.981 -5.257 -7.200 1.00 1.46 H new ATOM 0 HG13 ILE A 53 2.115 -5.146 -8.943 1.00 1.46 H new ATOM 0 HG21 ILE A 53 -0.794 -5.878 -6.719 1.00 0.95 H new ATOM 0 HG22 ILE A 53 -0.814 -7.624 -7.063 1.00 0.95 H new ATOM 0 HG23 ILE A 53 0.538 -6.911 -6.150 1.00 0.95 H new ATOM 0 HD11 ILE A 53 1.153 -3.075 -8.005 1.00 1.06 H new ATOM 0 HD12 ILE A 53 -0.036 -3.898 -9.043 1.00 1.06 H new ATOM 0 HD13 ILE A 53 -0.172 -4.010 -7.273 1.00 1.06 H new ATOM 818 N GLY A 54 3.434 -7.927 -7.240 1.00 0.84 N ATOM 819 CA GLY A 54 4.207 -8.352 -6.088 1.00 0.92 C ATOM 820 C GLY A 54 4.161 -7.285 -4.993 1.00 0.84 C ATOM 821 O GLY A 54 3.872 -6.116 -5.265 1.00 0.83 O ATOM 0 H GLY A 54 3.937 -7.277 -7.844 1.00 0.84 H new ATOM 0 HA2 GLY A 54 3.813 -9.293 -5.705 1.00 0.92 H new ATOM 0 HA3 GLY A 54 5.240 -8.536 -6.383 1.00 0.92 H new ATOM 825 N PRO A 55 4.494 -7.652 -3.745 1.00 0.90 N ATOM 826 CA PRO A 55 4.593 -6.699 -2.650 1.00 0.92 C ATOM 827 C PRO A 55 5.587 -5.594 -3.006 1.00 0.80 C ATOM 828 O PRO A 55 5.336 -4.416 -2.756 1.00 0.85 O ATOM 829 CB PRO A 55 5.023 -7.516 -1.428 1.00 1.09 C ATOM 830 CG PRO A 55 5.719 -8.741 -2.023 1.00 1.11 C ATOM 831 CD PRO A 55 4.961 -8.967 -3.332 1.00 1.05 C ATOM 0 HA PRO A 55 3.651 -6.191 -2.445 1.00 0.92 H new ATOM 0 HB2 PRO A 55 5.696 -6.948 -0.786 1.00 1.09 H new ATOM 0 HB3 PRO A 55 4.166 -7.802 -0.818 1.00 1.09 H new ATOM 0 HG2 PRO A 55 6.779 -8.558 -2.197 1.00 1.11 H new ATOM 0 HG3 PRO A 55 5.649 -9.605 -1.362 1.00 1.11 H new ATOM 0 HD2 PRO A 55 5.609 -9.409 -4.089 1.00 1.05 H new ATOM 0 HD3 PRO A 55 4.126 -9.652 -3.188 1.00 1.05 H new ATOM 839 N ARG A 56 6.711 -5.969 -3.629 1.00 0.72 N ATOM 840 CA ARG A 56 7.723 -5.010 -4.034 1.00 0.75 C ATOM 841 C ARG A 56 7.144 -3.926 -4.940 1.00 0.68 C ATOM 842 O ARG A 56 7.596 -2.788 -4.842 1.00 0.70 O ATOM 843 CB ARG A 56 8.926 -5.712 -4.691 1.00 0.90 C ATOM 844 CG ARG A 56 10.092 -4.753 -4.999 1.00 1.77 C ATOM 845 CD ARG A 56 10.778 -4.239 -3.722 1.00 3.02 C ATOM 846 NE ARG A 56 11.592 -3.033 -3.950 1.00 3.93 N ATOM 847 CZ ARG A 56 11.130 -1.776 -3.813 1.00 5.09 C ATOM 848 NH1 ARG A 56 9.827 -1.513 -3.918 1.00 5.87 N ATOM 849 NH2 ARG A 56 11.973 -0.775 -3.544 1.00 6.11 N ATOM 0 H ARG A 56 6.935 -6.937 -3.860 1.00 0.72 H new ATOM 0 HA ARG A 56 8.082 -4.515 -3.132 1.00 0.75 H new ATOM 0 HB2 ARG A 56 9.280 -6.505 -4.032 1.00 0.90 H new ATOM 0 HB3 ARG A 56 8.601 -6.188 -5.616 1.00 0.90 H new ATOM 0 HG2 ARG A 56 10.826 -5.265 -5.622 1.00 1.77 H new ATOM 0 HG3 ARG A 56 9.720 -3.906 -5.575 1.00 1.77 H new ATOM 0 HD2 ARG A 56 10.019 -4.021 -2.971 1.00 3.02 H new ATOM 0 HD3 ARG A 56 11.412 -5.027 -3.315 1.00 3.02 H new ATOM 0 HE ARG A 56 12.565 -3.158 -4.229 1.00 3.93 H new ATOM 0 HH11 ARG A 56 9.168 -2.269 -4.104 1.00 5.87 H new ATOM 0 HH12 ARG A 56 9.490 -0.556 -3.812 1.00 5.87 H new ATOM 0 HH21 ARG A 56 12.971 -0.962 -3.442 1.00 6.11 H new ATOM 0 HH22 ARG A 56 11.619 0.176 -3.441 1.00 6.11 H new ATOM 863 N ASP A 57 6.190 -4.264 -5.813 1.00 0.66 N ATOM 864 CA ASP A 57 5.602 -3.329 -6.766 1.00 0.61 C ATOM 865 C ASP A 57 4.711 -2.327 -6.034 1.00 0.51 C ATOM 866 O ASP A 57 4.820 -1.119 -6.239 1.00 0.53 O ATOM 867 CB ASP A 57 4.787 -4.078 -7.823 1.00 0.66 C ATOM 868 CG ASP A 57 5.567 -5.162 -8.546 1.00 1.25 C ATOM 869 OD1 ASP A 57 6.716 -4.877 -8.944 1.00 2.19 O ATOM 870 OD2 ASP A 57 4.995 -6.268 -8.662 1.00 2.03 O ATOM 0 H ASP A 57 5.803 -5.206 -5.875 1.00 0.66 H new ATOM 0 HA ASP A 57 6.408 -2.792 -7.266 1.00 0.61 H new ATOM 0 HB2 ASP A 57 3.916 -4.527 -7.345 1.00 0.66 H new ATOM 0 HB3 ASP A 57 4.415 -3.362 -8.555 1.00 0.66 H new ATOM 875 N ILE A 58 3.834 -2.827 -5.155 1.00 0.48 N ATOM 876 CA ILE A 58 3.048 -1.977 -4.262 1.00 0.48 C ATOM 877 C ILE A 58 3.999 -0.998 -3.575 1.00 0.45 C ATOM 878 O ILE A 58 3.849 0.220 -3.680 1.00 0.43 O ATOM 879 CB ILE A 58 2.295 -2.844 -3.235 1.00 0.55 C ATOM 880 CG1 ILE A 58 1.138 -3.600 -3.902 1.00 0.64 C ATOM 881 CG2 ILE A 58 1.743 -2.021 -2.059 1.00 0.64 C ATOM 882 CD1 ILE A 58 0.963 -4.977 -3.271 1.00 0.81 C ATOM 0 H ILE A 58 3.652 -3.825 -5.045 1.00 0.48 H new ATOM 0 HA ILE A 58 2.301 -1.417 -4.824 1.00 0.48 H new ATOM 0 HB ILE A 58 3.025 -3.552 -2.842 1.00 0.55 H new ATOM 0 HG12 ILE A 58 0.216 -3.028 -3.801 1.00 0.64 H new ATOM 0 HG13 ILE A 58 1.332 -3.705 -4.969 1.00 0.64 H new ATOM 0 HG21 ILE A 58 1.222 -2.681 -1.366 1.00 0.64 H new ATOM 0 HG22 ILE A 58 2.566 -1.528 -1.542 1.00 0.64 H new ATOM 0 HG23 ILE A 58 1.049 -1.269 -2.435 1.00 0.64 H new ATOM 0 HD11 ILE A 58 0.138 -5.498 -3.757 1.00 0.81 H new ATOM 0 HD12 ILE A 58 1.880 -5.553 -3.395 1.00 0.81 H new ATOM 0 HD13 ILE A 58 0.746 -4.865 -2.209 1.00 0.81 H new ATOM 894 N ILE A 59 5.008 -1.545 -2.898 1.00 0.49 N ATOM 895 CA ILE A 59 5.990 -0.746 -2.190 1.00 0.54 C ATOM 896 C ILE A 59 6.649 0.252 -3.154 1.00 0.49 C ATOM 897 O ILE A 59 6.776 1.425 -2.823 1.00 0.47 O ATOM 898 CB ILE A 59 6.973 -1.680 -1.471 1.00 0.67 C ATOM 899 CG1 ILE A 59 6.230 -2.467 -0.374 1.00 0.81 C ATOM 900 CG2 ILE A 59 8.107 -0.878 -0.835 1.00 0.80 C ATOM 901 CD1 ILE A 59 6.998 -3.728 0.014 1.00 1.01 C ATOM 0 H ILE A 59 5.162 -2.551 -2.829 1.00 0.49 H new ATOM 0 HA ILE A 59 5.521 -0.137 -1.417 1.00 0.54 H new ATOM 0 HB ILE A 59 7.394 -2.370 -2.202 1.00 0.67 H new ATOM 0 HG12 ILE A 59 6.096 -1.835 0.504 1.00 0.81 H new ATOM 0 HG13 ILE A 59 5.235 -2.738 -0.727 1.00 0.81 H new ATOM 0 HG21 ILE A 59 8.794 -1.557 -0.330 1.00 0.80 H new ATOM 0 HG22 ILE A 59 8.643 -0.329 -1.609 1.00 0.80 H new ATOM 0 HG23 ILE A 59 7.694 -0.175 -0.112 1.00 0.80 H new ATOM 0 HD11 ILE A 59 6.450 -4.263 0.790 1.00 1.01 H new ATOM 0 HD12 ILE A 59 7.109 -4.370 -0.860 1.00 1.01 H new ATOM 0 HD13 ILE A 59 7.983 -3.453 0.390 1.00 1.01 H new ATOM 913 N HIS A 60 7.001 -0.185 -4.367 1.00 0.54 N ATOM 914 CA HIS A 60 7.561 0.677 -5.398 1.00 0.57 C ATOM 915 C HIS A 60 6.635 1.846 -5.709 1.00 0.50 C ATOM 916 O HIS A 60 7.111 2.962 -5.908 1.00 0.50 O ATOM 917 CB HIS A 60 7.912 -0.115 -6.662 1.00 0.72 C ATOM 918 CG HIS A 60 8.773 0.675 -7.612 1.00 1.64 C ATOM 919 ND1 HIS A 60 8.338 1.635 -8.497 1.00 3.31 N ATOM 920 CD2 HIS A 60 10.139 0.629 -7.683 1.00 2.26 C ATOM 921 CE1 HIS A 60 9.426 2.147 -9.098 1.00 4.34 C ATOM 922 NE2 HIS A 60 10.546 1.566 -8.639 1.00 3.78 N ATOM 0 H HIS A 60 6.902 -1.158 -4.658 1.00 0.54 H new ATOM 0 HA HIS A 60 8.490 1.093 -5.008 1.00 0.57 H new ATOM 0 HB2 HIS A 60 8.431 -1.031 -6.381 1.00 0.72 H new ATOM 0 HB3 HIS A 60 6.994 -0.412 -7.169 1.00 0.72 H new ATOM 0 HD2 HIS A 60 10.786 -0.014 -7.105 1.00 2.26 H new ATOM 0 HE1 HIS A 60 9.402 2.922 -9.850 1.00 4.34 H new ATOM 0 HE2 HIS A 60 11.503 1.768 -8.929 1.00 3.78 H new ATOM 930 N THR A 61 5.321 1.617 -5.770 1.00 0.48 N ATOM 931 CA THR A 61 4.411 2.725 -6.054 1.00 0.48 C ATOM 932 C THR A 61 4.410 3.698 -4.866 1.00 0.46 C ATOM 933 O THR A 61 4.519 4.911 -5.044 1.00 0.54 O ATOM 934 CB THR A 61 3.027 2.227 -6.526 1.00 0.59 C ATOM 935 OG1 THR A 61 2.627 2.984 -7.651 1.00 2.10 O ATOM 936 CG2 THR A 61 1.907 2.325 -5.490 1.00 1.59 C ATOM 0 H THR A 61 4.877 0.709 -5.632 1.00 0.48 H new ATOM 0 HA THR A 61 4.765 3.302 -6.909 1.00 0.48 H new ATOM 0 HB THR A 61 3.164 1.167 -6.741 1.00 0.59 H new ATOM 0 HG1 THR A 61 1.798 2.612 -8.018 1.00 2.10 H new ATOM 0 HG21 THR A 61 0.979 1.950 -5.921 1.00 1.59 H new ATOM 0 HG22 THR A 61 2.167 1.729 -4.615 1.00 1.59 H new ATOM 0 HG23 THR A 61 1.775 3.366 -5.194 1.00 1.59 H new ATOM 944 N ILE A 62 4.354 3.156 -3.645 1.00 0.40 N ATOM 945 CA ILE A 62 4.465 3.911 -2.397 1.00 0.41 C ATOM 946 C ILE A 62 5.725 4.807 -2.400 1.00 0.45 C ATOM 947 O ILE A 62 5.625 6.020 -2.176 1.00 0.52 O ATOM 948 CB ILE A 62 4.362 2.909 -1.220 1.00 0.37 C ATOM 949 CG1 ILE A 62 2.926 2.761 -0.688 1.00 0.58 C ATOM 950 CG2 ILE A 62 5.274 3.248 -0.039 1.00 0.64 C ATOM 951 CD1 ILE A 62 1.905 2.333 -1.742 1.00 1.76 C ATOM 0 H ILE A 62 4.227 2.155 -3.496 1.00 0.40 H new ATOM 0 HA ILE A 62 3.646 4.621 -2.281 1.00 0.41 H new ATOM 0 HB ILE A 62 4.693 1.967 -1.657 1.00 0.37 H new ATOM 0 HG12 ILE A 62 2.924 2.030 0.120 1.00 0.58 H new ATOM 0 HG13 ILE A 62 2.610 3.712 -0.259 1.00 0.58 H new ATOM 0 HG21 ILE A 62 5.146 2.502 0.745 1.00 0.64 H new ATOM 0 HG22 ILE A 62 6.312 3.252 -0.371 1.00 0.64 H new ATOM 0 HG23 ILE A 62 5.014 4.232 0.351 1.00 0.64 H new ATOM 0 HD11 ILE A 62 0.920 2.253 -1.283 1.00 1.76 H new ATOM 0 HD12 ILE A 62 1.874 3.074 -2.540 1.00 1.76 H new ATOM 0 HD13 ILE A 62 2.192 1.366 -2.156 1.00 1.76 H new ATOM 963 N GLU A 63 6.893 4.222 -2.693 1.00 0.46 N ATOM 964 CA GLU A 63 8.163 4.928 -2.825 1.00 0.60 C ATOM 965 C GLU A 63 8.053 6.006 -3.904 1.00 0.59 C ATOM 966 O GLU A 63 8.335 7.174 -3.651 1.00 0.68 O ATOM 967 CB GLU A 63 9.280 3.933 -3.183 1.00 0.76 C ATOM 968 CG GLU A 63 9.655 3.000 -2.022 1.00 0.82 C ATOM 969 CD GLU A 63 10.509 1.842 -2.516 1.00 0.88 C ATOM 970 OE1 GLU A 63 9.972 0.980 -3.237 1.00 1.94 O ATOM 971 OE2 GLU A 63 11.715 1.762 -2.216 1.00 1.78 O ATOM 0 H GLU A 63 6.978 3.217 -2.848 1.00 0.46 H new ATOM 0 HA GLU A 63 8.405 5.405 -1.875 1.00 0.60 H new ATOM 0 HB2 GLU A 63 8.963 3.332 -4.035 1.00 0.76 H new ATOM 0 HB3 GLU A 63 10.165 4.487 -3.495 1.00 0.76 H new ATOM 0 HG2 GLU A 63 10.198 3.560 -1.260 1.00 0.82 H new ATOM 0 HG3 GLU A 63 8.750 2.616 -1.551 1.00 0.82 H new ATOM 978 N SER A 64 7.656 5.594 -5.112 1.00 0.55 N ATOM 979 CA SER A 64 7.580 6.451 -6.286 1.00 0.63 C ATOM 980 C SER A 64 6.742 7.697 -5.997 1.00 0.58 C ATOM 981 O SER A 64 7.132 8.800 -6.370 1.00 0.69 O ATOM 982 CB SER A 64 7.030 5.650 -7.474 1.00 0.71 C ATOM 983 OG SER A 64 7.065 6.404 -8.669 1.00 1.34 O ATOM 0 H SER A 64 7.373 4.632 -5.299 1.00 0.55 H new ATOM 0 HA SER A 64 8.580 6.798 -6.545 1.00 0.63 H new ATOM 0 HB2 SER A 64 7.614 4.738 -7.601 1.00 0.71 H new ATOM 0 HB3 SER A 64 6.005 5.345 -7.265 1.00 0.71 H new ATOM 0 HG SER A 64 6.710 5.865 -9.406 1.00 1.34 H new ATOM 989 N LEU A 65 5.602 7.528 -5.319 1.00 0.58 N ATOM 990 CA LEU A 65 4.805 8.659 -4.878 1.00 0.59 C ATOM 991 C LEU A 65 5.598 9.514 -3.892 1.00 0.67 C ATOM 992 O LEU A 65 5.837 10.692 -4.155 1.00 1.04 O ATOM 993 CB LEU A 65 3.495 8.181 -4.238 1.00 0.66 C ATOM 994 CG LEU A 65 2.505 7.588 -5.248 1.00 0.76 C ATOM 995 CD1 LEU A 65 1.424 6.831 -4.475 1.00 2.12 C ATOM 996 CD2 LEU A 65 1.851 8.666 -6.121 1.00 1.57 C ATOM 0 H LEU A 65 5.218 6.617 -5.068 1.00 0.58 H new ATOM 0 HA LEU A 65 4.559 9.267 -5.748 1.00 0.59 H new ATOM 0 HB2 LEU A 65 3.722 7.431 -3.480 1.00 0.66 H new ATOM 0 HB3 LEU A 65 3.022 9.019 -3.726 1.00 0.66 H new ATOM 0 HG LEU A 65 3.052 6.921 -5.915 1.00 0.76 H new ATOM 0 HD11 LEU A 65 0.709 6.401 -5.176 1.00 2.12 H new ATOM 0 HD12 LEU A 65 1.885 6.034 -3.892 1.00 2.12 H new ATOM 0 HD13 LEU A 65 0.907 7.518 -3.805 1.00 2.12 H new ATOM 0 HD21 LEU A 65 1.158 8.197 -6.820 1.00 1.57 H new ATOM 0 HD22 LEU A 65 1.308 9.367 -5.487 1.00 1.57 H new ATOM 0 HD23 LEU A 65 2.621 9.201 -6.677 1.00 1.57 H new ATOM 1008 N GLY A 66 5.906 8.969 -2.713 1.00 0.71 N ATOM 1009 CA GLY A 66 6.629 9.746 -1.710 1.00 0.78 C ATOM 1010 C GLY A 66 7.335 8.975 -0.593 1.00 0.80 C ATOM 1011 O GLY A 66 8.183 9.555 0.085 1.00 1.31 O ATOM 0 H GLY A 66 5.672 8.016 -2.435 1.00 0.71 H new ATOM 0 HA2 GLY A 66 7.376 10.349 -2.226 1.00 0.78 H new ATOM 0 HA3 GLY A 66 5.924 10.437 -1.248 1.00 0.78 H new ATOM 1015 N PHE A 67 6.890 7.760 -0.262 1.00 0.66 N ATOM 1016 CA PHE A 67 6.781 7.353 1.135 1.00 0.47 C ATOM 1017 C PHE A 67 7.521 6.041 1.369 1.00 0.67 C ATOM 1018 O PHE A 67 7.615 5.223 0.460 1.00 1.35 O ATOM 1019 CB PHE A 67 5.292 7.207 1.460 1.00 0.62 C ATOM 1020 CG PHE A 67 4.432 8.317 0.889 1.00 0.51 C ATOM 1021 CD1 PHE A 67 4.657 9.646 1.288 1.00 1.74 C ATOM 1022 CD2 PHE A 67 3.547 8.054 -0.173 1.00 1.42 C ATOM 1023 CE1 PHE A 67 3.856 10.679 0.780 1.00 1.74 C ATOM 1024 CE2 PHE A 67 2.741 9.085 -0.683 1.00 1.46 C ATOM 1025 CZ PHE A 67 2.857 10.382 -0.160 1.00 0.59 C ATOM 0 H PHE A 67 6.603 7.050 -0.936 1.00 0.66 H new ATOM 0 HA PHE A 67 7.235 8.099 1.787 1.00 0.47 H new ATOM 0 HB2 PHE A 67 4.937 6.251 1.076 1.00 0.62 H new ATOM 0 HB3 PHE A 67 5.166 7.182 2.542 1.00 0.62 H new ATOM 0 HD1 PHE A 67 5.448 9.872 1.987 1.00 1.74 H new ATOM 0 HD2 PHE A 67 3.488 7.062 -0.595 1.00 1.42 H new ATOM 0 HE1 PHE A 67 4.007 11.696 1.110 1.00 1.74 H new ATOM 0 HE2 PHE A 67 2.035 8.880 -1.474 1.00 1.46 H new ATOM 0 HZ PHE A 67 2.175 11.155 -0.482 1.00 0.59 H new ATOM 1035 N GLU A 68 8.010 5.811 2.589 1.00 0.49 N ATOM 1036 CA GLU A 68 8.593 4.529 2.944 1.00 0.56 C ATOM 1037 C GLU A 68 7.448 3.601 3.359 1.00 0.56 C ATOM 1038 O GLU A 68 6.422 4.071 3.865 1.00 0.75 O ATOM 1039 CB GLU A 68 9.594 4.731 4.090 1.00 0.80 C ATOM 1040 CG GLU A 68 10.488 3.513 4.356 1.00 2.42 C ATOM 1041 CD GLU A 68 10.831 3.399 5.833 1.00 2.90 C ATOM 1042 OE1 GLU A 68 11.446 4.348 6.361 1.00 2.74 O ATOM 1043 OE2 GLU A 68 10.405 2.397 6.456 1.00 4.06 O ATOM 0 H GLU A 68 8.011 6.499 3.342 1.00 0.49 H new ATOM 0 HA GLU A 68 9.132 4.087 2.106 1.00 0.56 H new ATOM 0 HB2 GLU A 68 10.225 5.590 3.861 1.00 0.80 H new ATOM 0 HB3 GLU A 68 9.045 4.973 5.000 1.00 0.80 H new ATOM 0 HG2 GLU A 68 9.981 2.606 4.026 1.00 2.42 H new ATOM 0 HG3 GLU A 68 11.404 3.596 3.772 1.00 2.42 H new ATOM 1050 N ALA A 69 7.639 2.293 3.180 1.00 0.62 N ATOM 1051 CA ALA A 69 6.836 1.267 3.815 1.00 0.72 C ATOM 1052 C ALA A 69 7.737 0.351 4.634 1.00 0.79 C ATOM 1053 O ALA A 69 8.705 -0.190 4.107 1.00 0.91 O ATOM 1054 CB ALA A 69 6.096 0.435 2.777 1.00 1.05 C ATOM 0 H ALA A 69 8.372 1.918 2.577 1.00 0.62 H new ATOM 0 HA ALA A 69 6.105 1.754 4.461 1.00 0.72 H new ATOM 0 HB1 ALA A 69 5.501 -0.328 3.279 1.00 1.05 H new ATOM 0 HB2 ALA A 69 5.440 1.081 2.193 1.00 1.05 H new ATOM 0 HB3 ALA A 69 6.816 -0.045 2.114 1.00 1.05 H new ATOM 1060 N SER A 70 7.368 0.130 5.895 1.00 1.27 N ATOM 1061 CA SER A 70 7.971 -0.867 6.763 1.00 1.55 C ATOM 1062 C SER A 70 6.953 -1.997 6.943 1.00 1.36 C ATOM 1063 O SER A 70 5.969 -1.818 7.656 1.00 1.42 O ATOM 1064 CB SER A 70 8.349 -0.237 8.114 1.00 1.80 C ATOM 1065 OG SER A 70 8.811 1.097 7.994 1.00 2.75 O ATOM 0 H SER A 70 6.621 0.656 6.348 1.00 1.27 H new ATOM 0 HA SER A 70 8.888 -1.261 6.325 1.00 1.55 H new ATOM 0 HB2 SER A 70 7.481 -0.257 8.773 1.00 1.80 H new ATOM 0 HB3 SER A 70 9.122 -0.842 8.587 1.00 1.80 H new ATOM 0 HG SER A 70 9.423 1.164 7.232 1.00 2.75 H new ATOM 1071 N LEU A 71 7.137 -3.146 6.286 1.00 1.27 N ATOM 1072 CA LEU A 71 6.264 -4.301 6.493 1.00 1.15 C ATOM 1073 C LEU A 71 6.183 -4.657 7.982 1.00 1.13 C ATOM 1074 O LEU A 71 7.220 -4.820 8.622 1.00 1.68 O ATOM 1075 CB LEU A 71 6.690 -5.490 5.612 1.00 1.31 C ATOM 1076 CG LEU A 71 7.985 -6.230 6.006 1.00 2.13 C ATOM 1077 CD1 LEU A 71 8.182 -7.415 5.054 1.00 2.13 C ATOM 1078 CD2 LEU A 71 9.239 -5.348 5.955 1.00 3.75 C ATOM 0 H LEU A 71 7.883 -3.299 5.607 1.00 1.27 H new ATOM 0 HA LEU A 71 5.255 -4.037 6.176 1.00 1.15 H new ATOM 0 HB2 LEU A 71 5.876 -6.214 5.605 1.00 1.31 H new ATOM 0 HB3 LEU A 71 6.804 -5.129 4.590 1.00 1.31 H new ATOM 0 HG LEU A 71 7.864 -6.550 7.041 1.00 2.13 H new ATOM 0 HD11 LEU A 71 9.095 -7.948 5.321 1.00 2.13 H new ATOM 0 HD12 LEU A 71 7.331 -8.091 5.133 1.00 2.13 H new ATOM 0 HD13 LEU A 71 8.261 -7.050 4.030 1.00 2.13 H new ATOM 0 HD21 LEU A 71 10.110 -5.936 6.245 1.00 3.75 H new ATOM 0 HD22 LEU A 71 9.377 -4.970 4.942 1.00 3.75 H new ATOM 0 HD23 LEU A 71 9.123 -4.510 6.642 1.00 3.75 H new ATOM 1090 N VAL A 72 4.969 -4.752 8.540 1.00 1.22 N ATOM 1091 CA VAL A 72 4.805 -5.166 9.931 1.00 1.31 C ATOM 1092 C VAL A 72 4.726 -6.691 10.027 1.00 1.11 C ATOM 1093 O VAL A 72 5.233 -7.266 10.987 1.00 2.27 O ATOM 1094 CB VAL A 72 3.642 -4.441 10.635 1.00 1.92 C ATOM 1095 CG1 VAL A 72 3.970 -2.952 10.806 1.00 2.20 C ATOM 1096 CG2 VAL A 72 2.287 -4.568 9.933 1.00 3.57 C ATOM 0 H VAL A 72 4.097 -4.549 8.052 1.00 1.22 H new ATOM 0 HA VAL A 72 5.692 -4.856 10.484 1.00 1.31 H new ATOM 0 HB VAL A 72 3.542 -4.941 11.598 1.00 1.92 H new ATOM 0 HG11 VAL A 72 3.140 -2.452 11.305 1.00 2.20 H new ATOM 0 HG12 VAL A 72 4.873 -2.845 11.408 1.00 2.20 H new ATOM 0 HG13 VAL A 72 4.131 -2.500 9.827 1.00 2.20 H new ATOM 0 HG21 VAL A 72 1.531 -4.026 10.501 1.00 3.57 H new ATOM 0 HG22 VAL A 72 2.357 -4.149 8.929 1.00 3.57 H new ATOM 0 HG23 VAL A 72 2.008 -5.620 9.868 1.00 3.57 H new ATOM 1106 N LYS A 73 4.127 -7.353 9.029 1.00 1.71 N ATOM 1107 CA LYS A 73 4.127 -8.804 8.907 1.00 2.28 C ATOM 1108 C LYS A 73 3.689 -9.194 7.494 1.00 4.32 C ATOM 1109 O LYS A 73 3.326 -8.326 6.699 1.00 5.59 O ATOM 1110 CB LYS A 73 3.234 -9.451 9.980 1.00 1.82 C ATOM 1111 CG LYS A 73 1.793 -8.930 9.939 1.00 2.37 C ATOM 1112 CD LYS A 73 0.917 -9.820 10.830 1.00 3.40 C ATOM 1113 CE LYS A 73 -0.506 -9.264 10.953 1.00 4.51 C ATOM 1114 NZ LYS A 73 -1.209 -9.281 9.660 1.00 4.65 N ATOM 0 H LYS A 73 3.624 -6.883 8.277 1.00 1.71 H new ATOM 0 HA LYS A 73 5.137 -9.178 9.073 1.00 2.28 H new ATOM 0 HB2 LYS A 73 3.230 -10.532 9.841 1.00 1.82 H new ATOM 0 HB3 LYS A 73 3.658 -9.258 10.965 1.00 1.82 H new ATOM 0 HG2 LYS A 73 1.756 -7.897 10.285 1.00 2.37 H new ATOM 0 HG3 LYS A 73 1.419 -8.937 8.915 1.00 2.37 H new ATOM 0 HD2 LYS A 73 0.881 -10.828 10.416 1.00 3.40 H new ATOM 0 HD3 LYS A 73 1.365 -9.898 11.821 1.00 3.40 H new ATOM 0 HE2 LYS A 73 -1.066 -9.853 11.680 1.00 4.51 H new ATOM 0 HE3 LYS A 73 -0.467 -8.243 11.333 1.00 4.51 H new ATOM 0 HZ1 LYS A 73 -1.614 -8.341 9.472 1.00 4.65 H new ATOM 0 HZ2 LYS A 73 -0.539 -9.527 8.904 1.00 4.65 H new ATOM 0 HZ3 LYS A 73 -1.972 -9.987 9.689 1.00 4.65 H new ATOM 1128 N ILE A 74 3.721 -10.499 7.213 1.00 5.43 N ATOM 1129 CA ILE A 74 3.237 -11.143 6.004 1.00 7.71 C ATOM 1130 C ILE A 74 2.373 -12.311 6.484 1.00 8.04 C ATOM 1131 O ILE A 74 2.716 -12.914 7.503 1.00 7.63 O ATOM 1132 CB ILE A 74 4.441 -11.674 5.195 1.00 9.18 C ATOM 1133 CG1 ILE A 74 5.464 -10.589 4.813 1.00 9.84 C ATOM 1134 CG2 ILE A 74 3.981 -12.447 3.950 1.00 11.08 C ATOM 1135 CD1 ILE A 74 4.929 -9.576 3.802 1.00 11.25 C ATOM 0 H ILE A 74 4.113 -11.172 7.872 1.00 5.43 H new ATOM 0 HA ILE A 74 2.675 -10.462 5.365 1.00 7.71 H new ATOM 0 HB ILE A 74 4.961 -12.358 5.866 1.00 9.18 H new ATOM 0 HG12 ILE A 74 5.775 -10.061 5.714 1.00 9.84 H new ATOM 0 HG13 ILE A 74 6.352 -11.067 4.401 1.00 9.84 H new ATOM 0 HG21 ILE A 74 4.852 -12.807 3.403 1.00 11.08 H new ATOM 0 HG22 ILE A 74 3.368 -13.295 4.254 1.00 11.08 H new ATOM 0 HG23 ILE A 74 3.396 -11.788 3.308 1.00 11.08 H new ATOM 0 HD11 ILE A 74 5.703 -8.841 3.579 1.00 11.25 H new ATOM 0 HD12 ILE A 74 4.644 -10.093 2.885 1.00 11.25 H new ATOM 0 HD13 ILE A 74 4.058 -9.071 4.219 1.00 11.25 H new ATOM 1147 N GLU A 75 1.321 -12.650 5.736 1.00 9.28 N ATOM 1148 CA GLU A 75 0.586 -13.895 5.830 1.00 10.21 C ATOM 1149 C GLU A 75 0.324 -14.311 4.382 1.00 11.76 C ATOM 1150 O GLU A 75 0.444 -13.412 3.516 1.00 12.22 O ATOM 1151 CB GLU A 75 -0.741 -13.709 6.576 1.00 10.44 C ATOM 1152 CG GLU A 75 -0.586 -13.289 8.047 1.00 9.49 C ATOM 1153 CD GLU A 75 -0.930 -11.826 8.283 1.00 9.64 C ATOM 1154 OE1 GLU A 75 -0.096 -10.936 8.000 1.00 9.48 O ATOM 1155 OE2 GLU A 75 -2.020 -11.564 8.842 1.00 10.31 O ATOM 1156 OXT GLU A 75 0.010 -15.501 4.168 1.00 12.79 O ATOM 0 H GLU A 75 0.948 -12.029 5.018 1.00 9.28 H new ATOM 0 HA GLU A 75 1.147 -14.646 6.387 1.00 10.21 H new ATOM 0 HB2 GLU A 75 -1.334 -12.957 6.056 1.00 10.44 H new ATOM 0 HB3 GLU A 75 -1.302 -14.643 6.534 1.00 10.44 H new ATOM 0 HG2 GLU A 75 -1.229 -13.913 8.668 1.00 9.49 H new ATOM 0 HG3 GLU A 75 0.440 -13.472 8.366 1.00 9.49 H new TER 1163 GLU A 75 HETATM 1164 CU CU1 A 76 0.060 14.947 2.229 1.00 0.89 CU