USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 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 Set 1.1: A 138 LYS NZ :NH3+ 159:sc= 0.886 (180deg=0) USER MOD Set 1.2: A 144 ASN : amide:sc= 0.834 K(o=1.7,f=-2.3) USER MOD Single : A 1 KDH O02 : rot -122:sc= 0.13 USER MOD Single : A 1 KDH O03 : rot -120:sc= -0.0524 USER MOD Single : A 1 KDH O1 : rot 4:sc= 0.044 USER MOD Single : A 1 KDH O10 : rot 180:sc= 0.0014 USER MOD Single : A 1 KDH O44 : rot -173:sc= 0.0346 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.0406 USER MOD Single : A 1 KDH O50 : rot 160:sc= 0.0171 USER MOD Single : A 1 KDH O7 : rot -159:sc= 0.0657 USER MOD Single : A 90 MET CE :methyl 169:sc= 0 (180deg=-0.0757) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -6.97! C(o=-11!,f=-7!) 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 160:sc= -2.07 (180deg=-3.38!) USER MOD Single : A 122 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.0088) USER MOD Single : A 124 THR OG1 : rot -43:sc= 0.38 USER MOD Single : A 127 THR OG1 : rot 51:sc= 0.423 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0515 USER MOD Single : A 137 MET CE :methyl -172:sc= -5.79! (180deg=-6.1!) USER MOD Single : A 142 LYS NZ :NH3+ 150:sc= 0.523 (180deg=0.225) USER MOD Single : A 143 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.39) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -106:sc= -0.358 (180deg=-2.27!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 13.695 7.623 1.044 1.00 2.87 N ATOM 2 CA MET A 90 13.157 7.700 2.433 1.00 2.20 C ATOM 3 C MET A 90 11.630 7.583 2.416 1.00 1.76 C ATOM 4 O MET A 90 10.934 8.479 1.982 1.00 2.23 O ATOM 5 CB MET A 90 13.583 9.076 2.946 1.00 2.68 C ATOM 6 CG MET A 90 14.985 8.985 3.549 1.00 3.11 C ATOM 7 SD MET A 90 15.807 10.592 3.412 1.00 4.08 S ATOM 8 CE MET A 90 14.823 11.456 4.661 1.00 4.71 C ATOM 0 HA MET A 90 13.530 6.895 3.066 1.00 2.20 H new ATOM 0 HB2 MET A 90 13.573 9.799 2.130 1.00 2.68 H new ATOM 0 HB3 MET A 90 12.876 9.431 3.696 1.00 2.68 H new ATOM 0 HG2 MET A 90 14.924 8.684 4.595 1.00 3.11 H new ATOM 0 HG3 MET A 90 15.566 8.222 3.031 1.00 3.11 H new ATOM 0 HE1 MET A 90 15.284 12.418 4.886 1.00 4.71 H new ATOM 0 HE2 MET A 90 13.814 11.617 4.282 1.00 4.71 H new ATOM 0 HE3 MET A 90 14.778 10.854 5.569 1.00 4.71 H new ATOM 20 N GLY A 91 11.105 6.484 2.884 1.00 1.61 N ATOM 21 CA GLY A 91 9.624 6.311 2.894 1.00 1.31 C ATOM 22 C GLY A 91 9.276 4.871 2.511 1.00 1.37 C ATOM 23 O GLY A 91 10.142 4.032 2.360 1.00 1.61 O ATOM 0 H GLY A 91 11.637 5.699 3.260 1.00 1.61 H new ATOM 0 HA2 GLY A 91 9.227 6.542 3.883 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.161 7.007 2.194 1.00 1.31 H new ATOM 27 N LYS A 92 8.014 4.578 2.351 1.00 1.27 N ATOM 28 CA LYS A 92 7.614 3.191 1.977 1.00 1.47 C ATOM 29 C LYS A 92 6.131 3.152 1.597 1.00 1.40 C ATOM 30 O LYS A 92 5.779 2.931 0.455 1.00 1.56 O ATOM 31 CB LYS A 92 7.867 2.353 3.230 1.00 1.61 C ATOM 32 CG LYS A 92 8.811 1.198 2.890 1.00 1.94 C ATOM 33 CD LYS A 92 9.170 0.440 4.169 1.00 2.31 C ATOM 34 CE LYS A 92 10.465 -0.346 3.952 1.00 2.59 C ATOM 35 NZ LYS A 92 10.727 -1.020 5.254 1.00 3.20 N ATOM 0 H LYS A 92 7.244 5.237 2.463 1.00 1.27 H new ATOM 0 HA LYS A 92 8.172 2.819 1.118 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.302 2.973 4.014 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.925 1.965 3.617 1.00 1.61 H new ATOM 0 HG2 LYS A 92 8.337 0.524 2.176 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.715 1.580 2.415 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.291 1.139 4.996 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.362 -0.239 4.441 1.00 2.31 H new ATOM 0 HE2 LYS A 92 10.356 -1.072 3.146 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.287 0.315 3.677 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 11.601 -1.580 5.185 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.833 -0.304 6.001 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 9.931 -1.648 5.486 1.00 3.20 H new ATOM 49 N SER A 93 5.261 3.365 2.545 1.00 1.38 N ATOM 50 CA SER A 93 3.802 3.339 2.239 1.00 1.40 C ATOM 51 C SER A 93 3.092 4.494 2.949 1.00 1.20 C ATOM 52 O SER A 93 3.719 5.374 3.505 1.00 1.08 O ATOM 53 CB SER A 93 3.310 1.996 2.776 1.00 1.60 C ATOM 54 OG SER A 93 2.402 1.422 1.845 1.00 2.20 O ATOM 0 H SER A 93 5.497 3.556 3.519 1.00 1.38 H new ATOM 0 HA SER A 93 3.601 3.451 1.174 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.154 1.325 2.939 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.821 2.134 3.740 1.00 1.60 H new ATOM 0 HG SER A 93 2.086 0.559 2.186 1.00 2.20 H new ATOM 60 N GLU A 94 1.787 4.498 2.935 1.00 1.26 N ATOM 61 CA GLU A 94 1.038 5.596 3.610 1.00 1.17 C ATOM 62 C GLU A 94 1.510 5.742 5.059 1.00 1.12 C ATOM 63 O GLU A 94 1.363 6.783 5.668 1.00 1.09 O ATOM 64 CB GLU A 94 -0.426 5.161 3.563 1.00 1.33 C ATOM 65 CG GLU A 94 -0.858 4.987 2.106 1.00 1.28 C ATOM 66 CD GLU A 94 -1.841 3.820 2.000 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.634 2.833 2.687 1.00 2.09 O ATOM 68 OE2 GLU A 94 -2.783 3.932 1.233 1.00 1.94 O ATOM 0 H GLU A 94 1.207 3.789 2.486 1.00 1.26 H new ATOM 0 HA GLU A 94 1.192 6.561 3.127 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.556 4.225 4.107 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -1.054 5.905 4.054 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.324 5.903 1.742 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.013 4.801 1.477 1.00 1.28 H new ATOM 75 N GLU A 95 2.078 4.706 5.615 1.00 1.19 N ATOM 76 CA GLU A 95 2.562 4.787 7.022 1.00 1.23 C ATOM 77 C GLU A 95 3.696 5.809 7.127 1.00 1.03 C ATOM 78 O GLU A 95 3.672 6.696 7.958 1.00 1.01 O ATOM 79 CB GLU A 95 3.074 3.383 7.345 1.00 1.45 C ATOM 80 CG GLU A 95 3.764 3.390 8.711 1.00 1.90 C ATOM 81 CD GLU A 95 2.735 3.103 9.805 1.00 2.12 C ATOM 82 OE1 GLU A 95 1.604 2.798 9.462 1.00 2.49 O ATOM 83 OE2 GLU A 95 3.094 3.194 10.967 1.00 2.66 O ATOM 0 H GLU A 95 2.227 3.808 5.155 1.00 1.19 H new ATOM 0 HA GLU A 95 1.781 5.104 7.713 1.00 1.23 H new ATOM 0 HB2 GLU A 95 2.246 2.675 7.348 1.00 1.45 H new ATOM 0 HB3 GLU A 95 3.772 3.053 6.575 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.554 2.640 8.735 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.237 4.356 8.886 1.00 1.90 H new ATOM 90 N GLU A 96 4.689 5.691 6.290 1.00 1.02 N ATOM 91 CA GLU A 96 5.825 6.655 6.340 1.00 0.94 C ATOM 92 C GLU A 96 5.582 7.804 5.357 1.00 0.79 C ATOM 93 O GLU A 96 6.119 8.883 5.505 1.00 0.82 O ATOM 94 CB GLU A 96 7.053 5.841 5.929 1.00 1.15 C ATOM 95 CG GLU A 96 8.276 6.332 6.707 1.00 1.62 C ATOM 96 CD GLU A 96 8.241 5.767 8.128 1.00 1.99 C ATOM 97 OE1 GLU A 96 7.488 6.289 8.933 1.00 2.18 O ATOM 98 OE2 GLU A 96 8.968 4.822 8.387 1.00 2.78 O ATOM 0 H GLU A 96 4.764 4.969 5.573 1.00 1.02 H new ATOM 0 HA GLU A 96 5.948 7.103 7.326 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.884 4.783 6.127 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.226 5.941 4.858 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.190 6.019 6.203 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.286 7.422 6.738 1.00 1.62 H new ATOM 105 N LEU A 97 4.774 7.582 4.355 1.00 0.77 N ATOM 106 CA LEU A 97 4.497 8.666 3.369 1.00 0.71 C ATOM 107 C LEU A 97 4.084 9.944 4.102 1.00 0.67 C ATOM 108 O LEU A 97 4.462 11.036 3.728 1.00 0.75 O ATOM 109 CB LEU A 97 3.342 8.142 2.514 1.00 0.80 C ATOM 110 CG LEU A 97 3.861 7.761 1.126 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.648 8.931 0.532 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.775 6.540 1.245 1.00 1.22 C ATOM 0 H LEU A 97 4.295 6.699 4.177 1.00 0.77 H new ATOM 0 HA LEU A 97 5.370 8.910 2.764 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.886 7.276 2.993 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.567 8.903 2.427 1.00 0.80 H new ATOM 0 HG LEU A 97 3.019 7.526 0.475 1.00 0.77 H new ATOM 0 HD11 LEU A 97 5.017 8.657 -0.457 1.00 1.40 H new ATOM 0 HD12 LEU A 97 3.998 9.802 0.448 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.491 9.169 1.180 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.146 6.266 0.258 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.616 6.777 1.896 1.00 1.22 H new ATOM 0 HD23 LEU A 97 4.214 5.705 1.666 1.00 1.22 H new ATOM 124 N SER A 98 3.311 9.813 5.145 1.00 0.69 N ATOM 125 CA SER A 98 2.873 11.017 5.906 1.00 0.76 C ATOM 126 C SER A 98 4.078 11.681 6.577 1.00 0.72 C ATOM 127 O SER A 98 4.156 12.889 6.684 1.00 0.77 O ATOM 128 CB SER A 98 1.899 10.485 6.955 1.00 0.92 C ATOM 129 OG SER A 98 0.907 11.469 7.218 1.00 1.57 O ATOM 0 H SER A 98 2.964 8.923 5.503 1.00 0.69 H new ATOM 0 HA SER A 98 2.411 11.769 5.266 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.431 9.566 6.601 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.434 10.237 7.872 1.00 0.92 H new ATOM 0 HG SER A 98 0.279 11.129 7.890 1.00 1.57 H new ATOM 135 N ASP A 99 5.019 10.897 7.029 1.00 0.80 N ATOM 136 CA ASP A 99 6.222 11.478 7.693 1.00 0.86 C ATOM 137 C ASP A 99 7.094 12.201 6.663 1.00 0.81 C ATOM 138 O ASP A 99 8.054 12.863 7.003 1.00 0.91 O ATOM 139 CB ASP A 99 6.967 10.277 8.277 1.00 1.02 C ATOM 140 CG ASP A 99 6.772 10.243 9.794 1.00 1.23 C ATOM 141 OD1 ASP A 99 5.845 10.879 10.267 1.00 1.79 O ATOM 142 OD2 ASP A 99 7.554 9.582 10.457 1.00 1.83 O ATOM 0 H ASP A 99 5.007 9.879 6.967 1.00 0.80 H new ATOM 0 HA ASP A 99 5.962 12.209 8.459 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.596 9.354 7.831 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.028 10.343 8.038 1.00 1.02 H new ATOM 147 N LEU A 100 6.767 12.077 5.406 1.00 0.75 N ATOM 148 CA LEU A 100 7.574 12.755 4.353 1.00 0.76 C ATOM 149 C LEU A 100 6.943 14.102 3.991 1.00 0.68 C ATOM 150 O LEU A 100 7.627 15.074 3.738 1.00 0.79 O ATOM 151 CB LEU A 100 7.533 11.805 3.155 1.00 0.86 C ATOM 152 CG LEU A 100 8.956 11.403 2.768 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.662 10.789 3.979 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.903 10.375 1.635 1.00 1.41 C ATOM 0 H LEU A 100 5.975 11.535 5.062 1.00 0.75 H new ATOM 0 HA LEU A 100 8.594 12.959 4.679 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.949 10.919 3.401 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.039 12.288 2.312 1.00 0.86 H new ATOM 0 HG LEU A 100 9.505 12.284 2.437 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.677 10.503 3.702 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.699 11.519 4.787 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.114 9.907 4.311 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.917 10.087 1.357 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.354 9.494 1.968 1.00 1.41 H new ATOM 0 HD23 LEU A 100 8.400 10.811 0.772 1.00 1.41 H new ATOM 166 N PHE A 101 5.640 14.164 3.961 1.00 0.60 N ATOM 167 CA PHE A 101 4.956 15.443 3.614 1.00 0.59 C ATOM 168 C PHE A 101 5.434 16.572 4.531 1.00 0.60 C ATOM 169 O PHE A 101 5.434 17.729 4.159 1.00 0.72 O ATOM 170 CB PHE A 101 3.470 15.163 3.838 1.00 0.61 C ATOM 171 CG PHE A 101 2.649 16.255 3.197 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.259 16.141 1.857 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.276 17.380 3.941 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.498 17.152 1.261 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.514 18.392 3.346 1.00 0.73 C ATOM 176 CZ PHE A 101 1.125 18.278 2.006 1.00 0.69 C ATOM 0 H PHE A 101 5.017 13.382 4.162 1.00 0.60 H new ATOM 0 HA PHE A 101 5.166 15.760 2.592 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.203 14.196 3.412 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.256 15.112 4.905 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.546 15.272 1.283 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.576 17.467 4.975 1.00 0.68 H new ATOM 0 HE1 PHE A 101 1.198 17.065 0.227 1.00 0.90 H new ATOM 0 HE2 PHE A 101 1.226 19.260 3.920 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.537 19.059 1.546 1.00 0.69 H new ATOM 186 N ARG A 102 5.836 16.248 5.729 1.00 0.67 N ATOM 187 CA ARG A 102 6.308 17.306 6.669 1.00 0.76 C ATOM 188 C ARG A 102 7.612 17.930 6.161 1.00 0.68 C ATOM 189 O ARG A 102 7.851 19.109 6.328 1.00 0.78 O ATOM 190 CB ARG A 102 6.544 16.581 7.994 1.00 0.99 C ATOM 191 CG ARG A 102 7.628 15.518 7.808 1.00 1.30 C ATOM 192 CD ARG A 102 7.821 14.750 9.118 1.00 1.45 C ATOM 193 NE ARG A 102 9.289 14.790 9.373 1.00 2.12 N ATOM 194 CZ ARG A 102 9.788 14.207 10.431 1.00 2.71 C ATOM 195 NH1 ARG A 102 9.005 13.580 11.267 1.00 3.07 N ATOM 196 NH2 ARG A 102 11.074 14.251 10.652 1.00 3.37 N ATOM 0 H ARG A 102 5.858 15.297 6.098 1.00 0.67 H new ATOM 0 HA ARG A 102 5.587 18.118 6.768 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.846 17.293 8.762 1.00 0.99 H new ATOM 0 HB3 ARG A 102 5.619 16.117 8.336 1.00 0.99 H new ATOM 0 HG2 ARG A 102 7.346 14.831 7.010 1.00 1.30 H new ATOM 0 HG3 ARG A 102 8.565 15.987 7.508 1.00 1.30 H new ATOM 0 HD2 ARG A 102 7.266 15.214 9.933 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.463 13.724 9.031 1.00 1.45 H new ATOM 0 HE ARG A 102 9.906 15.274 8.720 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.000 13.544 11.095 1.00 3.07 H new ATOM 0 HH12 ARG A 102 9.398 13.126 12.092 1.00 3.07 H new ATOM 0 HH21 ARG A 102 11.687 14.740 10.000 1.00 3.37 H new ATOM 0 HH22 ARG A 102 11.466 13.797 11.477 1.00 3.37 H new ATOM 210 N MET A 103 8.457 17.149 5.546 1.00 0.71 N ATOM 211 CA MET A 103 9.745 17.702 5.034 1.00 0.75 C ATOM 212 C MET A 103 9.497 18.562 3.791 1.00 0.68 C ATOM 213 O MET A 103 9.927 19.695 3.713 1.00 0.83 O ATOM 214 CB MET A 103 10.590 16.479 4.679 1.00 0.93 C ATOM 215 CG MET A 103 12.074 16.846 4.747 1.00 1.27 C ATOM 216 SD MET A 103 13.003 15.474 5.474 1.00 1.82 S ATOM 217 CE MET A 103 14.541 16.376 5.779 1.00 2.43 C ATOM 0 H MET A 103 8.313 16.154 5.376 1.00 0.71 H new ATOM 0 HA MET A 103 10.239 18.340 5.767 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.375 15.663 5.368 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.337 16.127 3.679 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.451 17.066 3.748 1.00 1.27 H new ATOM 0 HG3 MET A 103 12.209 17.748 5.344 1.00 1.27 H new ATOM 0 HE1 MET A 103 15.271 15.707 6.234 1.00 2.43 H new ATOM 0 HE2 MET A 103 14.934 16.754 4.835 1.00 2.43 H new ATOM 0 HE3 MET A 103 14.346 17.211 6.451 1.00 2.43 H new ATOM 227 N PHE A 104 8.809 18.030 2.818 1.00 0.68 N ATOM 228 CA PHE A 104 8.536 18.817 1.581 1.00 0.79 C ATOM 229 C PHE A 104 7.910 20.168 1.937 1.00 0.71 C ATOM 230 O PHE A 104 8.094 21.150 1.245 1.00 0.88 O ATOM 231 CB PHE A 104 7.551 17.967 0.780 1.00 0.94 C ATOM 232 CG PHE A 104 8.120 16.582 0.588 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.471 16.420 0.256 1.00 2.03 C ATOM 234 CD2 PHE A 104 7.297 15.460 0.741 1.00 1.26 C ATOM 235 CE1 PHE A 104 9.998 15.135 0.078 1.00 2.65 C ATOM 236 CE2 PHE A 104 7.825 14.175 0.563 1.00 1.86 C ATOM 237 CZ PHE A 104 9.176 14.013 0.231 1.00 2.56 C ATOM 0 H PHE A 104 8.424 17.085 2.826 1.00 0.68 H new ATOM 0 HA PHE A 104 9.446 19.028 1.019 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.596 17.910 1.302 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.358 18.430 -0.188 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.106 17.286 0.137 1.00 2.03 H new ATOM 0 HD2 PHE A 104 6.255 15.585 0.996 1.00 1.26 H new ATOM 0 HE1 PHE A 104 11.040 15.010 -0.178 1.00 2.65 H new ATOM 0 HE2 PHE A 104 7.190 13.309 0.682 1.00 1.86 H new ATOM 0 HZ PHE A 104 9.583 13.022 0.093 1.00 2.56 H new ATOM 247 N ASP A 105 7.168 20.226 3.009 1.00 0.61 N ATOM 248 CA ASP A 105 6.529 21.515 3.404 1.00 0.60 C ATOM 249 C ASP A 105 7.594 22.520 3.853 1.00 0.56 C ATOM 250 O ASP A 105 7.589 22.981 4.978 1.00 0.63 O ATOM 251 CB ASP A 105 5.604 21.159 4.569 1.00 0.68 C ATOM 252 CG ASP A 105 4.827 22.403 5.003 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.753 22.623 4.468 1.00 0.84 O ATOM 254 OD2 ASP A 105 5.318 23.114 5.864 1.00 1.45 O ATOM 0 H ASP A 105 6.976 19.438 3.628 1.00 0.61 H new ATOM 0 HA ASP A 105 5.987 21.975 2.578 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.912 20.371 4.270 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.187 20.772 5.405 1.00 0.68 H new ATOM 259 N LYS A 106 8.505 22.868 2.984 1.00 0.59 N ATOM 260 CA LYS A 106 9.562 23.847 3.369 1.00 0.66 C ATOM 261 C LYS A 106 9.001 25.270 3.315 1.00 0.55 C ATOM 262 O LYS A 106 9.628 26.214 3.754 1.00 0.63 O ATOM 263 CB LYS A 106 10.675 23.668 2.335 1.00 0.87 C ATOM 264 CG LYS A 106 11.913 24.448 2.782 1.00 1.21 C ATOM 265 CD LYS A 106 13.041 24.241 1.770 1.00 1.61 C ATOM 266 CE LYS A 106 13.911 23.063 2.210 1.00 1.77 C ATOM 267 NZ LYS A 106 15.313 23.522 2.006 1.00 2.14 N ATOM 0 H LYS A 106 8.563 22.518 2.028 1.00 0.59 H new ATOM 0 HA LYS A 106 9.926 23.684 4.383 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.918 22.611 2.225 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.341 24.022 1.360 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.676 25.509 2.867 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.230 24.112 3.769 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.626 24.050 0.780 1.00 1.61 H new ATOM 0 HD3 LYS A 106 13.646 25.145 1.693 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.728 22.805 3.253 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.697 22.172 1.619 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.970 22.766 2.286 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 15.460 23.754 1.003 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 15.490 24.367 2.586 1.00 2.14 H new ATOM 281 N ASN A 107 7.822 25.430 2.780 1.00 0.48 N ATOM 282 CA ASN A 107 7.216 26.789 2.698 1.00 0.50 C ATOM 283 C ASN A 107 6.409 27.083 3.966 1.00 0.58 C ATOM 284 O ASN A 107 6.083 28.216 4.257 1.00 0.70 O ATOM 285 CB ASN A 107 6.299 26.741 1.475 1.00 0.54 C ATOM 286 CG ASN A 107 7.102 26.281 0.258 1.00 0.70 C ATOM 287 OD1 ASN A 107 7.257 25.004 0.040 1.00 1.00 O flip ATOM 288 ND2 ASN A 107 7.593 27.091 -0.502 1.00 0.78 N flip ATOM 0 H ASN A 107 7.251 24.677 2.395 1.00 0.48 H new ATOM 0 HA ASN A 107 7.968 27.574 2.611 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.468 26.059 1.656 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.869 27.725 1.290 1.00 0.54 H new ATOM 0 HD21 ASN A 107 7.472 28.089 -0.331 1.00 0.78 H new ATOM 0 HD22 ASN A 107 8.127 26.773 -1.311 1.00 0.78 H new ATOM 295 N ALA A 108 6.086 26.068 4.721 1.00 0.65 N ATOM 296 CA ALA A 108 5.299 26.282 5.971 1.00 0.84 C ATOM 297 C ALA A 108 3.877 26.736 5.629 1.00 0.78 C ATOM 298 O ALA A 108 3.645 27.878 5.281 1.00 0.96 O ATOM 299 CB ALA A 108 6.049 27.378 6.733 1.00 1.03 C ATOM 0 H ALA A 108 6.333 25.098 4.526 1.00 0.65 H new ATOM 0 HA ALA A 108 5.206 25.371 6.562 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.530 27.592 7.667 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.063 27.042 6.950 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.089 28.282 6.125 1.00 1.03 H new ATOM 305 N ASP A 109 2.922 25.849 5.726 1.00 0.73 N ATOM 306 CA ASP A 109 1.515 26.229 5.406 1.00 0.74 C ATOM 307 C ASP A 109 0.586 25.020 5.564 1.00 0.78 C ATOM 308 O ASP A 109 -0.579 25.158 5.880 1.00 0.96 O ATOM 309 CB ASP A 109 1.549 26.691 3.948 1.00 0.72 C ATOM 310 CG ASP A 109 2.380 25.712 3.117 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.220 24.518 3.307 1.00 1.95 O ATOM 312 OD2 ASP A 109 3.162 26.174 2.303 1.00 1.66 O ATOM 0 H ASP A 109 3.055 24.879 6.013 1.00 0.73 H new ATOM 0 HA ASP A 109 1.139 27.006 6.072 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.535 26.751 3.551 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.976 27.692 3.883 1.00 0.72 H new ATOM 317 N GLY A 110 1.090 23.836 5.342 1.00 0.76 N ATOM 318 CA GLY A 110 0.232 22.625 5.476 1.00 0.85 C ATOM 319 C GLY A 110 -0.019 22.028 4.091 1.00 0.70 C ATOM 320 O GLY A 110 -0.367 20.872 3.955 1.00 0.73 O ATOM 0 H GLY A 110 2.058 23.656 5.074 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.717 21.891 6.119 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.715 22.886 5.949 1.00 0.85 H new ATOM 324 N TYR A 111 0.158 22.809 3.060 1.00 0.68 N ATOM 325 CA TYR A 111 -0.067 22.291 1.681 1.00 0.60 C ATOM 326 C TYR A 111 1.179 22.524 0.822 1.00 0.58 C ATOM 327 O TYR A 111 2.082 23.243 1.204 1.00 0.83 O ATOM 328 CB TYR A 111 -1.250 23.097 1.144 1.00 0.68 C ATOM 329 CG TYR A 111 -2.390 23.032 2.133 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.396 23.875 3.250 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.440 22.127 1.933 1.00 0.71 C ATOM 332 CE1 TYR A 111 -3.451 23.814 4.168 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.495 22.067 2.851 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.501 22.910 3.968 1.00 0.80 C ATOM 335 OH TYR A 111 -5.542 22.850 4.872 1.00 0.90 O ATOM 0 H TYR A 111 0.449 23.785 3.114 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.266 21.219 1.667 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.954 24.133 0.980 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.567 22.700 0.180 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.586 24.573 3.404 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -3.436 21.476 1.071 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -3.455 24.464 5.030 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -5.305 21.370 2.697 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.187 22.171 4.584 1.00 0.90 H new ATOM 345 N ILE A 112 1.239 21.919 -0.333 1.00 0.50 N ATOM 346 CA ILE A 112 2.431 22.104 -1.209 1.00 0.50 C ATOM 347 C ILE A 112 2.023 22.718 -2.551 1.00 0.49 C ATOM 348 O ILE A 112 1.451 22.060 -3.398 1.00 0.66 O ATOM 349 CB ILE A 112 2.991 20.697 -1.414 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.611 20.198 -0.106 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.063 20.729 -2.505 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.180 18.794 -0.315 1.00 0.66 C ATOM 0 H ILE A 112 0.515 21.305 -0.708 1.00 0.50 H new ATOM 0 HA ILE A 112 3.164 22.778 -0.766 1.00 0.50 H new ATOM 0 HB ILE A 112 2.186 20.026 -1.714 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.400 20.877 0.217 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.859 20.184 0.683 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.463 19.726 -2.652 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.623 21.084 -3.437 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.868 21.400 -2.205 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.622 18.438 0.616 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.380 18.119 -0.619 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.944 18.823 -1.091 1.00 0.66 H new ATOM 364 N ASP A 113 2.319 23.973 -2.755 1.00 0.47 N ATOM 365 CA ASP A 113 1.954 24.625 -4.046 1.00 0.50 C ATOM 366 C ASP A 113 2.969 24.245 -5.129 1.00 0.50 C ATOM 367 O ASP A 113 3.881 23.477 -4.894 1.00 0.57 O ATOM 368 CB ASP A 113 2.010 26.127 -3.761 1.00 0.60 C ATOM 369 CG ASP A 113 0.638 26.612 -3.290 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.288 26.327 -2.157 1.00 1.77 O ATOM 371 OD2 ASP A 113 -0.039 27.260 -4.071 1.00 1.85 O ATOM 0 H ASP A 113 2.797 24.575 -2.085 1.00 0.47 H new ATOM 0 HA ASP A 113 0.972 24.316 -4.405 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.761 26.335 -2.999 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.309 26.667 -4.659 1.00 0.60 H new ATOM 376 N LEU A 114 2.820 24.776 -6.312 1.00 0.52 N ATOM 377 CA LEU A 114 3.779 24.442 -7.405 1.00 0.57 C ATOM 378 C LEU A 114 5.160 25.027 -7.098 1.00 0.63 C ATOM 379 O LEU A 114 6.176 24.466 -7.458 1.00 0.80 O ATOM 380 CB LEU A 114 3.195 25.093 -8.660 1.00 0.62 C ATOM 381 CG LEU A 114 1.822 24.491 -8.960 1.00 0.61 C ATOM 382 CD1 LEU A 114 0.743 25.553 -8.750 1.00 0.91 C ATOM 383 CD2 LEU A 114 1.787 24.009 -10.412 1.00 0.81 C ATOM 0 H LEU A 114 2.077 25.426 -6.569 1.00 0.52 H new ATOM 0 HA LEU A 114 3.907 23.366 -7.523 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.107 26.170 -8.516 1.00 0.62 H new ATOM 0 HB3 LEU A 114 3.864 24.938 -9.507 1.00 0.62 H new ATOM 0 HG LEU A 114 1.638 23.650 -8.291 1.00 0.61 H new ATOM 0 HD11 LEU A 114 -0.236 25.124 -8.964 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.770 25.899 -7.717 1.00 0.91 H new ATOM 0 HD13 LEU A 114 0.925 26.394 -9.419 1.00 0.91 H new ATOM 0 HD21 LEU A 114 0.809 23.579 -10.629 1.00 0.81 H new ATOM 0 HD22 LEU A 114 1.969 24.851 -11.079 1.00 0.81 H new ATOM 0 HD23 LEU A 114 2.557 23.253 -10.563 1.00 0.81 H new ATOM 395 N ASP A 115 5.205 26.156 -6.444 1.00 0.61 N ATOM 396 CA ASP A 115 6.521 26.781 -6.124 1.00 0.71 C ATOM 397 C ASP A 115 7.296 25.924 -5.118 1.00 0.65 C ATOM 398 O ASP A 115 8.503 26.017 -5.013 1.00 0.89 O ATOM 399 CB ASP A 115 6.176 28.141 -5.518 1.00 0.80 C ATOM 400 CG ASP A 115 6.478 29.241 -6.536 1.00 1.17 C ATOM 401 OD1 ASP A 115 6.440 28.951 -7.721 1.00 1.76 O ATOM 402 OD2 ASP A 115 6.745 30.355 -6.115 1.00 1.76 O ATOM 0 H ASP A 115 4.388 26.672 -6.118 1.00 0.61 H new ATOM 0 HA ASP A 115 7.154 26.874 -7.006 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.123 28.170 -5.236 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.754 28.303 -4.608 1.00 0.80 H new ATOM 407 N GLU A 116 6.618 25.088 -4.380 1.00 0.51 N ATOM 408 CA GLU A 116 7.331 24.230 -3.388 1.00 0.48 C ATOM 409 C GLU A 116 7.974 23.035 -4.095 1.00 0.49 C ATOM 410 O GLU A 116 9.124 22.712 -3.870 1.00 0.63 O ATOM 411 CB GLU A 116 6.253 23.759 -2.412 1.00 0.48 C ATOM 412 CG GLU A 116 5.418 24.954 -1.950 1.00 0.57 C ATOM 413 CD GLU A 116 4.715 24.601 -0.639 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.994 23.537 -0.111 1.00 1.19 O ATOM 415 OE2 GLU A 116 3.912 25.399 -0.185 1.00 1.36 O ATOM 0 H GLU A 116 5.607 24.961 -4.419 1.00 0.51 H new ATOM 0 HA GLU A 116 8.129 24.768 -2.877 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.612 23.019 -2.892 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.714 23.272 -1.553 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.056 25.826 -1.810 1.00 0.57 H new ATOM 0 HG3 GLU A 116 4.683 25.215 -2.711 1.00 0.57 H new ATOM 422 N LEU A 117 7.242 22.376 -4.951 1.00 0.48 N ATOM 423 CA LEU A 117 7.813 21.204 -5.674 1.00 0.52 C ATOM 424 C LEU A 117 9.095 21.613 -6.405 1.00 0.58 C ATOM 425 O LEU A 117 9.902 20.784 -6.776 1.00 0.69 O ATOM 426 CB LEU A 117 6.731 20.789 -6.673 1.00 0.55 C ATOM 427 CG LEU A 117 5.463 20.384 -5.918 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.296 20.276 -6.900 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.682 19.029 -5.240 1.00 0.53 C ATOM 0 H LEU A 117 6.273 22.598 -5.181 1.00 0.48 H new ATOM 0 HA LEU A 117 8.077 20.388 -5.001 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.514 21.613 -7.353 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.084 19.958 -7.283 1.00 0.55 H new ATOM 0 HG LEU A 117 5.236 21.137 -5.163 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.393 19.987 -6.362 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.138 21.240 -7.384 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.524 19.524 -7.655 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.779 18.741 -4.702 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.910 18.277 -5.995 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.513 19.103 -4.539 1.00 0.53 H new ATOM 441 N LYS A 118 9.288 22.888 -6.614 1.00 0.59 N ATOM 442 CA LYS A 118 10.518 23.353 -7.319 1.00 0.69 C ATOM 443 C LYS A 118 11.749 23.137 -6.434 1.00 0.64 C ATOM 444 O LYS A 118 12.762 22.632 -6.874 1.00 0.73 O ATOM 445 CB LYS A 118 10.291 24.846 -7.566 1.00 0.83 C ATOM 446 CG LYS A 118 11.356 25.374 -8.530 1.00 0.99 C ATOM 447 CD LYS A 118 12.329 26.281 -7.772 1.00 1.35 C ATOM 448 CE LYS A 118 12.940 27.298 -8.738 1.00 1.51 C ATOM 449 NZ LYS A 118 14.181 26.648 -9.244 1.00 1.99 N ATOM 0 H LYS A 118 8.647 23.628 -6.327 1.00 0.59 H new ATOM 0 HA LYS A 118 10.694 22.808 -8.246 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.297 25.009 -7.982 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.336 25.392 -6.624 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.896 24.542 -8.983 1.00 0.99 H new ATOM 0 HG3 LYS A 118 10.884 25.928 -9.342 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.808 26.797 -6.966 1.00 1.35 H new ATOM 0 HD3 LYS A 118 13.116 25.683 -7.312 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.255 27.530 -9.553 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.164 28.238 -8.233 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 14.658 27.285 -9.914 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 14.817 26.445 -8.446 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 13.936 25.759 -9.726 1.00 1.99 H new ATOM 463 N ILE A 119 11.669 23.520 -5.188 1.00 0.68 N ATOM 464 CA ILE A 119 12.836 23.342 -4.275 1.00 0.74 C ATOM 465 C ILE A 119 12.766 21.981 -3.577 1.00 0.75 C ATOM 466 O ILE A 119 13.774 21.388 -3.248 1.00 0.85 O ATOM 467 CB ILE A 119 12.713 24.470 -3.252 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.643 25.814 -3.981 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.930 24.454 -2.327 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.239 26.403 -3.831 1.00 1.06 C ATOM 0 H ILE A 119 10.847 23.948 -4.763 1.00 0.68 H new ATOM 0 HA ILE A 119 13.784 23.375 -4.811 1.00 0.74 H new ATOM 0 HB ILE A 119 11.807 24.329 -2.662 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.383 26.501 -3.571 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.882 25.680 -5.036 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.843 25.259 -1.597 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.980 23.497 -1.808 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.836 24.595 -2.916 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.189 27.360 -4.350 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.509 25.718 -4.262 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.018 26.551 -2.774 1.00 1.06 H new ATOM 482 N MET A 120 11.585 21.482 -3.343 1.00 0.85 N ATOM 483 CA MET A 120 11.457 20.163 -2.662 1.00 1.01 C ATOM 484 C MET A 120 12.236 19.087 -3.427 1.00 0.95 C ATOM 485 O MET A 120 12.715 18.129 -2.852 1.00 1.11 O ATOM 486 CB MET A 120 9.959 19.854 -2.678 1.00 1.17 C ATOM 487 CG MET A 120 9.731 18.405 -2.246 1.00 1.52 C ATOM 488 SD MET A 120 9.303 17.406 -3.694 1.00 1.88 S ATOM 489 CE MET A 120 8.378 16.121 -2.818 1.00 1.43 C ATOM 0 H MET A 120 10.703 21.930 -3.593 1.00 0.85 H new ATOM 0 HA MET A 120 11.860 20.183 -1.650 1.00 1.01 H new ATOM 0 HB2 MET A 120 9.430 20.532 -2.008 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.555 20.014 -3.677 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.629 18.010 -1.771 1.00 1.52 H new ATOM 0 HG3 MET A 120 8.931 18.356 -1.507 1.00 1.52 H new ATOM 0 HE1 MET A 120 7.729 15.598 -3.520 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.075 15.412 -2.371 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.773 16.578 -2.035 1.00 1.43 H new ATOM 499 N LEU A 121 12.361 19.233 -4.718 1.00 0.87 N ATOM 500 CA LEU A 121 13.102 18.210 -5.515 1.00 0.95 C ATOM 501 C LEU A 121 14.594 18.555 -5.596 1.00 0.87 C ATOM 502 O LEU A 121 15.413 17.721 -5.925 1.00 0.97 O ATOM 503 CB LEU A 121 12.467 18.255 -6.905 1.00 1.09 C ATOM 504 CG LEU A 121 11.986 16.856 -7.291 1.00 1.41 C ATOM 505 CD1 LEU A 121 10.635 16.579 -6.630 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.836 16.771 -8.812 1.00 1.80 C ATOM 0 H LEU A 121 11.984 20.014 -5.255 1.00 0.87 H new ATOM 0 HA LEU A 121 13.037 17.220 -5.064 1.00 0.95 H new ATOM 0 HB2 LEU A 121 11.630 18.954 -6.912 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.190 18.617 -7.636 1.00 1.09 H new ATOM 0 HG LEU A 121 12.713 16.117 -6.954 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.293 15.582 -6.906 1.00 2.03 H new ATOM 0 HD12 LEU A 121 10.741 16.640 -5.547 1.00 2.03 H new ATOM 0 HD13 LEU A 121 9.907 17.318 -6.966 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.493 15.774 -9.089 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.109 17.511 -9.148 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.799 16.968 -9.284 1.00 1.80 H new ATOM 518 N GLN A 122 14.954 19.775 -5.303 1.00 0.82 N ATOM 519 CA GLN A 122 16.395 20.163 -5.371 1.00 0.95 C ATOM 520 C GLN A 122 17.263 19.125 -4.650 1.00 1.04 C ATOM 521 O GLN A 122 18.444 19.004 -4.909 1.00 1.19 O ATOM 522 CB GLN A 122 16.479 21.517 -4.664 1.00 1.14 C ATOM 523 CG GLN A 122 17.054 22.559 -5.624 1.00 1.42 C ATOM 524 CD GLN A 122 17.393 23.834 -4.849 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.461 23.946 -4.280 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.524 24.806 -4.802 1.00 2.28 N ATOM 0 H GLN A 122 14.316 20.519 -5.020 1.00 0.82 H new ATOM 0 HA GLN A 122 16.756 20.217 -6.398 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.489 21.825 -4.326 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.108 21.438 -3.777 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.948 22.167 -6.110 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.334 22.780 -6.412 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.628 24.712 -5.280 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.741 25.660 -4.288 1.00 2.28 H new ATOM 535 N ALA A 123 16.689 18.377 -3.748 1.00 1.09 N ATOM 536 CA ALA A 123 17.485 17.350 -3.014 1.00 1.33 C ATOM 537 C ALA A 123 18.208 16.433 -4.004 1.00 1.38 C ATOM 538 O ALA A 123 19.202 15.813 -3.679 1.00 1.62 O ATOM 539 CB ALA A 123 16.457 16.560 -2.204 1.00 1.45 C ATOM 0 H ALA A 123 15.704 18.432 -3.487 1.00 1.09 H new ATOM 0 HA ALA A 123 18.250 17.796 -2.379 1.00 1.33 H new ATOM 0 HB1 ALA A 123 16.964 15.782 -1.633 1.00 1.45 H new ATOM 0 HB2 ALA A 123 15.938 17.232 -1.520 1.00 1.45 H new ATOM 0 HB3 ALA A 123 15.735 16.102 -2.880 1.00 1.45 H new ATOM 545 N THR A 124 17.719 16.343 -5.210 1.00 1.29 N ATOM 546 CA THR A 124 18.381 15.466 -6.218 1.00 1.47 C ATOM 547 C THR A 124 18.964 16.314 -7.352 1.00 1.44 C ATOM 548 O THR A 124 19.344 15.806 -8.388 1.00 1.72 O ATOM 549 CB THR A 124 17.268 14.558 -6.744 1.00 1.56 C ATOM 550 OG1 THR A 124 17.831 13.557 -7.580 1.00 2.16 O ATOM 551 CG2 THR A 124 16.263 15.389 -7.542 1.00 1.92 C ATOM 0 H THR A 124 16.891 16.838 -5.541 1.00 1.29 H new ATOM 0 HA THR A 124 19.206 14.894 -5.792 1.00 1.47 H new ATOM 0 HB THR A 124 16.757 14.085 -5.905 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.507 13.960 -8.164 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.471 14.741 -7.916 1.00 1.92 H new ATOM 0 HG22 THR A 124 15.831 16.155 -6.898 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.770 15.865 -8.382 1.00 1.92 H new ATOM 559 N GLY A 125 19.036 17.603 -7.162 1.00 1.26 N ATOM 560 CA GLY A 125 19.594 18.485 -8.227 1.00 1.32 C ATOM 561 C GLY A 125 18.568 18.642 -9.350 1.00 1.26 C ATOM 562 O GLY A 125 18.913 18.730 -10.512 1.00 1.63 O ATOM 0 H GLY A 125 18.733 18.084 -6.315 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.845 19.461 -7.811 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.517 18.059 -8.620 1.00 1.32 H new ATOM 566 N GLU A 126 17.307 18.676 -9.015 1.00 1.02 N ATOM 567 CA GLU A 126 16.261 18.826 -10.067 1.00 1.08 C ATOM 568 C GLU A 126 16.557 20.049 -10.939 1.00 0.89 C ATOM 569 O GLU A 126 16.148 21.153 -10.637 1.00 0.87 O ATOM 570 CB GLU A 126 14.950 19.015 -9.300 1.00 1.34 C ATOM 571 CG GLU A 126 15.003 20.321 -8.503 1.00 1.45 C ATOM 572 CD GLU A 126 14.062 21.348 -9.137 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.248 20.952 -9.955 1.00 2.16 O ATOM 574 OE2 GLU A 126 14.171 22.513 -8.792 1.00 2.09 O ATOM 0 H GLU A 126 16.956 18.607 -8.060 1.00 1.02 H new ATOM 0 HA GLU A 126 16.221 17.965 -10.734 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.110 19.035 -9.995 1.00 1.34 H new ATOM 0 HB3 GLU A 126 14.786 18.173 -8.627 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.715 20.139 -7.468 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.022 20.708 -8.487 1.00 1.45 H new ATOM 581 N THR A 127 17.259 19.863 -12.024 1.00 1.09 N ATOM 582 CA THR A 127 17.567 21.018 -12.912 1.00 1.21 C ATOM 583 C THR A 127 16.816 20.863 -14.232 1.00 1.29 C ATOM 584 O THR A 127 17.286 20.231 -15.157 1.00 1.60 O ATOM 585 CB THR A 127 19.077 20.950 -13.143 1.00 1.57 C ATOM 586 OG1 THR A 127 19.439 19.624 -13.505 1.00 1.91 O ATOM 587 CG2 THR A 127 19.810 21.349 -11.862 1.00 2.18 C ATOM 0 H THR A 127 17.631 18.965 -12.332 1.00 1.09 H new ATOM 0 HA THR A 127 17.268 21.972 -12.478 1.00 1.21 H new ATOM 0 HB THR A 127 19.354 21.635 -13.945 1.00 1.57 H new ATOM 0 HG1 THR A 127 18.864 19.316 -14.236 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.886 21.300 -12.028 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.532 22.366 -11.585 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.536 20.666 -11.058 1.00 2.18 H new ATOM 595 N ILE A 128 15.650 21.433 -14.326 1.00 1.08 N ATOM 596 CA ILE A 128 14.864 21.317 -15.584 1.00 1.20 C ATOM 597 C ILE A 128 14.228 22.664 -15.934 1.00 1.18 C ATOM 598 O ILE A 128 14.244 23.591 -15.149 1.00 1.15 O ATOM 599 CB ILE A 128 13.793 20.267 -15.285 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.205 20.514 -13.892 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.420 18.873 -15.335 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.202 19.409 -13.557 1.00 2.03 C ATOM 0 H ILE A 128 15.206 21.975 -13.585 1.00 1.08 H new ATOM 0 HA ILE A 128 15.481 21.032 -16.436 1.00 1.20 H new ATOM 0 HB ILE A 128 12.999 20.337 -16.029 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.001 20.534 -13.148 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.714 21.487 -13.860 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.658 18.123 -15.122 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.836 18.696 -16.327 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.214 18.804 -14.592 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.784 19.585 -12.566 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.400 19.410 -14.295 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.707 18.443 -13.571 1.00 2.03 H new ATOM 614 N THR A 129 13.665 22.778 -17.104 1.00 1.34 N ATOM 615 CA THR A 129 13.025 24.064 -17.500 1.00 1.42 C ATOM 616 C THR A 129 11.760 24.299 -16.670 1.00 1.16 C ATOM 617 O THR A 129 11.158 23.373 -16.163 1.00 0.97 O ATOM 618 CB THR A 129 12.677 23.892 -18.979 1.00 1.64 C ATOM 619 OG1 THR A 129 12.071 22.623 -19.176 1.00 2.23 O ATOM 620 CG2 THR A 129 13.953 23.987 -19.816 1.00 2.28 C ATOM 0 H THR A 129 13.620 22.037 -17.803 1.00 1.34 H new ATOM 0 HA THR A 129 13.676 24.922 -17.334 1.00 1.42 H new ATOM 0 HB THR A 129 11.984 24.676 -19.285 1.00 1.64 H new ATOM 0 HG1 THR A 129 11.846 22.512 -20.123 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.706 23.865 -20.871 1.00 2.28 H new ATOM 0 HG22 THR A 129 14.417 24.961 -19.663 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.647 23.203 -19.512 1.00 2.28 H new ATOM 628 N GLU A 130 11.355 25.530 -16.524 1.00 1.31 N ATOM 629 CA GLU A 130 10.131 25.824 -15.723 1.00 1.28 C ATOM 630 C GLU A 130 8.946 25.004 -16.240 1.00 1.16 C ATOM 631 O GLU A 130 8.082 24.602 -15.487 1.00 1.21 O ATOM 632 CB GLU A 130 9.876 27.319 -15.924 1.00 1.69 C ATOM 633 CG GLU A 130 9.628 27.601 -17.408 1.00 2.05 C ATOM 634 CD GLU A 130 10.090 29.020 -17.744 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.565 29.949 -17.152 1.00 3.03 O ATOM 636 OE2 GLU A 130 10.961 29.154 -18.587 1.00 2.70 O ATOM 0 H GLU A 130 11.818 26.346 -16.924 1.00 1.31 H new ATOM 0 HA GLU A 130 10.257 25.568 -14.671 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.015 27.634 -15.334 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.732 27.895 -15.572 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.166 26.878 -18.021 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.569 27.488 -17.638 1.00 2.05 H new ATOM 643 N ASP A 131 8.897 24.755 -17.520 1.00 1.18 N ATOM 644 CA ASP A 131 7.765 23.964 -18.083 1.00 1.19 C ATOM 645 C ASP A 131 7.782 22.537 -17.526 1.00 1.07 C ATOM 646 O ASP A 131 6.786 21.842 -17.544 1.00 1.14 O ATOM 647 CB ASP A 131 8.007 23.950 -19.592 1.00 1.44 C ATOM 648 CG ASP A 131 7.131 22.875 -20.239 1.00 1.48 C ATOM 649 OD1 ASP A 131 5.928 23.072 -20.292 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.678 21.874 -20.669 1.00 1.91 O ATOM 0 H ASP A 131 9.591 25.065 -18.200 1.00 1.18 H new ATOM 0 HA ASP A 131 6.796 24.392 -17.826 1.00 1.19 H new ATOM 0 HB2 ASP A 131 7.776 24.927 -20.017 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.058 23.752 -19.801 1.00 1.44 H new ATOM 655 N ASP A 132 8.907 22.096 -17.035 1.00 1.00 N ATOM 656 CA ASP A 132 8.989 20.713 -16.482 1.00 1.03 C ATOM 657 C ASP A 132 8.361 20.656 -15.086 1.00 0.88 C ATOM 658 O ASP A 132 8.101 19.594 -14.556 1.00 1.03 O ATOM 659 CB ASP A 132 10.486 20.406 -16.411 1.00 1.13 C ATOM 660 CG ASP A 132 10.813 19.230 -17.333 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.135 19.084 -18.337 1.00 1.99 O ATOM 662 OD2 ASP A 132 11.736 18.497 -17.020 1.00 1.79 O ATOM 0 H ASP A 132 9.773 22.633 -16.992 1.00 1.00 H new ATOM 0 HA ASP A 132 8.451 19.991 -17.097 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.062 21.283 -16.706 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.770 20.168 -15.386 1.00 1.13 H new ATOM 667 N ILE A 133 8.118 21.788 -14.486 1.00 0.75 N ATOM 668 CA ILE A 133 7.509 21.793 -13.124 1.00 0.77 C ATOM 669 C ILE A 133 6.075 21.259 -13.184 1.00 0.70 C ATOM 670 O ILE A 133 5.759 20.235 -12.610 1.00 0.82 O ATOM 671 CB ILE A 133 7.519 23.258 -12.692 1.00 0.87 C ATOM 672 CG1 ILE A 133 8.954 23.789 -12.738 1.00 0.96 C ATOM 673 CG2 ILE A 133 6.980 23.375 -11.265 1.00 1.06 C ATOM 674 CD1 ILE A 133 9.850 22.912 -11.862 1.00 1.00 C ATOM 0 H ILE A 133 8.314 22.709 -14.878 1.00 0.75 H new ATOM 0 HA ILE A 133 8.054 21.159 -12.425 1.00 0.77 H new ATOM 0 HB ILE A 133 6.890 23.840 -13.366 1.00 0.87 H new ATOM 0 HG12 ILE A 133 9.320 23.790 -13.765 1.00 0.96 H new ATOM 0 HG13 ILE A 133 8.983 24.821 -12.388 1.00 0.96 H new ATOM 0 HG21 ILE A 133 6.988 24.421 -10.958 1.00 1.06 H new ATOM 0 HG22 ILE A 133 5.960 22.994 -11.229 1.00 1.06 H new ATOM 0 HG23 ILE A 133 7.608 22.794 -10.590 1.00 1.06 H new ATOM 0 HD11 ILE A 133 10.872 23.289 -11.894 1.00 1.00 H new ATOM 0 HD12 ILE A 133 9.487 22.934 -10.834 1.00 1.00 H new ATOM 0 HD13 ILE A 133 9.830 21.887 -12.232 1.00 1.00 H new ATOM 686 N GLU A 134 5.207 21.943 -13.876 1.00 0.61 N ATOM 687 CA GLU A 134 3.795 21.474 -13.976 1.00 0.64 C ATOM 688 C GLU A 134 3.757 20.001 -14.390 1.00 0.64 C ATOM 689 O GLU A 134 2.779 19.311 -14.177 1.00 0.76 O ATOM 690 CB GLU A 134 3.165 22.349 -15.061 1.00 0.73 C ATOM 691 CG GLU A 134 3.032 23.784 -14.551 1.00 0.89 C ATOM 692 CD GLU A 134 3.121 24.755 -15.731 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.228 25.128 -16.084 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.080 25.107 -16.261 1.00 1.86 O ATOM 0 H GLU A 134 5.414 22.807 -14.377 1.00 0.61 H new ATOM 0 HA GLU A 134 3.265 21.553 -13.027 1.00 0.64 H new ATOM 0 HB2 GLU A 134 3.779 22.328 -15.961 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.185 21.957 -15.334 1.00 0.73 H new ATOM 0 HG2 GLU A 134 2.081 23.911 -14.033 1.00 0.89 H new ATOM 0 HG3 GLU A 134 3.820 23.999 -13.829 1.00 0.89 H new ATOM 701 N GLU A 135 4.813 19.516 -14.984 1.00 0.59 N ATOM 702 CA GLU A 135 4.840 18.090 -15.418 1.00 0.67 C ATOM 703 C GLU A 135 4.541 17.160 -14.237 1.00 0.74 C ATOM 704 O GLU A 135 3.875 16.154 -14.383 1.00 0.91 O ATOM 705 CB GLU A 135 6.262 17.865 -15.931 1.00 0.72 C ATOM 706 CG GLU A 135 6.265 16.716 -16.942 1.00 1.16 C ATOM 707 CD GLU A 135 6.629 15.413 -16.230 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.608 15.413 -15.502 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.923 14.437 -16.425 1.00 2.03 O ATOM 0 H GLU A 135 5.660 20.047 -15.188 1.00 0.59 H new ATOM 0 HA GLU A 135 4.089 17.878 -16.179 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.640 18.775 -16.398 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.927 17.633 -15.099 1.00 0.72 H new ATOM 0 HG2 GLU A 135 5.284 16.626 -17.410 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.980 16.920 -17.739 1.00 1.16 H new ATOM 716 N LEU A 136 5.029 17.482 -13.070 1.00 0.73 N ATOM 717 CA LEU A 136 4.769 16.608 -11.888 1.00 0.87 C ATOM 718 C LEU A 136 3.463 17.015 -11.201 1.00 0.81 C ATOM 719 O LEU A 136 2.805 16.211 -10.571 1.00 1.00 O ATOM 720 CB LEU A 136 5.956 16.838 -10.953 1.00 0.99 C ATOM 721 CG LEU A 136 7.248 16.407 -11.647 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.378 17.357 -11.253 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.608 14.983 -11.217 1.00 1.75 C ATOM 0 H LEU A 136 5.595 18.310 -12.883 1.00 0.73 H new ATOM 0 HA LEU A 136 4.667 15.560 -12.169 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.014 17.890 -10.675 1.00 0.99 H new ATOM 0 HB3 LEU A 136 5.820 16.272 -10.031 1.00 0.99 H new ATOM 0 HG LEU A 136 7.107 16.436 -12.727 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.300 17.051 -11.747 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.123 18.372 -11.558 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.518 17.327 -10.172 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.529 14.675 -11.712 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.749 14.954 -10.137 1.00 1.75 H new ATOM 0 HD23 LEU A 136 6.802 14.304 -11.496 1.00 1.75 H new ATOM 735 N MET A 137 3.086 18.258 -11.313 1.00 0.67 N ATOM 736 CA MET A 137 1.825 18.715 -10.661 1.00 0.71 C ATOM 737 C MET A 137 0.661 17.798 -11.050 1.00 0.68 C ATOM 738 O MET A 137 -0.339 17.726 -10.364 1.00 0.70 O ATOM 739 CB MET A 137 1.595 20.128 -11.195 1.00 0.82 C ATOM 740 CG MET A 137 0.908 20.974 -10.121 1.00 0.99 C ATOM 741 SD MET A 137 2.013 21.161 -8.701 1.00 0.94 S ATOM 742 CE MET A 137 0.741 21.574 -7.482 1.00 0.53 C ATOM 0 H MET A 137 3.595 18.977 -11.827 1.00 0.67 H new ATOM 0 HA MET A 137 1.893 18.694 -9.573 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.546 20.581 -11.477 1.00 0.82 H new ATOM 0 HB3 MET A 137 0.980 20.093 -12.094 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.649 21.953 -10.525 1.00 0.99 H new ATOM 0 HG3 MET A 137 -0.023 20.500 -9.811 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.216 21.873 -6.548 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.130 22.395 -7.858 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.110 20.703 -7.306 1.00 0.53 H new ATOM 752 N LYS A 138 0.782 17.098 -12.144 1.00 0.76 N ATOM 753 CA LYS A 138 -0.320 16.189 -12.573 1.00 0.82 C ATOM 754 C LYS A 138 -0.345 14.933 -11.698 1.00 0.72 C ATOM 755 O LYS A 138 -1.387 14.494 -11.254 1.00 0.84 O ATOM 756 CB LYS A 138 0.008 15.826 -14.022 1.00 0.99 C ATOM 757 CG LYS A 138 -1.111 16.320 -14.941 1.00 1.57 C ATOM 758 CD LYS A 138 -0.662 17.598 -15.652 1.00 2.09 C ATOM 759 CE LYS A 138 -0.991 18.810 -14.778 1.00 2.74 C ATOM 760 NZ LYS A 138 -1.877 19.661 -15.620 1.00 3.43 N ATOM 0 H LYS A 138 1.595 17.115 -12.760 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.300 16.658 -12.481 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.957 16.275 -14.314 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.123 14.747 -14.120 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -1.360 15.552 -15.674 1.00 1.57 H new ATOM 0 HG3 LYS A 138 -2.014 16.512 -14.361 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.409 17.559 -15.851 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -1.162 17.685 -16.617 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -1.491 18.509 -13.857 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -0.087 19.346 -14.489 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -2.424 20.302 -15.011 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -1.298 20.219 -16.279 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -2.529 19.056 -16.159 1.00 3.43 H new ATOM 774 N ASP A 139 0.796 14.350 -11.450 1.00 0.75 N ATOM 775 CA ASP A 139 0.840 13.121 -10.606 1.00 0.78 C ATOM 776 C ASP A 139 0.475 13.456 -9.157 1.00 0.70 C ATOM 777 O ASP A 139 -0.069 12.640 -8.440 1.00 0.81 O ATOM 778 CB ASP A 139 2.286 12.632 -10.697 1.00 0.97 C ATOM 779 CG ASP A 139 2.428 11.674 -11.881 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.455 11.500 -12.596 1.00 1.69 O ATOM 781 OD2 ASP A 139 3.506 11.130 -12.052 1.00 1.66 O ATOM 0 H ASP A 139 1.700 14.671 -11.795 1.00 0.75 H new ATOM 0 HA ASP A 139 0.131 12.364 -10.942 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.961 13.480 -10.819 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.570 12.129 -9.773 1.00 0.97 H new ATOM 786 N GLY A 140 0.772 14.649 -8.720 1.00 0.64 N ATOM 787 CA GLY A 140 0.443 15.033 -7.318 1.00 0.62 C ATOM 788 C GLY A 140 -0.817 15.900 -7.303 1.00 0.57 C ATOM 789 O GLY A 140 -1.480 16.030 -6.293 1.00 0.65 O ATOM 0 H GLY A 140 1.228 15.374 -9.273 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.289 14.140 -6.713 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.276 15.578 -6.875 1.00 0.62 H new ATOM 793 N ASP A 141 -1.153 16.495 -8.414 1.00 0.56 N ATOM 794 CA ASP A 141 -2.371 17.353 -8.458 1.00 0.56 C ATOM 795 C ASP A 141 -3.138 17.121 -9.761 1.00 0.58 C ATOM 796 O ASP A 141 -3.115 17.937 -10.661 1.00 0.64 O ATOM 797 CB ASP A 141 -1.847 18.787 -8.394 1.00 0.60 C ATOM 798 CG ASP A 141 -2.729 19.611 -7.455 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.543 19.017 -6.767 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.576 20.821 -7.440 1.00 1.23 O ATOM 0 H ASP A 141 -0.638 16.425 -9.292 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.059 17.132 -7.642 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.816 18.793 -8.040 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.845 19.230 -9.390 1.00 0.60 H new ATOM 805 N LYS A 142 -3.823 16.015 -9.868 1.00 0.62 N ATOM 806 CA LYS A 142 -4.595 15.736 -11.111 1.00 0.70 C ATOM 807 C LYS A 142 -5.776 16.704 -11.218 1.00 0.79 C ATOM 808 O LYS A 142 -6.366 16.869 -12.268 1.00 0.92 O ATOM 809 CB LYS A 142 -5.089 14.296 -10.959 1.00 0.79 C ATOM 810 CG LYS A 142 -4.560 13.451 -12.121 1.00 0.88 C ATOM 811 CD LYS A 142 -4.829 11.971 -11.842 1.00 1.37 C ATOM 812 CE LYS A 142 -3.513 11.269 -11.503 1.00 1.79 C ATOM 813 NZ LYS A 142 -3.908 10.087 -10.688 1.00 2.44 N ATOM 0 H LYS A 142 -3.881 15.294 -9.149 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.994 15.863 -12.012 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.749 13.882 -10.010 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.179 14.273 -10.945 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -5.043 13.750 -13.051 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.491 13.619 -12.249 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -5.532 11.868 -11.016 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.289 11.504 -12.712 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.982 10.967 -12.406 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.846 11.927 -10.947 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -3.222 9.319 -10.835 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.924 10.349 -9.682 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -4.854 9.766 -10.977 1.00 2.44 H new ATOM 827 N ASN A 143 -6.123 17.347 -10.136 1.00 0.80 N ATOM 828 CA ASN A 143 -7.262 18.309 -10.170 1.00 0.95 C ATOM 829 C ASN A 143 -6.763 19.699 -10.568 1.00 0.92 C ATOM 830 O ASN A 143 -7.538 20.587 -10.865 1.00 1.08 O ATOM 831 CB ASN A 143 -7.810 18.327 -8.743 1.00 1.07 C ATOM 832 CG ASN A 143 -7.921 16.895 -8.217 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.375 16.012 -8.917 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.521 16.626 -7.005 1.00 1.70 N ATOM 0 H ASN A 143 -5.667 17.248 -9.229 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.024 18.022 -10.895 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.154 18.912 -8.098 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.788 18.809 -8.724 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.589 15.674 -6.645 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.140 17.367 -6.417 1.00 1.70 H new ATOM 841 N ASN A 144 -5.473 19.894 -10.577 1.00 0.86 N ATOM 842 CA ASN A 144 -4.926 21.227 -10.957 1.00 0.93 C ATOM 843 C ASN A 144 -5.514 22.318 -10.057 1.00 1.03 C ATOM 844 O ASN A 144 -5.498 23.486 -10.391 1.00 1.71 O ATOM 845 CB ASN A 144 -5.366 21.431 -12.406 1.00 1.08 C ATOM 846 CG ASN A 144 -4.206 22.009 -13.219 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.409 21.275 -13.770 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.077 23.304 -13.320 1.00 1.97 N ATOM 0 H ASN A 144 -4.775 19.189 -10.338 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.843 21.278 -10.847 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.687 20.482 -12.836 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.222 22.105 -12.445 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.308 23.699 -13.861 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -4.745 23.921 -12.858 1.00 1.97 H new ATOM 855 N ASP A 145 -6.033 21.948 -8.917 1.00 0.88 N ATOM 856 CA ASP A 145 -6.619 22.969 -8.001 1.00 0.92 C ATOM 857 C ASP A 145 -5.550 23.986 -7.593 1.00 0.91 C ATOM 858 O ASP A 145 -5.853 25.077 -7.151 1.00 1.07 O ATOM 859 CB ASP A 145 -7.101 22.183 -6.781 1.00 0.93 C ATOM 860 CG ASP A 145 -8.056 21.076 -7.230 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.762 21.289 -8.202 1.00 1.89 O ATOM 862 OD2 ASP A 145 -8.066 20.035 -6.594 1.00 2.06 O ATOM 0 H ASP A 145 -6.077 20.986 -8.581 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.429 23.527 -8.471 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.250 21.752 -6.254 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.604 22.850 -6.081 1.00 0.93 H new ATOM 867 N GLY A 146 -4.301 23.636 -7.736 1.00 0.84 N ATOM 868 CA GLY A 146 -3.214 24.581 -7.356 1.00 0.92 C ATOM 869 C GLY A 146 -2.737 24.267 -5.937 1.00 0.66 C ATOM 870 O GLY A 146 -2.160 25.100 -5.266 1.00 0.74 O ATOM 0 H GLY A 146 -3.987 22.736 -8.100 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.383 24.497 -8.057 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.575 25.608 -7.411 1.00 0.92 H new ATOM 874 N ARG A 147 -2.972 23.069 -5.474 1.00 0.56 N ATOM 875 CA ARG A 147 -2.530 22.701 -4.098 1.00 0.54 C ATOM 876 C ARG A 147 -2.397 21.179 -3.975 1.00 0.46 C ATOM 877 O ARG A 147 -3.282 20.437 -4.350 1.00 0.45 O ATOM 878 CB ARG A 147 -3.633 23.220 -3.175 1.00 0.77 C ATOM 879 CG ARG A 147 -3.004 23.958 -1.991 1.00 1.39 C ATOM 880 CD ARG A 147 -4.106 24.605 -1.148 1.00 1.79 C ATOM 881 NE ARG A 147 -4.623 25.726 -1.982 1.00 2.55 N ATOM 882 CZ ARG A 147 -5.288 26.705 -1.426 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.495 26.710 -0.137 1.00 3.10 N ATOM 884 NH2 ARG A 147 -5.743 27.682 -2.161 1.00 3.37 N ATOM 0 H ARG A 147 -3.451 22.330 -5.989 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.558 23.126 -3.849 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.296 23.889 -3.724 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.243 22.390 -2.817 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.426 23.263 -1.382 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.312 24.720 -2.350 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.895 23.890 -0.915 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.714 24.968 -0.198 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.458 25.730 -2.989 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.138 25.949 0.440 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -6.014 27.475 0.293 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -5.580 27.681 -3.168 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -6.262 28.446 -1.729 1.00 3.37 H new ATOM 898 N ILE A 148 -1.295 20.710 -3.454 1.00 0.49 N ATOM 899 CA ILE A 148 -1.106 19.238 -3.310 1.00 0.44 C ATOM 900 C ILE A 148 -1.303 18.817 -1.851 1.00 0.46 C ATOM 901 O ILE A 148 -0.501 19.128 -0.992 1.00 0.63 O ATOM 902 CB ILE A 148 0.336 18.980 -3.748 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.556 19.556 -5.148 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.604 17.474 -3.772 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.972 19.223 -5.619 1.00 0.63 C ATOM 0 H ILE A 148 -0.518 21.282 -3.122 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.823 18.671 -3.904 1.00 0.44 H new ATOM 0 HB ILE A 148 1.017 19.459 -3.045 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.176 19.143 -5.842 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.410 20.636 -5.136 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.632 17.292 -4.084 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.449 17.061 -2.775 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.078 16.994 -4.473 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.130 19.633 -6.617 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.696 19.657 -4.930 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.101 18.141 -5.647 1.00 0.63 H new ATOM 917 N ASP A 149 -2.362 18.111 -1.563 1.00 0.48 N ATOM 918 CA ASP A 149 -2.604 17.670 -0.160 1.00 0.53 C ATOM 919 C ASP A 149 -1.925 16.320 0.092 1.00 0.53 C ATOM 920 O ASP A 149 -1.168 15.835 -0.726 1.00 0.63 O ATOM 921 CB ASP A 149 -4.123 17.542 -0.039 1.00 0.58 C ATOM 922 CG ASP A 149 -4.593 16.290 -0.782 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.268 15.203 -0.334 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.270 16.440 -1.786 1.00 1.65 O ATOM 0 H ASP A 149 -3.070 17.821 -2.238 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.198 18.370 0.570 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.411 17.484 1.011 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.607 18.426 -0.454 1.00 0.58 H new ATOM 929 N TYR A 150 -2.188 15.711 1.215 1.00 0.58 N ATOM 930 CA TYR A 150 -1.554 14.393 1.515 1.00 0.60 C ATOM 931 C TYR A 150 -2.098 13.315 0.572 1.00 0.59 C ATOM 932 O TYR A 150 -1.372 12.742 -0.216 1.00 0.63 O ATOM 933 CB TYR A 150 -1.944 14.085 2.961 1.00 0.73 C ATOM 934 CG TYR A 150 -1.460 12.702 3.329 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.235 12.235 2.836 1.00 1.22 C ATOM 936 CD2 TYR A 150 -2.235 11.888 4.164 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.213 10.953 3.177 1.00 1.56 C ATOM 938 CE2 TYR A 150 -1.786 10.606 4.504 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.562 10.139 4.011 1.00 1.48 C ATOM 940 OH TYR A 150 -0.120 8.876 4.347 1.00 1.96 O ATOM 0 H TYR A 150 -2.813 16.067 1.938 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.473 14.416 1.380 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.508 14.825 3.632 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.026 14.147 3.078 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.364 12.863 2.193 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -3.179 12.249 4.546 1.00 1.15 H new ATOM 0 HE1 TYR A 150 1.157 10.592 2.796 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -2.384 9.977 5.147 1.00 1.43 H new ATOM 0 HH TYR A 150 -0.776 8.445 4.933 1.00 1.96 H new ATOM 950 N ASP A 151 -3.369 13.033 0.651 1.00 0.64 N ATOM 951 CA ASP A 151 -3.962 11.990 -0.237 1.00 0.70 C ATOM 952 C ASP A 151 -3.452 12.159 -1.671 1.00 0.63 C ATOM 953 O ASP A 151 -3.169 11.196 -2.356 1.00 0.77 O ATOM 954 CB ASP A 151 -5.470 12.231 -0.172 1.00 0.79 C ATOM 955 CG ASP A 151 -6.211 10.918 -0.435 1.00 1.24 C ATOM 956 OD1 ASP A 151 -5.572 9.880 -0.385 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.405 10.974 -0.682 1.00 1.90 O ATOM 0 H ASP A 151 -4.024 13.479 1.292 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.694 10.981 0.075 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.744 12.625 0.807 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.761 12.979 -0.910 1.00 0.79 H new ATOM 962 N GLU A 152 -3.337 13.375 -2.132 1.00 0.54 N ATOM 963 CA GLU A 152 -2.849 13.602 -3.523 1.00 0.56 C ATOM 964 C GLU A 152 -1.357 13.274 -3.623 1.00 0.52 C ATOM 965 O GLU A 152 -0.857 12.924 -4.674 1.00 0.65 O ATOM 966 CB GLU A 152 -3.089 15.088 -3.788 1.00 0.60 C ATOM 967 CG GLU A 152 -4.296 15.252 -4.712 1.00 0.77 C ATOM 968 CD GLU A 152 -4.520 16.737 -5.000 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.179 17.543 -4.150 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.030 17.044 -6.065 1.00 1.40 O ATOM 0 H GLU A 152 -3.560 14.220 -1.606 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.361 12.969 -4.248 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.263 15.613 -2.848 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.205 15.535 -4.244 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.130 14.711 -5.644 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.184 14.823 -4.248 1.00 0.77 H new ATOM 977 N PHE A 153 -0.641 13.385 -2.538 1.00 0.46 N ATOM 978 CA PHE A 153 0.818 13.081 -2.574 1.00 0.46 C ATOM 979 C PHE A 153 1.039 11.577 -2.764 1.00 0.50 C ATOM 980 O PHE A 153 1.894 11.156 -3.517 1.00 0.64 O ATOM 981 CB PHE A 153 1.349 13.534 -1.213 1.00 0.49 C ATOM 982 CG PHE A 153 2.840 13.305 -1.154 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.653 13.711 -2.219 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.409 12.685 -0.035 1.00 0.52 C ATOM 985 CE1 PHE A 153 5.035 13.495 -2.166 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.791 12.470 0.019 1.00 0.61 C ATOM 987 CZ PHE A 153 5.604 12.875 -1.047 1.00 0.68 C ATOM 0 H PHE A 153 -1.002 13.673 -1.629 1.00 0.46 H new ATOM 0 HA PHE A 153 1.326 13.583 -3.397 1.00 0.46 H new ATOM 0 HB2 PHE A 153 1.126 14.589 -1.056 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.853 12.981 -0.415 1.00 0.49 H new ATOM 0 HD1 PHE A 153 3.214 14.191 -3.081 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.781 12.373 0.787 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.662 13.807 -2.988 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.230 11.992 0.882 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.670 12.709 -1.006 1.00 0.68 H new ATOM 997 N LEU A 154 0.273 10.765 -2.088 1.00 0.53 N ATOM 998 CA LEU A 154 0.440 9.290 -2.231 1.00 0.62 C ATOM 999 C LEU A 154 0.628 8.916 -3.704 1.00 0.65 C ATOM 1000 O LEU A 154 1.532 8.185 -4.058 1.00 0.83 O ATOM 1001 CB LEU A 154 -0.859 8.692 -1.687 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.551 7.833 -0.460 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.367 6.678 -0.863 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.145 8.689 0.600 1.00 1.20 C ATOM 0 H LEU A 154 -0.461 11.058 -1.443 1.00 0.53 H new ATOM 0 HA LEU A 154 1.316 8.920 -1.698 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.555 9.488 -1.421 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.343 8.088 -2.455 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.481 7.434 -0.054 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.587 6.066 0.012 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.127 6.067 -1.619 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.296 7.077 -1.269 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.365 8.077 1.475 1.00 1.20 H new ATOM 0 HD22 LEU A 154 1.074 9.087 0.193 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -0.508 9.513 0.888 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.219 9.411 -4.564 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.089 9.082 -6.013 1.00 0.81 C ATOM 1018 C GLU A 155 1.182 9.713 -6.590 1.00 0.76 C ATOM 1019 O GLU A 155 1.731 9.243 -7.566 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.332 9.684 -6.669 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.350 8.576 -6.949 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.767 9.143 -6.840 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.255 9.659 -7.831 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -4.339 9.050 -5.766 1.00 2.57 O ATOM 0 H GLU A 155 -0.995 10.029 -4.327 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.015 8.008 -6.186 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -1.771 10.439 -6.017 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.059 10.185 -7.598 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.188 8.162 -7.944 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -2.218 7.759 -6.239 1.00 1.41 H new ATOM 1031 N PHE A 156 1.651 10.775 -5.995 1.00 0.66 N ATOM 1032 CA PHE A 156 2.885 11.436 -6.511 1.00 0.77 C ATOM 1033 C PHE A 156 4.013 10.411 -6.668 1.00 0.71 C ATOM 1034 O PHE A 156 4.776 10.455 -7.612 1.00 0.88 O ATOM 1035 CB PHE A 156 3.252 12.475 -5.450 1.00 0.84 C ATOM 1036 CG PHE A 156 4.408 13.311 -5.944 1.00 1.01 C ATOM 1037 CD1 PHE A 156 5.717 12.827 -5.837 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.170 14.570 -6.508 1.00 1.49 C ATOM 1039 CE1 PHE A 156 6.789 13.602 -6.294 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.242 15.345 -6.966 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.552 14.861 -6.859 1.00 1.53 C ATOM 0 H PHE A 156 1.234 11.214 -5.174 1.00 0.66 H new ATOM 0 HA PHE A 156 2.729 11.888 -7.490 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.393 13.112 -5.237 1.00 0.84 H new ATOM 0 HB3 PHE A 156 3.520 11.979 -4.517 1.00 0.84 H new ATOM 0 HD1 PHE A 156 5.900 11.856 -5.402 1.00 1.09 H new ATOM 0 HD2 PHE A 156 3.160 14.943 -6.590 1.00 1.49 H new ATOM 0 HE1 PHE A 156 7.799 13.229 -6.211 1.00 1.31 H new ATOM 0 HE2 PHE A 156 5.059 16.316 -7.402 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.379 15.459 -7.212 1.00 1.53 H new ATOM 1051 N MET A 157 4.125 9.492 -5.749 1.00 0.61 N ATOM 1052 CA MET A 157 5.206 8.469 -5.845 1.00 0.69 C ATOM 1053 C MET A 157 4.923 7.500 -6.997 1.00 0.83 C ATOM 1054 O MET A 157 5.765 7.259 -7.839 1.00 1.17 O ATOM 1055 CB MET A 157 5.175 7.733 -4.506 1.00 0.84 C ATOM 1056 CG MET A 157 5.113 8.751 -3.366 1.00 0.92 C ATOM 1057 SD MET A 157 6.439 8.414 -2.181 1.00 1.56 S ATOM 1058 CE MET A 157 7.239 10.035 -2.266 1.00 0.90 C ATOM 0 H MET A 157 3.515 9.405 -4.936 1.00 0.61 H new ATOM 0 HA MET A 157 6.180 8.917 -6.042 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.311 7.070 -4.463 1.00 0.84 H new ATOM 0 HB3 MET A 157 6.062 7.108 -4.402 1.00 0.84 H new ATOM 0 HG2 MET A 157 5.213 9.762 -3.761 1.00 0.92 H new ATOM 0 HG3 MET A 157 4.144 8.697 -2.869 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.168 9.953 -2.830 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.575 10.743 -2.762 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.456 10.387 -1.257 1.00 0.90 H new ATOM 1068 N LYS A 158 3.745 6.940 -7.038 1.00 0.86 N ATOM 1069 CA LYS A 158 3.412 5.985 -8.134 1.00 1.07 C ATOM 1070 C LYS A 158 4.336 4.766 -8.069 1.00 1.36 C ATOM 1071 O LYS A 158 4.466 4.022 -9.021 1.00 1.73 O ATOM 1072 CB LYS A 158 3.645 6.767 -9.427 1.00 1.28 C ATOM 1073 CG LYS A 158 2.990 6.027 -10.596 1.00 1.66 C ATOM 1074 CD LYS A 158 1.577 6.569 -10.816 1.00 2.24 C ATOM 1075 CE LYS A 158 0.576 5.721 -10.027 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.763 6.235 -10.429 1.00 3.52 N ATOM 0 H LYS A 158 2.999 7.102 -6.361 1.00 0.86 H new ATOM 0 HA LYS A 158 2.390 5.614 -8.063 1.00 1.07 H new ATOM 0 HB2 LYS A 158 3.228 7.770 -9.338 1.00 1.28 H new ATOM 0 HB3 LYS A 158 4.714 6.881 -9.608 1.00 1.28 H new ATOM 0 HG2 LYS A 158 3.585 6.155 -11.500 1.00 1.66 H new ATOM 0 HG3 LYS A 158 2.952 4.958 -10.388 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.521 7.609 -10.495 1.00 2.24 H new ATOM 0 HD3 LYS A 158 1.330 6.549 -11.877 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.681 4.663 -10.265 1.00 2.85 H new ATOM 0 HE3 LYS A 158 0.732 5.823 -8.953 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.504 5.703 -9.929 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.836 7.243 -10.184 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.886 6.119 -11.455 1.00 3.52 H new ATOM 1090 N GLY A 159 4.979 4.556 -6.953 1.00 1.73 N ATOM 1091 CA GLY A 159 5.894 3.387 -6.828 1.00 2.35 C ATOM 1092 C GLY A 159 7.313 3.878 -6.539 1.00 2.13 C ATOM 1093 O GLY A 159 7.846 3.670 -5.468 1.00 2.59 O ATOM 0 H GLY A 159 4.910 5.144 -6.122 1.00 1.73 H new ATOM 0 HA2 GLY A 159 5.555 2.730 -6.027 1.00 2.35 H new ATOM 0 HA3 GLY A 159 5.881 2.801 -7.747 1.00 2.35 H new ATOM 1097 N VAL A 160 7.929 4.532 -7.486 1.00 1.87 N ATOM 1098 CA VAL A 160 9.314 5.038 -7.264 1.00 1.87 C ATOM 1099 C VAL A 160 10.234 3.892 -6.832 1.00 2.39 C ATOM 1100 O VAL A 160 10.577 3.762 -5.674 1.00 3.11 O ATOM 1101 CB VAL A 160 9.181 6.071 -6.145 1.00 1.68 C ATOM 1102 CG1 VAL A 160 10.529 6.759 -5.922 1.00 1.89 C ATOM 1103 CG2 VAL A 160 8.135 7.115 -6.541 1.00 1.76 C ATOM 0 H VAL A 160 7.533 4.738 -8.403 1.00 1.87 H new ATOM 0 HA VAL A 160 9.747 5.468 -8.167 1.00 1.87 H new ATOM 0 HB VAL A 160 8.871 5.574 -5.225 1.00 1.68 H new ATOM 0 HG11 VAL A 160 10.434 7.496 -5.124 1.00 1.89 H new ATOM 0 HG12 VAL A 160 11.275 6.015 -5.642 1.00 1.89 H new ATOM 0 HG13 VAL A 160 10.840 7.257 -6.840 1.00 1.89 H new ATOM 0 HG21 VAL A 160 8.038 7.853 -5.745 1.00 1.76 H new ATOM 0 HG22 VAL A 160 8.446 7.612 -7.460 1.00 1.76 H new ATOM 0 HG23 VAL A 160 7.174 6.625 -6.701 1.00 1.76 H new ATOM 1113 N GLU A 161 10.636 3.062 -7.755 1.00 2.52 N ATOM 1114 CA GLU A 161 11.534 1.925 -7.396 1.00 3.28 C ATOM 1115 C GLU A 161 11.019 1.221 -6.138 1.00 3.90 C ATOM 1116 O GLU A 161 10.208 0.320 -6.278 1.00 4.34 O ATOM 1117 CB GLU A 161 12.898 2.564 -7.132 1.00 3.49 C ATOM 1118 CG GLU A 161 13.944 1.467 -6.922 1.00 4.11 C ATOM 1119 CD GLU A 161 14.349 1.424 -5.448 1.00 4.29 C ATOM 1120 OE1 GLU A 161 14.147 2.417 -4.770 1.00 4.60 O ATOM 1121 OE2 GLU A 161 14.854 0.398 -5.023 1.00 4.56 O ATOM 1122 OXT GLU A 161 11.445 1.593 -5.058 1.00 4.37 O ATOM 0 H GLU A 161 10.383 3.121 -8.741 1.00 2.52 H new ATOM 0 HA GLU A 161 11.582 1.173 -8.184 1.00 3.28 H new ATOM 0 HB2 GLU A 161 13.183 3.197 -7.972 1.00 3.49 H new ATOM 0 HB3 GLU A 161 12.847 3.205 -6.252 1.00 3.49 H new ATOM 0 HG2 GLU A 161 13.540 0.502 -7.228 1.00 4.11 H new ATOM 0 HG3 GLU A 161 14.818 1.659 -7.545 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 4.538 24.118 2.242 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.678 19.407 -5.283 1.00 0.75 CA HETATM 1132 O1 KDH A 1 7.041 10.965 -10.543 1.00 2.83 O HETATM 1133 C3 KDH A 1 8.043 10.385 -9.826 1.00 2.40 C HETATM 1134 C6 KDH A 1 8.825 9.343 -10.435 1.00 3.09 C HETATM 1135 O7 KDH A 1 8.546 8.946 -11.714 1.00 4.04 O HETATM 1136 C9 KDH A 1 9.905 8.706 -9.713 1.00 2.99 C HETATM 1137 O10 KDH A 1 10.611 7.709 -10.320 1.00 3.91 O HETATM 1138 C12 KDH A 1 10.216 9.132 -8.369 1.00 2.07 C HETATM 1139 C14 KDH A 1 9.415 10.162 -7.738 1.00 1.26 C HETATM 1140 C15 KDH A 1 9.725 10.515 -6.408 1.00 0.94 C HETATM 1141 C20 KDH A 1 11.363 9.935 -4.577 1.00 2.17 C HETATM 1142 C21 KDH A 1 12.089 8.932 -3.837 1.00 3.11 C HETATM 1143 C24 KDH A 1 12.958 9.335 -2.765 1.00 3.89 C HETATM 1144 C26 KDH A 1 13.031 10.709 -2.349 1.00 3.84 C HETATM 1145 C29 KDH A 1 12.260 11.712 -3.054 1.00 3.01 C HETATM 1146 C31 KDH A 1 11.378 11.327 -4.131 1.00 2.10 C HETATM 1147 C33 KDH A 1 10.191 11.995 -6.261 1.00 0.94 C HETATM 1148 C36 KDH A 1 11.042 12.813 -8.334 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.871 12.388 -9.378 1.00 1.49 C HETATM 1150 C39 KDH A 1 11.789 13.058 -10.664 1.00 1.87 C HETATM 1151 C41 KDH A 1 12.793 11.293 -9.180 1.00 2.05 C HETATM 1152 C01 KDH A 1 10.513 12.279 -4.762 1.00 1.46 C HETATM 1153 O01 KDH A 1 10.660 9.570 -5.722 1.00 1.58 O HETATM 1154 O02 KDH A 1 13.726 8.402 -2.130 1.00 4.80 O HETATM 1155 O03 KDH A 1 12.369 13.022 -2.696 1.00 3.24 O HETATM 1156 C4 KDH A 1 8.329 10.798 -8.473 1.00 1.50 C HETATM 1157 O35 KDH A 1 11.333 12.289 -7.102 1.00 1.29 O HETATM 1158 O37 KDH A 1 10.119 13.610 -8.545 1.00 2.52 O HETATM 1159 C43 KDH A 1 13.623 10.850 -10.271 1.00 2.26 C HETATM 1160 O44 KDH A 1 14.513 9.820 -10.120 1.00 3.22 O HETATM 1161 C46 KDH A 1 13.526 11.498 -11.556 1.00 2.00 C HETATM 1162 O47 KDH A 1 14.299 11.071 -12.594 1.00 2.49 O HETATM 1163 C49 KDH A 1 12.610 12.604 -11.758 1.00 2.11 C HETATM 1164 O50 KDH A 1 12.548 13.191 -12.991 1.00 3.03 O HETATM 0 HO50 KDH A 1 13.365 12.986 -13.492 1.00 3.03 H new HETATM 0 HO47 KDH A 1 14.870 11.806 -12.900 1.00 2.49 H new HETATM 0 HO44 KDH A 1 15.055 9.735 -10.932 1.00 3.22 H new HETATM 0 HO10 KDH A 1 11.304 7.381 -9.710 1.00 3.91 H new HETATM 0 HO03 KDH A 1 11.492 13.359 -2.417 1.00 3.24 H new HETATM 0 HO02 KDH A 1 13.512 8.398 -1.174 1.00 4.80 H new HETATM 0 H01A KDH A 1 9.576 12.317 -4.207 1.00 1.46 H new HETATM 0 HO7 KDH A 1 8.909 8.048 -11.865 1.00 4.04 H new HETATM 0 HO1 KDH A 1 6.954 10.513 -11.408 1.00 2.83 H new HETATM 0 H41 KDH A 1 12.860 10.804 -8.208 1.00 2.05 H new HETATM 0 H4 KDH A 1 7.735 11.582 -8.003 1.00 1.50 H new HETATM 0 H39 KDH A 1 11.110 13.900 -10.801 1.00 1.87 H new HETATM 0 H33 KDH A 1 9.385 12.649 -6.593 1.00 0.94 H new HETATM 0 H26 KDH A 1 13.663 10.994 -1.508 1.00 3.84 H new HETATM 0 H21 KDH A 1 11.980 7.877 -4.089 1.00 3.11 H new HETATM 0 H15 KDH A 1 8.775 10.424 -5.882 1.00 0.94 H new HETATM 0 H12 KDH A 1 11.050 8.681 -7.831 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.969 13.266 -4.686 1.00 1.46 H new