USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 531 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 163 LYS NZ :NH3+ -128:sc= -3.25! (180deg=-0.393) USER MOD Set 1.2: A 167 GLN : amide:sc= -3.76! C(o=-7!,f=-6.5!) USER MOD Single : A 144 MET CE :methyl 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 149 LYS NZ :NH3+ 121:sc= -5.33! (180deg=-5.52!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 67:sc= 0.444 USER MOD Single : A 169 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 216 THR OG1 : rot -119:sc= -2.61! USER MOD Single : B 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 223 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.99) USER MOD Single : B 228 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 229 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 239 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 139 24.158 -4.047 -15.231 1.00 0.00 N ATOM 36 CA GLU A 139 23.682 -3.858 -13.866 1.00 0.00 C ATOM 37 C GLU A 139 24.814 -4.087 -12.869 1.00 0.00 C ATOM 38 O GLU A 139 24.950 -3.353 -11.891 1.00 0.00 O ATOM 39 CB GLU A 139 22.537 -4.828 -13.571 1.00 0.00 C ATOM 40 CG GLU A 139 21.970 -4.543 -12.180 1.00 0.00 C ATOM 41 CD GLU A 139 20.781 -5.457 -11.904 1.00 0.00 C ATOM 42 OE1 GLU A 139 20.904 -6.646 -12.147 1.00 0.00 O ATOM 43 OE2 GLU A 139 19.764 -4.954 -11.454 1.00 0.00 O ATOM 0 HA GLU A 139 23.324 -2.834 -13.765 1.00 0.00 H new ATOM 0 HB2 GLU A 139 21.755 -4.722 -14.322 1.00 0.00 H new ATOM 0 HB3 GLU A 139 22.895 -5.856 -13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 139 22.741 -4.698 -11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 139 21.661 -3.500 -12.111 1.00 0.00 H new ATOM 50 N GLU A 140 25.624 -5.108 -13.125 1.00 0.00 N ATOM 51 CA GLU A 140 26.740 -5.427 -12.240 1.00 0.00 C ATOM 52 C GLU A 140 27.741 -4.277 -12.208 1.00 0.00 C ATOM 53 O GLU A 140 28.266 -3.927 -11.151 1.00 0.00 O ATOM 54 CB GLU A 140 27.439 -6.701 -12.719 1.00 0.00 C ATOM 55 CG GLU A 140 28.592 -7.038 -11.772 1.00 0.00 C ATOM 56 CD GLU A 140 29.244 -8.351 -12.191 1.00 0.00 C ATOM 57 OE1 GLU A 140 28.934 -8.825 -13.272 1.00 0.00 O ATOM 58 OE2 GLU A 140 30.043 -8.864 -11.424 1.00 0.00 O ATOM 0 H GLU A 140 25.531 -5.725 -13.932 1.00 0.00 H new ATOM 0 HA GLU A 140 26.350 -5.584 -11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 140 26.729 -7.527 -12.753 1.00 0.00 H new ATOM 0 HB3 GLU A 140 27.816 -6.563 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 140 29.330 -6.236 -11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 140 28.223 -7.116 -10.749 1.00 0.00 H new ATOM 65 N ARG A 141 28.002 -3.693 -13.373 1.00 0.00 N ATOM 66 CA ARG A 141 28.941 -2.582 -13.466 1.00 0.00 C ATOM 67 C ARG A 141 28.430 -1.380 -12.678 1.00 0.00 C ATOM 68 O ARG A 141 29.204 -0.674 -12.032 1.00 0.00 O ATOM 69 CB ARG A 141 29.139 -2.186 -14.931 1.00 0.00 C ATOM 70 CG ARG A 141 29.923 -3.282 -15.656 1.00 0.00 C ATOM 71 CD ARG A 141 30.101 -2.897 -17.125 1.00 0.00 C ATOM 72 NE ARG A 141 30.859 -3.926 -17.828 1.00 0.00 N ATOM 73 CZ ARG A 141 30.250 -4.968 -18.384 1.00 0.00 C ATOM 74 NH1 ARG A 141 28.952 -5.084 -18.306 1.00 0.00 N ATOM 75 NH2 ARG A 141 30.950 -5.877 -19.007 1.00 0.00 N ATOM 0 H ARG A 141 27.580 -3.968 -14.260 1.00 0.00 H new ATOM 0 HA ARG A 141 29.894 -2.901 -13.043 1.00 0.00 H new ATOM 0 HB2 ARG A 141 28.172 -2.037 -15.412 1.00 0.00 H new ATOM 0 HB3 ARG A 141 29.675 -1.239 -14.993 1.00 0.00 H new ATOM 0 HG2 ARG A 141 30.896 -3.420 -15.185 1.00 0.00 H new ATOM 0 HG3 ARG A 141 29.395 -4.232 -15.580 1.00 0.00 H new ATOM 0 HD2 ARG A 141 29.126 -2.768 -17.595 1.00 0.00 H new ATOM 0 HD3 ARG A 141 30.619 -1.941 -17.198 1.00 0.00 H new ATOM 0 HE ARG A 141 31.874 -3.844 -17.894 1.00 0.00 H new ATOM 0 HH11 ARG A 141 28.405 -4.375 -17.818 1.00 0.00 H new ATOM 0 HH12 ARG A 141 28.485 -5.884 -18.733 1.00 0.00 H new ATOM 0 HH21 ARG A 141 31.964 -5.787 -19.067 1.00 0.00 H new ATOM 0 HH22 ARG A 141 30.483 -6.677 -19.434 1.00 0.00 H new ATOM 89 N GLU A 142 27.121 -1.154 -12.735 1.00 0.00 N ATOM 90 CA GLU A 142 26.516 -0.036 -12.023 1.00 0.00 C ATOM 91 C GLU A 142 26.619 -0.241 -10.515 1.00 0.00 C ATOM 92 O GLU A 142 26.789 0.715 -9.758 1.00 0.00 O ATOM 93 CB GLU A 142 25.047 0.104 -12.422 1.00 0.00 C ATOM 94 CG GLU A 142 24.456 1.354 -11.766 1.00 0.00 C ATOM 95 CD GLU A 142 22.997 1.518 -12.177 1.00 0.00 C ATOM 96 OE1 GLU A 142 22.280 0.533 -12.149 1.00 0.00 O ATOM 97 OE2 GLU A 142 22.618 2.628 -12.514 1.00 0.00 O ATOM 0 H GLU A 142 26.463 -1.727 -13.264 1.00 0.00 H new ATOM 0 HA GLU A 142 27.053 0.874 -12.291 1.00 0.00 H new ATOM 0 HB2 GLU A 142 24.959 0.173 -13.506 1.00 0.00 H new ATOM 0 HB3 GLU A 142 24.489 -0.780 -12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 142 24.530 1.275 -10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 142 25.027 2.234 -12.061 1.00 0.00 H new ATOM 104 N ARG A 143 26.513 -1.495 -10.085 1.00 0.00 N ATOM 105 CA ARG A 143 26.589 -1.813 -8.664 1.00 0.00 C ATOM 106 C ARG A 143 27.932 -1.377 -8.088 1.00 0.00 C ATOM 107 O ARG A 143 27.994 -0.794 -7.006 1.00 0.00 O ATOM 108 CB ARG A 143 26.405 -3.317 -8.455 1.00 0.00 C ATOM 109 CG ARG A 143 26.388 -3.626 -6.957 1.00 0.00 C ATOM 110 CD ARG A 143 26.208 -5.130 -6.746 1.00 0.00 C ATOM 111 NE ARG A 143 27.355 -5.855 -7.281 1.00 0.00 N ATOM 112 CZ ARG A 143 27.276 -7.149 -7.570 1.00 0.00 C ATOM 113 NH1 ARG A 143 26.157 -7.793 -7.378 1.00 0.00 N ATOM 114 NH2 ARG A 143 28.316 -7.776 -8.047 1.00 0.00 N ATOM 0 H ARG A 143 26.375 -2.301 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 143 25.794 -1.275 -8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 143 25.474 -3.648 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 143 27.213 -3.864 -8.941 1.00 0.00 H new ATOM 0 HG2 ARG A 143 27.318 -3.292 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 143 25.578 -3.081 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 143 26.097 -5.345 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 143 25.295 -5.467 -7.237 1.00 0.00 H new ATOM 0 HE ARG A 143 28.233 -5.360 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 143 25.344 -7.303 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 143 26.096 -8.787 -7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 143 29.190 -7.272 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 143 28.255 -8.770 -8.269 1.00 0.00 H new ATOM 128 N MET A 144 29.006 -1.662 -8.818 1.00 0.00 N ATOM 129 CA MET A 144 30.342 -1.292 -8.368 1.00 0.00 C ATOM 130 C MET A 144 30.429 0.211 -8.127 1.00 0.00 C ATOM 131 O MET A 144 31.023 0.659 -7.146 1.00 0.00 O ATOM 132 CB MET A 144 31.380 -1.704 -9.416 1.00 0.00 C ATOM 133 CG MET A 144 32.783 -1.373 -8.903 1.00 0.00 C ATOM 134 SD MET A 144 34.008 -1.870 -10.138 1.00 0.00 S ATOM 135 CE MET A 144 33.945 -0.367 -11.141 1.00 0.00 C ATOM 0 H MET A 144 28.978 -2.144 -9.716 1.00 0.00 H new ATOM 0 HA MET A 144 30.546 -1.811 -7.432 1.00 0.00 H new ATOM 0 HB2 MET A 144 31.299 -2.771 -9.623 1.00 0.00 H new ATOM 0 HB3 MET A 144 31.192 -1.182 -10.354 1.00 0.00 H new ATOM 0 HG2 MET A 144 32.866 -0.305 -8.702 1.00 0.00 H new ATOM 0 HG3 MET A 144 32.969 -1.890 -7.962 1.00 0.00 H new ATOM 0 HE1 MET A 144 34.676 -0.436 -11.946 1.00 0.00 H new ATOM 0 HE2 MET A 144 32.947 -0.254 -11.565 1.00 0.00 H new ATOM 0 HE3 MET A 144 34.173 0.497 -10.517 1.00 0.00 H new ATOM 145 N ILE A 145 29.830 0.985 -9.026 1.00 0.00 N ATOM 146 CA ILE A 145 29.848 2.438 -8.901 1.00 0.00 C ATOM 147 C ILE A 145 29.152 2.871 -7.615 1.00 0.00 C ATOM 148 O ILE A 145 29.644 3.740 -6.895 1.00 0.00 O ATOM 149 CB ILE A 145 29.147 3.074 -10.102 1.00 0.00 C ATOM 150 CG1 ILE A 145 29.802 2.579 -11.394 1.00 0.00 C ATOM 151 CG2 ILE A 145 29.272 4.596 -10.019 1.00 0.00 C ATOM 152 CD1 ILE A 145 31.299 2.894 -11.361 1.00 0.00 C ATOM 0 H ILE A 145 29.330 0.634 -9.843 1.00 0.00 H new ATOM 0 HA ILE A 145 30.886 2.770 -8.870 1.00 0.00 H new ATOM 0 HB ILE A 145 28.093 2.795 -10.097 1.00 0.00 H new ATOM 0 HG12 ILE A 145 29.648 1.506 -11.504 1.00 0.00 H new ATOM 0 HG13 ILE A 145 29.338 3.058 -12.256 1.00 0.00 H new ATOM 0 HG21 ILE A 145 28.772 5.049 -10.875 1.00 0.00 H new ATOM 0 HG22 ILE A 145 28.807 4.950 -9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 145 30.326 4.875 -10.024 1.00 0.00 H new ATOM 0 HD11 ILE A 145 31.765 2.541 -12.281 1.00 0.00 H new ATOM 0 HD12 ILE A 145 31.442 3.971 -11.271 1.00 0.00 H new ATOM 0 HD13 ILE A 145 31.757 2.394 -10.507 1.00 0.00 H new ATOM 164 N LYS A 146 28.007 2.259 -7.331 1.00 0.00 N ATOM 165 CA LYS A 146 27.251 2.595 -6.130 1.00 0.00 C ATOM 166 C LYS A 146 28.039 2.216 -4.880 1.00 0.00 C ATOM 167 O LYS A 146 28.075 2.968 -3.907 1.00 0.00 O ATOM 168 CB LYS A 146 25.910 1.859 -6.134 1.00 0.00 C ATOM 169 CG LYS A 146 25.076 2.312 -4.934 1.00 0.00 C ATOM 170 CD LYS A 146 23.734 1.577 -4.938 1.00 0.00 C ATOM 171 CE LYS A 146 22.900 2.027 -3.736 1.00 0.00 C ATOM 172 NZ LYS A 146 22.207 3.304 -4.064 1.00 0.00 N ATOM 0 H LYS A 146 27.585 1.534 -7.911 1.00 0.00 H new ATOM 0 HA LYS A 146 27.074 3.670 -6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 146 25.374 2.063 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 146 26.074 0.782 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 146 25.612 2.107 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 146 24.913 3.389 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 146 23.197 1.784 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 146 23.897 0.500 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 146 22.170 1.260 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 146 23.541 2.162 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 21.640 3.611 -3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 22.913 4.034 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.584 3.160 -4.884 1.00 0.00 H new ATOM 186 N GLN A 147 28.669 1.046 -4.917 1.00 0.00 N ATOM 187 CA GLN A 147 29.444 0.573 -3.775 1.00 0.00 C ATOM 188 C GLN A 147 30.597 1.527 -3.482 1.00 0.00 C ATOM 189 O GLN A 147 30.915 1.794 -2.322 1.00 0.00 O ATOM 190 CB GLN A 147 29.996 -0.826 -4.063 1.00 0.00 C ATOM 191 CG GLN A 147 30.782 -1.324 -2.848 1.00 0.00 C ATOM 192 CD GLN A 147 31.317 -2.727 -3.114 1.00 0.00 C ATOM 193 OE1 GLN A 147 32.089 -2.931 -4.050 1.00 0.00 O ATOM 194 NE2 GLN A 147 30.952 -3.712 -2.340 1.00 0.00 N ATOM 0 H GLN A 147 28.659 0.413 -5.717 1.00 0.00 H new ATOM 0 HA GLN A 147 28.789 0.533 -2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 147 29.179 -1.512 -4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 147 30.641 -0.800 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 147 31.608 -0.645 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 147 30.140 -1.331 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 147 30.312 -3.541 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 147 31.307 -4.653 -2.510 1.00 0.00 H new ATOM 203 N LEU A 148 31.218 2.039 -4.539 1.00 0.00 N ATOM 204 CA LEU A 148 32.340 2.958 -4.382 1.00 0.00 C ATOM 205 C LEU A 148 31.886 4.241 -3.695 1.00 0.00 C ATOM 206 O LEU A 148 32.630 4.835 -2.914 1.00 0.00 O ATOM 207 CB LEU A 148 32.936 3.293 -5.751 1.00 0.00 C ATOM 208 CG LEU A 148 33.664 2.067 -6.304 1.00 0.00 C ATOM 209 CD1 LEU A 148 34.052 2.319 -7.763 1.00 0.00 C ATOM 210 CD2 LEU A 148 34.929 1.811 -5.480 1.00 0.00 C ATOM 0 H LEU A 148 30.966 1.836 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 148 33.098 2.476 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 148 32.147 3.601 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 148 33.628 4.131 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 148 33.008 1.198 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 148 34.571 1.445 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 148 33.153 2.504 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 148 34.708 3.187 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 148 35.449 0.937 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 148 35.584 2.680 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 148 34.656 1.633 -4.440 1.00 0.00 H new ATOM 222 N LYS A 149 30.661 4.661 -3.991 1.00 0.00 N ATOM 223 CA LYS A 149 30.119 5.880 -3.402 1.00 0.00 C ATOM 224 C LYS A 149 29.965 5.721 -1.893 1.00 0.00 C ATOM 225 O LYS A 149 30.090 6.687 -1.141 1.00 0.00 O ATOM 226 CB LYS A 149 28.760 6.202 -4.024 1.00 0.00 C ATOM 227 CG LYS A 149 28.944 6.550 -5.503 1.00 0.00 C ATOM 228 CD LYS A 149 29.593 7.930 -5.625 1.00 0.00 C ATOM 229 CE LYS A 149 29.318 8.502 -7.017 1.00 0.00 C ATOM 230 NZ LYS A 149 29.953 7.631 -8.046 1.00 0.00 N ATOM 0 H LYS A 149 30.029 4.180 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 149 30.812 6.697 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 149 28.090 5.349 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 149 28.296 7.037 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 149 29.567 5.799 -5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 149 27.980 6.543 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 149 29.197 8.599 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 149 30.667 7.855 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 149 28.244 8.564 -7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 149 29.712 9.516 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 29.225 7.276 -8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 30.657 8.180 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 30.421 6.828 -7.580 1.00 0.00 H new ATOM 244 N GLU A 150 29.696 4.495 -1.458 1.00 0.00 N ATOM 245 CA GLU A 150 29.513 4.223 -0.037 1.00 0.00 C ATOM 246 C GLU A 150 30.818 4.446 0.720 1.00 0.00 C ATOM 247 O GLU A 150 30.847 5.139 1.737 1.00 0.00 O ATOM 248 CB GLU A 150 29.044 2.781 0.163 1.00 0.00 C ATOM 249 CG GLU A 150 27.618 2.629 -0.367 1.00 0.00 C ATOM 250 CD GLU A 150 27.179 1.171 -0.277 1.00 0.00 C ATOM 251 OE1 GLU A 150 27.967 0.364 0.191 1.00 0.00 O ATOM 252 OE2 GLU A 150 26.064 0.882 -0.675 1.00 0.00 O ATOM 0 H GLU A 150 29.600 3.680 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 150 28.758 4.906 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 150 29.712 2.095 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 150 29.080 2.519 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 150 26.939 3.258 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 150 27.568 2.969 -1.401 1.00 0.00 H new ATOM 259 N GLU A 151 31.896 3.854 0.217 1.00 0.00 N ATOM 260 CA GLU A 151 33.201 3.996 0.854 1.00 0.00 C ATOM 261 C GLU A 151 33.685 5.440 0.762 1.00 0.00 C ATOM 262 O GLU A 151 34.417 5.914 1.631 1.00 0.00 O ATOM 263 CB GLU A 151 34.215 3.072 0.179 1.00 0.00 C ATOM 264 CG GLU A 151 33.859 1.614 0.482 1.00 0.00 C ATOM 265 CD GLU A 151 34.833 0.681 -0.229 1.00 0.00 C ATOM 266 OE1 GLU A 151 35.699 1.180 -0.928 1.00 0.00 O ATOM 267 OE2 GLU A 151 34.700 -0.520 -0.063 1.00 0.00 O ATOM 0 H GLU A 151 31.893 3.276 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 151 33.105 3.722 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 151 34.216 3.241 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 151 35.220 3.294 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 151 33.894 1.438 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 151 32.840 1.405 0.158 1.00 0.00 H new ATOM 274 N LEU A 152 33.270 6.132 -0.293 1.00 0.00 N ATOM 275 CA LEU A 152 33.675 7.518 -0.493 1.00 0.00 C ATOM 276 C LEU A 152 33.199 8.386 0.668 1.00 0.00 C ATOM 277 O LEU A 152 33.931 9.250 1.151 1.00 0.00 O ATOM 278 CB LEU A 152 33.093 8.050 -1.804 1.00 0.00 C ATOM 279 CG LEU A 152 33.500 9.512 -1.987 1.00 0.00 C ATOM 280 CD1 LEU A 152 33.827 9.771 -3.458 1.00 0.00 C ATOM 281 CD2 LEU A 152 32.346 10.419 -1.555 1.00 0.00 C ATOM 0 H LEU A 152 32.658 5.759 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 152 34.763 7.556 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 152 33.453 7.454 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 152 32.007 7.963 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 152 34.378 9.724 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 152 34.117 10.814 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 152 34.648 9.124 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 152 32.949 9.560 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 152 32.635 11.462 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 152 31.468 10.207 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 152 32.112 10.235 -0.506 1.00 0.00 H new ATOM 293 N ARG A 153 31.969 8.149 1.110 1.00 0.00 N ATOM 294 CA ARG A 153 31.403 8.919 2.213 1.00 0.00 C ATOM 295 C ARG A 153 32.202 8.686 3.491 1.00 0.00 C ATOM 296 O ARG A 153 32.499 9.626 4.228 1.00 0.00 O ATOM 297 CB ARG A 153 29.945 8.515 2.439 1.00 0.00 C ATOM 298 CG ARG A 153 29.089 9.018 1.275 1.00 0.00 C ATOM 299 CD ARG A 153 27.635 8.595 1.490 1.00 0.00 C ATOM 300 NE ARG A 153 27.505 7.148 1.361 1.00 0.00 N ATOM 301 CZ ARG A 153 26.351 6.536 1.605 1.00 0.00 C ATOM 302 NH1 ARG A 153 25.308 7.232 1.967 1.00 0.00 N ATOM 303 NH2 ARG A 153 26.261 5.240 1.485 1.00 0.00 N ATOM 0 H ARG A 153 31.349 7.436 0.726 1.00 0.00 H new ATOM 0 HA ARG A 153 31.449 9.977 1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 153 29.866 7.431 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 153 29.582 8.933 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 153 29.156 10.104 1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 153 29.461 8.613 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 153 27.300 8.911 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 153 26.993 9.091 0.762 1.00 0.00 H new ATOM 0 HE ARG A 153 28.315 6.596 1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 153 25.379 8.245 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 153 24.422 6.763 2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 153 27.077 4.696 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 153 25.375 4.771 1.672 1.00 0.00 H new ATOM 317 N LEU A 154 32.547 7.428 3.745 1.00 0.00 N ATOM 318 CA LEU A 154 33.315 7.084 4.936 1.00 0.00 C ATOM 319 C LEU A 154 34.745 7.602 4.819 1.00 0.00 C ATOM 320 O LEU A 154 35.303 8.133 5.779 1.00 0.00 O ATOM 321 CB LEU A 154 33.334 5.565 5.124 1.00 0.00 C ATOM 322 CG LEU A 154 31.943 5.083 5.536 1.00 0.00 C ATOM 323 CD1 LEU A 154 31.918 3.554 5.559 1.00 0.00 C ATOM 324 CD2 LEU A 154 31.611 5.619 6.931 1.00 0.00 C ATOM 0 H LEU A 154 32.309 6.636 3.148 1.00 0.00 H new ATOM 0 HA LEU A 154 32.841 7.551 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 154 33.640 5.077 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 154 34.065 5.291 5.885 1.00 0.00 H new ATOM 0 HG LEU A 154 31.206 5.447 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 154 30.926 3.211 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 154 32.155 3.171 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 154 32.655 3.189 6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 154 30.619 5.276 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 154 32.349 5.254 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 154 31.628 6.709 6.916 1.00 0.00 H new ATOM 336 N GLU A 155 35.329 7.445 3.636 1.00 0.00 N ATOM 337 CA GLU A 155 36.698 7.892 3.405 1.00 0.00 C ATOM 338 C GLU A 155 36.794 9.409 3.538 1.00 0.00 C ATOM 339 O GLU A 155 37.743 9.932 4.120 1.00 0.00 O ATOM 340 CB GLU A 155 37.158 7.469 2.009 1.00 0.00 C ATOM 341 CG GLU A 155 38.670 7.672 1.888 1.00 0.00 C ATOM 342 CD GLU A 155 39.404 6.676 2.779 1.00 0.00 C ATOM 343 OE1 GLU A 155 38.745 5.820 3.344 1.00 0.00 O ATOM 344 OE2 GLU A 155 40.614 6.785 2.883 1.00 0.00 O ATOM 0 H GLU A 155 34.880 7.015 2.827 1.00 0.00 H new ATOM 0 HA GLU A 155 37.343 7.431 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 155 36.905 6.424 1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 155 36.640 8.055 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 155 38.981 7.542 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 155 38.932 8.690 2.174 1.00 0.00 H new ATOM 351 N GLU A 156 35.802 10.108 2.994 1.00 0.00 N ATOM 352 CA GLU A 156 35.788 11.565 3.052 1.00 0.00 C ATOM 353 C GLU A 156 35.410 12.039 4.451 1.00 0.00 C ATOM 354 O GLU A 156 36.048 12.932 5.009 1.00 0.00 O ATOM 355 CB GLU A 156 34.789 12.118 2.035 1.00 0.00 C ATOM 356 CG GLU A 156 34.874 13.645 2.013 1.00 0.00 C ATOM 357 CD GLU A 156 33.961 14.204 0.927 1.00 0.00 C ATOM 358 OE1 GLU A 156 33.574 13.441 0.057 1.00 0.00 O ATOM 359 OE2 GLU A 156 33.662 15.386 0.982 1.00 0.00 O ATOM 0 H GLU A 156 35.004 9.693 2.512 1.00 0.00 H new ATOM 0 HA GLU A 156 36.787 11.931 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 156 35.003 11.717 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 156 33.778 11.803 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 156 34.586 14.047 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 156 35.902 13.957 1.831 1.00 0.00 H new ATOM 366 N ALA A 157 34.367 11.436 5.013 1.00 0.00 N ATOM 367 CA ALA A 157 33.912 11.804 6.349 1.00 0.00 C ATOM 368 C ALA A 157 35.066 11.739 7.343 1.00 0.00 C ATOM 369 O ALA A 157 35.330 12.698 8.069 1.00 0.00 O ATOM 370 CB ALA A 157 32.794 10.864 6.798 1.00 0.00 C ATOM 0 H ALA A 157 33.824 10.696 4.568 1.00 0.00 H new ATOM 0 HA ALA A 157 33.533 12.826 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 157 32.460 11.146 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 157 31.958 10.935 6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 157 33.165 9.839 6.816 1.00 0.00 H new ATOM 376 N LYS A 158 35.752 10.600 7.370 1.00 0.00 N ATOM 377 CA LYS A 158 36.876 10.419 8.280 1.00 0.00 C ATOM 378 C LYS A 158 37.959 11.458 8.005 1.00 0.00 C ATOM 379 O LYS A 158 38.590 11.972 8.929 1.00 0.00 O ATOM 380 CB LYS A 158 37.461 9.015 8.116 1.00 0.00 C ATOM 381 CG LYS A 158 38.227 8.628 9.383 1.00 0.00 C ATOM 382 CD LYS A 158 37.255 8.041 10.409 1.00 0.00 C ATOM 383 CE LYS A 158 37.094 6.541 10.157 1.00 0.00 C ATOM 384 NZ LYS A 158 36.184 5.960 11.185 1.00 0.00 N ATOM 0 H LYS A 158 35.551 9.795 6.777 1.00 0.00 H new ATOM 0 HA LYS A 158 36.516 10.545 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 158 36.663 8.297 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 158 38.126 8.986 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 158 39.003 7.901 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 158 38.727 9.502 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 158 37.627 8.213 11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 158 36.288 8.539 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 158 36.689 6.370 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 158 38.066 6.048 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 36.074 4.940 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 36.588 6.111 12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 35.255 6.423 11.127 1.00 0.00 H new ATOM 398 N LEU A 159 38.167 11.764 6.728 1.00 0.00 N ATOM 399 CA LEU A 159 39.180 12.739 6.343 1.00 0.00 C ATOM 400 C LEU A 159 38.882 14.096 6.973 1.00 0.00 C ATOM 401 O LEU A 159 39.769 14.739 7.533 1.00 0.00 O ATOM 402 CB LEU A 159 39.218 12.880 4.819 1.00 0.00 C ATOM 403 CG LEU A 159 40.266 13.923 4.428 1.00 0.00 C ATOM 404 CD1 LEU A 159 41.626 13.524 5.006 1.00 0.00 C ATOM 405 CD2 LEU A 159 40.364 13.999 2.903 1.00 0.00 C ATOM 0 H LEU A 159 37.652 11.355 5.949 1.00 0.00 H new ATOM 0 HA LEU A 159 40.149 12.389 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 159 39.456 11.920 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 159 38.238 13.177 4.446 1.00 0.00 H new ATOM 0 HG LEU A 159 39.975 14.896 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 159 42.372 14.268 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 159 41.558 13.469 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 159 41.918 12.551 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 159 41.111 14.742 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 159 40.655 13.026 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 159 39.396 14.284 2.490 1.00 0.00 H new ATOM 417 N VAL A 160 37.628 14.524 6.878 1.00 0.00 N ATOM 418 CA VAL A 160 37.221 15.800 7.454 1.00 0.00 C ATOM 419 C VAL A 160 37.487 15.817 8.956 1.00 0.00 C ATOM 420 O VAL A 160 37.946 16.820 9.503 1.00 0.00 O ATOM 421 CB VAL A 160 35.732 16.040 7.197 1.00 0.00 C ATOM 422 CG1 VAL A 160 35.278 17.293 7.945 1.00 0.00 C ATOM 423 CG2 VAL A 160 35.500 16.232 5.696 1.00 0.00 C ATOM 0 H VAL A 160 36.881 14.010 6.411 1.00 0.00 H new ATOM 0 HA VAL A 160 37.803 16.592 6.982 1.00 0.00 H new ATOM 0 HB VAL A 160 35.161 15.181 7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 160 34.217 17.462 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 160 35.444 17.159 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 160 35.849 18.153 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 160 34.440 16.403 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 160 36.073 17.091 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 160 35.822 15.339 5.161 1.00 0.00 H new ATOM 433 N LEU A 161 37.201 14.699 9.615 1.00 0.00 N ATOM 434 CA LEU A 161 37.406 14.600 11.056 1.00 0.00 C ATOM 435 C LEU A 161 38.873 14.828 11.403 1.00 0.00 C ATOM 436 O LEU A 161 39.192 15.514 12.373 1.00 0.00 O ATOM 437 CB LEU A 161 36.971 13.220 11.551 1.00 0.00 C ATOM 438 CG LEU A 161 35.449 13.100 11.460 1.00 0.00 C ATOM 439 CD1 LEU A 161 35.025 11.676 11.826 1.00 0.00 C ATOM 440 CD2 LEU A 161 34.801 14.090 12.431 1.00 0.00 C ATOM 0 H LEU A 161 36.830 13.855 9.179 1.00 0.00 H new ATOM 0 HA LEU A 161 36.805 15.367 11.545 1.00 0.00 H new ATOM 0 HB2 LEU A 161 37.444 12.442 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 161 37.297 13.072 12.581 1.00 0.00 H new ATOM 0 HG LEU A 161 35.128 13.324 10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 161 33.940 11.591 11.761 1.00 0.00 H new ATOM 0 HD12 LEU A 161 35.486 10.970 11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 161 35.346 11.451 12.843 1.00 0.00 H new ATOM 0 HD21 LEU A 161 33.716 14.005 12.367 1.00 0.00 H new ATOM 0 HD22 LEU A 161 35.123 13.866 13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 161 35.102 15.105 12.171 1.00 0.00 H new ATOM 452 N LEU A 162 39.762 14.250 10.601 1.00 0.00 N ATOM 453 CA LEU A 162 41.194 14.403 10.827 1.00 0.00 C ATOM 454 C LEU A 162 41.580 15.878 10.823 1.00 0.00 C ATOM 455 O LEU A 162 42.424 16.311 11.608 1.00 0.00 O ATOM 456 CB LEU A 162 41.977 13.665 9.740 1.00 0.00 C ATOM 457 CG LEU A 162 42.324 12.257 10.225 1.00 0.00 C ATOM 458 CD1 LEU A 162 43.442 12.338 11.267 1.00 0.00 C ATOM 459 CD2 LEU A 162 41.086 11.616 10.856 1.00 0.00 C ATOM 0 H LEU A 162 39.518 13.675 9.794 1.00 0.00 H new ATOM 0 HA LEU A 162 41.437 13.977 11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 162 41.386 13.610 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 162 42.888 14.212 9.499 1.00 0.00 H new ATOM 0 HG LEU A 162 42.656 11.653 9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 162 43.690 11.335 11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 162 44.324 12.796 10.819 1.00 0.00 H new ATOM 0 HD13 LEU A 162 43.109 12.941 12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 162 41.332 10.612 11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 162 40.754 12.220 11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 162 40.288 11.559 10.115 1.00 0.00 H new ATOM 471 N LYS A 163 40.955 16.645 9.935 1.00 0.00 N ATOM 472 CA LYS A 163 41.238 18.072 9.840 1.00 0.00 C ATOM 473 C LYS A 163 40.906 18.771 11.155 1.00 0.00 C ATOM 474 O LYS A 163 41.670 19.609 11.633 1.00 0.00 O ATOM 475 CB LYS A 163 40.418 18.693 8.708 1.00 0.00 C ATOM 476 CG LYS A 163 40.802 20.164 8.546 1.00 0.00 C ATOM 477 CD LYS A 163 39.986 20.783 7.409 1.00 0.00 C ATOM 478 CE LYS A 163 40.393 22.246 7.225 1.00 0.00 C ATOM 479 NZ LYS A 163 40.005 23.024 8.435 1.00 0.00 N ATOM 0 H LYS A 163 40.255 16.305 9.276 1.00 0.00 H new ATOM 0 HA LYS A 163 42.300 18.200 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 163 40.598 18.155 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 163 39.354 18.606 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 163 40.618 20.703 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 163 41.867 20.251 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 163 40.152 20.229 6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 163 38.921 20.716 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 163 41.468 22.318 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 163 39.908 22.661 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 39.453 23.858 8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 39.430 22.426 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 40.861 23.332 8.939 1.00 0.00 H new ATOM 493 N LYS A 164 39.764 18.418 11.734 1.00 0.00 N ATOM 494 CA LYS A 164 39.338 19.021 12.991 1.00 0.00 C ATOM 495 C LYS A 164 40.341 18.714 14.098 1.00 0.00 C ATOM 496 O LYS A 164 40.603 19.549 14.963 1.00 0.00 O ATOM 497 CB LYS A 164 37.959 18.488 13.387 1.00 0.00 C ATOM 498 CG LYS A 164 36.907 19.019 12.410 1.00 0.00 C ATOM 499 CD LYS A 164 35.526 18.500 12.816 1.00 0.00 C ATOM 500 CE LYS A 164 34.476 19.021 11.832 1.00 0.00 C ATOM 501 NZ LYS A 164 33.133 18.507 12.223 1.00 0.00 N ATOM 0 H LYS A 164 39.121 17.722 11.356 1.00 0.00 H new ATOM 0 HA LYS A 164 39.283 20.101 12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 164 37.962 17.398 13.378 1.00 0.00 H new ATOM 0 HB3 LYS A 164 37.716 18.797 14.403 1.00 0.00 H new ATOM 0 HG2 LYS A 164 36.912 20.109 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 164 37.144 18.699 11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 164 35.523 17.410 12.824 1.00 0.00 H new ATOM 0 HD3 LYS A 164 35.286 18.827 13.828 1.00 0.00 H new ATOM 0 HE2 LYS A 164 34.474 20.111 11.829 1.00 0.00 H new ATOM 0 HE3 LYS A 164 34.720 18.700 10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 32.418 18.860 11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 33.140 17.467 12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 32.902 18.834 13.183 1.00 0.00 H new ATOM 515 N LEU A 165 40.903 17.509 14.063 1.00 0.00 N ATOM 516 CA LEU A 165 41.873 17.099 15.070 1.00 0.00 C ATOM 517 C LEU A 165 43.072 18.041 15.073 1.00 0.00 C ATOM 518 O LEU A 165 43.545 18.456 16.130 1.00 0.00 O ATOM 519 CB LEU A 165 42.344 15.670 14.791 1.00 0.00 C ATOM 520 CG LEU A 165 41.425 14.679 15.505 1.00 0.00 C ATOM 521 CD1 LEU A 165 40.075 14.625 14.787 1.00 0.00 C ATOM 522 CD2 LEU A 165 42.065 13.289 15.490 1.00 0.00 C ATOM 0 H LEU A 165 40.704 16.804 13.353 1.00 0.00 H new ATOM 0 HA LEU A 165 41.392 17.138 16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 165 42.339 15.478 13.718 1.00 0.00 H new ATOM 0 HB3 LEU A 165 43.371 15.541 15.134 1.00 0.00 H new ATOM 0 HG LEU A 165 41.276 15.001 16.536 1.00 0.00 H new ATOM 0 HD11 LEU A 165 39.420 13.918 15.296 1.00 0.00 H new ATOM 0 HD12 LEU A 165 39.618 15.615 14.796 1.00 0.00 H new ATOM 0 HD13 LEU A 165 40.224 14.304 13.756 1.00 0.00 H new ATOM 0 HD21 LEU A 165 41.410 12.582 15.999 1.00 0.00 H new ATOM 0 HD22 LEU A 165 42.214 12.968 14.459 1.00 0.00 H new ATOM 0 HD23 LEU A 165 43.027 13.326 16.001 1.00 0.00 H new ATOM 534 N ARG A 166 43.556 18.374 13.881 1.00 0.00 N ATOM 535 CA ARG A 166 44.696 19.275 13.755 1.00 0.00 C ATOM 536 C ARG A 166 44.331 20.671 14.251 1.00 0.00 C ATOM 537 O ARG A 166 45.147 21.352 14.872 1.00 0.00 O ATOM 538 CB ARG A 166 45.141 19.351 12.294 1.00 0.00 C ATOM 539 CG ARG A 166 45.906 18.079 11.925 1.00 0.00 C ATOM 540 CD ARG A 166 46.643 18.291 10.601 1.00 0.00 C ATOM 541 NE ARG A 166 45.688 18.447 9.511 1.00 0.00 N ATOM 542 CZ ARG A 166 46.060 18.955 8.341 1.00 0.00 C ATOM 543 NH1 ARG A 166 47.297 19.323 8.152 1.00 0.00 N ATOM 544 NH2 ARG A 166 45.187 19.085 7.379 1.00 0.00 N ATOM 0 H ARG A 166 43.180 18.037 12.995 1.00 0.00 H new ATOM 0 HA ARG A 166 45.513 18.887 14.364 1.00 0.00 H new ATOM 0 HB2 ARG A 166 44.273 19.467 11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 166 45.773 20.225 12.141 1.00 0.00 H new ATOM 0 HG2 ARG A 166 46.617 17.828 12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 166 45.216 17.239 11.839 1.00 0.00 H new ATOM 0 HD2 ARG A 166 47.277 19.175 10.667 1.00 0.00 H new ATOM 0 HD3 ARG A 166 47.298 17.443 10.401 1.00 0.00 H new ATOM 0 HE ARG A 166 44.718 18.162 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 166 47.980 19.221 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 166 47.581 19.713 7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 166 44.220 18.797 7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 166 45.472 19.475 6.481 1.00 0.00 H new ATOM 558 N GLN A 167 43.101 21.090 13.973 1.00 0.00 N ATOM 559 CA GLN A 167 42.641 22.409 14.392 1.00 0.00 C ATOM 560 C GLN A 167 42.606 22.504 15.913 1.00 0.00 C ATOM 561 O GLN A 167 42.818 23.576 16.482 1.00 0.00 O ATOM 562 CB GLN A 167 41.245 22.677 13.828 1.00 0.00 C ATOM 563 CG GLN A 167 41.328 22.831 12.308 1.00 0.00 C ATOM 564 CD GLN A 167 39.932 23.021 11.725 1.00 0.00 C ATOM 565 OE1 GLN A 167 38.997 22.318 12.109 1.00 0.00 O ATOM 566 NE2 GLN A 167 39.733 23.935 10.817 1.00 0.00 N ATOM 0 H GLN A 167 42.409 20.540 13.463 1.00 0.00 H new ATOM 0 HA GLN A 167 43.336 23.156 14.009 1.00 0.00 H new ATOM 0 HB2 GLN A 167 40.574 21.857 14.085 1.00 0.00 H new ATOM 0 HB3 GLN A 167 40.829 23.581 14.273 1.00 0.00 H new ATOM 0 HG2 GLN A 167 41.956 23.685 12.055 1.00 0.00 H new ATOM 0 HG3 GLN A 167 41.797 21.950 11.870 1.00 0.00 H new ATOM 0 HE21 GLN A 167 40.509 24.516 10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 167 38.802 24.069 10.423 1.00 0.00 H new ATOM 575 N SER A 168 42.337 21.379 16.567 1.00 0.00 N ATOM 576 CA SER A 168 42.262 21.351 18.022 1.00 0.00 C ATOM 577 C SER A 168 43.605 21.737 18.634 1.00 0.00 C ATOM 578 O SER A 168 43.666 22.531 19.573 1.00 0.00 O ATOM 579 CB SER A 168 41.864 19.955 18.500 1.00 0.00 C ATOM 580 OG SER A 168 40.582 19.629 17.979 1.00 0.00 O ATOM 0 H SER A 168 42.168 20.480 16.115 1.00 0.00 H new ATOM 0 HA SER A 168 41.508 22.071 18.341 1.00 0.00 H new ATOM 0 HB2 SER A 168 42.600 19.222 18.171 1.00 0.00 H new ATOM 0 HB3 SER A 168 41.846 19.922 19.589 1.00 0.00 H new ATOM 0 HG SER A 168 40.639 19.534 17.005 1.00 0.00 H new ATOM 586 N GLN A 169 44.679 21.169 18.096 1.00 0.00 N ATOM 587 CA GLN A 169 46.016 21.446 18.608 1.00 0.00 C ATOM 588 C GLN A 169 46.310 22.942 18.553 1.00 0.00 C ATOM 589 O GLN A 169 47.323 23.404 19.078 1.00 0.00 O ATOM 590 CB GLN A 169 47.059 20.688 17.785 1.00 0.00 C ATOM 591 CG GLN A 169 46.953 19.190 18.081 1.00 0.00 C ATOM 592 CD GLN A 169 47.914 18.413 17.189 1.00 0.00 C ATOM 593 OE1 GLN A 169 48.028 18.703 15.997 1.00 0.00 O ATOM 594 NE2 GLN A 169 48.616 17.437 17.695 1.00 0.00 N ATOM 0 H GLN A 169 44.651 20.518 17.311 1.00 0.00 H new ATOM 0 HA GLN A 169 46.063 21.115 19.645 1.00 0.00 H new ATOM 0 HB2 GLN A 169 46.902 20.871 16.722 1.00 0.00 H new ATOM 0 HB3 GLN A 169 48.059 21.047 18.026 1.00 0.00 H new ATOM 0 HG2 GLN A 169 47.184 19.001 19.129 1.00 0.00 H new ATOM 0 HG3 GLN A 169 45.931 18.849 17.913 1.00 0.00 H new ATOM 0 HE21 GLN A 169 48.520 17.198 18.682 1.00 0.00 H new ATOM 0 HE22 GLN A 169 49.261 16.912 17.104 1.00 0.00 H new ATOM 823 N ILE B 214 50.190 10.428 17.202 1.00 0.00 N ATOM 824 CA ILE B 214 50.459 11.707 16.556 1.00 0.00 C ATOM 825 C ILE B 214 50.110 11.642 15.073 1.00 0.00 C ATOM 826 O ILE B 214 50.521 10.720 14.368 1.00 0.00 O ATOM 827 CB ILE B 214 51.936 12.074 16.720 1.00 0.00 C ATOM 828 CG1 ILE B 214 52.259 12.227 18.207 1.00 0.00 C ATOM 829 CG2 ILE B 214 52.216 13.394 15.999 1.00 0.00 C ATOM 830 CD1 ILE B 214 53.774 12.340 18.391 1.00 0.00 C ATOM 0 HA ILE B 214 49.841 12.470 17.029 1.00 0.00 H new ATOM 0 HB ILE B 214 52.557 11.287 16.291 1.00 0.00 H new ATOM 0 HG12 ILE B 214 51.766 13.113 18.608 1.00 0.00 H new ATOM 0 HG13 ILE B 214 51.877 11.371 18.763 1.00 0.00 H new ATOM 0 HG21 ILE B 214 53.268 13.656 16.115 1.00 0.00 H new ATOM 0 HG22 ILE B 214 51.984 13.286 14.939 1.00 0.00 H new ATOM 0 HG23 ILE B 214 51.596 14.181 16.428 1.00 0.00 H new ATOM 0 HD11 ILE B 214 54.005 12.449 19.451 1.00 0.00 H new ATOM 0 HD12 ILE B 214 54.255 11.441 18.005 1.00 0.00 H new ATOM 0 HD13 ILE B 214 54.143 13.210 17.848 1.00 0.00 H new ATOM 842 N VAL B 215 49.350 12.626 14.606 1.00 0.00 N ATOM 843 CA VAL B 215 48.964 12.678 13.200 1.00 0.00 C ATOM 844 C VAL B 215 50.036 13.384 12.375 1.00 0.00 C ATOM 845 O VAL B 215 50.529 14.446 12.756 1.00 0.00 O ATOM 846 CB VAL B 215 47.635 13.420 13.052 1.00 0.00 C ATOM 847 CG1 VAL B 215 47.281 13.543 11.569 1.00 0.00 C ATOM 848 CG2 VAL B 215 46.534 12.637 13.773 1.00 0.00 C ATOM 0 H VAL B 215 48.991 13.393 15.175 1.00 0.00 H new ATOM 0 HA VAL B 215 48.854 11.657 12.835 1.00 0.00 H new ATOM 0 HB VAL B 215 47.723 14.415 13.488 1.00 0.00 H new ATOM 0 HG11 VAL B 215 46.334 14.072 11.464 1.00 0.00 H new ATOM 0 HG12 VAL B 215 48.065 14.097 11.052 1.00 0.00 H new ATOM 0 HG13 VAL B 215 47.192 12.548 11.133 1.00 0.00 H new ATOM 0 HG21 VAL B 215 45.585 13.164 13.669 1.00 0.00 H new ATOM 0 HG22 VAL B 215 46.447 11.643 13.334 1.00 0.00 H new ATOM 0 HG23 VAL B 215 46.785 12.546 14.830 1.00 0.00 H new ATOM 858 N THR B 216 50.390 12.787 11.242 1.00 0.00 N ATOM 859 CA THR B 216 51.416 13.359 10.377 1.00 0.00 C ATOM 860 C THR B 216 50.778 14.061 9.183 1.00 0.00 C ATOM 861 O THR B 216 49.713 13.660 8.711 1.00 0.00 O ATOM 862 CB THR B 216 52.356 12.258 9.882 1.00 0.00 C ATOM 863 OG1 THR B 216 51.591 11.201 9.322 1.00 0.00 O ATOM 864 CG2 THR B 216 53.184 11.727 11.053 1.00 0.00 C ATOM 0 H THR B 216 49.986 11.914 10.903 1.00 0.00 H new ATOM 0 HA THR B 216 51.985 14.089 10.953 1.00 0.00 H new ATOM 0 HB THR B 216 53.024 12.664 9.123 1.00 0.00 H new ATOM 0 HG1 THR B 216 51.760 10.375 9.821 1.00 0.00 H new ATOM 0 HG21 THR B 216 53.853 10.943 10.699 1.00 0.00 H new ATOM 0 HG22 THR B 216 53.771 12.539 11.481 1.00 0.00 H new ATOM 0 HG23 THR B 216 52.518 11.320 11.814 1.00 0.00 H new ATOM 872 N ASP B 217 51.435 15.110 8.697 1.00 0.00 N ATOM 873 CA ASP B 217 50.919 15.861 7.560 1.00 0.00 C ATOM 874 C ASP B 217 50.851 14.977 6.318 1.00 0.00 C ATOM 875 O ASP B 217 49.907 15.063 5.534 1.00 0.00 O ATOM 876 CB ASP B 217 51.818 17.068 7.280 1.00 0.00 C ATOM 877 CG ASP B 217 51.407 18.239 8.165 1.00 0.00 C ATOM 878 OD1 ASP B 217 50.389 18.128 8.828 1.00 0.00 O ATOM 879 OD2 ASP B 217 52.115 19.233 8.166 1.00 0.00 O ATOM 0 H ASP B 217 52.319 15.456 9.070 1.00 0.00 H new ATOM 0 HA ASP B 217 49.913 16.204 7.803 1.00 0.00 H new ATOM 0 HB2 ASP B 217 52.860 16.808 7.468 1.00 0.00 H new ATOM 0 HB3 ASP B 217 51.744 17.351 6.230 1.00 0.00 H new ATOM 884 N GLU B 218 51.859 14.127 6.147 1.00 0.00 N ATOM 885 CA GLU B 218 51.908 13.238 4.993 1.00 0.00 C ATOM 886 C GLU B 218 50.740 12.257 5.022 1.00 0.00 C ATOM 887 O GLU B 218 49.984 12.149 4.056 1.00 0.00 O ATOM 888 CB GLU B 218 53.227 12.463 4.985 1.00 0.00 C ATOM 889 CG GLU B 218 54.382 13.425 4.704 1.00 0.00 C ATOM 890 CD GLU B 218 55.713 12.691 4.825 1.00 0.00 C ATOM 891 OE1 GLU B 218 55.688 11.493 5.056 1.00 0.00 O ATOM 892 OE2 GLU B 218 56.739 13.337 4.685 1.00 0.00 O ATOM 0 H GLU B 218 52.647 14.036 6.788 1.00 0.00 H new ATOM 0 HA GLU B 218 51.837 13.843 4.089 1.00 0.00 H new ATOM 0 HB2 GLU B 218 53.377 11.969 5.945 1.00 0.00 H new ATOM 0 HB3 GLU B 218 53.197 11.682 4.226 1.00 0.00 H new ATOM 0 HG2 GLU B 218 54.280 13.847 3.704 1.00 0.00 H new ATOM 0 HG3 GLU B 218 54.351 14.258 5.406 1.00 0.00 H new ATOM 899 N ASP B 219 50.600 11.544 6.134 1.00 0.00 N ATOM 900 CA ASP B 219 49.517 10.577 6.280 1.00 0.00 C ATOM 901 C ASP B 219 48.186 11.198 5.870 1.00 0.00 C ATOM 902 O ASP B 219 47.336 10.533 5.278 1.00 0.00 O ATOM 903 CB ASP B 219 49.434 10.100 7.731 1.00 0.00 C ATOM 904 CG ASP B 219 50.614 9.186 8.047 1.00 0.00 C ATOM 905 OD1 ASP B 219 51.315 8.815 7.121 1.00 0.00 O ATOM 906 OD2 ASP B 219 50.798 8.871 9.211 1.00 0.00 O ATOM 0 H ASP B 219 51.218 11.616 6.943 1.00 0.00 H new ATOM 0 HA ASP B 219 49.724 9.727 5.630 1.00 0.00 H new ATOM 0 HB2 ASP B 219 49.436 10.957 8.405 1.00 0.00 H new ATOM 0 HB3 ASP B 219 48.497 9.568 7.895 1.00 0.00 H new ATOM 911 N ILE B 220 48.011 12.476 6.188 1.00 0.00 N ATOM 912 CA ILE B 220 46.776 13.175 5.850 1.00 0.00 C ATOM 913 C ILE B 220 46.695 13.424 4.347 1.00 0.00 C ATOM 914 O ILE B 220 45.644 13.239 3.733 1.00 0.00 O ATOM 915 CB ILE B 220 46.712 14.510 6.595 1.00 0.00 C ATOM 916 CG1 ILE B 220 46.555 14.249 8.094 1.00 0.00 C ATOM 917 CG2 ILE B 220 45.515 15.318 6.092 1.00 0.00 C ATOM 918 CD1 ILE B 220 46.745 15.557 8.864 1.00 0.00 C ATOM 0 H ILE B 220 48.703 13.046 6.676 1.00 0.00 H new ATOM 0 HA ILE B 220 45.934 12.551 6.149 1.00 0.00 H new ATOM 0 HB ILE B 220 47.630 15.070 6.416 1.00 0.00 H new ATOM 0 HG12 ILE B 220 45.568 13.834 8.300 1.00 0.00 H new ATOM 0 HG13 ILE B 220 47.287 13.511 8.424 1.00 0.00 H new ATOM 0 HG21 ILE B 220 45.469 16.269 6.623 1.00 0.00 H new ATOM 0 HG22 ILE B 220 45.624 15.503 5.023 1.00 0.00 H new ATOM 0 HG23 ILE B 220 44.597 14.758 6.271 1.00 0.00 H new ATOM 0 HD11 ILE B 220 46.633 15.370 9.932 1.00 0.00 H new ATOM 0 HD12 ILE B 220 47.741 15.953 8.668 1.00 0.00 H new ATOM 0 HD13 ILE B 220 45.996 16.281 8.542 1.00 0.00 H new ATOM 930 N ARG B 221 47.811 13.847 3.762 1.00 0.00 N ATOM 931 CA ARG B 221 47.855 14.118 2.329 1.00 0.00 C ATOM 932 C ARG B 221 47.479 12.871 1.534 1.00 0.00 C ATOM 933 O ARG B 221 46.763 12.953 0.536 1.00 0.00 O ATOM 934 CB ARG B 221 49.258 14.577 1.927 1.00 0.00 C ATOM 935 CG ARG B 221 49.271 14.937 0.439 1.00 0.00 C ATOM 936 CD ARG B 221 50.662 15.437 0.047 1.00 0.00 C ATOM 937 NE ARG B 221 50.695 15.779 -1.370 1.00 0.00 N ATOM 938 CZ ARG B 221 50.381 17.001 -1.789 1.00 0.00 C ATOM 939 NH1 ARG B 221 50.037 17.918 -0.927 1.00 0.00 N ATOM 940 NH2 ARG B 221 50.417 17.283 -3.063 1.00 0.00 N ATOM 0 H ARG B 221 48.690 14.009 4.253 1.00 0.00 H new ATOM 0 HA ARG B 221 47.136 14.907 2.106 1.00 0.00 H new ATOM 0 HB2 ARG B 221 49.555 15.440 2.523 1.00 0.00 H new ATOM 0 HB3 ARG B 221 49.982 13.787 2.127 1.00 0.00 H new ATOM 0 HG2 ARG B 221 49.004 14.066 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG B 221 48.526 15.705 0.233 1.00 0.00 H new ATOM 0 HD2 ARG B 221 50.924 16.310 0.645 1.00 0.00 H new ATOM 0 HD3 ARG B 221 51.406 14.669 0.260 1.00 0.00 H new ATOM 0 HE ARG B 221 50.963 15.069 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG B 221 50.009 17.697 0.068 1.00 0.00 H new ATOM 0 HH12 ARG B 221 49.796 18.856 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG B 221 50.686 16.566 -3.737 1.00 0.00 H new ATOM 0 HH22 ARG B 221 50.176 18.220 -3.385 1.00 0.00 H new ATOM 954 N LYS B 222 47.968 11.719 1.982 1.00 0.00 N ATOM 955 CA LYS B 222 47.672 10.461 1.306 1.00 0.00 C ATOM 956 C LYS B 222 46.165 10.234 1.231 1.00 0.00 C ATOM 957 O LYS B 222 45.600 10.114 0.144 1.00 0.00 O ATOM 958 CB LYS B 222 48.329 9.298 2.053 1.00 0.00 C ATOM 959 CG LYS B 222 48.124 8.005 1.263 1.00 0.00 C ATOM 960 CD LYS B 222 48.789 6.843 2.004 1.00 0.00 C ATOM 961 CE LYS B 222 48.598 5.552 1.206 1.00 0.00 C ATOM 962 NZ LYS B 222 49.648 5.460 0.152 1.00 0.00 N ATOM 0 H LYS B 222 48.566 11.630 2.803 1.00 0.00 H new ATOM 0 HA LYS B 222 48.071 10.513 0.293 1.00 0.00 H new ATOM 0 HB2 LYS B 222 49.394 9.491 2.185 1.00 0.00 H new ATOM 0 HB3 LYS B 222 47.897 9.201 3.049 1.00 0.00 H new ATOM 0 HG2 LYS B 222 47.059 7.808 1.137 1.00 0.00 H new ATOM 0 HG3 LYS B 222 48.550 8.105 0.265 1.00 0.00 H new ATOM 0 HD2 LYS B 222 49.851 7.045 2.140 1.00 0.00 H new ATOM 0 HD3 LYS B 222 48.355 6.736 2.998 1.00 0.00 H new ATOM 0 HE2 LYS B 222 48.657 4.689 1.870 1.00 0.00 H new ATOM 0 HE3 LYS B 222 47.608 5.536 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 222 49.519 4.582 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 222 49.571 6.277 -0.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 222 50.588 5.456 0.598 1.00 0.00 H new ATOM 976 N GLN B 223 45.521 10.174 2.392 1.00 0.00 N ATOM 977 CA GLN B 223 44.077 9.980 2.443 1.00 0.00 C ATOM 978 C GLN B 223 43.380 10.853 1.405 1.00 0.00 C ATOM 979 O GLN B 223 42.388 10.446 0.801 1.00 0.00 O ATOM 980 CB GLN B 223 43.553 10.325 3.838 1.00 0.00 C ATOM 981 CG GLN B 223 44.132 9.345 4.860 1.00 0.00 C ATOM 982 CD GLN B 223 43.662 7.928 4.548 1.00 0.00 C ATOM 983 OE1 GLN B 223 42.459 7.670 4.492 1.00 0.00 O ATOM 984 NE2 GLN B 223 44.544 6.989 4.338 1.00 0.00 N ATOM 0 H GLN B 223 45.972 10.256 3.303 1.00 0.00 H new ATOM 0 HA GLN B 223 43.863 8.934 2.222 1.00 0.00 H new ATOM 0 HB2 GLN B 223 43.831 11.346 4.100 1.00 0.00 H new ATOM 0 HB3 GLN B 223 42.464 10.278 3.850 1.00 0.00 H new ATOM 0 HG2 GLN B 223 45.221 9.388 4.841 1.00 0.00 H new ATOM 0 HG3 GLN B 223 43.819 9.628 5.865 1.00 0.00 H new ATOM 0 HE21 GLN B 223 45.540 7.205 4.385 1.00 0.00 H new ATOM 0 HE22 GLN B 223 44.237 6.039 4.127 1.00 0.00 H new ATOM 993 N GLU B 224 43.908 12.056 1.202 1.00 0.00 N ATOM 994 CA GLU B 224 43.332 12.977 0.228 1.00 0.00 C ATOM 995 C GLU B 224 43.636 12.512 -1.193 1.00 0.00 C ATOM 996 O GLU B 224 42.763 12.532 -2.062 1.00 0.00 O ATOM 997 CB GLU B 224 43.899 14.382 0.439 1.00 0.00 C ATOM 998 CG GLU B 224 43.210 15.360 -0.515 1.00 0.00 C ATOM 999 CD GLU B 224 43.700 16.780 -0.250 1.00 0.00 C ATOM 1000 OE1 GLU B 224 44.678 16.924 0.464 1.00 0.00 O ATOM 1001 OE2 GLU B 224 43.089 17.702 -0.766 1.00 0.00 O ATOM 0 H GLU B 224 44.727 12.414 1.694 1.00 0.00 H new ATOM 0 HA GLU B 224 42.251 12.997 0.369 1.00 0.00 H new ATOM 0 HB2 GLU B 224 43.746 14.696 1.471 1.00 0.00 H new ATOM 0 HB3 GLU B 224 44.975 14.382 0.262 1.00 0.00 H new ATOM 0 HG2 GLU B 224 43.419 15.081 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU B 224 42.129 15.309 -0.383 1.00 0.00 H new ATOM 1008 N GLU B 225 44.876 12.096 -1.423 1.00 0.00 N ATOM 1009 CA GLU B 225 45.281 11.623 -2.742 1.00 0.00 C ATOM 1010 C GLU B 225 44.478 10.387 -3.138 1.00 0.00 C ATOM 1011 O GLU B 225 44.030 10.266 -4.277 1.00 0.00 O ATOM 1012 CB GLU B 225 46.773 11.286 -2.740 1.00 0.00 C ATOM 1013 CG GLU B 225 47.210 10.900 -4.155 1.00 0.00 C ATOM 1014 CD GLU B 225 48.703 10.589 -4.172 1.00 0.00 C ATOM 1015 OE1 GLU B 225 49.273 10.460 -3.102 1.00 0.00 O ATOM 1016 OE2 GLU B 225 49.254 10.486 -5.256 1.00 0.00 O ATOM 0 H GLU B 225 45.614 12.076 -0.719 1.00 0.00 H new ATOM 0 HA GLU B 225 45.089 12.414 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU B 225 47.350 12.142 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU B 225 46.971 10.466 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU B 225 46.645 10.032 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU B 225 46.991 11.713 -4.847 1.00 0.00 H new ATOM 1023 N ARG B 226 44.304 9.473 -2.190 1.00 0.00 N ATOM 1024 CA ARG B 226 43.551 8.252 -2.449 1.00 0.00 C ATOM 1025 C ARG B 226 42.099 8.578 -2.785 1.00 0.00 C ATOM 1026 O ARG B 226 41.516 7.989 -3.695 1.00 0.00 O ATOM 1027 CB ARG B 226 43.599 7.337 -1.224 1.00 0.00 C ATOM 1028 CG ARG B 226 42.919 6.006 -1.552 1.00 0.00 C ATOM 1029 CD ARG B 226 42.961 5.094 -0.325 1.00 0.00 C ATOM 1030 NE ARG B 226 44.336 4.710 -0.029 1.00 0.00 N ATOM 1031 CZ ARG B 226 44.675 4.233 1.165 1.00 0.00 C ATOM 1032 NH1 ARG B 226 43.771 4.101 2.096 1.00 0.00 N ATOM 1033 NH2 ARG B 226 45.912 3.896 1.406 1.00 0.00 N ATOM 0 H ARG B 226 44.671 9.553 -1.242 1.00 0.00 H new ATOM 0 HA ARG B 226 44.004 7.743 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG B 226 44.633 7.165 -0.926 1.00 0.00 H new ATOM 0 HB3 ARG B 226 43.100 7.814 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG B 226 41.886 6.178 -1.855 1.00 0.00 H new ATOM 0 HG3 ARG B 226 43.422 5.526 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG B 226 42.526 5.607 0.533 1.00 0.00 H new ATOM 0 HD3 ARG B 226 42.358 4.204 -0.504 1.00 0.00 H new ATOM 0 HE ARG B 226 45.050 4.809 -0.750 1.00 0.00 H new ATOM 0 HH11 ARG B 226 42.803 4.364 1.908 1.00 0.00 H new ATOM 0 HH12 ARG B 226 44.032 3.735 3.012 1.00 0.00 H new ATOM 0 HH21 ARG B 226 46.619 3.998 0.678 1.00 0.00 H new ATOM 0 HH22 ARG B 226 46.172 3.530 2.322 1.00 0.00 H new ATOM 1047 N VAL B 227 41.523 9.519 -2.046 1.00 0.00 N ATOM 1048 CA VAL B 227 40.140 9.920 -2.278 1.00 0.00 C ATOM 1049 C VAL B 227 39.993 10.567 -3.651 1.00 0.00 C ATOM 1050 O VAL B 227 39.034 10.298 -4.375 1.00 0.00 O ATOM 1051 CB VAL B 227 39.693 10.904 -1.196 1.00 0.00 C ATOM 1052 CG1 VAL B 227 38.342 11.508 -1.582 1.00 0.00 C ATOM 1053 CG2 VAL B 227 39.558 10.167 0.137 1.00 0.00 C ATOM 0 H VAL B 227 41.988 10.016 -1.286 1.00 0.00 H new ATOM 0 HA VAL B 227 39.512 9.030 -2.240 1.00 0.00 H new ATOM 0 HB VAL B 227 40.432 11.699 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL B 227 38.023 12.209 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL B 227 38.436 12.032 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL B 227 37.602 10.713 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL B 227 39.239 10.867 0.909 1.00 0.00 H new ATOM 0 HG22 VAL B 227 38.818 9.372 0.040 1.00 0.00 H new ATOM 0 HG23 VAL B 227 40.520 9.735 0.413 1.00 0.00 H new ATOM 1063 N GLN B 228 40.947 11.422 -4.002 1.00 0.00 N ATOM 1064 CA GLN B 228 40.908 12.110 -5.288 1.00 0.00 C ATOM 1065 C GLN B 228 40.908 11.104 -6.434 1.00 0.00 C ATOM 1066 O GLN B 228 40.218 11.291 -7.436 1.00 0.00 O ATOM 1067 CB GLN B 228 42.118 13.037 -5.421 1.00 0.00 C ATOM 1068 CG GLN B 228 42.025 13.813 -6.736 1.00 0.00 C ATOM 1069 CD GLN B 228 43.151 14.837 -6.818 1.00 0.00 C ATOM 1070 OE1 GLN B 228 43.769 15.164 -5.805 1.00 0.00 O ATOM 1071 NE2 GLN B 228 43.457 15.367 -7.971 1.00 0.00 N ATOM 0 H GLN B 228 41.751 11.654 -3.419 1.00 0.00 H new ATOM 0 HA GLN B 228 39.992 12.699 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN B 228 42.153 13.729 -4.580 1.00 0.00 H new ATOM 0 HB3 GLN B 228 43.040 12.456 -5.394 1.00 0.00 H new ATOM 0 HG2 GLN B 228 42.086 13.125 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN B 228 41.060 14.315 -6.804 1.00 0.00 H new ATOM 0 HE21 GLN B 228 42.944 15.095 -8.810 1.00 0.00 H new ATOM 0 HE22 GLN B 228 44.209 16.053 -8.033 1.00 0.00 H new ATOM 1080 N GLN B 229 41.685 10.037 -6.280 1.00 0.00 N ATOM 1081 CA GLN B 229 41.769 9.009 -7.310 1.00 0.00 C ATOM 1082 C GLN B 229 40.417 8.328 -7.499 1.00 0.00 C ATOM 1083 O GLN B 229 40.002 8.049 -8.624 1.00 0.00 O ATOM 1084 CB GLN B 229 42.819 7.966 -6.924 1.00 0.00 C ATOM 1085 CG GLN B 229 44.215 8.582 -7.032 1.00 0.00 C ATOM 1086 CD GLN B 229 45.266 7.573 -6.583 1.00 0.00 C ATOM 1087 OE1 GLN B 229 44.940 6.422 -6.291 1.00 0.00 O ATOM 1088 NE2 GLN B 229 46.518 7.937 -6.512 1.00 0.00 N ATOM 0 H GLN B 229 42.262 9.862 -5.457 1.00 0.00 H new ATOM 0 HA GLN B 229 42.058 9.484 -8.248 1.00 0.00 H new ATOM 0 HB2 GLN B 229 42.642 7.616 -5.907 1.00 0.00 H new ATOM 0 HB3 GLN B 229 42.742 7.097 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN B 229 44.408 8.888 -8.060 1.00 0.00 H new ATOM 0 HG3 GLN B 229 44.274 9.480 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN B 229 46.786 8.891 -6.754 1.00 0.00 H new ATOM 0 HE22 GLN B 229 47.228 7.268 -6.214 1.00 0.00 H new ATOM 1097 N VAL B 230 39.734 8.060 -6.390 1.00 0.00 N ATOM 1098 CA VAL B 230 38.430 7.410 -6.445 1.00 0.00 C ATOM 1099 C VAL B 230 37.425 8.290 -7.182 1.00 0.00 C ATOM 1100 O VAL B 230 36.667 7.809 -8.026 1.00 0.00 O ATOM 1101 CB VAL B 230 37.925 7.132 -5.029 1.00 0.00 C ATOM 1102 CG1 VAL B 230 36.466 6.675 -5.087 1.00 0.00 C ATOM 1103 CG2 VAL B 230 38.778 6.033 -4.392 1.00 0.00 C ATOM 0 H VAL B 230 40.059 8.281 -5.449 1.00 0.00 H new ATOM 0 HA VAL B 230 38.536 6.468 -6.984 1.00 0.00 H new ATOM 0 HB VAL B 230 37.997 8.041 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL B 230 36.106 6.477 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL B 230 35.858 7.457 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL B 230 36.393 5.765 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL B 230 38.419 5.833 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL B 230 38.705 5.124 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL B 230 39.818 6.358 -4.350 1.00 0.00 H new ATOM 1113 N ARG B 231 37.423 9.578 -6.859 1.00 0.00 N ATOM 1114 CA ARG B 231 36.507 10.516 -7.499 1.00 0.00 C ATOM 1115 C ARG B 231 36.811 10.627 -8.990 1.00 0.00 C ATOM 1116 O ARG B 231 35.900 10.692 -9.816 1.00 0.00 O ATOM 1117 CB ARG B 231 36.628 11.893 -6.846 1.00 0.00 C ATOM 1118 CG ARG B 231 35.606 12.846 -7.471 1.00 0.00 C ATOM 1119 CD ARG B 231 35.703 14.214 -6.795 1.00 0.00 C ATOM 1120 NE ARG B 231 36.976 14.847 -7.116 1.00 0.00 N ATOM 1121 CZ ARG B 231 37.348 15.981 -6.530 1.00 0.00 C ATOM 1122 NH1 ARG B 231 36.568 16.545 -5.648 1.00 0.00 N ATOM 1123 NH2 ARG B 231 38.491 16.529 -6.836 1.00 0.00 N ATOM 0 H ARG B 231 38.041 9.995 -6.163 1.00 0.00 H new ATOM 0 HA ARG B 231 35.490 10.145 -7.374 1.00 0.00 H new ATOM 0 HB2 ARG B 231 36.458 11.814 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG B 231 37.636 12.284 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG B 231 35.791 12.943 -8.541 1.00 0.00 H new ATOM 0 HG3 ARG B 231 34.600 12.443 -7.357 1.00 0.00 H new ATOM 0 HD2 ARG B 231 34.880 14.849 -7.124 1.00 0.00 H new ATOM 0 HD3 ARG B 231 35.607 14.101 -5.715 1.00 0.00 H new ATOM 0 HE ARG B 231 37.593 14.412 -7.802 1.00 0.00 H new ATOM 0 HH11 ARG B 231 35.674 16.116 -5.409 1.00 0.00 H new ATOM 0 HH12 ARG B 231 36.852 17.415 -5.198 1.00 0.00 H new ATOM 0 HH21 ARG B 231 39.100 16.088 -7.525 1.00 0.00 H new ATOM 0 HH22 ARG B 231 38.776 17.399 -6.386 1.00 0.00 H new ATOM 1137 N LYS B 232 38.096 10.647 -9.328 1.00 0.00 N ATOM 1138 CA LYS B 232 38.508 10.755 -10.722 1.00 0.00 C ATOM 1139 C LYS B 232 37.867 9.651 -11.556 1.00 0.00 C ATOM 1140 O LYS B 232 37.326 9.906 -12.632 1.00 0.00 O ATOM 1141 CB LYS B 232 40.031 10.658 -10.826 1.00 0.00 C ATOM 1142 CG LYS B 232 40.458 10.871 -12.279 1.00 0.00 C ATOM 1143 CD LYS B 232 41.984 10.814 -12.377 1.00 0.00 C ATOM 1144 CE LYS B 232 42.413 11.058 -13.825 1.00 0.00 C ATOM 1145 NZ LYS B 232 43.901 11.055 -13.910 1.00 0.00 N ATOM 0 H LYS B 232 38.865 10.590 -8.661 1.00 0.00 H new ATOM 0 HA LYS B 232 38.180 11.721 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS B 232 40.498 11.406 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS B 232 40.369 9.683 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS B 232 40.013 10.106 -12.916 1.00 0.00 H new ATOM 0 HG3 LYS B 232 40.096 11.834 -12.638 1.00 0.00 H new ATOM 0 HD2 LYS B 232 42.429 11.564 -11.724 1.00 0.00 H new ATOM 0 HD3 LYS B 232 42.345 9.843 -12.039 1.00 0.00 H new ATOM 0 HE2 LYS B 232 42.000 10.285 -14.473 1.00 0.00 H new ATOM 0 HE3 LYS B 232 42.020 12.012 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS B 232 44.193 11.221 -14.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 232 44.285 11.808 -13.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 232 44.265 10.134 -13.591 1.00 0.00 H new ATOM 1159 N LYS B 233 37.932 8.423 -11.052 1.00 0.00 N ATOM 1160 CA LYS B 233 37.352 7.286 -11.758 1.00 0.00 C ATOM 1161 C LYS B 233 35.834 7.422 -11.835 1.00 0.00 C ATOM 1162 O LYS B 233 35.261 7.473 -12.923 1.00 0.00 O ATOM 1163 CB LYS B 233 37.714 5.985 -11.039 1.00 0.00 C ATOM 1164 CG LYS B 233 39.217 5.731 -11.168 1.00 0.00 C ATOM 1165 CD LYS B 233 39.564 4.383 -10.531 1.00 0.00 C ATOM 1166 CE LYS B 233 39.600 4.532 -9.009 1.00 0.00 C ATOM 1167 NZ LYS B 233 40.205 3.310 -8.406 1.00 0.00 N ATOM 0 H LYS B 233 38.377 8.190 -10.164 1.00 0.00 H new ATOM 0 HA LYS B 233 37.756 7.266 -12.770 1.00 0.00 H new ATOM 0 HB2 LYS B 233 37.434 6.048 -9.987 1.00 0.00 H new ATOM 0 HB3 LYS B 233 37.156 5.153 -11.468 1.00 0.00 H new ATOM 0 HG2 LYS B 233 39.508 5.735 -12.218 1.00 0.00 H new ATOM 0 HG3 LYS B 233 39.775 6.530 -10.680 1.00 0.00 H new ATOM 0 HD2 LYS B 233 38.826 3.633 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS B 233 40.530 4.034 -10.896 1.00 0.00 H new ATOM 0 HE2 LYS B 233 40.180 5.413 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS B 233 38.591 4.680 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 40.230 3.410 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 39.634 2.479 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 41.173 3.188 -8.766 1.00 0.00 H new ATOM 1181 N LEU B 234 35.191 7.481 -10.673 1.00 0.00 N ATOM 1182 CA LEU B 234 33.741 7.624 -10.621 1.00 0.00 C ATOM 1183 C LEU B 234 33.249 8.507 -11.764 1.00 0.00 C ATOM 1184 O LEU B 234 32.287 8.168 -12.453 1.00 0.00 O ATOM 1185 CB LEU B 234 33.324 8.237 -9.283 1.00 0.00 C ATOM 1186 CG LEU B 234 33.575 7.230 -8.160 1.00 0.00 C ATOM 1187 CD1 LEU B 234 33.320 7.898 -6.808 1.00 0.00 C ATOM 1188 CD2 LEU B 234 32.630 6.037 -8.325 1.00 0.00 C ATOM 0 H LEU B 234 35.647 7.432 -9.762 1.00 0.00 H new ATOM 0 HA LEU B 234 33.293 6.635 -10.722 1.00 0.00 H new ATOM 0 HB2 LEU B 234 33.888 9.151 -9.098 1.00 0.00 H new ATOM 0 HB3 LEU B 234 32.270 8.512 -9.310 1.00 0.00 H new ATOM 0 HG LEU B 234 34.608 6.886 -8.206 1.00 0.00 H new ATOM 0 HD11 LEU B 234 33.499 7.180 -6.008 1.00 0.00 H new ATOM 0 HD12 LEU B 234 33.992 8.748 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU B 234 32.287 8.243 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU B 234 32.808 5.318 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU B 234 31.597 6.382 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU B 234 32.811 5.560 -9.288 1.00 0.00 H new ATOM 1200 N GLU B 235 33.916 9.640 -11.958 1.00 0.00 N ATOM 1201 CA GLU B 235 33.539 10.563 -13.022 1.00 0.00 C ATOM 1202 C GLU B 235 33.813 9.944 -14.389 1.00 0.00 C ATOM 1203 O GLU B 235 33.056 10.149 -15.337 1.00 0.00 O ATOM 1204 CB GLU B 235 34.324 11.869 -12.884 1.00 0.00 C ATOM 1205 CG GLU B 235 33.912 12.580 -11.593 1.00 0.00 C ATOM 1206 CD GLU B 235 32.439 12.970 -11.661 1.00 0.00 C ATOM 1207 OE1 GLU B 235 31.912 13.029 -12.761 1.00 0.00 O ATOM 1208 OE2 GLU B 235 31.860 13.203 -10.614 1.00 0.00 O ATOM 0 H GLU B 235 34.714 9.939 -11.397 1.00 0.00 H new ATOM 0 HA GLU B 235 32.472 10.771 -12.937 1.00 0.00 H new ATOM 0 HB2 GLU B 235 35.394 11.663 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU B 235 34.133 12.513 -13.743 1.00 0.00 H new ATOM 0 HG2 GLU B 235 34.085 11.927 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU B 235 34.526 13.469 -11.445 1.00 0.00 H new ATOM 1215 N GLU B 236 34.900 9.186 -14.481 1.00 0.00 N ATOM 1216 CA GLU B 236 35.269 8.543 -15.737 1.00 0.00 C ATOM 1217 C GLU B 236 34.210 7.523 -16.147 1.00 0.00 C ATOM 1218 O GLU B 236 33.784 7.488 -17.300 1.00 0.00 O ATOM 1219 CB GLU B 236 36.622 7.847 -15.590 1.00 0.00 C ATOM 1220 CG GLU B 236 37.054 7.279 -16.943 1.00 0.00 C ATOM 1221 CD GLU B 236 37.357 8.414 -17.914 1.00 0.00 C ATOM 1222 OE1 GLU B 236 37.403 9.550 -17.469 1.00 0.00 O ATOM 1223 OE2 GLU B 236 37.537 8.134 -19.086 1.00 0.00 O ATOM 0 H GLU B 236 35.538 9.002 -13.706 1.00 0.00 H new ATOM 0 HA GLU B 236 35.338 9.309 -16.510 1.00 0.00 H new ATOM 0 HB2 GLU B 236 37.368 8.553 -15.225 1.00 0.00 H new ATOM 0 HB3 GLU B 236 36.553 7.047 -14.853 1.00 0.00 H new ATOM 0 HG2 GLU B 236 37.936 6.652 -16.818 1.00 0.00 H new ATOM 0 HG3 GLU B 236 36.266 6.644 -17.348 1.00 0.00 H new ATOM 1230 N ALA B 237 33.791 6.698 -15.193 1.00 0.00 N ATOM 1231 CA ALA B 237 32.783 5.680 -15.468 1.00 0.00 C ATOM 1232 C ALA B 237 31.456 6.330 -15.842 1.00 0.00 C ATOM 1233 O ALA B 237 30.616 5.716 -16.502 1.00 0.00 O ATOM 1234 CB ALA B 237 32.590 4.790 -14.240 1.00 0.00 C ATOM 0 H ALA B 237 34.130 6.713 -14.231 1.00 0.00 H new ATOM 0 HA ALA B 237 33.126 5.072 -16.305 1.00 0.00 H new ATOM 0 HB1 ALA B 237 31.836 4.033 -14.454 1.00 0.00 H new ATOM 0 HB2 ALA B 237 33.533 4.303 -13.992 1.00 0.00 H new ATOM 0 HB3 ALA B 237 32.264 5.399 -13.397 1.00 0.00 H new ATOM 1240 N LEU B 238 31.273 7.576 -15.417 1.00 0.00 N ATOM 1241 CA LEU B 238 30.041 8.300 -15.708 1.00 0.00 C ATOM 1242 C LEU B 238 30.133 8.990 -17.065 1.00 0.00 C ATOM 1243 O LEU B 238 29.124 9.194 -17.739 1.00 0.00 O ATOM 1244 CB LEU B 238 29.777 9.342 -14.619 1.00 0.00 C ATOM 1245 CG LEU B 238 29.426 8.634 -13.309 1.00 0.00 C ATOM 1246 CD1 LEU B 238 29.430 9.647 -12.164 1.00 0.00 C ATOM 1247 CD2 LEU B 238 28.036 8.006 -13.428 1.00 0.00 C ATOM 0 H LEU B 238 31.957 8.102 -14.874 1.00 0.00 H new ATOM 0 HA LEU B 238 29.219 7.585 -15.732 1.00 0.00 H new ATOM 0 HB2 LEU B 238 30.657 9.970 -14.481 1.00 0.00 H new ATOM 0 HB3 LEU B 238 28.961 9.999 -14.920 1.00 0.00 H new ATOM 0 HG LEU B 238 30.162 7.856 -13.108 1.00 0.00 H new ATOM 0 HD11 LEU B 238 29.180 9.142 -11.231 1.00 0.00 H new ATOM 0 HD12 LEU B 238 30.419 10.097 -12.079 1.00 0.00 H new ATOM 0 HD13 LEU B 238 28.694 10.425 -12.364 1.00 0.00 H new ATOM 0 HD21 LEU B 238 27.784 7.501 -12.496 1.00 0.00 H new ATOM 0 HD22 LEU B 238 27.301 8.785 -13.629 1.00 0.00 H new ATOM 0 HD23 LEU B 238 28.032 7.284 -14.244 1.00 0.00 H new ATOM 1259 N MET B 239 31.352 9.346 -17.458 1.00 0.00 N ATOM 1260 CA MET B 239 31.565 10.013 -18.737 1.00 0.00 C ATOM 1261 C MET B 239 31.401 9.026 -19.889 1.00 0.00 C ATOM 1262 O MET B 239 31.379 9.417 -21.056 1.00 0.00 O ATOM 1263 CB MET B 239 32.969 10.622 -18.781 1.00 0.00 C ATOM 1264 CG MET B 239 32.928 12.041 -18.212 1.00 0.00 C ATOM 1265 SD MET B 239 31.885 12.069 -16.733 1.00 0.00 S ATOM 1266 CE MET B 239 31.063 13.646 -17.063 1.00 0.00 C ATOM 0 H MET B 239 32.200 9.186 -16.915 1.00 0.00 H new ATOM 0 HA MET B 239 30.822 10.804 -18.842 1.00 0.00 H new ATOM 0 HB2 MET B 239 33.661 10.008 -18.205 1.00 0.00 H new ATOM 0 HB3 MET B 239 33.337 10.641 -19.807 1.00 0.00 H new ATOM 0 HG2 MET B 239 33.936 12.374 -17.965 1.00 0.00 H new ATOM 0 HG3 MET B 239 32.537 12.732 -18.959 1.00 0.00 H new ATOM 0 HE1 MET B 239 30.360 13.865 -16.259 1.00 0.00 H new ATOM 0 HE2 MET B 239 31.808 14.440 -17.120 1.00 0.00 H new ATOM 0 HE3 MET B 239 30.525 13.585 -18.009 1.00 0.00 H new