USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 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 Single : A 1 KDH O02 : rot -131:sc= 0.53 USER MOD Single : A 1 KDH O03 : rot -120:sc= -0.0538 USER MOD Single : A 1 KDH O1 : rot -1:sc= 0.0373 USER MOD Single : A 1 KDH O10 : rot 97:sc= 0.198 USER MOD Single : A 1 KDH O44 : rot -179:sc= 0.229 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.0391 USER MOD Single : A 1 KDH O50 : rot 160:sc= 0.00736 USER MOD Single : A 1 KDH O7 : rot 174:sc= 0.0871 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 178:sc= 0.288 (180deg=0.278) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.56) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -155:sc= -2.51 (180deg=-3.96) USER MOD Single : A 122 GLN :FLIP amide:sc= -0.199 F(o=-0.77,f=-0.2) USER MOD Single : A 124 THR OG1 : rot -33:sc= 0.025 USER MOD Single : A 127 THR OG1 : rot 48:sc= 1.09 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 173:sc= -6.61! (180deg=-7.48!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -4.4! C(o=-4.4!,f=-7.1!) USER MOD Single : A 144 ASN : amide:sc= -1.41 X(o=-1.4,f=-0.99!) USER MOD Single : A 150 TYR OH : rot -79:sc= 1.06 USER MOD Single : A 157 MET CE :methyl -178:sc=-0.00511 (180deg=-0.0163) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 13.410 8.692 1.912 1.00 2.87 N ATOM 2 CA MET A 90 12.640 7.469 1.543 1.00 2.20 C ATOM 3 C MET A 90 11.168 7.821 1.317 1.00 1.76 C ATOM 4 O MET A 90 10.785 8.973 1.336 1.00 2.23 O ATOM 5 CB MET A 90 12.790 6.530 2.740 1.00 2.68 C ATOM 6 CG MET A 90 13.175 5.134 2.248 1.00 3.11 C ATOM 7 SD MET A 90 14.978 4.994 2.176 1.00 4.08 S ATOM 8 CE MET A 90 15.097 3.296 2.791 1.00 4.71 C ATOM 0 HA MET A 90 13.003 7.014 0.621 1.00 2.20 H new ATOM 0 HB2 MET A 90 13.552 6.910 3.421 1.00 2.68 H new ATOM 0 HB3 MET A 90 11.856 6.485 3.300 1.00 2.68 H new ATOM 0 HG2 MET A 90 12.767 4.376 2.917 1.00 3.11 H new ATOM 0 HG3 MET A 90 12.746 4.953 1.262 1.00 3.11 H new ATOM 0 HE1 MET A 90 16.144 2.996 2.830 1.00 4.71 H new ATOM 0 HE2 MET A 90 14.666 3.240 3.791 1.00 4.71 H new ATOM 0 HE3 MET A 90 14.552 2.628 2.123 1.00 4.71 H new ATOM 20 N GLY A 91 10.339 6.835 1.104 1.00 1.61 N ATOM 21 CA GLY A 91 8.892 7.113 0.877 1.00 1.31 C ATOM 22 C GLY A 91 8.286 5.998 0.023 1.00 1.37 C ATOM 23 O GLY A 91 8.583 5.869 -1.148 1.00 1.61 O ATOM 0 H GLY A 91 10.601 5.850 1.077 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.369 7.179 1.831 1.00 1.31 H new ATOM 0 HA3 GLY A 91 8.769 8.075 0.379 1.00 1.31 H new ATOM 27 N LYS A 92 7.439 5.189 0.600 1.00 1.27 N ATOM 28 CA LYS A 92 6.816 4.082 -0.183 1.00 1.47 C ATOM 29 C LYS A 92 5.310 4.021 0.092 1.00 1.40 C ATOM 30 O LYS A 92 4.525 4.681 -0.559 1.00 1.56 O ATOM 31 CB LYS A 92 7.509 2.810 0.309 1.00 1.61 C ATOM 32 CG LYS A 92 8.998 2.871 -0.039 1.00 1.94 C ATOM 33 CD LYS A 92 9.401 1.605 -0.799 1.00 2.31 C ATOM 34 CE LYS A 92 10.734 1.842 -1.513 1.00 2.59 C ATOM 35 NZ LYS A 92 11.241 0.482 -1.848 1.00 3.20 N ATOM 0 H LYS A 92 7.152 5.246 1.577 1.00 1.27 H new ATOM 0 HA LYS A 92 6.934 4.218 -1.258 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.381 2.707 1.387 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.053 1.934 -0.151 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.204 3.753 -0.646 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.591 2.965 0.871 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.490 0.766 -0.109 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.630 1.342 -1.523 1.00 2.31 H new ATOM 0 HE2 LYS A 92 10.599 2.445 -2.411 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.435 2.377 -0.872 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 12.137 0.564 -2.370 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 11.399 -0.055 -0.972 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 10.542 -0.014 -2.437 1.00 3.20 H new ATOM 49 N SER A 93 4.899 3.236 1.051 1.00 1.38 N ATOM 50 CA SER A 93 3.445 3.138 1.362 1.00 1.40 C ATOM 51 C SER A 93 3.047 4.222 2.368 1.00 1.20 C ATOM 52 O SER A 93 3.884 4.816 3.018 1.00 1.08 O ATOM 53 CB SER A 93 3.263 1.748 1.968 1.00 1.60 C ATOM 54 OG SER A 93 1.937 1.300 1.724 1.00 2.20 O ATOM 0 H SER A 93 5.507 2.659 1.632 1.00 1.38 H new ATOM 0 HA SER A 93 2.822 3.281 0.479 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.980 1.052 1.533 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.458 1.778 3.040 1.00 1.60 H new ATOM 0 HG SER A 93 1.817 0.407 2.110 1.00 2.20 H new ATOM 60 N GLU A 94 1.776 4.486 2.499 1.00 1.26 N ATOM 61 CA GLU A 94 1.328 5.534 3.461 1.00 1.17 C ATOM 62 C GLU A 94 1.982 5.316 4.829 1.00 1.12 C ATOM 63 O GLU A 94 2.082 6.224 5.629 1.00 1.09 O ATOM 64 CB GLU A 94 -0.188 5.368 3.553 1.00 1.33 C ATOM 65 CG GLU A 94 -0.864 6.404 2.653 1.00 1.28 C ATOM 66 CD GLU A 94 -2.059 7.014 3.387 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.851 7.950 4.142 1.00 2.09 O ATOM 68 OE2 GLU A 94 -3.163 6.535 3.182 1.00 1.94 O ATOM 0 H GLU A 94 1.029 4.022 1.982 1.00 1.26 H new ATOM 0 HA GLU A 94 1.607 6.537 3.137 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.475 4.362 3.248 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.518 5.494 4.584 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.153 7.185 2.381 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.194 5.936 1.725 1.00 1.28 H new ATOM 75 N GLU A 95 2.433 4.121 5.103 1.00 1.19 N ATOM 76 CA GLU A 95 3.084 3.858 6.420 1.00 1.23 C ATOM 77 C GLU A 95 4.041 5.003 6.758 1.00 1.03 C ATOM 78 O GLU A 95 3.864 5.708 7.731 1.00 1.01 O ATOM 79 CB GLU A 95 3.853 2.550 6.230 1.00 1.45 C ATOM 80 CG GLU A 95 3.537 1.598 7.385 1.00 1.90 C ATOM 81 CD GLU A 95 4.004 2.219 8.703 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.786 3.405 8.887 1.00 2.66 O ATOM 83 OE2 GLU A 95 4.572 1.497 9.506 1.00 2.49 O ATOM 0 H GLU A 95 2.379 3.319 4.475 1.00 1.19 H new ATOM 0 HA GLU A 95 2.365 3.786 7.236 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.579 2.090 5.281 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.924 2.748 6.191 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.466 1.400 7.424 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.033 0.640 7.227 1.00 1.90 H new ATOM 90 N GLU A 96 5.048 5.199 5.952 1.00 1.02 N ATOM 91 CA GLU A 96 6.011 6.305 6.214 1.00 0.94 C ATOM 92 C GLU A 96 5.596 7.543 5.418 1.00 0.79 C ATOM 93 O GLU A 96 5.923 8.661 5.766 1.00 0.82 O ATOM 94 CB GLU A 96 7.361 5.778 5.728 1.00 1.15 C ATOM 95 CG GLU A 96 8.406 5.953 6.831 1.00 1.62 C ATOM 96 CD GLU A 96 9.450 6.979 6.388 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.556 7.209 5.194 1.00 2.78 O ATOM 98 OE2 GLU A 96 10.126 7.518 7.249 1.00 2.18 O ATOM 0 H GLU A 96 5.246 4.640 5.122 1.00 1.02 H new ATOM 0 HA GLU A 96 6.047 6.593 7.265 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.276 4.726 5.457 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.671 6.314 4.831 1.00 1.15 H new ATOM 0 HG2 GLU A 96 7.926 6.282 7.752 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.887 4.999 7.045 1.00 1.62 H new ATOM 105 N LEU A 97 4.869 7.347 4.352 1.00 0.77 N ATOM 106 CA LEU A 97 4.417 8.501 3.523 1.00 0.71 C ATOM 107 C LEU A 97 3.731 9.547 4.405 1.00 0.67 C ATOM 108 O LEU A 97 3.976 10.731 4.288 1.00 0.75 O ATOM 109 CB LEU A 97 3.419 7.899 2.534 1.00 0.80 C ATOM 110 CG LEU A 97 3.878 8.173 1.102 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.859 9.679 0.839 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.299 7.638 0.913 1.00 1.22 C ATOM 0 H LEU A 97 4.567 6.432 4.018 1.00 0.77 H new ATOM 0 HA LEU A 97 5.244 9.003 3.020 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.333 6.825 2.699 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.430 8.327 2.696 1.00 0.80 H new ATOM 0 HG LEU A 97 3.206 7.676 0.403 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.186 9.874 -0.182 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.846 10.059 0.974 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.531 10.179 1.537 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.628 7.832 -0.108 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.971 8.136 1.612 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.311 6.564 1.100 1.00 1.22 H new ATOM 124 N SER A 98 2.869 9.118 5.286 1.00 0.69 N ATOM 125 CA SER A 98 2.163 10.086 6.175 1.00 0.76 C ATOM 126 C SER A 98 3.144 11.136 6.703 1.00 0.72 C ATOM 127 O SER A 98 2.864 12.318 6.699 1.00 0.77 O ATOM 128 CB SER A 98 1.612 9.240 7.322 1.00 0.92 C ATOM 129 OG SER A 98 1.841 9.912 8.554 1.00 1.57 O ATOM 0 H SER A 98 2.623 8.139 5.429 1.00 0.69 H new ATOM 0 HA SER A 98 1.374 10.627 5.652 1.00 0.76 H new ATOM 0 HB2 SER A 98 0.545 9.067 7.182 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.094 8.263 7.333 1.00 0.92 H new ATOM 0 HG SER A 98 1.487 9.372 9.292 1.00 1.57 H new ATOM 135 N ASP A 99 4.291 10.713 7.159 1.00 0.80 N ATOM 136 CA ASP A 99 5.287 11.690 7.688 1.00 0.86 C ATOM 137 C ASP A 99 6.024 12.372 6.533 1.00 0.81 C ATOM 138 O ASP A 99 6.422 13.516 6.629 1.00 0.91 O ATOM 139 CB ASP A 99 6.256 10.855 8.525 1.00 1.02 C ATOM 140 CG ASP A 99 5.466 9.905 9.427 1.00 1.23 C ATOM 141 OD1 ASP A 99 4.695 10.393 10.237 1.00 1.79 O ATOM 142 OD2 ASP A 99 5.646 8.706 9.293 1.00 1.83 O ATOM 0 H ASP A 99 4.582 9.736 7.189 1.00 0.80 H new ATOM 0 HA ASP A 99 4.819 12.480 8.275 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.919 10.287 7.873 1.00 1.02 H new ATOM 0 HB3 ASP A 99 6.886 11.507 9.130 1.00 1.02 H new ATOM 147 N LEU A 100 6.211 11.682 5.441 1.00 0.75 N ATOM 148 CA LEU A 100 6.923 12.301 4.287 1.00 0.76 C ATOM 149 C LEU A 100 6.216 13.589 3.862 1.00 0.68 C ATOM 150 O LEU A 100 6.844 14.599 3.613 1.00 0.79 O ATOM 151 CB LEU A 100 6.859 11.260 3.170 1.00 0.86 C ATOM 152 CG LEU A 100 7.999 11.509 2.181 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.315 11.015 2.783 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.721 10.754 0.879 1.00 1.41 C ATOM 0 H LEU A 100 5.903 10.720 5.298 1.00 0.75 H new ATOM 0 HA LEU A 100 7.951 12.567 4.533 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.937 10.256 3.588 1.00 0.86 H new ATOM 0 HB3 LEU A 100 5.899 11.318 2.658 1.00 0.86 H new ATOM 0 HG LEU A 100 8.071 12.577 1.974 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.127 11.193 2.078 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.515 11.552 3.710 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.242 9.947 2.991 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.534 10.932 0.175 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.647 9.686 1.086 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.784 11.105 0.448 1.00 1.41 H new ATOM 166 N PHE A 101 4.914 13.563 3.779 1.00 0.60 N ATOM 167 CA PHE A 101 4.173 14.791 3.374 1.00 0.59 C ATOM 168 C PHE A 101 4.624 15.976 4.230 1.00 0.60 C ATOM 169 O PHE A 101 4.720 17.093 3.761 1.00 0.72 O ATOM 170 CB PHE A 101 2.701 14.469 3.631 1.00 0.61 C ATOM 171 CG PHE A 101 1.843 15.608 3.133 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.834 15.934 1.771 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.058 16.338 4.032 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.040 16.990 1.309 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.263 17.394 3.570 1.00 0.90 C ATOM 176 CZ PHE A 101 0.254 17.720 2.209 1.00 0.69 C ATOM 0 H PHE A 101 4.333 12.748 3.973 1.00 0.60 H new ATOM 0 HA PHE A 101 4.351 15.062 2.333 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.426 13.544 3.124 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.533 14.311 4.696 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.440 15.370 1.077 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.065 16.087 5.082 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.034 17.242 0.259 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.343 17.957 4.264 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.359 18.535 1.853 1.00 0.69 H new ATOM 186 N ARG A 102 4.910 15.739 5.482 1.00 0.67 N ATOM 187 CA ARG A 102 5.364 16.850 6.366 1.00 0.76 C ATOM 188 C ARG A 102 6.695 17.405 5.856 1.00 0.68 C ATOM 189 O ARG A 102 6.812 18.571 5.535 1.00 0.78 O ATOM 190 CB ARG A 102 5.537 16.216 7.747 1.00 0.99 C ATOM 191 CG ARG A 102 6.243 17.202 8.680 1.00 1.30 C ATOM 192 CD ARG A 102 7.402 16.496 9.387 1.00 1.45 C ATOM 193 NE ARG A 102 8.412 17.563 9.629 1.00 2.12 N ATOM 194 CZ ARG A 102 9.488 17.303 10.323 1.00 2.71 C ATOM 195 NH1 ARG A 102 9.688 16.104 10.800 1.00 3.07 N ATOM 196 NH2 ARG A 102 10.367 18.243 10.537 1.00 3.37 N ATOM 0 H ARG A 102 4.849 14.825 5.930 1.00 0.67 H new ATOM 0 HA ARG A 102 4.658 17.680 6.390 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.565 15.944 8.158 1.00 0.99 H new ATOM 0 HB3 ARG A 102 6.117 15.297 7.666 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.615 18.054 8.111 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.538 17.592 9.415 1.00 1.30 H new ATOM 0 HD2 ARG A 102 7.076 16.042 10.323 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.812 15.696 8.770 1.00 1.45 H new ATOM 0 HE ARG A 102 8.263 18.499 9.252 1.00 2.12 H new ATOM 0 HH11 ARG A 102 9.003 15.367 10.631 1.00 3.07 H new ATOM 0 HH12 ARG A 102 10.529 15.904 11.341 1.00 3.07 H new ATOM 0 HH21 ARG A 102 10.214 19.179 10.163 1.00 3.37 H new ATOM 0 HH22 ARG A 102 11.208 18.042 11.079 1.00 3.37 H new ATOM 210 N MET A 103 7.699 16.575 5.772 1.00 0.71 N ATOM 211 CA MET A 103 9.020 17.052 5.274 1.00 0.75 C ATOM 212 C MET A 103 8.886 17.547 3.833 1.00 0.68 C ATOM 213 O MET A 103 9.554 18.473 3.419 1.00 0.83 O ATOM 214 CB MET A 103 9.935 15.829 5.339 1.00 0.93 C ATOM 215 CG MET A 103 10.733 15.859 6.642 1.00 1.27 C ATOM 216 SD MET A 103 12.494 15.658 6.277 1.00 1.82 S ATOM 217 CE MET A 103 12.843 14.406 7.536 1.00 2.43 C ATOM 0 H MET A 103 7.661 15.588 6.027 1.00 0.71 H new ATOM 0 HA MET A 103 9.411 17.882 5.863 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.343 14.915 5.283 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.612 15.822 4.485 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.564 16.802 7.163 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.395 15.063 7.306 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.896 14.128 7.491 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.616 14.809 8.523 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.227 13.525 7.354 1.00 2.43 H new ATOM 227 N PHE A 104 8.024 16.936 3.066 1.00 0.68 N ATOM 228 CA PHE A 104 7.844 17.372 1.652 1.00 0.79 C ATOM 229 C PHE A 104 7.579 18.878 1.601 1.00 0.71 C ATOM 230 O PHE A 104 7.909 19.545 0.640 1.00 0.88 O ATOM 231 CB PHE A 104 6.625 16.597 1.150 1.00 0.94 C ATOM 232 CG PHE A 104 7.037 15.691 0.015 1.00 1.31 C ATOM 233 CD1 PHE A 104 7.862 14.588 0.265 1.00 1.26 C ATOM 234 CD2 PHE A 104 6.593 15.952 -1.286 1.00 2.03 C ATOM 235 CE1 PHE A 104 8.243 13.747 -0.787 1.00 1.86 C ATOM 236 CE2 PHE A 104 6.974 15.111 -2.338 1.00 2.65 C ATOM 237 CZ PHE A 104 7.799 14.008 -2.089 1.00 2.56 C ATOM 0 H PHE A 104 7.437 16.154 3.357 1.00 0.68 H new ATOM 0 HA PHE A 104 8.727 17.180 1.042 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.195 16.009 1.961 1.00 0.94 H new ATOM 0 HB3 PHE A 104 5.853 17.290 0.815 1.00 0.94 H new ATOM 0 HD1 PHE A 104 8.204 14.386 1.269 1.00 1.26 H new ATOM 0 HD2 PHE A 104 5.956 16.803 -1.479 1.00 2.03 H new ATOM 0 HE1 PHE A 104 8.880 12.896 -0.594 1.00 1.86 H new ATOM 0 HE2 PHE A 104 6.631 15.313 -3.342 1.00 2.65 H new ATOM 0 HZ PHE A 104 8.093 13.359 -2.901 1.00 2.56 H new ATOM 247 N ASP A 105 6.984 19.416 2.630 1.00 0.61 N ATOM 248 CA ASP A 105 6.696 20.879 2.645 1.00 0.60 C ATOM 249 C ASP A 105 7.985 21.671 2.873 1.00 0.56 C ATOM 250 O ASP A 105 8.580 21.615 3.931 1.00 0.63 O ATOM 251 CB ASP A 105 5.730 21.079 3.813 1.00 0.68 C ATOM 252 CG ASP A 105 4.503 21.854 3.333 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.677 22.775 2.553 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.409 21.514 3.754 1.00 1.45 O ATOM 0 H ASP A 105 6.685 18.906 3.461 1.00 0.61 H new ATOM 0 HA ASP A 105 6.274 21.226 1.702 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.428 20.113 4.218 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.224 21.622 4.619 1.00 0.68 H new ATOM 259 N LYS A 106 8.421 22.409 1.890 1.00 0.59 N ATOM 260 CA LYS A 106 9.671 23.204 2.055 1.00 0.66 C ATOM 261 C LYS A 106 9.376 24.496 2.820 1.00 0.55 C ATOM 262 O LYS A 106 10.252 25.089 3.419 1.00 0.63 O ATOM 263 CB LYS A 106 10.133 23.516 0.632 1.00 0.87 C ATOM 264 CG LYS A 106 11.565 23.014 0.440 1.00 1.21 C ATOM 265 CD LYS A 106 12.489 24.203 0.172 1.00 1.61 C ATOM 266 CE LYS A 106 12.588 25.067 1.430 1.00 1.77 C ATOM 267 NZ LYS A 106 14.042 25.117 1.747 1.00 2.14 N ATOM 0 H LYS A 106 7.967 22.496 0.981 1.00 0.59 H new ATOM 0 HA LYS A 106 10.432 22.666 2.621 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.469 23.040 -0.090 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.085 24.590 0.450 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.895 22.476 1.328 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.607 22.312 -0.393 1.00 1.21 H new ATOM 0 HD2 LYS A 106 13.479 23.850 -0.118 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.106 24.795 -0.659 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.187 26.066 1.256 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.019 24.634 2.253 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.192 25.693 2.600 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.394 24.153 1.914 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.557 25.540 0.949 1.00 2.14 H new ATOM 281 N ASN A 107 8.148 24.937 2.807 1.00 0.48 N ATOM 282 CA ASN A 107 7.799 26.189 3.535 1.00 0.50 C ATOM 283 C ASN A 107 7.040 25.857 4.823 1.00 0.58 C ATOM 284 O ASN A 107 6.785 26.716 5.644 1.00 0.70 O ATOM 285 CB ASN A 107 6.906 26.975 2.574 1.00 0.54 C ATOM 286 CG ASN A 107 6.321 28.188 3.299 1.00 0.70 C ATOM 287 OD1 ASN A 107 7.030 28.903 3.980 1.00 1.00 O ATOM 288 ND2 ASN A 107 5.049 28.452 3.182 1.00 0.78 N ATOM 0 H ASN A 107 7.372 24.485 2.324 1.00 0.48 H new ATOM 0 HA ASN A 107 8.683 26.757 3.824 1.00 0.50 H new ATOM 0 HB2 ASN A 107 7.482 27.299 1.707 1.00 0.54 H new ATOM 0 HB3 ASN A 107 6.103 26.338 2.203 1.00 0.54 H new ATOM 0 HD21 ASN A 107 4.649 29.258 3.662 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.454 27.852 2.611 1.00 0.78 H new ATOM 295 N ALA A 108 6.680 24.616 5.006 1.00 0.65 N ATOM 296 CA ALA A 108 5.940 24.227 6.242 1.00 0.84 C ATOM 297 C ALA A 108 4.668 25.067 6.389 1.00 0.78 C ATOM 298 O ALA A 108 4.637 26.043 7.111 1.00 0.96 O ATOM 299 CB ALA A 108 6.909 24.516 7.389 1.00 1.03 C ATOM 0 H ALA A 108 6.866 23.854 4.354 1.00 0.65 H new ATOM 0 HA ALA A 108 5.627 23.183 6.223 1.00 0.84 H new ATOM 0 HB1 ALA A 108 6.438 24.256 8.337 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.814 23.923 7.258 1.00 1.03 H new ATOM 0 HB3 ALA A 108 7.166 25.575 7.390 1.00 1.03 H new ATOM 305 N ASP A 109 3.616 24.693 5.710 1.00 0.73 N ATOM 306 CA ASP A 109 2.347 25.470 5.814 1.00 0.74 C ATOM 307 C ASP A 109 1.138 24.537 5.682 1.00 0.78 C ATOM 308 O ASP A 109 0.017 24.977 5.523 1.00 0.96 O ATOM 309 CB ASP A 109 2.396 26.466 4.652 1.00 0.72 C ATOM 310 CG ASP A 109 2.067 25.749 3.342 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.203 24.538 3.303 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.682 26.423 2.400 1.00 1.95 O ATOM 0 H ASP A 109 3.581 23.885 5.089 1.00 0.73 H new ATOM 0 HA ASP A 109 2.248 25.974 6.776 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.685 27.274 4.823 1.00 0.72 H new ATOM 0 HB3 ASP A 109 3.385 26.919 4.591 1.00 0.72 H new ATOM 317 N GLY A 110 1.357 23.252 5.748 1.00 0.76 N ATOM 318 CA GLY A 110 0.221 22.293 5.630 1.00 0.85 C ATOM 319 C GLY A 110 -0.102 22.050 4.153 1.00 0.70 C ATOM 320 O GLY A 110 -1.032 21.341 3.823 1.00 0.73 O ATOM 0 H GLY A 110 2.274 22.824 5.879 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.476 21.351 6.116 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.656 22.689 6.143 1.00 0.85 H new ATOM 324 N TYR A 111 0.655 22.629 3.262 1.00 0.68 N ATOM 325 CA TYR A 111 0.383 22.424 1.808 1.00 0.60 C ATOM 326 C TYR A 111 1.654 22.658 0.987 1.00 0.58 C ATOM 327 O TYR A 111 2.643 23.158 1.482 1.00 0.83 O ATOM 328 CB TYR A 111 -0.681 23.464 1.453 1.00 0.68 C ATOM 329 CG TYR A 111 -1.884 23.285 2.347 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.801 22.258 2.092 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.082 24.147 3.432 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.917 22.094 2.922 1.00 0.78 C ATOM 333 CE2 TYR A 111 -3.197 23.983 4.262 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.114 22.956 4.007 1.00 0.80 C ATOM 335 OH TYR A 111 -5.213 22.795 4.826 1.00 0.90 O ATOM 0 H TYR A 111 1.448 23.234 3.475 1.00 0.68 H new ATOM 0 HA TYR A 111 0.051 21.408 1.593 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.275 24.469 1.570 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.973 23.358 0.408 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.648 21.592 1.255 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -1.374 24.939 3.629 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.625 21.303 2.725 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -3.350 24.648 5.099 1.00 0.83 H new ATOM 0 HH TYR A 111 -5.198 23.475 5.531 1.00 0.90 H new ATOM 345 N ILE A 112 1.635 22.298 -0.267 1.00 0.50 N ATOM 346 CA ILE A 112 2.841 22.499 -1.120 1.00 0.50 C ATOM 347 C ILE A 112 2.446 23.135 -2.456 1.00 0.49 C ATOM 348 O ILE A 112 1.511 22.710 -3.105 1.00 0.66 O ATOM 349 CB ILE A 112 3.406 21.097 -1.339 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.111 20.629 -0.064 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.406 21.123 -2.496 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.277 19.109 -0.101 1.00 0.66 C ATOM 0 H ILE A 112 0.836 21.873 -0.738 1.00 0.50 H new ATOM 0 HA ILE A 112 3.569 23.165 -0.657 1.00 0.50 H new ATOM 0 HB ILE A 112 2.594 20.411 -1.579 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.085 21.110 0.023 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.532 20.921 0.812 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.809 20.122 -2.651 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.904 21.457 -3.404 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.220 21.808 -2.258 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.779 18.776 0.807 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.297 18.637 -0.167 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.874 18.829 -0.969 1.00 0.66 H new ATOM 364 N ASP A 113 3.152 24.151 -2.870 1.00 0.47 N ATOM 365 CA ASP A 113 2.819 24.814 -4.163 1.00 0.50 C ATOM 366 C ASP A 113 3.812 24.384 -5.246 1.00 0.50 C ATOM 367 O ASP A 113 4.705 23.595 -5.005 1.00 0.57 O ATOM 368 CB ASP A 113 2.942 26.312 -3.883 1.00 0.60 C ATOM 369 CG ASP A 113 1.768 26.765 -3.012 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.726 27.069 -3.569 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.931 26.798 -1.804 1.00 1.77 O ATOM 0 H ASP A 113 3.945 24.551 -2.369 1.00 0.47 H new ATOM 0 HA ASP A 113 1.824 24.549 -4.521 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.885 26.523 -3.379 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.950 26.869 -4.820 1.00 0.60 H new ATOM 376 N LEU A 114 3.664 24.893 -6.438 1.00 0.52 N ATOM 377 CA LEU A 114 4.599 24.510 -7.536 1.00 0.57 C ATOM 378 C LEU A 114 6.018 24.995 -7.223 1.00 0.63 C ATOM 379 O LEU A 114 6.983 24.281 -7.409 1.00 0.80 O ATOM 380 CB LEU A 114 4.056 25.215 -8.780 1.00 0.62 C ATOM 381 CG LEU A 114 3.379 24.191 -9.691 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.759 24.907 -10.892 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.418 23.181 -10.182 1.00 0.81 C ATOM 0 H LEU A 114 2.936 25.558 -6.700 1.00 0.52 H new ATOM 0 HA LEU A 114 4.657 23.430 -7.669 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.344 25.988 -8.491 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.867 25.712 -9.313 1.00 0.62 H new ATOM 0 HG LEU A 114 2.599 23.671 -9.135 1.00 0.61 H new ATOM 0 HD11 LEU A 114 2.276 24.177 -11.542 1.00 0.91 H new ATOM 0 HD12 LEU A 114 2.019 25.628 -10.544 1.00 0.91 H new ATOM 0 HD13 LEU A 114 3.539 25.427 -11.448 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.936 22.450 -10.832 1.00 0.81 H new ATOM 0 HD22 LEU A 114 5.198 23.702 -10.737 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.861 22.670 -9.327 1.00 0.81 H new ATOM 395 N ASP A 115 6.151 26.206 -6.755 1.00 0.61 N ATOM 396 CA ASP A 115 7.507 26.740 -6.435 1.00 0.71 C ATOM 397 C ASP A 115 8.221 25.828 -5.432 1.00 0.65 C ATOM 398 O ASP A 115 9.403 25.572 -5.544 1.00 0.89 O ATOM 399 CB ASP A 115 7.254 28.115 -5.814 1.00 0.80 C ATOM 400 CG ASP A 115 6.629 29.041 -6.858 1.00 1.17 C ATOM 401 OD1 ASP A 115 5.461 28.858 -7.161 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.328 29.919 -7.337 1.00 1.76 O ATOM 0 H ASP A 115 5.379 26.850 -6.580 1.00 0.61 H new ATOM 0 HA ASP A 115 8.142 26.797 -7.319 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.592 28.021 -4.954 1.00 0.80 H new ATOM 0 HB3 ASP A 115 8.190 28.539 -5.451 1.00 0.80 H new ATOM 407 N GLU A 116 7.513 25.342 -4.449 1.00 0.51 N ATOM 408 CA GLU A 116 8.154 24.454 -3.435 1.00 0.48 C ATOM 409 C GLU A 116 8.299 23.028 -3.979 1.00 0.49 C ATOM 410 O GLU A 116 8.983 22.204 -3.405 1.00 0.63 O ATOM 411 CB GLU A 116 7.205 24.477 -2.235 1.00 0.48 C ATOM 412 CG GLU A 116 6.922 25.927 -1.833 1.00 0.57 C ATOM 413 CD GLU A 116 5.830 25.956 -0.762 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.993 25.069 -0.773 1.00 1.19 O ATOM 415 OE2 GLU A 116 5.849 26.865 0.052 1.00 1.36 O ATOM 0 H GLU A 116 6.519 25.521 -4.303 1.00 0.51 H new ATOM 0 HA GLU A 116 9.157 24.790 -3.173 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.273 23.970 -2.485 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.647 23.936 -1.398 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.831 26.394 -1.454 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.607 26.502 -2.704 1.00 0.57 H new ATOM 422 N LEU A 117 7.663 22.730 -5.079 1.00 0.48 N ATOM 423 CA LEU A 117 7.769 21.355 -5.651 1.00 0.52 C ATOM 424 C LEU A 117 9.104 21.184 -6.386 1.00 0.58 C ATOM 425 O LEU A 117 9.745 20.155 -6.296 1.00 0.69 O ATOM 426 CB LEU A 117 6.604 21.241 -6.636 1.00 0.55 C ATOM 427 CG LEU A 117 5.340 20.799 -5.896 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.149 20.843 -6.856 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.523 19.369 -5.377 1.00 0.53 C ATOM 0 H LEU A 117 7.076 23.376 -5.606 1.00 0.48 H new ATOM 0 HA LEU A 117 7.729 20.587 -4.878 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.434 22.200 -7.124 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.847 20.523 -7.420 1.00 0.55 H new ATOM 0 HG LEU A 117 5.158 21.469 -5.056 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.247 20.528 -6.331 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.018 21.860 -7.226 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.333 20.172 -7.695 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.622 19.055 -4.850 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.705 18.698 -6.216 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.373 19.335 -4.695 1.00 0.53 H new ATOM 441 N LYS A 118 9.522 22.180 -7.119 1.00 0.59 N ATOM 442 CA LYS A 118 10.810 22.072 -7.867 1.00 0.69 C ATOM 443 C LYS A 118 11.996 22.377 -6.948 1.00 0.64 C ATOM 444 O LYS A 118 13.137 22.152 -7.301 1.00 0.73 O ATOM 445 CB LYS A 118 10.711 23.121 -8.976 1.00 0.83 C ATOM 446 CG LYS A 118 10.409 24.488 -8.359 1.00 0.99 C ATOM 447 CD LYS A 118 11.565 25.448 -8.649 1.00 1.35 C ATOM 448 CE LYS A 118 11.007 26.833 -8.984 1.00 1.51 C ATOM 449 NZ LYS A 118 12.204 27.666 -9.288 1.00 1.99 N ATOM 0 H LYS A 118 9.028 23.065 -7.233 1.00 0.59 H new ATOM 0 HA LYS A 118 10.970 21.068 -8.261 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.644 23.162 -9.537 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.927 22.847 -9.681 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.481 24.886 -8.769 1.00 0.99 H new ATOM 0 HG3 LYS A 118 10.266 24.389 -7.283 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.226 25.510 -7.784 1.00 1.35 H new ATOM 0 HD3 LYS A 118 12.162 25.074 -9.481 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.329 26.790 -9.836 1.00 1.51 H new ATOM 0 HE3 LYS A 118 10.442 27.244 -8.147 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.903 28.632 -9.528 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.828 27.694 -8.456 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 12.718 27.254 -10.093 1.00 1.99 H new ATOM 463 N ILE A 119 11.742 22.889 -5.776 1.00 0.68 N ATOM 464 CA ILE A 119 12.865 23.206 -4.847 1.00 0.74 C ATOM 465 C ILE A 119 13.144 22.016 -3.925 1.00 0.75 C ATOM 466 O ILE A 119 14.239 21.488 -3.892 1.00 0.85 O ATOM 467 CB ILE A 119 12.386 24.412 -4.038 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.398 25.659 -4.927 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.319 24.629 -2.845 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.030 26.886 -4.092 1.00 1.06 C ATOM 0 H ILE A 119 10.810 23.101 -5.421 1.00 0.68 H new ATOM 0 HA ILE A 119 13.792 23.417 -5.380 1.00 0.74 H new ATOM 0 HB ILE A 119 11.373 24.230 -3.679 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.384 25.792 -5.372 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.691 25.540 -5.748 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.978 25.489 -2.268 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.313 23.742 -2.212 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.332 24.812 -3.204 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.039 27.773 -4.725 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.035 26.753 -3.668 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.754 27.008 -3.286 1.00 1.06 H new ATOM 482 N MET A 120 12.164 21.588 -3.177 1.00 0.85 N ATOM 483 CA MET A 120 12.377 20.431 -2.260 1.00 1.01 C ATOM 484 C MET A 120 13.076 19.289 -3.002 1.00 0.95 C ATOM 485 O MET A 120 13.861 18.555 -2.435 1.00 1.11 O ATOM 486 CB MET A 120 10.973 20.007 -1.825 1.00 1.17 C ATOM 487 CG MET A 120 11.072 19.050 -0.636 1.00 1.52 C ATOM 488 SD MET A 120 11.317 17.361 -1.239 1.00 1.88 S ATOM 489 CE MET A 120 9.628 17.080 -1.825 1.00 1.43 C ATOM 0 H MET A 120 11.226 21.988 -3.161 1.00 0.85 H new ATOM 0 HA MET A 120 13.007 20.689 -1.409 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.386 20.884 -1.551 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.456 19.522 -2.653 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.900 19.340 0.010 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.164 19.105 -0.035 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.417 16.011 -1.827 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.925 17.588 -1.165 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.524 17.472 -2.837 1.00 1.43 H new ATOM 499 N LEU A 121 12.794 19.133 -4.267 1.00 0.87 N ATOM 500 CA LEU A 121 13.440 18.037 -5.045 1.00 0.95 C ATOM 501 C LEU A 121 14.863 18.436 -5.448 1.00 0.87 C ATOM 502 O LEU A 121 15.645 17.617 -5.888 1.00 0.97 O ATOM 503 CB LEU A 121 12.563 17.865 -6.286 1.00 1.09 C ATOM 504 CG LEU A 121 11.152 17.458 -5.862 1.00 1.41 C ATOM 505 CD1 LEU A 121 10.260 17.340 -7.100 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.206 16.108 -5.143 1.00 1.80 C ATOM 0 H LEU A 121 12.145 19.716 -4.795 1.00 0.87 H new ATOM 0 HA LEU A 121 13.521 17.116 -4.468 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.530 18.796 -6.852 1.00 1.09 H new ATOM 0 HB3 LEU A 121 12.989 17.107 -6.943 1.00 1.09 H new ATOM 0 HG LEU A 121 10.743 18.213 -5.190 1.00 1.41 H new ATOM 0 HD11 LEU A 121 9.254 17.050 -6.797 1.00 2.03 H new ATOM 0 HD12 LEU A 121 10.221 18.301 -7.614 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.668 16.585 -7.772 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.200 15.817 -4.840 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.615 15.354 -5.815 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.841 16.191 -4.261 1.00 1.80 H new ATOM 518 N GLN A 122 15.205 19.686 -5.303 1.00 0.82 N ATOM 519 CA GLN A 122 16.577 20.132 -5.682 1.00 0.95 C ATOM 520 C GLN A 122 17.626 19.356 -4.881 1.00 1.04 C ATOM 521 O GLN A 122 18.784 19.303 -5.245 1.00 1.19 O ATOM 522 CB GLN A 122 16.623 21.619 -5.327 1.00 1.14 C ATOM 523 CG GLN A 122 17.722 22.304 -6.142 1.00 1.42 C ATOM 524 CD GLN A 122 19.004 22.375 -5.311 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.939 22.763 -4.067 1.00 2.44 O flip ATOM 526 NE2 GLN A 122 20.075 22.074 -5.798 1.00 2.28 N flip ATOM 0 H GLN A 122 14.595 20.418 -4.939 1.00 0.82 H new ATOM 0 HA GLN A 122 16.791 19.958 -6.737 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.659 22.083 -5.534 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.814 21.744 -4.261 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.904 21.752 -7.064 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.406 23.307 -6.428 1.00 1.42 H new ATOM 0 HE21 GLN A 122 20.126 21.771 -6.771 1.00 2.28 H new ATOM 0 HE22 GLN A 122 20.924 22.124 -5.234 1.00 2.28 H new ATOM 535 N ALA A 123 17.232 18.756 -3.792 1.00 1.09 N ATOM 536 CA ALA A 123 18.209 17.986 -2.970 1.00 1.33 C ATOM 537 C ALA A 123 18.943 16.960 -3.838 1.00 1.38 C ATOM 538 O ALA A 123 20.120 16.713 -3.662 1.00 1.62 O ATOM 539 CB ALA A 123 17.365 17.282 -1.907 1.00 1.45 C ATOM 0 H ALA A 123 16.276 18.765 -3.435 1.00 1.09 H new ATOM 0 HA ALA A 123 18.970 18.628 -2.528 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.014 16.692 -1.259 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.836 18.026 -1.311 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.643 16.626 -2.392 1.00 1.45 H new ATOM 545 N THR A 124 18.259 16.359 -4.774 1.00 1.29 N ATOM 546 CA THR A 124 18.924 15.349 -5.648 1.00 1.47 C ATOM 547 C THR A 124 19.548 16.031 -6.869 1.00 1.44 C ATOM 548 O THR A 124 20.232 15.409 -7.657 1.00 1.72 O ATOM 549 CB THR A 124 17.807 14.393 -6.074 1.00 1.56 C ATOM 550 OG1 THR A 124 18.381 13.212 -6.617 1.00 2.16 O ATOM 551 CG2 THR A 124 16.925 15.064 -7.129 1.00 1.92 C ATOM 0 H THR A 124 17.272 16.523 -4.971 1.00 1.29 H new ATOM 0 HA THR A 124 19.730 14.826 -5.134 1.00 1.47 H new ATOM 0 HB THR A 124 17.198 14.139 -5.207 1.00 1.56 H new ATOM 0 HG1 THR A 124 19.215 13.437 -7.079 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.132 14.379 -7.429 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.484 15.970 -6.712 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.530 15.322 -7.999 1.00 1.92 H new ATOM 559 N GLY A 125 19.318 17.305 -7.032 1.00 1.26 N ATOM 560 CA GLY A 125 19.900 18.023 -8.201 1.00 1.32 C ATOM 561 C GLY A 125 18.888 18.039 -9.347 1.00 1.26 C ATOM 562 O GLY A 125 19.250 18.047 -10.507 1.00 1.63 O ATOM 0 H GLY A 125 18.753 17.879 -6.407 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.163 19.043 -7.920 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.820 17.533 -8.521 1.00 1.32 H new ATOM 566 N GLU A 126 17.622 18.045 -9.032 1.00 1.02 N ATOM 567 CA GLU A 126 16.588 18.060 -10.106 1.00 1.08 C ATOM 568 C GLU A 126 16.869 19.196 -11.094 1.00 0.89 C ATOM 569 O GLU A 126 16.423 20.312 -10.915 1.00 0.87 O ATOM 570 CB GLU A 126 15.263 18.292 -9.378 1.00 1.34 C ATOM 571 CG GLU A 126 15.279 19.667 -8.707 1.00 1.45 C ATOM 572 CD GLU A 126 14.220 20.562 -9.353 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.286 20.025 -9.924 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.362 21.771 -9.266 1.00 2.16 O ATOM 0 H GLU A 126 17.259 18.040 -8.079 1.00 1.02 H new ATOM 0 HA GLU A 126 16.577 17.135 -10.683 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.434 18.230 -10.083 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.106 17.514 -8.631 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.082 19.565 -7.640 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.265 20.121 -8.808 1.00 1.45 H new ATOM 581 N THR A 127 17.600 18.920 -12.139 1.00 1.09 N ATOM 582 CA THR A 127 17.901 19.985 -13.137 1.00 1.21 C ATOM 583 C THR A 127 17.170 19.686 -14.445 1.00 1.29 C ATOM 584 O THR A 127 17.655 18.959 -15.289 1.00 1.60 O ATOM 585 CB THR A 127 19.415 19.923 -13.342 1.00 1.57 C ATOM 586 OG1 THR A 127 19.776 18.627 -13.798 1.00 1.91 O ATOM 587 CG2 THR A 127 20.126 20.218 -12.020 1.00 2.18 C ATOM 0 H THR A 127 18.001 18.005 -12.345 1.00 1.09 H new ATOM 0 HA THR A 127 17.580 20.972 -12.804 1.00 1.21 H new ATOM 0 HB THR A 127 19.712 20.666 -14.083 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.183 18.361 -14.531 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.205 20.173 -12.169 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.849 21.213 -11.672 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.832 19.478 -11.276 1.00 2.18 H new ATOM 595 N ILE A 128 16.003 20.240 -14.617 1.00 1.08 N ATOM 596 CA ILE A 128 15.236 19.986 -15.868 1.00 1.20 C ATOM 597 C ILE A 128 14.609 21.287 -16.378 1.00 1.18 C ATOM 598 O ILE A 128 14.495 22.257 -15.655 1.00 1.15 O ATOM 599 CB ILE A 128 14.162 18.972 -15.470 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.357 19.507 -14.283 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.830 17.654 -15.074 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.313 20.507 -14.782 1.00 2.03 C ATOM 0 H ILE A 128 15.547 20.858 -13.946 1.00 1.08 H new ATOM 0 HA ILE A 128 15.864 19.610 -16.676 1.00 1.20 H new ATOM 0 HB ILE A 128 13.493 18.807 -16.315 1.00 1.12 H new ATOM 0 HG12 ILE A 128 12.868 18.684 -13.762 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.023 19.988 -13.566 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.066 16.930 -14.790 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.401 17.267 -15.918 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.500 17.824 -14.231 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.740 20.887 -13.936 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.813 21.335 -15.284 1.00 2.03 H new ATOM 0 HD13 ILE A 128 11.640 20.012 -15.482 1.00 2.03 H new ATOM 614 N THR A 129 14.202 21.318 -17.618 1.00 1.34 N ATOM 615 CA THR A 129 13.586 22.559 -18.171 1.00 1.42 C ATOM 616 C THR A 129 12.370 22.966 -17.333 1.00 1.16 C ATOM 617 O THR A 129 11.568 22.141 -16.944 1.00 0.97 O ATOM 618 CB THR A 129 13.161 22.189 -19.592 1.00 1.64 C ATOM 619 OG1 THR A 129 14.308 21.822 -20.346 1.00 2.23 O ATOM 620 CG2 THR A 129 12.475 23.386 -20.253 1.00 2.28 C ATOM 0 H THR A 129 14.269 20.538 -18.272 1.00 1.34 H new ATOM 0 HA THR A 129 14.275 23.404 -18.159 1.00 1.42 H new ATOM 0 HB THR A 129 12.465 21.351 -19.556 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.038 21.583 -21.257 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.173 23.119 -21.266 1.00 2.28 H new ATOM 0 HG22 THR A 129 11.595 23.666 -19.674 1.00 2.28 H new ATOM 0 HG23 THR A 129 13.167 24.227 -20.291 1.00 2.28 H new ATOM 628 N GLU A 130 12.227 24.233 -17.054 1.00 1.31 N ATOM 629 CA GLU A 130 11.064 24.691 -16.242 1.00 1.28 C ATOM 630 C GLU A 130 9.772 24.053 -16.758 1.00 1.16 C ATOM 631 O GLU A 130 8.923 23.640 -15.993 1.00 1.21 O ATOM 632 CB GLU A 130 11.026 26.208 -16.429 1.00 1.69 C ATOM 633 CG GLU A 130 9.781 26.777 -15.746 1.00 2.05 C ATOM 634 CD GLU A 130 9.959 28.280 -15.529 1.00 2.43 C ATOM 635 OE1 GLU A 130 10.620 28.646 -14.571 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.433 29.041 -16.325 1.00 3.03 O ATOM 0 H GLU A 130 12.865 24.970 -17.353 1.00 1.31 H new ATOM 0 HA GLU A 130 11.157 24.411 -15.193 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.924 26.659 -16.006 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.015 26.454 -17.491 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.899 26.589 -16.359 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.617 26.278 -14.791 1.00 2.05 H new ATOM 643 N ASP A 131 9.616 23.969 -18.051 1.00 1.18 N ATOM 644 CA ASP A 131 8.379 23.358 -18.616 1.00 1.19 C ATOM 645 C ASP A 131 8.187 21.942 -18.064 1.00 1.07 C ATOM 646 O ASP A 131 7.105 21.392 -18.103 1.00 1.14 O ATOM 647 CB ASP A 131 8.611 23.316 -20.127 1.00 1.44 C ATOM 648 CG ASP A 131 7.306 23.646 -20.854 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.391 22.842 -20.783 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.244 24.697 -21.471 1.00 2.07 O ATOM 0 H ASP A 131 10.292 24.297 -18.741 1.00 1.18 H new ATOM 0 HA ASP A 131 7.485 23.924 -18.356 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.386 24.030 -20.406 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.965 22.329 -20.424 1.00 1.44 H new ATOM 655 N ASP A 132 9.231 21.347 -17.555 1.00 1.00 N ATOM 656 CA ASP A 132 9.108 19.966 -17.006 1.00 1.03 C ATOM 657 C ASP A 132 8.633 20.011 -15.551 1.00 0.88 C ATOM 658 O ASP A 132 8.163 19.029 -15.012 1.00 1.03 O ATOM 659 CB ASP A 132 10.518 19.381 -17.090 1.00 1.13 C ATOM 660 CG ASP A 132 10.487 18.091 -17.911 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.089 17.075 -17.366 1.00 1.79 O ATOM 662 OD2 ASP A 132 10.863 18.141 -19.071 1.00 1.99 O ATOM 0 H ASP A 132 10.163 21.757 -17.495 1.00 1.00 H new ATOM 0 HA ASP A 132 8.382 19.367 -17.557 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.195 20.101 -17.550 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.899 19.179 -16.089 1.00 1.13 H new ATOM 667 N ILE A 133 8.752 21.142 -14.912 1.00 0.75 N ATOM 668 CA ILE A 133 8.307 21.245 -13.492 1.00 0.77 C ATOM 669 C ILE A 133 6.859 20.771 -13.355 1.00 0.70 C ATOM 670 O ILE A 133 6.498 20.115 -12.398 1.00 0.82 O ATOM 671 CB ILE A 133 8.418 22.730 -13.148 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.875 23.180 -13.289 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.954 22.955 -11.708 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.779 22.255 -12.472 1.00 1.00 C ATOM 0 H ILE A 133 9.137 21.998 -15.310 1.00 0.75 H new ATOM 0 HA ILE A 133 8.908 20.626 -12.826 1.00 0.77 H new ATOM 0 HB ILE A 133 7.792 23.308 -13.828 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.172 23.162 -14.338 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.984 24.208 -12.945 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.033 24.014 -11.462 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.917 22.635 -11.606 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.581 22.377 -11.029 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.816 22.577 -12.573 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.488 22.295 -11.422 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.679 21.233 -12.837 1.00 1.00 H new ATOM 686 N GLU A 134 6.025 21.099 -14.304 1.00 0.61 N ATOM 687 CA GLU A 134 4.601 20.667 -14.227 1.00 0.64 C ATOM 688 C GLU A 134 4.507 19.139 -14.266 1.00 0.64 C ATOM 689 O GLU A 134 3.492 18.561 -13.934 1.00 0.76 O ATOM 690 CB GLU A 134 3.934 21.277 -15.460 1.00 0.73 C ATOM 691 CG GLU A 134 3.790 22.789 -15.268 1.00 0.89 C ATOM 692 CD GLU A 134 4.512 23.526 -16.399 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.947 22.868 -17.330 1.00 1.86 O ATOM 694 OE2 GLU A 134 4.617 24.738 -16.316 1.00 1.87 O ATOM 0 H GLU A 134 6.268 21.647 -15.129 1.00 0.61 H new ATOM 0 HA GLU A 134 4.122 20.990 -13.303 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.529 21.068 -16.349 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.955 20.825 -15.618 1.00 0.73 H new ATOM 0 HG2 GLU A 134 2.735 23.065 -15.257 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.207 23.084 -14.305 1.00 0.89 H new ATOM 701 N GLU A 135 5.559 18.482 -14.672 1.00 0.59 N ATOM 702 CA GLU A 135 5.527 16.992 -14.732 1.00 0.67 C ATOM 703 C GLU A 135 5.292 16.409 -13.336 1.00 0.74 C ATOM 704 O GLU A 135 4.763 15.326 -13.188 1.00 0.91 O ATOM 705 CB GLU A 135 6.905 16.587 -15.258 1.00 0.72 C ATOM 706 CG GLU A 135 6.865 15.130 -15.723 1.00 1.16 C ATOM 707 CD GLU A 135 7.123 15.066 -17.229 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.257 15.489 -17.978 1.00 2.03 O ATOM 709 OE2 GLU A 135 8.182 14.595 -17.609 1.00 2.29 O ATOM 0 H GLU A 135 6.437 18.911 -14.964 1.00 0.59 H new ATOM 0 HA GLU A 135 4.723 16.622 -15.368 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.196 17.236 -16.084 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.655 16.710 -14.477 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.616 14.547 -15.190 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.895 14.690 -15.491 1.00 1.16 H new ATOM 716 N LEU A 136 5.681 17.119 -12.311 1.00 0.73 N ATOM 717 CA LEU A 136 5.479 16.602 -10.926 1.00 0.87 C ATOM 718 C LEU A 136 4.154 17.116 -10.353 1.00 0.81 C ATOM 719 O LEU A 136 3.526 16.468 -9.540 1.00 1.00 O ATOM 720 CB LEU A 136 6.656 17.154 -10.120 1.00 0.99 C ATOM 721 CG LEU A 136 7.963 16.550 -10.639 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.067 17.608 -10.591 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.359 15.362 -9.759 1.00 1.75 C ATOM 0 H LEU A 136 6.129 18.033 -12.372 1.00 0.73 H new ATOM 0 HA LEU A 136 5.437 15.513 -10.897 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.688 18.240 -10.202 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.529 16.918 -9.064 1.00 0.99 H new ATOM 0 HG LEU A 136 7.826 16.213 -11.666 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.998 17.179 -10.960 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.786 18.456 -11.215 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.205 17.944 -9.563 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.290 14.931 -10.127 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.497 15.700 -8.732 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.572 14.608 -9.790 1.00 1.75 H new ATOM 735 N MET A 137 3.730 18.278 -10.766 1.00 0.67 N ATOM 736 CA MET A 137 2.449 18.836 -10.240 1.00 0.71 C ATOM 737 C MET A 137 1.296 17.857 -10.483 1.00 0.68 C ATOM 738 O MET A 137 0.567 17.506 -9.576 1.00 0.70 O ATOM 739 CB MET A 137 2.228 20.127 -11.030 1.00 0.82 C ATOM 740 CG MET A 137 2.162 21.313 -10.066 1.00 0.99 C ATOM 741 SD MET A 137 0.545 21.342 -9.252 1.00 0.94 S ATOM 742 CE MET A 137 1.149 21.385 -7.547 1.00 0.53 C ATOM 0 H MET A 137 4.214 18.866 -11.445 1.00 0.67 H new ATOM 0 HA MET A 137 2.490 19.013 -9.165 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.038 20.271 -11.745 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.304 20.060 -11.604 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.954 21.234 -9.321 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.325 22.245 -10.608 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.310 21.532 -6.867 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.645 20.443 -7.313 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.857 22.206 -7.432 1.00 0.53 H new ATOM 752 N LYS A 138 1.121 17.421 -11.700 1.00 0.76 N ATOM 753 CA LYS A 138 0.010 16.472 -12.002 1.00 0.82 C ATOM 754 C LYS A 138 0.067 15.259 -11.069 1.00 0.72 C ATOM 755 O LYS A 138 -0.928 14.606 -10.824 1.00 0.84 O ATOM 756 CB LYS A 138 0.241 16.043 -13.451 1.00 0.99 C ATOM 757 CG LYS A 138 1.628 15.409 -13.581 1.00 1.57 C ATOM 758 CD LYS A 138 1.911 15.097 -15.052 1.00 2.09 C ATOM 759 CE LYS A 138 1.742 13.596 -15.299 1.00 2.74 C ATOM 760 NZ LYS A 138 3.052 12.993 -14.922 1.00 3.43 N ATOM 0 H LYS A 138 1.699 17.680 -12.499 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.969 16.930 -11.859 1.00 0.82 H new ATOM 0 HB2 LYS A 138 -0.526 15.332 -13.757 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.160 16.904 -14.114 1.00 0.99 H new ATOM 0 HG2 LYS A 138 2.387 16.086 -13.189 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.679 14.496 -12.988 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.231 15.660 -15.691 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.923 15.407 -15.312 1.00 2.09 H new ATOM 0 HE2 LYS A 138 0.931 13.186 -14.697 1.00 2.74 H new ATOM 0 HE3 LYS A 138 1.499 13.393 -16.342 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 3.014 11.963 -15.064 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 3.804 13.397 -15.516 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.253 13.197 -13.922 1.00 3.43 H new ATOM 774 N ASP A 139 1.223 14.946 -10.552 1.00 0.75 N ATOM 775 CA ASP A 139 1.336 13.770 -9.642 1.00 0.78 C ATOM 776 C ASP A 139 0.745 14.099 -8.267 1.00 0.70 C ATOM 777 O ASP A 139 0.338 13.221 -7.532 1.00 0.81 O ATOM 778 CB ASP A 139 2.836 13.499 -9.531 1.00 0.97 C ATOM 779 CG ASP A 139 3.109 12.021 -9.819 1.00 1.16 C ATOM 780 OD1 ASP A 139 2.263 11.208 -9.486 1.00 1.69 O ATOM 781 OD2 ASP A 139 4.158 11.729 -10.368 1.00 1.66 O ATOM 0 H ASP A 139 2.093 15.452 -10.719 1.00 0.75 H new ATOM 0 HA ASP A 139 0.791 12.904 -10.019 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.383 14.125 -10.236 1.00 0.97 H new ATOM 0 HB3 ASP A 139 3.191 13.758 -8.533 1.00 0.97 H new ATOM 786 N GLY A 140 0.696 15.354 -7.913 1.00 0.64 N ATOM 787 CA GLY A 140 0.131 15.732 -6.586 1.00 0.62 C ATOM 788 C GLY A 140 -0.933 16.815 -6.771 1.00 0.57 C ATOM 789 O GLY A 140 -1.409 17.401 -5.818 1.00 0.65 O ATOM 0 H GLY A 140 1.022 16.133 -8.484 1.00 0.64 H new ATOM 0 HA2 GLY A 140 -0.306 14.858 -6.103 1.00 0.62 H new ATOM 0 HA3 GLY A 140 0.924 16.095 -5.932 1.00 0.62 H new ATOM 793 N ASP A 141 -1.309 17.086 -7.990 1.00 0.56 N ATOM 794 CA ASP A 141 -2.343 18.131 -8.237 1.00 0.56 C ATOM 795 C ASP A 141 -3.039 17.872 -9.575 1.00 0.58 C ATOM 796 O ASP A 141 -3.082 18.725 -10.440 1.00 0.64 O ATOM 797 CB ASP A 141 -1.571 19.450 -8.279 1.00 0.60 C ATOM 798 CG ASP A 141 -2.280 20.484 -7.403 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.199 21.119 -7.895 1.00 1.23 O ATOM 800 OD2 ASP A 141 -1.893 20.625 -6.255 1.00 1.14 O ATOM 0 H ASP A 141 -0.945 16.629 -8.826 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.118 18.139 -7.470 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.551 19.298 -7.927 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.504 19.812 -9.305 1.00 0.60 H new ATOM 805 N LYS A 142 -3.581 16.699 -9.753 1.00 0.62 N ATOM 806 CA LYS A 142 -4.270 16.384 -11.036 1.00 0.70 C ATOM 807 C LYS A 142 -5.302 17.466 -11.362 1.00 0.79 C ATOM 808 O LYS A 142 -5.528 17.795 -12.510 1.00 0.92 O ATOM 809 CB LYS A 142 -4.957 15.038 -10.797 1.00 0.79 C ATOM 810 CG LYS A 142 -4.351 13.984 -11.726 1.00 0.88 C ATOM 811 CD LYS A 142 -5.270 12.761 -11.785 1.00 1.37 C ATOM 812 CE LYS A 142 -4.426 11.494 -11.945 1.00 1.79 C ATOM 813 NZ LYS A 142 -4.903 10.868 -13.209 1.00 2.44 N ATOM 0 H LYS A 142 -3.577 15.945 -9.066 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.578 16.344 -11.878 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.835 14.735 -9.757 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.028 15.127 -10.980 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.217 14.399 -12.725 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.364 13.693 -11.367 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.869 12.699 -10.876 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.965 12.855 -12.619 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.364 11.732 -11.999 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.559 10.822 -11.097 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -4.370 9.993 -13.386 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -5.916 10.646 -13.126 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -4.757 11.528 -14.000 1.00 2.44 H new ATOM 827 N ASN A 143 -5.931 18.025 -10.363 1.00 0.80 N ATOM 828 CA ASN A 143 -6.945 19.086 -10.625 1.00 0.95 C ATOM 829 C ASN A 143 -6.264 20.459 -10.703 1.00 0.92 C ATOM 830 O ASN A 143 -6.849 21.430 -11.139 1.00 1.08 O ATOM 831 CB ASN A 143 -7.923 19.002 -9.442 1.00 1.07 C ATOM 832 CG ASN A 143 -7.467 19.915 -8.298 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.167 20.838 -7.930 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.319 19.697 -7.718 1.00 1.70 N ATOM 0 H ASN A 143 -5.787 17.794 -9.380 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.463 18.950 -11.574 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.922 19.290 -9.768 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.988 17.973 -9.089 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.010 20.301 -6.956 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -5.731 18.923 -8.026 1.00 1.70 H new ATOM 841 N ASN A 144 -5.030 20.541 -10.284 1.00 0.86 N ATOM 842 CA ASN A 144 -4.305 21.844 -10.334 1.00 0.93 C ATOM 843 C ASN A 144 -5.034 22.899 -9.497 1.00 1.03 C ATOM 844 O ASN A 144 -5.303 23.991 -9.957 1.00 1.71 O ATOM 845 CB ASN A 144 -4.300 22.242 -11.810 1.00 1.08 C ATOM 846 CG ASN A 144 -3.442 23.495 -11.993 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.926 24.602 -11.857 1.00 2.18 O ATOM 848 ND2 ASN A 144 -2.179 23.368 -12.295 1.00 1.97 N ATOM 0 H ASN A 144 -4.491 19.760 -9.908 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.296 21.764 -9.929 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.907 21.426 -12.417 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.318 22.431 -12.151 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -1.598 24.197 -12.417 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -1.773 22.439 -12.409 1.00 1.97 H new ATOM 855 N ASP A 145 -5.351 22.587 -8.271 1.00 0.88 N ATOM 856 CA ASP A 145 -6.056 23.580 -7.411 1.00 0.92 C ATOM 857 C ASP A 145 -5.086 24.681 -6.979 1.00 0.91 C ATOM 858 O ASP A 145 -5.486 25.723 -6.498 1.00 1.07 O ATOM 859 CB ASP A 145 -6.535 22.786 -6.196 1.00 0.93 C ATOM 860 CG ASP A 145 -5.351 22.042 -5.575 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.238 22.258 -6.025 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.577 21.269 -4.658 1.00 1.89 O ATOM 0 H ASP A 145 -5.153 21.690 -7.828 1.00 0.88 H new ATOM 0 HA ASP A 145 -6.882 24.065 -7.932 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.982 23.457 -5.463 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.308 22.078 -6.493 1.00 0.93 H new ATOM 867 N GLY A 146 -3.811 24.455 -7.141 1.00 0.84 N ATOM 868 CA GLY A 146 -2.813 25.483 -6.735 1.00 0.92 C ATOM 869 C GLY A 146 -2.081 25.012 -5.476 1.00 0.66 C ATOM 870 O GLY A 146 -1.176 25.663 -4.993 1.00 0.74 O ATOM 0 H GLY A 146 -3.418 23.602 -7.538 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.100 25.652 -7.542 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.311 26.434 -6.545 1.00 0.92 H new ATOM 874 N ARG A 147 -2.466 23.884 -4.941 1.00 0.56 N ATOM 875 CA ARG A 147 -1.792 23.371 -3.714 1.00 0.54 C ATOM 876 C ARG A 147 -1.902 21.845 -3.651 1.00 0.46 C ATOM 877 O ARG A 147 -2.920 21.272 -3.985 1.00 0.45 O ATOM 878 CB ARG A 147 -2.548 24.013 -2.551 1.00 0.77 C ATOM 879 CG ARG A 147 -4.030 23.643 -2.638 1.00 1.39 C ATOM 880 CD ARG A 147 -4.482 23.031 -1.310 1.00 1.79 C ATOM 881 NE ARG A 147 -5.877 23.518 -1.120 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.103 24.783 -0.885 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.108 25.625 -0.808 1.00 3.10 N ATOM 884 NH2 ARG A 147 -7.328 25.205 -0.725 1.00 3.37 N ATOM 0 H ARG A 147 -3.218 23.296 -5.301 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.730 23.614 -3.692 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.133 23.673 -1.602 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.431 25.096 -2.581 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.624 24.529 -2.864 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.192 22.935 -3.451 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.445 21.942 -1.343 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.838 23.347 -0.490 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.657 22.863 -1.173 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -4.151 25.296 -0.932 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -5.288 26.612 -0.624 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -8.106 24.548 -0.784 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -7.507 26.192 -0.541 1.00 3.37 H new ATOM 898 N ILE A 148 -0.862 21.183 -3.224 1.00 0.49 N ATOM 899 CA ILE A 148 -0.906 19.695 -3.139 1.00 0.44 C ATOM 900 C ILE A 148 -1.303 19.260 -1.725 1.00 0.46 C ATOM 901 O ILE A 148 -0.471 19.121 -0.851 1.00 0.63 O ATOM 902 CB ILE A 148 0.517 19.242 -3.466 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.928 19.810 -4.827 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.575 17.715 -3.516 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.316 19.287 -5.198 1.00 0.63 C ATOM 0 H ILE A 148 0.017 21.608 -2.930 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.638 19.259 -3.819 1.00 0.44 H new ATOM 0 HB ILE A 148 1.197 19.603 -2.695 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.203 19.521 -5.588 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.935 20.899 -4.791 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.591 17.397 -3.749 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.280 17.308 -2.549 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.105 17.350 -4.286 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.610 19.691 -6.167 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.036 19.598 -4.442 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.293 18.199 -5.250 1.00 0.63 H new ATOM 917 N ASP A 149 -2.570 19.050 -1.494 1.00 0.48 N ATOM 918 CA ASP A 149 -3.025 18.631 -0.136 1.00 0.53 C ATOM 919 C ASP A 149 -2.385 17.296 0.254 1.00 0.53 C ATOM 920 O ASP A 149 -1.591 16.738 -0.478 1.00 0.63 O ATOM 921 CB ASP A 149 -4.542 18.484 -0.256 1.00 0.58 C ATOM 922 CG ASP A 149 -5.169 18.503 1.139 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.450 18.773 2.087 1.00 1.84 O ATOM 924 OD2 ASP A 149 -6.358 18.248 1.236 1.00 1.65 O ATOM 0 H ASP A 149 -3.311 19.150 -2.187 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.743 19.351 0.632 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.950 19.294 -0.860 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.789 17.552 -0.764 1.00 0.58 H new ATOM 929 N TYR A 150 -2.723 16.782 1.405 1.00 0.58 N ATOM 930 CA TYR A 150 -2.134 15.484 1.848 1.00 0.60 C ATOM 931 C TYR A 150 -2.773 14.321 1.084 1.00 0.59 C ATOM 932 O TYR A 150 -2.097 13.425 0.621 1.00 0.63 O ATOM 933 CB TYR A 150 -2.461 15.391 3.341 1.00 0.73 C ATOM 934 CG TYR A 150 -2.077 14.026 3.868 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.145 13.240 3.177 1.00 1.22 C ATOM 936 CD2 TYR A 150 -2.653 13.547 5.052 1.00 1.15 C ATOM 937 CE1 TYR A 150 -0.793 11.978 3.667 1.00 1.56 C ATOM 938 CE2 TYR A 150 -2.299 12.284 5.542 1.00 1.43 C ATOM 939 CZ TYR A 150 -1.368 11.500 4.850 1.00 1.48 C ATOM 940 OH TYR A 150 -1.020 10.255 5.333 1.00 1.96 O ATOM 0 H TYR A 150 -3.382 17.204 2.059 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.061 15.432 1.660 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.925 16.166 3.889 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.525 15.566 3.501 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.698 13.609 2.266 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -3.370 14.152 5.587 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -0.077 11.372 3.132 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -2.744 11.914 6.454 1.00 1.43 H new ATOM 0 HH TYR A 150 -1.506 9.564 4.837 1.00 1.96 H new ATOM 950 N ASP A 151 -4.072 14.325 0.951 1.00 0.64 N ATOM 951 CA ASP A 151 -4.750 13.216 0.219 1.00 0.70 C ATOM 952 C ASP A 151 -4.258 13.152 -1.230 1.00 0.63 C ATOM 953 O ASP A 151 -4.026 12.088 -1.768 1.00 0.77 O ATOM 954 CB ASP A 151 -6.239 13.560 0.264 1.00 0.79 C ATOM 955 CG ASP A 151 -7.020 12.559 -0.590 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.839 11.369 -0.388 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.785 12.999 -1.432 1.00 1.90 O ATOM 0 H ASP A 151 -4.693 15.047 1.317 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.542 12.244 0.666 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.598 13.534 1.293 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.400 14.573 -0.105 1.00 0.79 H new ATOM 962 N GLU A 152 -4.097 14.280 -1.867 1.00 0.54 N ATOM 963 CA GLU A 152 -3.620 14.270 -3.280 1.00 0.56 C ATOM 964 C GLU A 152 -2.140 13.888 -3.333 1.00 0.52 C ATOM 965 O GLU A 152 -1.644 13.429 -4.342 1.00 0.65 O ATOM 966 CB GLU A 152 -3.831 15.699 -3.780 1.00 0.60 C ATOM 967 CG GLU A 152 -5.236 15.826 -4.372 1.00 0.77 C ATOM 968 CD GLU A 152 -5.271 16.988 -5.366 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.573 16.910 -6.364 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.996 17.936 -5.113 1.00 1.40 O ATOM 0 H GLU A 152 -4.274 15.204 -1.473 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.154 13.545 -3.894 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.704 16.406 -2.960 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.083 15.947 -4.533 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.516 14.899 -4.871 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.963 15.992 -3.577 1.00 0.77 H new ATOM 977 N PHE A 153 -1.431 14.068 -2.252 1.00 0.46 N ATOM 978 CA PHE A 153 0.015 13.706 -2.244 1.00 0.46 C ATOM 979 C PHE A 153 0.174 12.195 -2.432 1.00 0.50 C ATOM 980 O PHE A 153 1.216 11.715 -2.831 1.00 0.64 O ATOM 981 CB PHE A 153 0.526 14.133 -0.868 1.00 0.49 C ATOM 982 CG PHE A 153 1.950 13.662 -0.695 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.874 13.829 -1.734 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.347 13.058 0.504 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.194 13.392 -1.574 1.00 0.73 C ATOM 986 CE2 PHE A 153 3.667 12.621 0.664 1.00 0.61 C ATOM 987 CZ PHE A 153 4.591 12.788 -0.375 1.00 0.68 C ATOM 0 H PHE A 153 -1.789 14.449 -1.376 1.00 0.46 H new ATOM 0 HA PHE A 153 0.569 14.190 -3.048 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.475 15.217 -0.769 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.106 13.712 -0.086 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.568 14.295 -2.659 1.00 0.62 H new ATOM 0 HD2 PHE A 153 1.635 12.929 1.306 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.906 13.521 -2.376 1.00 0.73 H new ATOM 0 HE2 PHE A 153 3.973 12.155 1.589 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.610 12.451 -0.251 1.00 0.68 H new ATOM 997 N LEU A 154 -0.855 11.443 -2.149 1.00 0.53 N ATOM 998 CA LEU A 154 -0.766 9.963 -2.314 1.00 0.62 C ATOM 999 C LEU A 154 -0.598 9.609 -3.793 1.00 0.65 C ATOM 1000 O LEU A 154 0.127 8.700 -4.145 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.094 9.424 -1.780 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.862 8.735 -0.434 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.975 7.505 -0.634 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.172 9.709 0.524 1.00 1.20 C ATOM 0 H LEU A 154 -1.753 11.789 -1.811 1.00 0.53 H new ATOM 0 HA LEU A 154 0.087 9.537 -1.786 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.809 10.239 -1.665 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -2.525 8.720 -2.491 1.00 0.75 H new ATOM 0 HG LEU A 154 -2.820 8.427 -0.015 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -0.810 7.015 0.326 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.465 6.811 -1.317 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.017 7.812 -1.054 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.006 9.219 1.484 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.215 10.016 0.103 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.803 10.586 0.668 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.262 10.323 -4.661 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.138 10.031 -6.118 1.00 0.81 C ATOM 1018 C GLU A 155 0.243 10.458 -6.621 1.00 0.76 C ATOM 1019 O GLU A 155 0.641 10.138 -7.723 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.234 10.864 -6.783 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.040 10.848 -8.301 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.326 11.314 -8.985 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.360 10.718 -8.731 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -3.256 12.260 -9.753 1.00 2.57 O ATOM 0 H GLU A 155 -1.885 11.096 -4.425 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.244 8.969 -6.340 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.215 10.464 -6.527 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.201 11.889 -6.413 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -1.211 11.499 -8.579 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -1.782 9.843 -8.635 1.00 1.41 H new ATOM 1031 N PHE A 156 0.975 11.179 -5.817 1.00 0.66 N ATOM 1032 CA PHE A 156 2.331 11.629 -6.241 1.00 0.77 C ATOM 1033 C PHE A 156 3.271 10.427 -6.368 1.00 0.71 C ATOM 1034 O PHE A 156 3.910 10.231 -7.383 1.00 0.88 O ATOM 1035 CB PHE A 156 2.802 12.562 -5.125 1.00 0.84 C ATOM 1036 CG PHE A 156 3.834 13.520 -5.667 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.431 14.717 -6.272 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.196 13.212 -5.563 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.390 15.606 -6.773 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.154 14.101 -6.064 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.751 15.298 -6.669 1.00 1.53 C ATOM 0 H PHE A 156 0.692 11.476 -4.883 1.00 0.66 H new ATOM 0 HA PHE A 156 2.318 12.126 -7.211 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.955 13.115 -4.719 1.00 0.84 H new ATOM 0 HB3 PHE A 156 3.226 11.981 -4.306 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.380 14.955 -6.352 1.00 1.49 H new ATOM 0 HD2 PHE A 156 5.507 12.289 -5.096 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.079 16.529 -7.240 1.00 1.72 H new ATOM 0 HE2 PHE A 156 7.205 13.864 -5.984 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.491 15.983 -7.055 1.00 1.53 H new ATOM 1051 N MET A 157 3.358 9.621 -5.345 1.00 0.61 N ATOM 1052 CA MET A 157 4.256 8.432 -5.405 1.00 0.69 C ATOM 1053 C MET A 157 3.693 7.390 -6.374 1.00 0.83 C ATOM 1054 O MET A 157 4.334 7.008 -7.333 1.00 1.17 O ATOM 1055 CB MET A 157 4.276 7.880 -3.980 1.00 0.84 C ATOM 1056 CG MET A 157 4.599 9.009 -3.000 1.00 0.92 C ATOM 1057 SD MET A 157 5.915 8.473 -1.879 1.00 1.56 S ATOM 1058 CE MET A 157 7.108 9.767 -2.297 1.00 0.90 C ATOM 0 H MET A 157 2.846 9.734 -4.470 1.00 0.61 H new ATOM 0 HA MET A 157 5.255 8.687 -5.759 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.310 7.438 -3.736 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.020 7.087 -3.896 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.911 9.900 -3.545 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.709 9.278 -2.431 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.029 9.608 -1.736 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.323 9.733 -3.365 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.692 10.742 -2.042 1.00 0.90 H new ATOM 1068 N LYS A 158 2.498 6.926 -6.131 1.00 0.86 N ATOM 1069 CA LYS A 158 1.897 5.907 -7.038 1.00 1.07 C ATOM 1070 C LYS A 158 2.856 4.729 -7.218 1.00 1.36 C ATOM 1071 O LYS A 158 2.768 3.986 -8.175 1.00 1.73 O ATOM 1072 CB LYS A 158 1.686 6.634 -8.366 1.00 1.28 C ATOM 1073 CG LYS A 158 0.565 5.948 -9.148 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.535 6.965 -9.460 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.732 7.054 -10.974 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.016 8.491 -11.240 1.00 3.52 N ATOM 0 H LYS A 158 1.912 7.208 -5.345 1.00 0.86 H new ATOM 0 HA LYS A 158 0.966 5.501 -6.643 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.432 7.678 -8.185 1.00 1.28 H new ATOM 0 HB3 LYS A 158 2.608 6.626 -8.948 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.958 5.526 -10.073 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.156 5.120 -8.568 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.467 6.668 -8.978 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.266 7.942 -9.059 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.158 6.722 -11.508 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.556 6.421 -11.303 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.163 8.633 -12.260 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.872 8.777 -10.724 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.211 9.068 -10.923 1.00 3.52 H new ATOM 1090 N GLY A 159 3.772 4.553 -6.306 1.00 1.73 N ATOM 1091 CA GLY A 159 4.736 3.423 -6.427 1.00 2.35 C ATOM 1092 C GLY A 159 6.042 3.929 -7.042 1.00 2.13 C ATOM 1093 O GLY A 159 6.395 3.576 -8.151 1.00 2.59 O ATOM 0 H GLY A 159 3.895 5.142 -5.483 1.00 1.73 H new ATOM 0 HA2 GLY A 159 4.928 2.989 -5.446 1.00 2.35 H new ATOM 0 HA3 GLY A 159 4.311 2.634 -7.047 1.00 2.35 H new ATOM 1097 N VAL A 160 6.764 4.753 -6.332 1.00 1.87 N ATOM 1098 CA VAL A 160 8.048 5.280 -6.878 1.00 1.87 C ATOM 1099 C VAL A 160 8.939 4.125 -7.344 1.00 2.39 C ATOM 1100 O VAL A 160 8.923 3.742 -8.497 1.00 3.11 O ATOM 1101 CB VAL A 160 8.699 6.024 -5.712 1.00 1.68 C ATOM 1102 CG1 VAL A 160 10.136 6.395 -6.080 1.00 1.89 C ATOM 1103 CG2 VAL A 160 7.906 7.299 -5.415 1.00 1.76 C ATOM 0 H VAL A 160 6.521 5.084 -5.398 1.00 1.87 H new ATOM 0 HA VAL A 160 7.895 5.929 -7.740 1.00 1.87 H new ATOM 0 HB VAL A 160 8.704 5.383 -4.831 1.00 1.68 H new ATOM 0 HG11 VAL A 160 10.599 6.925 -5.248 1.00 1.89 H new ATOM 0 HG12 VAL A 160 10.703 5.489 -6.293 1.00 1.89 H new ATOM 0 HG13 VAL A 160 10.132 7.036 -6.962 1.00 1.89 H new ATOM 0 HG21 VAL A 160 8.369 7.830 -4.584 1.00 1.76 H new ATOM 0 HG22 VAL A 160 7.902 7.939 -6.297 1.00 1.76 H new ATOM 0 HG23 VAL A 160 6.881 7.037 -5.152 1.00 1.76 H new ATOM 1113 N GLU A 161 9.715 3.566 -6.455 1.00 2.52 N ATOM 1114 CA GLU A 161 10.605 2.436 -6.848 1.00 3.28 C ATOM 1115 C GLU A 161 9.995 1.104 -6.404 1.00 3.90 C ATOM 1116 O GLU A 161 9.006 1.137 -5.690 1.00 4.34 O ATOM 1117 CB GLU A 161 11.921 2.695 -6.114 1.00 3.49 C ATOM 1118 CG GLU A 161 11.732 2.437 -4.618 1.00 4.11 C ATOM 1119 CD GLU A 161 13.085 2.521 -3.910 1.00 4.29 C ATOM 1120 OE1 GLU A 161 13.570 3.626 -3.730 1.00 4.56 O ATOM 1121 OE2 GLU A 161 13.614 1.479 -3.560 1.00 4.60 O ATOM 1122 OXT GLU A 161 10.528 0.074 -6.785 1.00 4.37 O ATOM 0 H GLU A 161 9.771 3.843 -5.475 1.00 2.52 H new ATOM 0 HA GLU A 161 10.746 2.376 -7.927 1.00 3.28 H new ATOM 0 HB2 GLU A 161 12.703 2.047 -6.509 1.00 3.49 H new ATOM 0 HB3 GLU A 161 12.245 3.723 -6.278 1.00 3.49 H new ATOM 0 HG2 GLU A 161 11.043 3.169 -4.196 1.00 4.11 H new ATOM 0 HG3 GLU A 161 11.288 1.454 -4.461 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 4.185 25.307 1.689 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.207 19.521 -5.747 1.00 0.75 CA HETATM 1132 O1 KDH A 1 7.203 10.861 -9.952 1.00 2.83 O HETATM 1133 C3 KDH A 1 8.206 10.354 -9.182 1.00 2.40 C HETATM 1134 C6 KDH A 1 9.108 9.391 -9.754 1.00 3.09 C HETATM 1135 O7 KDH A 1 8.918 8.969 -11.042 1.00 4.04 O HETATM 1136 C9 KDH A 1 10.214 8.861 -8.987 1.00 2.99 C HETATM 1137 O10 KDH A 1 11.056 7.962 -9.572 1.00 3.91 O HETATM 1138 C12 KDH A 1 10.407 9.290 -7.622 1.00 2.07 C HETATM 1139 C14 KDH A 1 9.515 10.277 -7.046 1.00 1.26 C HETATM 1140 C15 KDH A 1 9.790 10.735 -5.744 1.00 0.94 C HETATM 1141 C20 KDH A 1 11.375 10.354 -3.826 1.00 2.17 C HETATM 1142 C21 KDH A 1 12.077 9.429 -2.970 1.00 3.11 C HETATM 1143 C24 KDH A 1 12.861 9.934 -1.875 1.00 3.89 C HETATM 1144 C26 KDH A 1 12.887 11.338 -1.571 1.00 3.84 C HETATM 1145 C29 KDH A 1 12.135 12.263 -2.394 1.00 3.01 C HETATM 1146 C31 KDH A 1 11.324 11.774 -3.483 1.00 2.10 C HETATM 1147 C33 KDH A 1 10.187 12.241 -5.702 1.00 0.94 C HETATM 1148 C36 KDH A 1 11.068 13.209 -7.697 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.894 12.890 -8.772 1.00 1.49 C HETATM 1150 C39 KDH A 1 12.428 13.956 -9.600 1.00 1.87 C HETATM 1151 C41 KDH A 1 12.210 11.512 -9.054 1.00 2.05 C HETATM 1152 C01 KDH A 1 10.464 12.653 -4.222 1.00 1.46 C HETATM 1153 O01 KDH A 1 10.758 9.889 -4.983 1.00 1.58 O HETATM 1154 O02 KDH A 1 13.593 9.070 -1.112 1.00 4.80 O HETATM 1155 O03 KDH A 1 12.193 13.598 -2.133 1.00 3.24 O HETATM 1156 C4 KDH A 1 8.377 10.769 -7.810 1.00 1.50 C HETATM 1157 O35 KDH A 1 11.333 12.524 -6.542 1.00 1.29 O HETATM 1158 O37 KDH A 1 10.173 14.053 -7.818 1.00 2.52 O HETATM 1159 C43 KDH A 1 13.025 11.184 -10.196 1.00 2.26 C HETATM 1160 O44 KDH A 1 13.319 9.886 -10.517 1.00 3.22 O HETATM 1161 C46 KDH A 1 13.548 12.239 -11.030 1.00 2.00 C HETATM 1162 O47 KDH A 1 14.315 11.933 -12.115 1.00 2.49 O HETATM 1163 C49 KDH A 1 13.264 13.630 -10.727 1.00 2.11 C HETATM 1164 O50 KDH A 1 13.802 14.601 -11.523 1.00 3.03 O HETATM 0 HO50 KDH A 1 14.568 14.235 -12.013 1.00 3.03 H new HETATM 0 HO47 KDH A 1 15.199 12.344 -12.017 1.00 2.49 H new HETATM 0 HO44 KDH A 1 13.890 9.867 -11.313 1.00 3.22 H new HETATM 0 HO10 KDH A 1 11.846 8.429 -9.915 1.00 3.91 H new HETATM 0 HO03 KDH A 1 11.294 13.931 -1.931 1.00 3.24 H new HETATM 0 HO02 KDH A 1 13.423 9.247 -0.163 1.00 4.80 H new HETATM 0 H01A KDH A 1 9.510 12.723 -3.699 1.00 1.46 H new HETATM 0 HO7 KDH A 1 9.668 8.400 -11.314 1.00 4.04 H new HETATM 0 HO1 KDH A 1 7.257 10.479 -10.853 1.00 2.83 H new HETATM 0 H41 KDH A 1 11.834 10.721 -8.405 1.00 2.05 H new HETATM 0 H4 KDH A 1 7.659 11.447 -7.349 1.00 1.50 H new HETATM 0 H39 KDH A 1 12.198 14.996 -9.370 1.00 1.87 H new HETATM 0 H33 KDH A 1 9.359 12.829 -6.098 1.00 0.94 H new HETATM 0 H26 KDH A 1 13.469 11.705 -0.726 1.00 3.84 H new HETATM 0 H21 KDH A 1 12.014 8.356 -3.152 1.00 3.11 H new HETATM 0 H15 KDH A 1 8.839 10.634 -5.221 1.00 0.94 H new HETATM 0 H12 KDH A 1 11.220 8.874 -7.027 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.904 13.650 -4.218 1.00 1.46 H new