USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.494 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -146:sc= -0.0317 (180deg=-0.273) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= -0.0134 (180deg=-0.0134) USER MOD Single : A 107 ASN :FLIP amide:sc= -3.44! C(o=-5.7!,f=-3.4!) 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 143:sc= -4.98! (180deg=-8.05!) USER MOD Single : A 122 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.4!) USER MOD Single : A 124 THR OG1 : rot -160:sc= -0.114 USER MOD Single : A 127 THR OG1 : rot 63:sc= 1.17 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 137 MET CE :methyl -127:sc= -6.39! (180deg=-11.3!) 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= -3.74! C(o=-3.7!,f=-5!) USER MOD Single : A 144 ASN :FLIP amide:sc= -5.46! C(o=-6.1!,f=-5.5!) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.657 5.228 0.091 1.00 1.27 N ATOM 28 CA LYS A 92 7.231 3.800 0.163 1.00 1.47 C ATOM 29 C LYS A 92 5.743 3.714 0.511 1.00 1.40 C ATOM 30 O LYS A 92 4.924 3.343 -0.306 1.00 1.56 O ATOM 31 CB LYS A 92 8.079 3.188 1.279 1.00 1.61 C ATOM 32 CG LYS A 92 8.910 2.034 0.717 1.00 1.94 C ATOM 33 CD LYS A 92 7.979 0.963 0.146 1.00 2.31 C ATOM 34 CE LYS A 92 8.806 -0.241 -0.311 1.00 2.59 C ATOM 35 NZ LYS A 92 8.684 -1.236 0.793 1.00 3.20 N ATOM 0 HA LYS A 92 7.369 3.278 -0.784 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.734 3.946 1.709 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.436 2.829 2.083 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.580 2.400 -0.061 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.535 1.607 1.501 1.00 1.94 H new ATOM 0 HD2 LYS A 92 7.255 0.655 0.901 1.00 2.31 H new ATOM 0 HD3 LYS A 92 7.412 1.368 -0.693 1.00 2.31 H new ATOM 0 HE2 LYS A 92 8.428 -0.645 -1.250 1.00 2.59 H new ATOM 0 HE3 LYS A 92 9.847 0.036 -0.479 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 9.226 -2.090 0.552 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 9.058 -0.826 1.673 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 7.683 -1.487 0.926 1.00 3.20 H new ATOM 49 N SER A 93 5.390 4.055 1.718 1.00 1.38 N ATOM 50 CA SER A 93 3.956 3.997 2.122 1.00 1.40 C ATOM 51 C SER A 93 3.587 5.244 2.929 1.00 1.20 C ATOM 52 O SER A 93 4.420 6.083 3.209 1.00 1.08 O ATOM 53 CB SER A 93 3.840 2.742 2.987 1.00 1.60 C ATOM 54 OG SER A 93 4.035 3.092 4.350 1.00 2.20 O ATOM 0 H SER A 93 6.032 4.372 2.444 1.00 1.38 H new ATOM 0 HA SER A 93 3.284 3.963 1.265 1.00 1.40 H new ATOM 0 HB2 SER A 93 2.860 2.284 2.854 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.581 2.004 2.679 1.00 1.60 H new ATOM 0 HG SER A 93 3.960 2.290 4.908 1.00 2.20 H new ATOM 60 N GLU A 94 2.345 5.371 3.307 1.00 1.26 N ATOM 61 CA GLU A 94 1.924 6.564 4.096 1.00 1.17 C ATOM 62 C GLU A 94 2.830 6.740 5.319 1.00 1.12 C ATOM 63 O GLU A 94 2.896 7.802 5.906 1.00 1.09 O ATOM 64 CB GLU A 94 0.489 6.263 4.531 1.00 1.33 C ATOM 65 CG GLU A 94 -0.453 6.437 3.337 1.00 1.28 C ATOM 66 CD GLU A 94 -1.279 5.163 3.148 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.685 4.099 3.086 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.491 5.273 3.068 1.00 2.09 O ATOM 0 H GLU A 94 1.603 4.701 3.104 1.00 1.26 H new ATOM 0 HA GLU A 94 1.991 7.486 3.518 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.420 5.246 4.917 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.195 6.931 5.340 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.112 7.289 3.502 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.121 6.648 2.435 1.00 1.28 H new ATOM 75 N GLU A 95 3.526 5.706 5.710 1.00 1.19 N ATOM 76 CA GLU A 95 4.423 5.815 6.896 1.00 1.23 C ATOM 77 C GLU A 95 5.709 6.563 6.530 1.00 1.03 C ATOM 78 O GLU A 95 6.291 7.249 7.346 1.00 1.01 O ATOM 79 CB GLU A 95 4.739 4.370 7.286 1.00 1.45 C ATOM 80 CG GLU A 95 5.524 4.354 8.600 1.00 1.90 C ATOM 81 CD GLU A 95 4.939 3.291 9.532 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.729 3.135 9.534 1.00 2.49 O ATOM 83 OE2 GLU A 95 5.710 2.652 10.228 1.00 2.66 O ATOM 0 H GLU A 95 3.512 4.791 5.259 1.00 1.19 H new ATOM 0 HA GLU A 95 3.958 6.369 7.711 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.815 3.802 7.395 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.318 3.888 6.498 1.00 1.45 H new ATOM 0 HG2 GLU A 95 6.575 4.143 8.405 1.00 1.90 H new ATOM 0 HG3 GLU A 95 5.478 5.334 9.075 1.00 1.90 H new ATOM 90 N GLU A 96 6.161 6.432 5.312 1.00 1.02 N ATOM 91 CA GLU A 96 7.413 7.132 4.903 1.00 0.94 C ATOM 92 C GLU A 96 7.087 8.460 4.212 1.00 0.79 C ATOM 93 O GLU A 96 7.885 9.376 4.204 1.00 0.82 O ATOM 94 CB GLU A 96 8.099 6.175 3.928 1.00 1.15 C ATOM 95 CG GLU A 96 9.591 6.091 4.258 1.00 1.62 C ATOM 96 CD GLU A 96 10.260 7.430 3.946 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.008 8.379 4.670 1.00 2.78 O ATOM 98 OE2 GLU A 96 11.013 7.485 2.987 1.00 2.18 O ATOM 0 H GLU A 96 5.719 5.872 4.584 1.00 1.02 H new ATOM 0 HA GLU A 96 8.046 7.372 5.757 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.645 5.186 3.993 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.961 6.522 2.904 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.728 5.841 5.310 1.00 1.62 H new ATOM 0 HG3 GLU A 96 10.058 5.295 3.678 1.00 1.62 H new ATOM 105 N LEU A 97 5.925 8.572 3.629 1.00 0.77 N ATOM 106 CA LEU A 97 5.559 9.843 2.939 1.00 0.71 C ATOM 107 C LEU A 97 5.039 10.868 3.951 1.00 0.67 C ATOM 108 O LEU A 97 4.989 12.051 3.680 1.00 0.75 O ATOM 109 CB LEU A 97 4.457 9.455 1.953 1.00 0.80 C ATOM 110 CG LEU A 97 4.933 8.284 1.092 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.891 7.984 0.015 1.00 1.40 C ATOM 112 CD2 LEU A 97 6.263 8.647 0.428 1.00 1.22 C ATOM 0 H LEU A 97 5.214 7.841 3.600 1.00 0.77 H new ATOM 0 HA LEU A 97 6.412 10.300 2.438 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.552 9.179 2.493 1.00 0.80 H new ATOM 0 HB3 LEU A 97 4.204 10.306 1.321 1.00 0.80 H new ATOM 0 HG LEU A 97 5.068 7.404 1.720 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.231 7.149 -0.598 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.944 7.725 0.488 1.00 1.40 H new ATOM 0 HD13 LEU A 97 3.754 8.864 -0.614 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.603 7.813 -0.186 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.128 9.528 -0.200 1.00 1.22 H new ATOM 0 HD23 LEU A 97 7.007 8.859 1.196 1.00 1.22 H new ATOM 124 N SER A 98 4.653 10.423 5.115 1.00 0.69 N ATOM 125 CA SER A 98 4.139 11.373 6.143 1.00 0.76 C ATOM 126 C SER A 98 5.258 12.309 6.606 1.00 0.72 C ATOM 127 O SER A 98 5.060 13.497 6.768 1.00 0.77 O ATOM 128 CB SER A 98 3.668 10.491 7.297 1.00 0.92 C ATOM 129 OG SER A 98 3.235 11.316 8.371 1.00 1.57 O ATOM 0 H SER A 98 4.671 9.444 5.399 1.00 0.69 H new ATOM 0 HA SER A 98 3.337 12.003 5.758 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.854 9.845 6.968 1.00 0.92 H new ATOM 0 HB3 SER A 98 4.478 9.840 7.627 1.00 0.92 H new ATOM 0 HG SER A 98 2.930 10.753 9.113 1.00 1.57 H new ATOM 135 N ASP A 99 6.433 11.783 6.822 1.00 0.80 N ATOM 136 CA ASP A 99 7.564 12.642 7.276 1.00 0.86 C ATOM 137 C ASP A 99 8.112 13.458 6.102 1.00 0.81 C ATOM 138 O ASP A 99 8.830 14.421 6.285 1.00 0.91 O ATOM 139 CB ASP A 99 8.624 11.667 7.789 1.00 1.02 C ATOM 140 CG ASP A 99 8.128 11.005 9.075 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.246 10.166 8.985 1.00 1.79 O ATOM 142 OD2 ASP A 99 8.638 11.348 10.129 1.00 1.83 O ATOM 0 H ASP A 99 6.659 10.795 6.704 1.00 0.80 H new ATOM 0 HA ASP A 99 7.258 13.353 8.044 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.832 10.909 7.034 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.559 12.195 7.976 1.00 1.02 H new ATOM 147 N LEU A 100 7.779 13.081 4.899 1.00 0.75 N ATOM 148 CA LEU A 100 8.282 13.837 3.717 1.00 0.76 C ATOM 149 C LEU A 100 7.328 14.986 3.380 1.00 0.68 C ATOM 150 O LEU A 100 7.736 16.120 3.231 1.00 0.79 O ATOM 151 CB LEU A 100 8.317 12.819 2.578 1.00 0.86 C ATOM 152 CG LEU A 100 9.566 11.947 2.708 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.687 11.041 1.482 1.00 1.41 C ATOM 154 CD2 LEU A 100 10.804 12.841 2.802 1.00 1.41 C ATOM 0 H LEU A 100 7.181 12.283 4.683 1.00 0.75 H new ATOM 0 HA LEU A 100 9.262 14.279 3.897 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.422 12.197 2.605 1.00 0.86 H new ATOM 0 HB3 LEU A 100 8.319 13.333 1.617 1.00 0.86 H new ATOM 0 HG LEU A 100 9.488 11.335 3.607 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.578 10.420 1.575 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.806 10.404 1.412 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.764 11.653 0.583 1.00 1.41 H new ATOM 0 HD21 LEU A 100 11.695 12.220 2.895 1.00 1.41 H new ATOM 0 HD22 LEU A 100 10.880 13.453 1.903 1.00 1.41 H new ATOM 0 HD23 LEU A 100 10.720 13.488 3.675 1.00 1.41 H new ATOM 166 N PHE A 101 6.060 14.701 3.260 1.00 0.60 N ATOM 167 CA PHE A 101 5.082 15.778 2.933 1.00 0.59 C ATOM 168 C PHE A 101 5.319 16.995 3.831 1.00 0.60 C ATOM 169 O PHE A 101 5.475 18.105 3.360 1.00 0.72 O ATOM 170 CB PHE A 101 3.709 15.166 3.209 1.00 0.61 C ATOM 171 CG PHE A 101 2.634 16.177 2.889 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.239 17.109 3.857 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.032 16.182 1.625 1.00 0.68 C ATOM 174 CE1 PHE A 101 1.242 18.046 3.560 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.035 17.120 1.329 1.00 0.73 C ATOM 176 CZ PHE A 101 0.640 18.051 2.296 1.00 0.69 C ATOM 0 H PHE A 101 5.659 13.770 3.374 1.00 0.60 H new ATOM 0 HA PHE A 101 5.174 16.120 1.902 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.571 14.269 2.605 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.638 14.862 4.253 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.703 17.105 4.832 1.00 0.86 H new ATOM 0 HD2 PHE A 101 2.336 15.463 0.879 1.00 0.68 H new ATOM 0 HE1 PHE A 101 0.937 18.765 4.306 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.571 17.125 0.354 1.00 0.73 H new ATOM 0 HZ PHE A 101 -0.129 18.774 2.067 1.00 0.69 H new ATOM 186 N ARG A 102 5.346 16.796 5.120 1.00 0.67 N ATOM 187 CA ARG A 102 5.571 17.942 6.047 1.00 0.76 C ATOM 188 C ARG A 102 6.967 18.533 5.829 1.00 0.68 C ATOM 189 O ARG A 102 7.264 19.627 6.267 1.00 0.78 O ATOM 190 CB ARG A 102 5.451 17.346 7.450 1.00 0.99 C ATOM 191 CG ARG A 102 6.603 16.371 7.700 1.00 1.30 C ATOM 192 CD ARG A 102 6.923 16.334 9.195 1.00 1.45 C ATOM 193 NE ARG A 102 7.787 17.525 9.431 1.00 2.12 N ATOM 194 CZ ARG A 102 8.996 17.566 8.938 1.00 2.71 C ATOM 195 NH1 ARG A 102 9.450 16.567 8.228 1.00 3.07 N ATOM 196 NH2 ARG A 102 9.752 18.608 9.152 1.00 3.37 N ATOM 0 H ARG A 102 5.222 15.890 5.572 1.00 0.67 H new ATOM 0 HA ARG A 102 4.857 18.750 5.886 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.467 18.141 8.195 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.497 16.830 7.555 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.333 15.375 7.350 1.00 1.30 H new ATOM 0 HG3 ARG A 102 7.483 16.679 7.136 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.014 16.380 9.795 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.438 15.412 9.466 1.00 1.45 H new ATOM 0 HE ARG A 102 7.434 18.310 9.979 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.860 15.753 8.058 1.00 3.07 H new ATOM 0 HH12 ARG A 102 10.394 16.602 7.844 1.00 3.07 H new ATOM 0 HH21 ARG A 102 9.399 19.390 9.704 1.00 3.37 H new ATOM 0 HH22 ARG A 102 10.696 18.641 8.767 1.00 3.37 H new ATOM 210 N MET A 103 7.826 17.817 5.157 1.00 0.71 N ATOM 211 CA MET A 103 9.202 18.337 4.913 1.00 0.75 C ATOM 212 C MET A 103 9.249 19.106 3.589 1.00 0.68 C ATOM 213 O MET A 103 9.930 20.105 3.465 1.00 0.83 O ATOM 214 CB MET A 103 10.089 17.094 4.845 1.00 0.93 C ATOM 215 CG MET A 103 11.516 17.505 4.481 1.00 1.27 C ATOM 216 SD MET A 103 12.673 16.799 5.681 1.00 1.82 S ATOM 217 CE MET A 103 13.152 15.351 4.707 1.00 2.43 C ATOM 0 H MET A 103 7.635 16.894 4.766 1.00 0.71 H new ATOM 0 HA MET A 103 9.528 19.027 5.692 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.082 16.576 5.804 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.700 16.397 4.103 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.761 17.158 3.477 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.602 18.592 4.473 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.340 14.510 5.374 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.348 15.094 4.017 1.00 2.43 H new ATOM 0 HE3 MET A 103 14.057 15.575 4.142 1.00 2.43 H new ATOM 227 N PHE A 104 8.530 18.651 2.600 1.00 0.68 N ATOM 228 CA PHE A 104 8.534 19.360 1.289 1.00 0.79 C ATOM 229 C PHE A 104 7.699 20.640 1.378 1.00 0.71 C ATOM 230 O PHE A 104 7.650 21.426 0.453 1.00 0.88 O ATOM 231 CB PHE A 104 7.903 18.376 0.302 1.00 0.94 C ATOM 232 CG PHE A 104 8.723 17.106 0.246 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.084 17.129 0.578 1.00 2.03 C ATOM 234 CD2 PHE A 104 8.118 15.903 -0.141 1.00 1.26 C ATOM 235 CE1 PHE A 104 10.838 15.951 0.524 1.00 2.65 C ATOM 236 CE2 PHE A 104 8.873 14.726 -0.196 1.00 1.86 C ATOM 237 CZ PHE A 104 10.232 14.749 0.137 1.00 2.56 C ATOM 0 H PHE A 104 7.940 17.820 2.643 1.00 0.68 H new ATOM 0 HA PHE A 104 9.538 19.655 0.983 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.882 18.147 0.606 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.847 18.827 -0.689 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.551 18.056 0.876 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.069 15.884 -0.397 1.00 1.26 H new ATOM 0 HE1 PHE A 104 11.887 15.969 0.781 1.00 2.65 H new ATOM 0 HE2 PHE A 104 8.406 13.799 -0.496 1.00 1.86 H new ATOM 0 HZ PHE A 104 10.814 13.840 0.096 1.00 2.56 H new ATOM 247 N ASP A 105 7.044 20.857 2.486 1.00 0.61 N ATOM 248 CA ASP A 105 6.216 22.088 2.633 1.00 0.60 C ATOM 249 C ASP A 105 7.090 23.258 3.092 1.00 0.56 C ATOM 250 O ASP A 105 7.069 23.648 4.243 1.00 0.63 O ATOM 251 CB ASP A 105 5.176 21.743 3.700 1.00 0.68 C ATOM 252 CG ASP A 105 4.054 22.783 3.676 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.294 23.873 3.184 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.974 22.471 4.150 1.00 1.45 O ATOM 0 H ASP A 105 7.046 20.236 3.295 1.00 0.61 H new ATOM 0 HA ASP A 105 5.750 22.388 1.694 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.768 20.749 3.517 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.644 21.720 4.684 1.00 0.68 H new ATOM 259 N LYS A 106 7.860 23.820 2.200 1.00 0.59 N ATOM 260 CA LYS A 106 8.737 24.962 2.584 1.00 0.66 C ATOM 261 C LYS A 106 7.903 26.233 2.768 1.00 0.55 C ATOM 262 O LYS A 106 8.374 27.226 3.286 1.00 0.63 O ATOM 263 CB LYS A 106 9.709 25.125 1.415 1.00 0.87 C ATOM 264 CG LYS A 106 11.086 25.525 1.948 1.00 1.21 C ATOM 265 CD LYS A 106 11.128 27.037 2.171 1.00 1.61 C ATOM 266 CE LYS A 106 11.984 27.691 1.085 1.00 1.77 C ATOM 267 NZ LYS A 106 11.007 28.318 0.152 1.00 2.14 N ATOM 0 H LYS A 106 7.919 23.537 1.222 1.00 0.59 H new ATOM 0 HA LYS A 106 9.256 24.784 3.526 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.781 24.192 0.855 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.340 25.884 0.725 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.291 25.003 2.883 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.861 25.229 1.241 1.00 1.21 H new ATOM 0 HD2 LYS A 106 10.118 27.447 2.148 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.540 27.258 3.156 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.659 28.435 1.509 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.603 26.954 0.573 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 11.519 28.788 -0.622 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 10.382 27.585 -0.241 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 10.437 29.020 0.666 1.00 2.14 H new ATOM 281 N ASN A 107 6.668 26.210 2.346 1.00 0.48 N ATOM 282 CA ASN A 107 5.807 27.418 2.497 1.00 0.50 C ATOM 283 C ASN A 107 4.976 27.318 3.780 1.00 0.58 C ATOM 284 O ASN A 107 4.535 28.311 4.324 1.00 0.70 O ATOM 285 CB ASN A 107 4.898 27.415 1.268 1.00 0.54 C ATOM 286 CG ASN A 107 5.753 27.451 -0.001 1.00 0.70 C ATOM 287 OD1 ASN A 107 6.235 26.337 -0.480 1.00 1.00 O flip ATOM 288 ND2 ASN A 107 5.983 28.504 -0.562 1.00 0.78 N flip ATOM 0 H ASN A 107 6.218 25.408 1.904 1.00 0.48 H new ATOM 0 HA ASN A 107 6.392 28.335 2.568 1.00 0.50 H new ATOM 0 HB2 ASN A 107 4.269 26.525 1.270 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.231 28.277 1.294 1.00 0.54 H new ATOM 0 HD21 ASN A 107 5.606 29.375 -0.187 1.00 0.78 H new ATOM 0 HD22 ASN A 107 6.553 28.517 -1.408 1.00 0.78 H new ATOM 295 N ALA A 108 4.760 26.127 4.266 1.00 0.65 N ATOM 296 CA ALA A 108 3.957 25.964 5.513 1.00 0.84 C ATOM 297 C ALA A 108 2.534 26.483 5.294 1.00 0.78 C ATOM 298 O ALA A 108 2.105 27.432 5.920 1.00 0.96 O ATOM 299 CB ALA A 108 4.680 26.808 6.564 1.00 1.03 C ATOM 0 H ALA A 108 5.104 25.259 3.855 1.00 0.65 H new ATOM 0 HA ALA A 108 3.872 24.921 5.817 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.149 26.740 7.513 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.698 26.438 6.690 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.709 27.848 6.238 1.00 1.03 H new ATOM 305 N ASP A 109 1.798 25.868 4.408 1.00 0.73 N ATOM 306 CA ASP A 109 0.404 26.328 4.149 1.00 0.74 C ATOM 307 C ASP A 109 -0.582 25.172 4.340 1.00 0.78 C ATOM 308 O ASP A 109 -1.778 25.371 4.421 1.00 0.96 O ATOM 309 CB ASP A 109 0.405 26.795 2.693 1.00 0.72 C ATOM 310 CG ASP A 109 0.860 25.648 1.789 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.058 25.482 1.633 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.002 24.955 1.267 1.00 1.95 O ATOM 0 H ASP A 109 2.102 25.068 3.853 1.00 0.73 H new ATOM 0 HA ASP A 109 0.099 27.120 4.832 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.593 27.125 2.405 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.070 27.651 2.575 1.00 0.72 H new ATOM 317 N GLY A 110 -0.091 23.965 4.413 1.00 0.76 N ATOM 318 CA GLY A 110 -1.002 22.800 4.598 1.00 0.85 C ATOM 319 C GLY A 110 -1.108 22.019 3.287 1.00 0.70 C ATOM 320 O GLY A 110 -1.692 20.955 3.233 1.00 0.73 O ATOM 0 H GLY A 110 0.901 23.735 4.353 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.625 22.152 5.389 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.989 23.143 4.910 1.00 0.85 H new ATOM 324 N TYR A 111 -0.545 22.536 2.229 1.00 0.68 N ATOM 325 CA TYR A 111 -0.612 21.820 0.924 1.00 0.60 C ATOM 326 C TYR A 111 0.657 22.086 0.110 1.00 0.58 C ATOM 327 O TYR A 111 1.508 22.859 0.503 1.00 0.83 O ATOM 328 CB TYR A 111 -1.837 22.399 0.213 1.00 0.68 C ATOM 329 CG TYR A 111 -3.051 22.256 1.100 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.824 21.090 1.046 1.00 0.78 C ATOM 331 CD2 TYR A 111 -3.404 23.290 1.975 1.00 0.71 C ATOM 332 CE1 TYR A 111 -4.950 20.958 1.867 1.00 0.83 C ATOM 333 CE2 TYR A 111 -4.530 23.158 2.797 1.00 0.78 C ATOM 334 CZ TYR A 111 -5.303 21.992 2.743 1.00 0.80 C ATOM 335 OH TYR A 111 -6.413 21.862 3.552 1.00 0.90 O ATOM 0 H TYR A 111 -0.042 23.423 2.212 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.689 20.740 1.050 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.669 23.449 -0.025 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.001 21.880 -0.732 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.552 20.292 0.371 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -2.808 24.190 2.016 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -5.547 20.059 1.825 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -4.802 23.956 3.473 1.00 0.78 H new ATOM 0 HH TYR A 111 -6.515 22.669 4.099 1.00 0.90 H new ATOM 345 N ILE A 112 0.791 21.448 -1.019 1.00 0.50 N ATOM 346 CA ILE A 112 2.005 21.662 -1.858 1.00 0.50 C ATOM 347 C ILE A 112 1.601 22.121 -3.262 1.00 0.49 C ATOM 348 O ILE A 112 1.066 21.361 -4.043 1.00 0.66 O ATOM 349 CB ILE A 112 2.690 20.294 -1.910 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.452 20.059 -0.604 1.00 0.62 C ATOM 351 CG2 ILE A 112 3.670 20.249 -3.083 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.782 18.572 -0.464 1.00 0.66 C ATOM 0 H ILE A 112 0.113 20.787 -1.398 1.00 0.50 H new ATOM 0 HA ILE A 112 2.663 22.431 -1.453 1.00 0.50 H new ATOM 0 HB ILE A 112 1.935 19.518 -2.041 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.369 20.648 -0.595 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.852 20.390 0.244 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.155 19.273 -3.115 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.130 20.417 -4.015 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.425 21.025 -2.956 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.325 18.406 0.467 1.00 0.66 H new ATOM 0 HD12 ILE A 112 2.858 17.994 -0.453 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.399 18.255 -1.305 1.00 0.66 H new ATOM 364 N ASP A 113 1.852 23.360 -3.588 1.00 0.47 N ATOM 365 CA ASP A 113 1.481 23.864 -4.942 1.00 0.50 C ATOM 366 C ASP A 113 2.567 23.503 -5.959 1.00 0.50 C ATOM 367 O ASP A 113 3.508 22.798 -5.652 1.00 0.57 O ATOM 368 CB ASP A 113 1.374 25.381 -4.786 1.00 0.60 C ATOM 369 CG ASP A 113 0.047 25.733 -4.111 1.00 1.17 C ATOM 370 OD1 ASP A 113 -0.067 25.509 -2.917 1.00 1.77 O ATOM 371 OD2 ASP A 113 -0.835 26.219 -4.801 1.00 1.85 O ATOM 0 H ASP A 113 2.297 24.044 -2.977 1.00 0.47 H new ATOM 0 HA ASP A 113 0.551 23.426 -5.304 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.207 25.756 -4.191 1.00 0.60 H new ATOM 0 HB3 ASP A 113 1.437 25.863 -5.762 1.00 0.60 H new ATOM 376 N LEU A 114 2.443 23.980 -7.168 1.00 0.52 N ATOM 377 CA LEU A 114 3.467 23.663 -8.206 1.00 0.57 C ATOM 378 C LEU A 114 4.777 24.391 -7.896 1.00 0.63 C ATOM 379 O LEU A 114 5.852 23.843 -8.036 1.00 0.80 O ATOM 380 CB LEU A 114 2.869 24.169 -9.519 1.00 0.62 C ATOM 381 CG LEU A 114 1.667 23.306 -9.900 1.00 0.61 C ATOM 382 CD1 LEU A 114 0.417 24.183 -9.997 1.00 0.91 C ATOM 383 CD2 LEU A 114 1.928 22.641 -11.253 1.00 0.81 C ATOM 0 H LEU A 114 1.677 24.576 -7.482 1.00 0.52 H new ATOM 0 HA LEU A 114 3.698 22.599 -8.247 1.00 0.57 H new ATOM 0 HB2 LEU A 114 2.564 25.210 -9.414 1.00 0.62 H new ATOM 0 HB3 LEU A 114 3.619 24.135 -10.309 1.00 0.62 H new ATOM 0 HG LEU A 114 1.514 22.540 -9.140 1.00 0.61 H new ATOM 0 HD11 LEU A 114 -0.440 23.566 -10.269 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.231 24.659 -9.034 1.00 0.91 H new ATOM 0 HD13 LEU A 114 0.568 24.949 -10.757 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.072 22.025 -11.527 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.080 23.408 -12.012 1.00 0.81 H new ATOM 0 HD23 LEU A 114 2.818 22.016 -11.185 1.00 0.81 H new ATOM 395 N ASP A 115 4.695 25.622 -7.473 1.00 0.61 N ATOM 396 CA ASP A 115 5.935 26.384 -7.151 1.00 0.71 C ATOM 397 C ASP A 115 6.594 25.804 -5.898 1.00 0.65 C ATOM 398 O ASP A 115 7.803 25.789 -5.771 1.00 0.89 O ATOM 399 CB ASP A 115 5.462 27.816 -6.899 1.00 0.80 C ATOM 400 CG ASP A 115 6.673 28.744 -6.789 1.00 1.17 C ATOM 401 OD1 ASP A 115 7.784 28.246 -6.856 1.00 1.76 O ATOM 402 OD2 ASP A 115 6.468 29.938 -6.641 1.00 1.76 O ATOM 0 H ASP A 115 3.823 26.134 -7.336 1.00 0.61 H new ATOM 0 HA ASP A 115 6.675 26.336 -7.950 1.00 0.71 H new ATOM 0 HB2 ASP A 115 4.813 28.143 -7.711 1.00 0.80 H new ATOM 0 HB3 ASP A 115 4.873 27.859 -5.983 1.00 0.80 H new ATOM 407 N GLU A 116 5.810 25.323 -4.973 1.00 0.51 N ATOM 408 CA GLU A 116 6.393 24.739 -3.732 1.00 0.48 C ATOM 409 C GLU A 116 7.075 23.406 -4.053 1.00 0.49 C ATOM 410 O GLU A 116 8.076 23.052 -3.463 1.00 0.63 O ATOM 411 CB GLU A 116 5.205 24.533 -2.794 1.00 0.48 C ATOM 412 CG GLU A 116 4.431 25.847 -2.660 1.00 0.57 C ATOM 413 CD GLU A 116 3.382 25.713 -1.555 1.00 0.60 C ATOM 414 OE1 GLU A 116 2.576 24.802 -1.638 1.00 1.36 O ATOM 415 OE2 GLU A 116 3.403 26.525 -0.644 1.00 1.19 O ATOM 0 H GLU A 116 4.791 25.309 -5.023 1.00 0.51 H new ATOM 0 HA GLU A 116 7.151 25.381 -3.283 1.00 0.48 H new ATOM 0 HB2 GLU A 116 4.552 23.751 -3.182 1.00 0.48 H new ATOM 0 HB3 GLU A 116 5.553 24.201 -1.816 1.00 0.48 H new ATOM 0 HG2 GLU A 116 5.116 26.663 -2.428 1.00 0.57 H new ATOM 0 HG3 GLU A 116 3.949 26.095 -3.605 1.00 0.57 H new ATOM 422 N LEU A 117 6.547 22.671 -4.994 1.00 0.48 N ATOM 423 CA LEU A 117 7.173 21.368 -5.361 1.00 0.52 C ATOM 424 C LEU A 117 8.578 21.608 -5.916 1.00 0.58 C ATOM 425 O LEU A 117 9.399 20.714 -5.974 1.00 0.69 O ATOM 426 CB LEU A 117 6.267 20.786 -6.447 1.00 0.55 C ATOM 427 CG LEU A 117 4.936 20.356 -5.832 1.00 0.50 C ATOM 428 CD1 LEU A 117 3.850 20.363 -6.911 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.075 18.943 -5.260 1.00 0.53 C ATOM 0 H LEU A 117 5.711 22.916 -5.524 1.00 0.48 H new ATOM 0 HA LEU A 117 7.270 20.697 -4.507 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.095 21.528 -7.227 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.753 19.933 -6.920 1.00 0.55 H new ATOM 0 HG LEU A 117 4.662 21.048 -5.035 1.00 0.50 H new ATOM 0 HD11 LEU A 117 2.900 20.056 -6.473 1.00 0.58 H new ATOM 0 HD12 LEU A 117 3.752 21.368 -7.322 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.123 19.670 -7.707 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.127 18.634 -4.820 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.348 18.253 -6.058 1.00 0.53 H new ATOM 0 HD23 LEU A 117 5.850 18.935 -4.493 1.00 0.53 H new ATOM 441 N LYS A 118 8.854 22.814 -6.329 1.00 0.59 N ATOM 442 CA LYS A 118 10.199 23.128 -6.889 1.00 0.69 C ATOM 443 C LYS A 118 11.188 23.440 -5.759 1.00 0.64 C ATOM 444 O LYS A 118 12.383 23.505 -5.970 1.00 0.73 O ATOM 445 CB LYS A 118 9.966 24.358 -7.772 1.00 0.83 C ATOM 446 CG LYS A 118 11.282 25.108 -7.987 1.00 0.99 C ATOM 447 CD LYS A 118 11.100 26.153 -9.091 1.00 1.35 C ATOM 448 CE LYS A 118 11.977 27.370 -8.792 1.00 1.51 C ATOM 449 NZ LYS A 118 11.857 28.238 -9.996 1.00 1.99 N ATOM 0 H LYS A 118 8.203 23.599 -6.303 1.00 0.59 H new ATOM 0 HA LYS A 118 10.627 22.297 -7.449 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.552 24.052 -8.733 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.235 25.018 -7.305 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.592 25.592 -7.061 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.071 24.408 -8.261 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.369 25.727 -10.058 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.054 26.452 -9.154 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.638 27.890 -7.896 1.00 1.51 H new ATOM 0 HE3 LYS A 118 13.012 27.077 -8.618 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 12.432 29.094 -9.865 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.193 27.720 -10.833 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.862 28.507 -10.132 1.00 1.99 H new ATOM 463 N ILE A 119 10.702 23.631 -4.563 1.00 0.68 N ATOM 464 CA ILE A 119 11.620 23.936 -3.428 1.00 0.74 C ATOM 465 C ILE A 119 12.030 22.640 -2.719 1.00 0.75 C ATOM 466 O ILE A 119 13.191 22.419 -2.437 1.00 0.85 O ATOM 467 CB ILE A 119 10.812 24.848 -2.497 1.00 0.98 C ATOM 468 CG1 ILE A 119 10.918 26.293 -2.991 1.00 1.22 C ATOM 469 CG2 ILE A 119 11.362 24.763 -1.070 1.00 1.08 C ATOM 470 CD1 ILE A 119 9.602 26.710 -3.647 1.00 1.06 C ATOM 0 H ILE A 119 9.712 23.589 -4.323 1.00 0.68 H new ATOM 0 HA ILE A 119 12.543 24.416 -3.753 1.00 0.74 H new ATOM 0 HB ILE A 119 9.770 24.528 -2.499 1.00 0.98 H new ATOM 0 HG12 ILE A 119 11.146 26.957 -2.157 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.737 26.385 -3.705 1.00 1.22 H new ATOM 0 HG21 ILE A 119 10.781 25.414 -0.417 1.00 1.08 H new ATOM 0 HG22 ILE A 119 11.291 23.735 -0.713 1.00 1.08 H new ATOM 0 HG23 ILE A 119 12.405 25.079 -1.063 1.00 1.08 H new ATOM 0 HD11 ILE A 119 9.680 27.739 -3.998 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.393 26.054 -4.492 1.00 1.06 H new ATOM 0 HD13 ILE A 119 8.793 26.635 -2.920 1.00 1.06 H new ATOM 482 N MET A 120 11.090 21.781 -2.431 1.00 0.85 N ATOM 483 CA MET A 120 11.437 20.503 -1.743 1.00 1.01 C ATOM 484 C MET A 120 12.657 19.864 -2.411 1.00 0.95 C ATOM 485 O MET A 120 13.383 19.102 -1.804 1.00 1.11 O ATOM 486 CB MET A 120 10.204 19.614 -1.909 1.00 1.17 C ATOM 487 CG MET A 120 9.751 19.634 -3.370 1.00 1.52 C ATOM 488 SD MET A 120 9.895 17.971 -4.069 1.00 1.88 S ATOM 489 CE MET A 120 8.758 17.147 -2.927 1.00 1.43 C ATOM 0 H MET A 120 10.100 21.907 -2.641 1.00 0.85 H new ATOM 0 HA MET A 120 11.689 20.652 -0.693 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.435 18.594 -1.603 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.400 19.966 -1.263 1.00 1.17 H new ATOM 0 HG2 MET A 120 8.720 19.980 -3.437 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.360 20.334 -3.941 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.189 16.388 -3.464 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.326 16.675 -2.125 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.073 17.881 -2.503 1.00 1.43 H new ATOM 499 N LEU A 121 12.888 20.173 -3.657 1.00 0.87 N ATOM 500 CA LEU A 121 14.060 19.591 -4.371 1.00 0.95 C ATOM 501 C LEU A 121 15.365 20.105 -3.754 1.00 0.87 C ATOM 502 O LEU A 121 16.440 19.633 -4.067 1.00 0.97 O ATOM 503 CB LEU A 121 13.919 20.083 -5.811 1.00 1.09 C ATOM 504 CG LEU A 121 13.472 18.927 -6.708 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.422 17.741 -6.527 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.053 18.505 -6.323 1.00 1.80 C ATOM 0 H LEU A 121 12.314 20.806 -4.214 1.00 0.87 H new ATOM 0 HA LEU A 121 14.088 18.503 -4.308 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.193 20.895 -5.859 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.869 20.483 -6.164 1.00 1.09 H new ATOM 0 HG LEU A 121 13.488 19.249 -7.749 1.00 1.41 H new ATOM 0 HD11 LEU A 121 14.103 16.918 -7.166 1.00 2.03 H new ATOM 0 HD12 LEU A 121 15.434 18.041 -6.799 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.407 17.418 -5.486 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.733 17.681 -6.961 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.039 18.184 -5.281 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.375 19.349 -6.452 1.00 1.80 H new ATOM 518 N GLN A 122 15.277 21.071 -2.880 1.00 0.82 N ATOM 519 CA GLN A 122 16.508 21.621 -2.242 1.00 0.95 C ATOM 520 C GLN A 122 17.359 20.489 -1.660 1.00 1.04 C ATOM 521 O GLN A 122 18.545 20.639 -1.443 1.00 1.19 O ATOM 522 CB GLN A 122 15.997 22.532 -1.124 1.00 1.14 C ATOM 523 CG GLN A 122 16.644 23.913 -1.250 1.00 1.42 C ATOM 524 CD GLN A 122 17.808 24.024 -0.263 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.286 23.029 0.245 1.00 2.44 O ATOM 526 NE2 GLN A 122 18.288 25.202 0.030 1.00 2.28 N ATOM 0 H GLN A 122 14.404 21.504 -2.580 1.00 0.82 H new ATOM 0 HA GLN A 122 17.137 22.155 -2.954 1.00 0.95 H new ATOM 0 HB2 GLN A 122 14.912 22.621 -1.181 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.230 22.097 -0.152 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.001 24.067 -2.268 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.907 24.691 -1.049 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.886 26.037 -0.397 1.00 2.28 H new ATOM 0 HE22 GLN A 122 19.065 25.288 0.686 1.00 2.28 H new ATOM 535 N ALA A 123 16.762 19.359 -1.401 1.00 1.09 N ATOM 536 CA ALA A 123 17.536 18.221 -0.828 1.00 1.33 C ATOM 537 C ALA A 123 18.153 17.376 -1.946 1.00 1.38 C ATOM 538 O ALA A 123 18.877 16.433 -1.696 1.00 1.62 O ATOM 539 CB ALA A 123 16.509 17.403 -0.043 1.00 1.45 C ATOM 0 H ALA A 123 15.772 19.174 -1.561 1.00 1.09 H new ATOM 0 HA ALA A 123 18.360 18.559 -0.199 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.000 16.543 0.412 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.068 18.024 0.737 1.00 1.45 H new ATOM 0 HB3 ALA A 123 15.726 17.058 -0.718 1.00 1.45 H new ATOM 545 N THR A 124 17.870 17.702 -3.177 1.00 1.29 N ATOM 546 CA THR A 124 18.439 16.912 -4.307 1.00 1.47 C ATOM 547 C THR A 124 19.275 17.811 -5.222 1.00 1.44 C ATOM 548 O THR A 124 19.569 17.464 -6.348 1.00 1.72 O ATOM 549 CB THR A 124 17.220 16.372 -5.057 1.00 1.56 C ATOM 550 OG1 THR A 124 16.125 16.263 -4.159 1.00 2.16 O ATOM 551 CG2 THR A 124 17.543 14.997 -5.641 1.00 1.92 C ATOM 0 H THR A 124 17.270 18.480 -3.450 1.00 1.29 H new ATOM 0 HA THR A 124 19.098 16.115 -3.963 1.00 1.47 H new ATOM 0 HB THR A 124 16.961 17.054 -5.867 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.461 15.643 -4.526 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.673 14.615 -6.175 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.383 15.083 -6.331 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.804 14.311 -4.835 1.00 1.92 H new ATOM 559 N GLY A 125 19.657 18.967 -4.751 1.00 1.26 N ATOM 560 CA GLY A 125 20.469 19.883 -5.601 1.00 1.32 C ATOM 561 C GLY A 125 19.534 20.746 -6.450 1.00 1.26 C ATOM 562 O GLY A 125 19.933 21.746 -7.012 1.00 1.63 O ATOM 0 H GLY A 125 19.442 19.316 -3.817 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.099 20.516 -4.975 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.135 19.307 -6.244 1.00 1.32 H new ATOM 566 N GLU A 126 18.290 20.365 -6.542 1.00 1.02 N ATOM 567 CA GLU A 126 17.316 21.157 -7.347 1.00 1.08 C ATOM 568 C GLU A 126 17.693 21.131 -8.828 1.00 0.89 C ATOM 569 O GLU A 126 17.475 22.086 -9.548 1.00 0.87 O ATOM 570 CB GLU A 126 17.397 22.582 -6.796 1.00 1.34 C ATOM 571 CG GLU A 126 17.407 22.545 -5.265 1.00 1.45 C ATOM 572 CD GLU A 126 18.683 23.210 -4.747 1.00 1.61 C ATOM 573 OE1 GLU A 126 19.110 24.180 -5.353 1.00 2.09 O ATOM 574 OE2 GLU A 126 19.211 22.740 -3.753 1.00 2.16 O ATOM 0 H GLU A 126 17.904 19.535 -6.092 1.00 1.02 H new ATOM 0 HA GLU A 126 16.307 20.751 -7.274 1.00 1.08 H new ATOM 0 HB2 GLU A 126 18.298 23.073 -7.163 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.548 23.167 -7.149 1.00 1.34 H new ATOM 0 HG2 GLU A 126 16.530 23.060 -4.872 1.00 1.45 H new ATOM 0 HG3 GLU A 126 17.354 21.514 -4.915 1.00 1.45 H new ATOM 581 N THR A 127 18.244 20.046 -9.298 1.00 1.09 N ATOM 582 CA THR A 127 18.612 19.978 -10.740 1.00 1.21 C ATOM 583 C THR A 127 17.568 19.156 -11.502 1.00 1.29 C ATOM 584 O THR A 127 17.664 17.949 -11.601 1.00 1.60 O ATOM 585 CB THR A 127 19.972 19.280 -10.771 1.00 1.57 C ATOM 586 OG1 THR A 127 19.819 17.927 -10.364 1.00 1.91 O ATOM 587 CG2 THR A 127 20.936 19.995 -9.823 1.00 2.18 C ATOM 0 H THR A 127 18.454 19.211 -8.752 1.00 1.09 H new ATOM 0 HA THR A 127 18.653 20.962 -11.207 1.00 1.21 H new ATOM 0 HB THR A 127 20.373 19.311 -11.784 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.234 17.459 -10.996 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.905 19.497 -9.846 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.054 21.032 -10.138 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.537 19.967 -8.809 1.00 2.18 H new ATOM 595 N ILE A 128 16.575 19.806 -12.043 1.00 1.08 N ATOM 596 CA ILE A 128 15.523 19.072 -12.802 1.00 1.20 C ATOM 597 C ILE A 128 15.159 19.842 -14.074 1.00 1.18 C ATOM 598 O ILE A 128 15.560 20.974 -14.260 1.00 1.15 O ATOM 599 CB ILE A 128 14.328 19.002 -11.852 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.222 18.153 -12.485 1.00 1.32 C ATOM 601 CG2 ILE A 128 13.799 20.413 -11.590 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.069 17.994 -11.494 1.00 2.03 C ATOM 0 H ILE A 128 16.446 20.817 -11.992 1.00 1.08 H new ATOM 0 HA ILE A 128 15.851 18.081 -13.115 1.00 1.20 H new ATOM 0 HB ILE A 128 14.640 18.551 -10.910 1.00 1.12 H new ATOM 0 HG12 ILE A 128 12.866 18.625 -13.401 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.614 17.175 -12.763 1.00 1.32 H new ATOM 0 HG21 ILE A 128 12.947 20.362 -10.912 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.585 21.018 -11.139 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.487 20.865 -12.531 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.282 17.390 -11.945 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.431 17.503 -10.591 1.00 2.03 H new ATOM 0 HD13 ILE A 128 11.671 18.976 -11.239 1.00 2.03 H new ATOM 614 N THR A 129 14.395 19.246 -14.947 1.00 1.34 N ATOM 615 CA THR A 129 14.003 19.960 -16.195 1.00 1.42 C ATOM 616 C THR A 129 12.853 20.927 -15.898 1.00 1.16 C ATOM 617 O THR A 129 11.952 20.619 -15.143 1.00 0.97 O ATOM 618 CB THR A 129 13.553 18.866 -17.168 1.00 1.64 C ATOM 619 OG1 THR A 129 13.747 17.589 -16.576 1.00 2.23 O ATOM 620 CG2 THR A 129 14.373 18.962 -18.456 1.00 2.28 C ATOM 0 H THR A 129 14.026 18.300 -14.851 1.00 1.34 H new ATOM 0 HA THR A 129 14.821 20.548 -16.610 1.00 1.42 H new ATOM 0 HB THR A 129 12.496 18.999 -17.398 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.457 16.892 -17.200 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.054 18.184 -19.149 1.00 2.28 H new ATOM 0 HG22 THR A 129 14.220 19.940 -18.913 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.430 18.831 -18.225 1.00 2.28 H new ATOM 628 N GLU A 130 12.879 22.095 -16.479 1.00 1.31 N ATOM 629 CA GLU A 130 11.789 23.082 -16.222 1.00 1.28 C ATOM 630 C GLU A 130 10.421 22.455 -16.506 1.00 1.16 C ATOM 631 O GLU A 130 9.431 22.802 -15.893 1.00 1.21 O ATOM 632 CB GLU A 130 12.062 24.236 -17.188 1.00 1.69 C ATOM 633 CG GLU A 130 12.071 23.710 -18.623 1.00 2.05 C ATOM 634 CD GLU A 130 13.198 24.385 -19.407 1.00 2.43 C ATOM 635 OE1 GLU A 130 13.503 25.527 -19.102 1.00 3.03 O ATOM 636 OE2 GLU A 130 13.738 23.749 -20.297 1.00 2.70 O ATOM 0 H GLU A 130 13.607 22.410 -17.120 1.00 1.31 H new ATOM 0 HA GLU A 130 11.773 23.414 -15.184 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.298 25.006 -17.077 1.00 1.69 H new ATOM 0 HB3 GLU A 130 13.020 24.701 -16.954 1.00 1.69 H new ATOM 0 HG2 GLU A 130 12.210 22.629 -18.624 1.00 2.05 H new ATOM 0 HG3 GLU A 130 11.112 23.909 -19.101 1.00 2.05 H new ATOM 643 N ASP A 131 10.356 21.534 -17.428 1.00 1.18 N ATOM 644 CA ASP A 131 9.049 20.891 -17.745 1.00 1.19 C ATOM 645 C ASP A 131 8.731 19.803 -16.716 1.00 1.07 C ATOM 646 O ASP A 131 7.584 19.499 -16.453 1.00 1.14 O ATOM 647 CB ASP A 131 9.233 20.280 -19.135 1.00 1.44 C ATOM 648 CG ASP A 131 9.311 21.397 -20.177 1.00 1.48 C ATOM 649 OD1 ASP A 131 8.287 22.004 -20.445 1.00 2.07 O ATOM 650 OD2 ASP A 131 10.394 21.626 -20.691 1.00 1.91 O ATOM 0 H ASP A 131 11.149 21.199 -17.975 1.00 1.18 H new ATOM 0 HA ASP A 131 8.223 21.602 -17.720 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.142 19.679 -19.162 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.402 19.612 -19.363 1.00 1.44 H new ATOM 655 N ASP A 132 9.737 19.215 -16.130 1.00 1.00 N ATOM 656 CA ASP A 132 9.490 18.148 -15.118 1.00 1.03 C ATOM 657 C ASP A 132 8.728 18.722 -13.919 1.00 0.88 C ATOM 658 O ASP A 132 8.155 17.995 -13.131 1.00 1.03 O ATOM 659 CB ASP A 132 10.882 17.675 -14.694 1.00 1.13 C ATOM 660 CG ASP A 132 11.123 16.257 -15.216 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.279 15.763 -15.944 1.00 1.79 O ATOM 662 OD2 ASP A 132 12.150 15.690 -14.880 1.00 1.99 O ATOM 0 H ASP A 132 10.719 19.426 -16.307 1.00 1.00 H new ATOM 0 HA ASP A 132 8.886 17.332 -15.516 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.642 18.351 -15.085 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.968 17.693 -13.608 1.00 1.13 H new ATOM 667 N ILE A 133 8.715 20.020 -13.775 1.00 0.75 N ATOM 668 CA ILE A 133 7.988 20.636 -12.628 1.00 0.77 C ATOM 669 C ILE A 133 6.482 20.393 -12.764 1.00 0.70 C ATOM 670 O ILE A 133 5.842 19.888 -11.863 1.00 0.82 O ATOM 671 CB ILE A 133 8.301 22.130 -12.713 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.816 22.338 -12.670 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.655 22.855 -11.531 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.363 21.834 -11.332 1.00 1.00 C ATOM 0 H ILE A 133 9.176 20.680 -14.402 1.00 0.75 H new ATOM 0 HA ILE A 133 8.293 20.211 -11.671 1.00 0.77 H new ATOM 0 HB ILE A 133 7.905 22.530 -13.646 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.291 21.804 -13.493 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.052 23.394 -12.797 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.878 23.920 -11.592 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.575 22.708 -11.560 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.051 22.454 -10.598 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.442 21.982 -11.301 1.00 1.00 H new ATOM 0 HD12 ILE A 133 9.897 22.388 -10.517 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.139 20.773 -11.224 1.00 1.00 H new ATOM 686 N GLU A 134 5.911 20.749 -13.883 1.00 0.61 N ATOM 687 CA GLU A 134 4.447 20.535 -14.073 1.00 0.64 C ATOM 688 C GLU A 134 4.167 19.063 -14.385 1.00 0.64 C ATOM 689 O GLU A 134 3.088 18.560 -14.139 1.00 0.76 O ATOM 690 CB GLU A 134 4.066 21.413 -15.265 1.00 0.73 C ATOM 691 CG GLU A 134 4.374 22.877 -14.946 1.00 0.89 C ATOM 692 CD GLU A 134 3.741 23.774 -16.012 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.210 23.742 -17.139 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.798 24.476 -15.685 1.00 1.87 O ATOM 0 H GLU A 134 6.394 21.178 -14.673 1.00 0.61 H new ATOM 0 HA GLU A 134 3.875 20.789 -13.181 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.618 21.100 -16.151 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.006 21.295 -15.492 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.986 23.135 -13.961 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.452 23.035 -14.916 1.00 0.89 H new ATOM 701 N GLU A 135 5.130 18.370 -14.928 1.00 0.59 N ATOM 702 CA GLU A 135 4.921 16.932 -15.260 1.00 0.67 C ATOM 703 C GLU A 135 4.644 16.126 -13.988 1.00 0.74 C ATOM 704 O GLU A 135 3.715 15.346 -13.926 1.00 0.91 O ATOM 705 CB GLU A 135 6.233 16.483 -15.905 1.00 0.72 C ATOM 706 CG GLU A 135 6.052 16.392 -17.422 1.00 1.16 C ATOM 707 CD GLU A 135 6.169 17.789 -18.035 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.250 18.571 -17.859 1.00 2.03 O ATOM 709 OE2 GLU A 135 7.177 18.053 -18.671 1.00 2.29 O ATOM 0 H GLU A 135 6.054 18.738 -15.156 1.00 0.59 H new ATOM 0 HA GLU A 135 4.067 16.781 -15.920 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.029 17.188 -15.665 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.534 15.515 -15.505 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.806 15.731 -17.850 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.079 15.960 -17.658 1.00 1.16 H new ATOM 716 N LEU A 136 5.446 16.305 -12.975 1.00 0.73 N ATOM 717 CA LEU A 136 5.230 15.546 -11.709 1.00 0.87 C ATOM 718 C LEU A 136 3.907 15.961 -11.058 1.00 0.81 C ATOM 719 O LEU A 136 3.177 15.142 -10.536 1.00 1.00 O ATOM 720 CB LEU A 136 6.410 15.925 -10.814 1.00 0.99 C ATOM 721 CG LEU A 136 7.721 15.551 -11.507 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.855 16.414 -10.951 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.032 14.075 -11.247 1.00 1.75 C ATOM 0 H LEU A 136 6.241 16.943 -12.968 1.00 0.73 H new ATOM 0 HA LEU A 136 5.175 14.471 -11.878 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.391 16.994 -10.603 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.333 15.410 -9.857 1.00 0.99 H new ATOM 0 HG LEU A 136 7.626 15.720 -12.580 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.790 16.148 -11.444 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.635 17.466 -11.133 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.949 16.244 -9.879 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.966 13.808 -11.741 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.127 13.907 -10.174 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.224 13.458 -11.641 1.00 1.75 H new ATOM 735 N MET A 137 3.594 17.228 -11.082 1.00 0.67 N ATOM 736 CA MET A 137 2.319 17.692 -10.461 1.00 0.71 C ATOM 737 C MET A 137 1.141 16.872 -10.993 1.00 0.68 C ATOM 738 O MET A 137 0.204 16.579 -10.278 1.00 0.70 O ATOM 739 CB MET A 137 2.183 19.157 -10.878 1.00 0.82 C ATOM 740 CG MET A 137 1.931 20.019 -9.639 1.00 0.99 C ATOM 741 SD MET A 137 0.165 20.396 -9.513 1.00 0.94 S ATOM 742 CE MET A 137 0.175 20.947 -7.789 1.00 0.53 C ATOM 0 H MET A 137 4.164 17.961 -11.504 1.00 0.67 H new ATOM 0 HA MET A 137 2.323 17.576 -9.377 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.089 19.487 -11.386 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.362 19.270 -11.586 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.266 19.495 -8.744 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.507 20.942 -9.702 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.578 20.395 -7.226 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.158 20.765 -7.355 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.049 22.013 -7.746 1.00 0.53 H new ATOM 752 N LYS A 138 1.180 16.498 -12.243 1.00 0.76 N ATOM 753 CA LYS A 138 0.060 15.697 -12.815 1.00 0.82 C ATOM 754 C LYS A 138 -0.052 14.355 -12.086 1.00 0.72 C ATOM 755 O LYS A 138 -1.093 13.729 -12.074 1.00 0.84 O ATOM 756 CB LYS A 138 0.434 15.481 -14.282 1.00 0.99 C ATOM 757 CG LYS A 138 0.023 16.707 -15.100 1.00 1.57 C ATOM 758 CD LYS A 138 0.264 16.434 -16.586 1.00 2.09 C ATOM 759 CE LYS A 138 0.293 17.760 -17.350 1.00 2.74 C ATOM 760 NZ LYS A 138 1.734 18.138 -17.414 1.00 3.43 N ATOM 0 H LYS A 138 1.937 16.712 -12.892 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.902 16.198 -12.711 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.507 15.313 -14.374 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.062 14.590 -14.667 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -1.029 16.936 -14.928 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.596 17.578 -14.782 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.207 15.903 -16.721 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.523 15.791 -16.981 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -0.131 17.650 -18.348 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -0.293 18.523 -16.838 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 1.834 19.039 -17.924 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 2.109 18.243 -16.449 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 2.266 17.396 -17.913 1.00 3.43 H new ATOM 774 N ASP A 139 1.014 13.910 -11.478 1.00 0.75 N ATOM 775 CA ASP A 139 0.970 12.609 -10.750 1.00 0.78 C ATOM 776 C ASP A 139 0.725 12.844 -9.258 1.00 0.70 C ATOM 777 O ASP A 139 0.218 11.988 -8.560 1.00 0.81 O ATOM 778 CB ASP A 139 2.349 11.986 -10.972 1.00 0.97 C ATOM 779 CG ASP A 139 2.411 11.365 -12.368 1.00 1.16 C ATOM 780 OD1 ASP A 139 2.462 12.117 -13.328 1.00 1.69 O ATOM 781 OD2 ASP A 139 2.407 10.148 -12.454 1.00 1.66 O ATOM 0 H ASP A 139 1.913 14.391 -11.454 1.00 0.75 H new ATOM 0 HA ASP A 139 0.166 11.964 -11.106 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.124 12.745 -10.866 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.542 11.225 -10.215 1.00 0.97 H new ATOM 786 N GLY A 140 1.082 13.997 -8.763 1.00 0.64 N ATOM 787 CA GLY A 140 0.870 14.283 -7.316 1.00 0.62 C ATOM 788 C GLY A 140 -0.525 14.874 -7.108 1.00 0.57 C ATOM 789 O GLY A 140 -1.062 14.850 -6.019 1.00 0.65 O ATOM 0 H GLY A 140 1.511 14.753 -9.297 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.978 13.367 -6.734 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.628 14.980 -6.958 1.00 0.62 H new ATOM 793 N ASP A 141 -1.118 15.406 -8.142 1.00 0.56 N ATOM 794 CA ASP A 141 -2.479 15.997 -7.992 1.00 0.56 C ATOM 795 C ASP A 141 -3.205 16.024 -9.338 1.00 0.58 C ATOM 796 O ASP A 141 -3.255 17.037 -10.007 1.00 0.64 O ATOM 797 CB ASP A 141 -2.238 17.419 -7.488 1.00 0.60 C ATOM 798 CG ASP A 141 -3.296 17.776 -6.442 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.229 17.236 -5.350 1.00 1.23 O ATOM 800 OD2 ASP A 141 -4.157 18.583 -6.752 1.00 1.14 O ATOM 0 H ASP A 141 -0.721 15.457 -9.080 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.103 15.419 -7.310 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.241 17.498 -7.054 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.281 18.123 -8.319 1.00 0.60 H new ATOM 805 N LYS A 142 -3.774 14.922 -9.739 1.00 0.62 N ATOM 806 CA LYS A 142 -4.502 14.894 -11.038 1.00 0.70 C ATOM 807 C LYS A 142 -5.642 15.917 -11.015 1.00 0.79 C ATOM 808 O LYS A 142 -6.189 16.276 -12.038 1.00 0.92 O ATOM 809 CB LYS A 142 -5.054 13.473 -11.153 1.00 0.79 C ATOM 810 CG LYS A 142 -4.100 12.620 -11.992 1.00 0.88 C ATOM 811 CD LYS A 142 -4.895 11.852 -13.049 1.00 1.37 C ATOM 812 CE LYS A 142 -5.450 12.833 -14.084 1.00 1.79 C ATOM 813 NZ LYS A 142 -4.433 12.858 -15.172 1.00 2.44 N ATOM 0 H LYS A 142 -3.767 14.041 -9.225 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.861 15.147 -11.883 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.172 13.036 -10.161 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.042 13.492 -11.613 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.355 13.255 -12.472 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.560 11.923 -11.351 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.256 11.116 -13.536 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.711 11.304 -12.578 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -6.420 12.506 -14.458 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -5.592 13.824 -13.653 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -4.742 13.510 -15.921 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.521 13.179 -14.788 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -4.324 11.902 -15.568 1.00 2.44 H new ATOM 827 N ASN A 143 -5.998 16.390 -9.852 1.00 0.80 N ATOM 828 CA ASN A 143 -7.099 17.393 -9.758 1.00 0.95 C ATOM 829 C ASN A 143 -6.639 18.734 -10.335 1.00 0.92 C ATOM 830 O ASN A 143 -7.437 19.609 -10.603 1.00 1.08 O ATOM 831 CB ASN A 143 -7.389 17.523 -8.262 1.00 1.07 C ATOM 832 CG ASN A 143 -8.470 18.582 -8.040 1.00 1.36 C ATOM 833 OD1 ASN A 143 -9.037 19.096 -8.984 1.00 1.95 O ATOM 834 ND2 ASN A 143 -8.783 18.933 -6.822 1.00 1.70 N ATOM 0 H ASN A 143 -5.575 16.126 -8.962 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.984 17.092 -10.319 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.717 16.564 -7.860 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.480 17.799 -7.728 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.503 19.638 -6.663 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -8.308 18.502 -6.029 1.00 1.70 H new ATOM 841 N ASN A 144 -5.355 18.895 -10.526 1.00 0.86 N ATOM 842 CA ASN A 144 -4.825 20.174 -11.087 1.00 0.93 C ATOM 843 C ASN A 144 -5.597 21.374 -10.528 1.00 1.03 C ATOM 844 O ASN A 144 -5.756 22.383 -11.187 1.00 1.71 O ATOM 845 CB ASN A 144 -5.025 20.060 -12.600 1.00 1.08 C ATOM 846 CG ASN A 144 -6.517 20.124 -12.931 1.00 1.49 C ATOM 847 OD1 ASN A 144 -7.214 19.020 -12.962 1.00 2.18 O flip ATOM 848 ND2 ASN A 144 -7.055 21.188 -13.164 1.00 1.97 N flip ATOM 0 H ASN A 144 -4.647 18.191 -10.316 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.779 20.330 -10.824 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.495 20.866 -13.108 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -4.602 19.123 -12.962 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -6.511 22.051 -13.140 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -8.051 21.219 -13.384 1.00 1.97 H new ATOM 855 N ASP A 145 -6.077 21.276 -9.317 1.00 0.88 N ATOM 856 CA ASP A 145 -6.835 22.415 -8.722 1.00 0.92 C ATOM 857 C ASP A 145 -5.871 23.523 -8.287 1.00 0.91 C ATOM 858 O ASP A 145 -6.280 24.610 -7.932 1.00 1.07 O ATOM 859 CB ASP A 145 -7.557 21.826 -7.509 1.00 0.93 C ATOM 860 CG ASP A 145 -6.536 21.181 -6.571 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.692 20.448 -7.059 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.616 21.430 -5.379 1.00 2.06 O ATOM 0 H ASP A 145 -5.977 20.458 -8.715 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.532 22.860 -9.432 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -8.106 22.608 -6.984 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -8.288 21.085 -7.832 1.00 0.93 H new ATOM 867 N GLY A 146 -4.594 23.255 -8.313 1.00 0.84 N ATOM 868 CA GLY A 146 -3.606 24.294 -7.903 1.00 0.92 C ATOM 869 C GLY A 146 -3.178 24.055 -6.454 1.00 0.66 C ATOM 870 O GLY A 146 -2.568 24.902 -5.830 1.00 0.74 O ATOM 0 H GLY A 146 -4.192 22.363 -8.600 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.736 24.262 -8.559 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.045 25.287 -8.004 1.00 0.92 H new ATOM 874 N ARG A 147 -3.490 22.910 -5.912 1.00 0.56 N ATOM 875 CA ARG A 147 -3.097 22.625 -4.501 1.00 0.54 C ATOM 876 C ARG A 147 -2.976 21.115 -4.276 1.00 0.46 C ATOM 877 O ARG A 147 -3.778 20.339 -4.757 1.00 0.45 O ATOM 878 CB ARG A 147 -4.228 23.205 -3.650 1.00 0.77 C ATOM 879 CG ARG A 147 -3.673 24.307 -2.746 1.00 1.39 C ATOM 880 CD ARG A 147 -4.791 24.848 -1.852 1.00 1.79 C ATOM 881 NE ARG A 147 -4.479 26.295 -1.682 1.00 2.55 N ATOM 882 CZ ARG A 147 -5.234 27.044 -0.923 1.00 2.87 C ATOM 883 NH1 ARG A 147 -6.270 26.531 -0.315 1.00 3.10 N ATOM 884 NH2 ARG A 147 -4.953 28.309 -0.772 1.00 3.37 N ATOM 0 H ARG A 147 -3.998 22.161 -6.382 1.00 0.56 H new ATOM 0 HA ARG A 147 -2.130 23.060 -4.247 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -5.011 23.607 -4.293 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.683 22.420 -3.046 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.861 23.915 -2.133 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.255 25.112 -3.351 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.769 24.706 -2.312 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.813 24.333 -0.892 1.00 1.79 H new ATOM 0 HE ARG A 147 -3.674 26.702 -2.159 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -6.492 25.542 -0.432 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -6.857 27.119 0.277 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -4.145 28.712 -1.246 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -5.541 28.895 -0.180 1.00 3.37 H new ATOM 898 N ILE A 148 -1.979 20.694 -3.547 1.00 0.49 N ATOM 899 CA ILE A 148 -1.805 19.236 -3.288 1.00 0.44 C ATOM 900 C ILE A 148 -2.078 18.929 -1.812 1.00 0.46 C ATOM 901 O ILE A 148 -1.796 19.727 -0.941 1.00 0.63 O ATOM 902 CB ILE A 148 -0.346 18.945 -3.640 1.00 0.46 C ATOM 903 CG1 ILE A 148 -0.108 19.264 -5.118 1.00 0.56 C ATOM 904 CG2 ILE A 148 -0.041 17.468 -3.385 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.323 18.883 -5.501 1.00 0.63 C ATOM 0 H ILE A 148 -1.277 21.297 -3.119 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.493 18.624 -3.871 1.00 0.44 H new ATOM 0 HB ILE A 148 0.306 19.562 -3.021 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.819 18.717 -5.738 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.274 20.325 -5.303 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.000 17.263 -3.637 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.212 17.237 -2.334 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.692 16.850 -4.003 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.491 19.111 -6.554 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.026 19.450 -4.891 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.473 17.817 -5.332 1.00 0.63 H new ATOM 917 N ASP A 149 -2.631 17.782 -1.524 1.00 0.48 N ATOM 918 CA ASP A 149 -2.927 17.435 -0.104 1.00 0.53 C ATOM 919 C ASP A 149 -2.160 16.177 0.316 1.00 0.53 C ATOM 920 O ASP A 149 -1.325 15.673 -0.409 1.00 0.63 O ATOM 921 CB ASP A 149 -4.434 17.180 -0.066 1.00 0.58 C ATOM 922 CG ASP A 149 -5.179 18.466 -0.428 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.614 19.273 -1.146 1.00 1.84 O ATOM 924 OD2 ASP A 149 -6.303 18.621 0.020 1.00 1.65 O ATOM 0 H ASP A 149 -2.890 17.072 -2.209 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.626 18.227 0.581 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.697 16.386 -0.765 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.731 16.842 0.927 1.00 0.58 H new ATOM 929 N TYR A 150 -2.442 15.669 1.485 1.00 0.58 N ATOM 930 CA TYR A 150 -1.738 14.444 1.964 1.00 0.60 C ATOM 931 C TYR A 150 -2.202 13.220 1.167 1.00 0.59 C ATOM 932 O TYR A 150 -1.426 12.579 0.487 1.00 0.63 O ATOM 933 CB TYR A 150 -2.137 14.319 3.438 1.00 0.73 C ATOM 934 CG TYR A 150 -1.906 12.905 3.918 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.731 12.228 3.568 1.00 1.22 C ATOM 936 CD2 TYR A 150 -2.868 12.271 4.713 1.00 1.15 C ATOM 937 CE1 TYR A 150 -0.519 10.918 4.013 1.00 1.56 C ATOM 938 CE2 TYR A 150 -2.655 10.961 5.159 1.00 1.43 C ATOM 939 CZ TYR A 150 -1.481 10.285 4.809 1.00 1.48 C ATOM 940 OH TYR A 150 -1.270 8.993 5.248 1.00 1.96 O ATOM 0 H TYR A 150 -3.132 16.051 2.132 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.657 14.506 1.838 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.555 15.016 4.041 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.186 14.588 3.563 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.012 12.717 2.955 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -3.775 12.792 4.982 1.00 1.15 H new ATOM 0 HE1 TYR A 150 0.387 10.396 3.742 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -3.397 10.472 5.773 1.00 1.43 H new ATOM 0 HH TYR A 150 -2.033 8.703 5.790 1.00 1.96 H new ATOM 950 N ASP A 151 -3.462 12.893 1.249 1.00 0.64 N ATOM 951 CA ASP A 151 -3.977 11.710 0.499 1.00 0.70 C ATOM 952 C ASP A 151 -3.503 11.755 -0.957 1.00 0.63 C ATOM 953 O ASP A 151 -3.208 10.739 -1.554 1.00 0.77 O ATOM 954 CB ASP A 151 -5.499 11.833 0.570 1.00 0.79 C ATOM 955 CG ASP A 151 -5.916 13.242 0.145 1.00 1.24 C ATOM 956 OD1 ASP A 151 -5.815 14.140 0.964 1.00 1.90 O ATOM 957 OD2 ASP A 151 -6.328 13.399 -0.992 1.00 1.83 O ATOM 0 H ASP A 151 -4.158 13.393 1.802 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.621 10.769 0.918 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.965 11.092 -0.080 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.844 11.630 1.584 1.00 0.79 H new ATOM 962 N GLU A 152 -3.432 12.924 -1.533 1.00 0.54 N ATOM 963 CA GLU A 152 -2.980 13.031 -2.951 1.00 0.56 C ATOM 964 C GLU A 152 -1.462 12.863 -3.041 1.00 0.52 C ATOM 965 O GLU A 152 -0.909 12.691 -4.110 1.00 0.65 O ATOM 966 CB GLU A 152 -3.389 14.437 -3.391 1.00 0.60 C ATOM 967 CG GLU A 152 -4.780 14.389 -4.024 1.00 0.77 C ATOM 968 CD GLU A 152 -5.234 15.808 -4.370 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.526 16.556 -3.451 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.284 16.123 -5.548 1.00 1.17 O ATOM 0 H GLU A 152 -3.667 13.809 -1.084 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.421 12.259 -3.582 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.391 15.111 -2.535 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.666 14.831 -4.105 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.761 13.773 -4.923 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.488 13.927 -3.336 1.00 0.77 H new ATOM 977 N PHE A 153 -0.783 12.912 -1.928 1.00 0.46 N ATOM 978 CA PHE A 153 0.699 12.757 -1.953 1.00 0.46 C ATOM 979 C PHE A 153 1.074 11.276 -2.051 1.00 0.50 C ATOM 980 O PHE A 153 2.191 10.928 -2.379 1.00 0.64 O ATOM 981 CB PHE A 153 1.179 13.345 -0.626 1.00 0.49 C ATOM 982 CG PHE A 153 2.689 13.373 -0.604 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.383 14.315 -1.374 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.395 12.458 0.186 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.782 14.341 -1.355 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.795 12.484 0.205 1.00 0.61 C ATOM 987 CZ PHE A 153 5.488 13.425 -0.565 1.00 0.68 C ATOM 0 H PHE A 153 -1.190 13.053 -1.003 1.00 0.46 H new ATOM 0 HA PHE A 153 1.153 13.256 -2.809 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.784 14.353 -0.499 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.804 12.748 0.205 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.838 15.022 -1.983 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.860 11.732 0.781 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.317 15.067 -1.949 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.340 11.778 0.814 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.568 13.445 -0.550 1.00 0.68 H new ATOM 997 N LEU A 154 0.148 10.401 -1.769 1.00 0.53 N ATOM 998 CA LEU A 154 0.451 8.943 -1.845 1.00 0.62 C ATOM 999 C LEU A 154 0.622 8.514 -3.305 1.00 0.65 C ATOM 1000 O LEU A 154 1.659 8.019 -3.700 1.00 0.83 O ATOM 1001 CB LEU A 154 -0.763 8.253 -1.221 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.367 7.640 0.123 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.579 6.462 -0.112 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.338 8.697 0.977 1.00 1.20 C ATOM 0 H LEU A 154 -0.805 10.632 -1.489 1.00 0.53 H new ATOM 0 HA LEU A 154 1.376 8.686 -1.329 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.571 8.971 -1.081 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.138 7.478 -1.890 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.261 7.290 0.640 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.861 6.025 0.846 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.078 5.709 -0.721 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.473 6.811 -0.629 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.621 8.261 1.935 1.00 1.20 H new ATOM 0 HD22 LEU A 154 1.231 9.046 0.459 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -0.336 9.537 1.145 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.387 8.702 -4.109 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.283 8.306 -5.542 1.00 0.81 C ATOM 1018 C GLU A 155 0.954 8.945 -6.180 1.00 0.76 C ATOM 1019 O GLU A 155 1.426 8.511 -7.211 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.560 8.840 -6.192 1.00 0.97 C ATOM 1021 CG GLU A 155 -1.848 8.056 -7.473 1.00 1.41 C ATOM 1022 CD GLU A 155 -2.509 8.978 -8.499 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.352 9.766 -8.102 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -2.160 8.882 -9.664 1.00 2.57 O ATOM 0 H GLU A 155 -1.280 9.113 -3.836 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.182 7.228 -5.667 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.398 8.748 -5.501 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.449 9.900 -6.419 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -0.922 7.648 -7.878 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -2.500 7.210 -7.255 1.00 1.41 H new ATOM 1031 N PHE A 156 1.482 9.973 -5.574 1.00 0.66 N ATOM 1032 CA PHE A 156 2.687 10.638 -6.148 1.00 0.77 C ATOM 1033 C PHE A 156 3.906 9.720 -6.033 1.00 0.71 C ATOM 1034 O PHE A 156 4.720 9.637 -6.931 1.00 0.88 O ATOM 1035 CB PHE A 156 2.882 11.898 -5.305 1.00 0.84 C ATOM 1036 CG PHE A 156 4.128 12.621 -5.759 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.357 12.832 -7.124 1.00 1.49 C ATOM 1038 CD2 PHE A 156 5.053 13.080 -4.815 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.512 13.503 -7.544 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.208 13.751 -5.235 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.437 13.962 -6.600 1.00 1.53 C ATOM 0 H PHE A 156 1.132 10.381 -4.707 1.00 0.66 H new ATOM 0 HA PHE A 156 2.566 10.870 -7.206 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.014 12.551 -5.402 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.966 11.634 -4.251 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.643 12.477 -7.853 1.00 1.49 H new ATOM 0 HD2 PHE A 156 4.876 12.917 -3.762 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.689 13.666 -8.597 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.922 14.106 -4.506 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.328 14.479 -6.924 1.00 1.53 H new ATOM 1051 N MET A 157 4.040 9.030 -4.933 1.00 0.61 N ATOM 1052 CA MET A 157 5.209 8.119 -4.763 1.00 0.69 C ATOM 1053 C MET A 157 4.833 6.690 -5.161 1.00 0.83 C ATOM 1054 O MET A 157 5.684 5.840 -5.335 1.00 1.17 O ATOM 1055 CB MET A 157 5.550 8.190 -3.274 1.00 0.84 C ATOM 1056 CG MET A 157 5.561 9.651 -2.820 1.00 0.92 C ATOM 1057 SD MET A 157 6.588 10.628 -3.947 1.00 1.56 S ATOM 1058 CE MET A 157 8.069 10.695 -2.910 1.00 0.90 C ATOM 0 H MET A 157 3.392 9.057 -4.146 1.00 0.61 H new ATOM 0 HA MET A 157 6.052 8.408 -5.390 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.819 7.624 -2.696 1.00 0.84 H new ATOM 0 HB3 MET A 157 6.523 7.734 -3.091 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.545 10.045 -2.803 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.948 9.724 -1.804 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.846 11.262 -3.422 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.829 11.180 -1.964 1.00 0.90 H new ATOM 0 HE3 MET A 157 8.425 9.683 -2.719 1.00 0.90 H new ATOM 1068 N LYS A 158 3.566 6.419 -5.309 1.00 0.86 N ATOM 1069 CA LYS A 158 3.140 5.044 -5.698 1.00 1.07 C ATOM 1070 C LYS A 158 3.216 4.878 -7.218 1.00 1.36 C ATOM 1071 O LYS A 158 2.214 4.893 -7.905 1.00 1.73 O ATOM 1072 CB LYS A 158 1.694 4.923 -5.218 1.00 1.28 C ATOM 1073 CG LYS A 158 1.164 3.526 -5.545 1.00 1.66 C ATOM 1074 CD LYS A 158 0.979 2.733 -4.250 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.475 2.845 -3.785 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.171 1.690 -4.418 1.00 3.52 N ATOM 0 H LYS A 158 2.808 7.088 -5.178 1.00 0.86 H new ATOM 0 HA LYS A 158 3.778 4.276 -5.261 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.640 5.102 -4.144 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.075 5.680 -5.699 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.215 3.601 -6.076 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.859 3.007 -6.205 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.241 1.687 -4.411 1.00 2.24 H new ATOM 0 HD3 LYS A 158 1.649 3.114 -3.479 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -0.546 2.802 -2.698 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.917 3.791 -4.096 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.175 1.698 -4.146 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -1.092 1.762 -5.453 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.733 0.803 -4.098 1.00 3.52 H new